----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:16:48]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.944218685019366 -6.398914755000000 0.000000000000000 b 3.944218685019366 6.398914755000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): *1 O 0.31064068584508 0.80595864382156 0.61143812194650 15.999 2 O 0.19404135617844 0.68935931415492 0.88856187805350 15.999 3 O 0.68935931415492 0.19404135617844 0.38856187805350 15.999 4 O 0.80595864382156 0.31064068584508 0.11143812194650 15.999 *5 O 0.48416263634127 0.09516827507453 0.89407011843177 15.999 6 O 0.90483172492547 0.51583736365873 0.60592988156823 15.999 7 O 0.51583736365873 0.90483172492547 0.10592988156823 15.999 8 O 0.09516827507453 0.48416263634127 0.39407011843177 15.999 *9 O 0.13744340506921 0.15366795817312 0.91567727041377 15.999 10 O 0.84633204182688 0.86255659493079 0.58432272958623 15.999 11 O 0.86255659493079 0.84633204182688 0.08432272958623 15.999 12 O 0.15366795817312 0.13744340506921 0.41567727041377 15.999 *13 O 0.27271060708711 0.52601309301863 0.05733119405197 15.999 14 O 0.47398690698137 0.72728939291289 0.44266880594803 15.999 15 O 0.72728939291289 0.47398690698137 0.94266880594803 15.999 16 O 0.52601309301863 0.27271060708711 0.55733119405197 15.999 *17 O 0.63584146278093 0.50232706244908 0.40701538469637 15.999 18 O 0.49767293755092 0.36415853721907 0.09298461530363 15.999 19 O 0.36415853721907 0.49767293755092 0.59298461530363 15.999 20 O 0.50232706244908 0.63584146278093 0.90701538469637 15.999 *21 O 0.18137570533064 0.25587757401688 0.17255995755823 15.999 22 O 0.74412242598312 0.81862429466936 0.32744004244177 15.999 23 O 0.81862429466936 0.74412242598312 0.82744004244177 15.999 24 O 0.25587757401688 0.18137570533064 0.67255995755823 15.999 *25 P 0.30495815614153 0.25492147287742 0.55641516536421 30.974 26 P 0.74507852712258 0.69504184385847 0.94358483463579 30.974 27 P 0.69504184385847 0.74507852712258 0.44358483463579 30.974 28 P 0.25492147287742 0.30495815614153 0.05641516536421 30.974 *29 P 0.37551308697059 0.70723685554655 0.98940915096167 30.974 30 P 0.29276314445345 0.62448691302941 0.51059084903833 30.974 31 P 0.62448691302941 0.29276314445345 0.01059084903833 30.974 32 P 0.70723685554655 0.37551308697059 0.48940915096167 30.974 *33 Rb 0.81075638619444 0.18924361380556 0.75000000000000 85.468 34 Rb 0.18924361380556 0.81075638619444 0.25000000000000 85.468 *35 Sm 0.12158067669836 0.87841932330164 0.75000000000000 150.360 36 Sm 0.87841932330164 0.12158067669836 0.25000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.888437370038733 0.000000000000000 0.000000000000000 b 0.000000000000000 12.797829510000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): *1 O 0.55829966483332 0.24765897898824 0.61143812194650 15.999 > 1 2 O 0.44170033516668 0.24765897898824 0.88856187805350 15.999 > 2 3 O 0.44170033516668 0.75234102101176 0.38856187805350 15.999 > 3 4 O 0.55829966483332 0.75234102101176 0.11143812194650 15.999 > 4 *5 O 0.28966545570790 0.80550281936663 0.89407011843177 15.999 > 5 6 O 0.71033454429210 0.80550281936663 0.60592988156823 15.999 > 6 7 O 0.71033454429210 0.19449718063337 0.10592988156823 15.999 > 7 8 O 0.28966545570790 0.19449718063337 0.39407011843177 15.999 > 8 *9 O 0.14555568162117 0.00811227655196 0.91567727041377 15.999 > 9 10 O 0.85444431837883 0.00811227655196 0.58432272958623 15.999 > 10 11 O 0.85444431837883 0.99188772344805 0.08432272958623 15.999 > 11 12 O 0.14555568162117 0.99188772344805 0.41567727041377 15.999 > 12 *13 O 0.39936185005287 0.12665124296576 0.05733119405197 15.999 > 13 14 O 0.60063814994713 0.12665124296576 0.44266880594803 15.999 > 14 15 O 0.60063814994713 0.87334875703424 0.94266880594803 15.999 > 15 16 O 0.39936185005287 0.87334875703424 0.55733119405197 15.999 > 16 *17 O 0.56908426261501 0.93324279983407 0.40701538469637 15.999 > 17 18 O 0.43091573738499 0.93324279983407 0.09298461530363 15.999 > 18 19 O 0.43091573738499 0.06675720016593 0.59298461530363 15.999 > 19 20 O 0.56908426261501 0.06675720016593 0.90701538469637 15.999 > 20 *21 O 0.21862663967376 0.03725093434312 0.17255995755823 15.999 > 21 22 O 0.78137336032624 0.03725093434312 0.32744004244177 15.999 > 22 23 O 0.78137336032624 0.96274906565688 0.82744004244177 15.999 > 23 24 O 0.21862663967376 0.96274906565688 0.67255995755823 15.999 > 24 25 O 0.05829966483332 0.74765897898824 0.61143812194650 15.999 > 1 26 O 0.94170033516668 0.74765897898824 0.88856187805350 15.999 > 2 27 O 0.94170033516668 0.25234102101176 0.38856187805350 15.999 > 3 28 O 0.05829966483332 0.25234102101176 0.11143812194650 15.999 > 4 29 O 0.78966545570790 0.30550281936663 0.89407011843177 15.999 > 5 30 O 0.21033454429210 0.30550281936663 0.60592988156823 15.999 > 6 31 O 0.21033454429210 0.69449718063337 0.10592988156823 15.999 > 7 32 O 0.78966545570790 0.69449718063337 0.39407011843177 15.999 > 8 33 O 0.64555568162117 0.50811227655195 0.91567727041377 15.999 > 9 34 O 0.35444431837883 0.50811227655195 0.58432272958623 15.999 > 10 35 O 0.35444431837883 0.49188772344804 0.08432272958623 15.999 > 11 36 O 0.64555568162117 0.49188772344804 0.41567727041377 15.999 > 12 37 O 0.89936185005287 0.62665124296576 0.05733119405197 15.999 > 13 38 O 0.10063814994713 0.62665124296576 0.44266880594803 15.999 > 14 39 O 0.10063814994713 0.37334875703424 0.94266880594803 15.999 > 15 40 O 0.89936185005287 0.37334875703424 0.55733119405197 15.999 > 16 41 O 0.06908426261501 0.43324279983407 0.40701538469637 15.999 > 17 42 O 0.93091573738499 0.43324279983407 0.09298461530363 15.999 > 18 43 O 0.93091573738499 0.56675720016593 0.59298461530363 15.999 > 19 44 O 0.06908426261501 0.56675720016593 0.90701538469637 15.999 > 20 45 O 0.71862663967376 0.53725093434312 0.17255995755823 15.999 > 21 46 O 0.28137336032624 0.53725093434312 0.32744004244177 15.999 > 22 47 O 0.28137336032624 0.46274906565688 0.82744004244177 15.999 > 23 48 O 0.71862663967376 0.46274906565688 0.67255995755823 15.999 > 24 *49 P 0.27993981450947 0.97498165836795 0.55641516536421 30.974 > 25 50 P 0.72006018549053 0.97498165836795 0.94358483463579 30.974 > 26 51 P 0.72006018549053 0.02501834163206 0.44358483463579 30.974 > 27 52 P 0.27993981450947 0.02501834163206 0.05641516536421 30.974 > 28 *53 P 0.54137497125857 0.16586188428798 0.98940915096167 30.974 > 29 54 P 0.45862502874143 0.16586188428798 0.51059084903833 30.974 > 30 55 P 0.45862502874143 0.83413811571202 0.01059084903833 30.974 > 31 56 P 0.54137497125857 0.83413811571202 0.48940915096167 30.974 > 32 57 P 0.77993981450947 0.47498165836794 0.55641516536421 30.974 > 25 58 P 0.22006018549053 0.47498165836794 0.94358483463579 30.974 > 26 59 P 0.22006018549053 0.52501834163205 0.44358483463579 30.974 > 27 60 P 0.77993981450947 0.52501834163205 0.05641516536421 30.974 > 28 61 P 0.04137497125857 0.66586188428798 0.98940915096167 30.974 > 29 62 P 0.95862502874143 0.66586188428798 0.51059084903833 30.974 > 30 63 P 0.95862502874143 0.33413811571202 0.01059084903833 30.974 > 31 64 P 0.04137497125857 0.33413811571202 0.48940915096167 30.974 > 32 *65 Rb 0.50000000000000 0.68924361380556 0.75000000000000 85.468 > 33 66 Rb 0.50000000000000 0.31075638619444 0.25000000000000 85.468 > 34 67 Rb 0.00000000000000 0.18924361380556 0.75000000000000 85.468 > 33 68 Rb 0.00000000000000 0.81075638619444 0.25000000000000 85.468 > 34 *69 Sm 0.50000000000000 0.37841932330164 0.75000000000000 150.360 > 35 70 Sm 0.50000000000000 0.62158067669836 0.25000000000000 150.360 > 36 71 Sm 0.00000000000000 0.87841932330164 0.75000000000000 150.360 > 35 72 Sm 0.00000000000000 0.12158067669836 0.25000000000000 150.360 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.776874740077465 0.000000000000000 0.000000000000000 b 0.000000000000000 12.797829510000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): *1 O 0.27914983241666 0.24765897898824 0.61143812194650 15.999 > 1 2 O 0.77914983241666 0.24765897898824 0.61143812194650 15.999 > 1 3 O 0.22085016758334 0.24765897898824 0.88856187805350 15.999 > 2 4 O 0.72085016758334 0.24765897898824 0.88856187805350 15.999 > 2 5 O 0.22085016758334 0.75234102101176 0.38856187805350 15.999 > 3 6 O 0.72085016758334 0.75234102101176 0.38856187805350 15.999 > 3 7 O 0.27914983241666 0.75234102101176 0.11143812194650 15.999 > 4 8 O 0.77914983241666 0.75234102101176 0.11143812194650 15.999 > 4 *9 O 0.14483272785395 0.80550281936663 0.89407011843177 15.999 > 5 10 O 0.64483272785395 0.80550281936663 0.89407011843177 15.999 > 5 11 O 0.35516727214605 0.80550281936663 0.60592988156823 15.999 > 6 12 O 0.85516727214605 0.80550281936663 0.60592988156823 15.999 > 6 13 O 0.35516727214605 0.19449718063337 0.10592988156823 15.999 > 7 14 O 0.85516727214605 0.19449718063337 0.10592988156823 15.999 > 7 15 O 0.14483272785395 0.19449718063337 0.39407011843177 15.999 > 8 16 O 0.64483272785395 0.19449718063337 0.39407011843177 15.999 > 8 *17 O 0.07277784081058 0.00811227655196 0.91567727041377 15.999 > 9 18 O 0.57277784081058 0.00811227655196 0.91567727041377 15.999 > 9 19 O 0.42722215918942 0.00811227655196 0.58432272958623 15.999 > 10 20 O 0.92722215918942 0.00811227655196 0.58432272958623 15.999 > 10 21 O 0.42722215918942 0.99188772344805 0.08432272958623 15.999 > 11 22 O 0.92722215918942 0.99188772344805 0.08432272958623 15.999 > 11 23 O 0.07277784081058 0.99188772344805 0.41567727041377 15.999 > 12 24 O 0.57277784081058 0.99188772344805 0.41567727041377 15.999 > 12 *25 O 0.19968092502644 0.12665124296576 0.05733119405197 15.999 > 13 26 O 0.69968092502643 0.12665124296576 0.05733119405197 15.999 > 13 27 O 0.30031907497357 0.12665124296576 0.44266880594803 15.999 > 14 28 O 0.80031907497357 0.12665124296576 0.44266880594803 15.999 > 14 29 O 0.30031907497357 0.87334875703424 0.94266880594803 15.999 > 15 30 O 0.80031907497357 0.87334875703424 0.94266880594803 15.999 > 15 31 O 0.19968092502644 0.87334875703424 0.55733119405197 15.999 > 16 32 O 0.69968092502643 0.87334875703424 0.55733119405197 15.999 > 16 *33 O 0.28454213130750 0.93324279983407 0.40701538469637 15.999 > 17 34 O 0.78454213130750 0.93324279983407 0.40701538469637 15.999 > 17 35 O 0.21545786869250 0.93324279983407 0.09298461530363 15.999 > 18 36 O 0.71545786869250 0.93324279983407 0.09298461530363 15.999 > 18 37 O 0.21545786869250 0.06675720016593 0.59298461530363 15.999 > 19 38 O 0.71545786869250 0.06675720016593 0.59298461530363 15.999 > 19 39 O 0.28454213130750 0.06675720016593 0.90701538469637 15.999 > 20 40 O 0.78454213130750 0.06675720016593 0.90701538469637 15.999 > 20 *41 O 0.10931331983688 0.03725093434312 0.17255995755823 15.999 > 21 42 O 0.60931331983688 0.03725093434312 0.17255995755823 15.999 > 21 43 O 0.39068668016312 0.03725093434312 0.32744004244177 15.999 > 22 44 O 0.89068668016312 0.03725093434312 0.32744004244177 15.999 > 22 45 O 0.39068668016312 0.96274906565688 0.82744004244177 15.999 > 23 46 O 0.89068668016312 0.96274906565688 0.82744004244177 15.999 > 23 47 O 0.10931331983688 0.96274906565688 0.67255995755823 15.999 > 24 48 O 0.60931331983688 0.96274906565688 0.67255995755823 15.999 > 24 49 O 0.02914983241666 0.74765897898824 0.61143812194650 15.999 > 1 50 O 0.52914983241666 0.74765897898824 0.61143812194650 15.999 > 1 51 O 0.47085016758334 0.74765897898824 0.88856187805350 15.999 > 2 52 O 0.97085016758334 0.74765897898824 0.88856187805350 15.999 > 2 53 O 0.47085016758334 0.25234102101176 0.38856187805350 15.999 > 3 54 O 0.97085016758334 0.25234102101176 0.38856187805350 15.999 > 3 55 O 0.02914983241666 0.25234102101176 0.11143812194650 15.999 > 4 56 O 0.52914983241666 0.25234102101176 0.11143812194650 15.999 > 4 57 O 0.39483272785395 0.30550281936663 0.89407011843177 15.999 > 5 58 O 0.89483272785395 0.30550281936663 0.89407011843177 15.999 > 5 59 O 0.10516727214605 0.30550281936663 0.60592988156823 15.999 > 6 60 O 0.60516727214605 0.30550281936663 0.60592988156823 15.999 > 6 61 O 0.10516727214605 0.69449718063337 0.10592988156823 15.999 > 7 62 O 0.60516727214605 0.69449718063337 0.10592988156823 15.999 > 7 63 O 0.39483272785395 0.69449718063337 0.39407011843177 15.999 > 8 64 O 0.89483272785395 0.69449718063337 0.39407011843177 15.999 > 8 65 O 0.32277784081058 0.50811227655195 0.91567727041377 15.999 > 9 66 O 0.82277784081058 0.50811227655195 0.91567727041377 15.999 > 9 67 O 0.17722215918942 0.50811227655195 0.58432272958623 15.999 > 10 68 O 0.67722215918942 0.50811227655195 0.58432272958623 15.999 > 10 69 O 0.17722215918942 0.49188772344804 0.08432272958623 15.999 > 11 70 O 0.67722215918942 0.49188772344804 0.08432272958623 15.999 > 11 71 O 0.32277784081058 0.49188772344804 0.41567727041377 15.999 > 12 72 O 0.82277784081058 0.49188772344804 0.41567727041377 15.999 > 12 73 O 0.44968092502643 0.62665124296576 0.05733119405197 15.999 > 13 74 O 0.94968092502643 0.62665124296576 0.05733119405197 15.999 > 13 75 O 0.05031907497356 0.62665124296576 0.44266880594803 15.999 > 14 76 O 0.55031907497357 0.62665124296576 0.44266880594803 15.999 > 14 77 O 0.05031907497356 0.37334875703424 0.94266880594803 15.999 > 15 78 O 0.55031907497357 0.37334875703424 0.94266880594803 15.999 > 15 79 O 0.44968092502643 0.37334875703424 0.55733119405197 15.999 > 16 80 O 0.94968092502643 0.37334875703424 0.55733119405197 15.999 > 16 81 O 0.03454213130750 0.43324279983407 0.40701538469637 15.999 > 17 82 O 0.53454213130750 0.43324279983407 0.40701538469637 15.999 > 17 83 O 0.46545786869250 0.43324279983407 0.09298461530363 15.999 > 18 84 O 0.96545786869250 0.43324279983407 0.09298461530363 15.999 > 18 85 O 0.46545786869250 0.56675720016593 0.59298461530363 15.999 > 19 86 O 0.96545786869250 0.56675720016593 0.59298461530363 15.999 > 19 87 O 0.03454213130750 0.56675720016593 0.90701538469637 15.999 > 20 88 O 0.53454213130750 0.56675720016593 0.90701538469637 15.999 > 20 89 O 0.35931331983688 0.53725093434312 0.17255995755823 15.999 > 21 90 O 0.85931331983688 0.53725093434312 0.17255995755823 15.999 > 21 91 O 0.14068668016312 0.53725093434312 0.32744004244177 15.999 > 22 92 O 0.64068668016312 0.53725093434312 0.32744004244177 15.999 > 22 93 O 0.14068668016312 0.46274906565688 0.82744004244177 15.999 > 23 94 O 0.64068668016312 0.46274906565688 0.82744004244177 15.999 > 23 95 O 0.35931331983688 0.46274906565688 0.67255995755823 15.999 > 24 96 O 0.85931331983688 0.46274906565688 0.67255995755823 15.999 > 24 *97 P 0.13996990725474 0.97498165836795 0.55641516536421 30.974 > 25 98 P 0.63996990725474 0.97498165836795 0.55641516536421 30.974 > 25 99 P 0.36003009274526 0.97498165836795 0.94358483463579 30.974 > 26 100 P 0.86003009274526 0.97498165836795 0.94358483463579 30.974 > 26 101 P 0.36003009274526 0.02501834163206 0.44358483463579 30.974 > 27 102 P 0.86003009274526 0.02501834163206 0.44358483463579 30.974 > 27 103 P 0.13996990725474 0.02501834163206 0.05641516536421 30.974 > 28 104 P 0.63996990725474 0.02501834163206 0.05641516536421 30.974 > 28 *105 P 0.27068748562929 0.16586188428798 0.98940915096167 30.974 > 29 106 P 0.77068748562929 0.16586188428798 0.98940915096167 30.974 > 29 107 P 0.22931251437072 0.16586188428798 0.51059084903833 30.974 > 30 108 P 0.72931251437071 0.16586188428798 0.51059084903833 30.974 > 30 109 P 0.22931251437072 0.83413811571202 0.01059084903833 30.974 > 31 110 P 0.72931251437071 0.83413811571202 0.01059084903833 30.974 > 31 111 P 0.27068748562929 0.83413811571202 0.48940915096167 30.974 > 32 112 P 0.77068748562929 0.83413811571202 0.48940915096167 30.974 > 32 113 P 0.38996990725474 0.47498165836794 0.55641516536421 30.974 > 25 114 P 0.88996990725474 0.47498165836794 0.55641516536421 30.974 > 25 115 P 0.11003009274526 0.47498165836794 0.94358483463579 30.974 > 26 116 P 0.61003009274526 0.47498165836794 0.94358483463579 30.974 > 26 117 P 0.11003009274526 0.52501834163205 0.44358483463579 30.974 > 27 118 P 0.61003009274526 0.52501834163205 0.44358483463579 30.974 > 27 119 P 0.38996990725474 0.52501834163205 0.05641516536421 30.974 > 28 120 P 0.88996990725474 0.52501834163205 0.05641516536421 30.974 > 28 121 P 0.02068748562929 0.66586188428798 0.98940915096167 30.974 > 29 122 P 0.52068748562929 0.66586188428798 0.98940915096167 30.974 > 29 123 P 0.47931251437071 0.66586188428798 0.51059084903833 30.974 > 30 124 P 0.97931251437071 0.66586188428798 0.51059084903833 30.974 > 30 125 P 0.47931251437071 0.33413811571202 0.01059084903833 30.974 > 31 126 P 0.97931251437071 0.33413811571202 0.01059084903833 30.974 > 31 127 P 0.02068748562929 0.33413811571202 0.48940915096167 30.974 > 32 128 P 0.52068748562929 0.33413811571202 0.48940915096167 30.974 > 32 *129 Rb 0.25000000000000 0.68924361380556 0.75000000000000 85.468 > 33 130 Rb 0.75000000000000 0.68924361380556 0.75000000000000 85.468 > 33 131 Rb 0.25000000000000 0.31075638619444 0.25000000000000 85.468 > 34 132 Rb 0.75000000000000 0.31075638619444 0.25000000000000 85.468 > 34 133 Rb 0.00000000000000 0.18924361380556 0.75000000000000 85.468 > 33 134 Rb 0.50000000000000 0.18924361380556 0.75000000000000 85.468 > 33 135 Rb 0.00000000000000 0.81075638619444 0.25000000000000 85.468 > 34 136 Rb 0.50000000000000 0.81075638619444 0.25000000000000 85.468 > 34 *137 Sm 0.25000000000000 0.37841932330164 0.75000000000000 150.360 > 35 138 Sm 0.75000000000000 0.37841932330164 0.75000000000000 150.360 > 35 139 Sm 0.25000000000000 0.62158067669836 0.25000000000000 150.360 > 36 140 Sm 0.75000000000000 0.62158067669836 0.25000000000000 150.360 > 36 141 Sm 0.00000000000000 0.87841932330164 0.75000000000000 150.360 > 35 142 Sm 0.50000000000000 0.87841932330164 0.75000000000000 150.360 > 35 143 Sm 0.00000000000000 0.12158067669836 0.25000000000000 150.360 > 36 144 Sm 0.50000000000000 0.12158067669836 0.25000000000000 150.360 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7440636 0.0000000 -0.0002213 0.0000000 2.7292762 0.0000000 -0.0002198 0.0000000 2.7285927 -------------------------- Born effective charges -------------------------- 1 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 2 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 3 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 4 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 5 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 6 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 7 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 8 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 9 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 10 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 11 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 12 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 13 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 14 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 15 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 16 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 17 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 18 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 19 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 20 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 21 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 22 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 23 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 24 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 25 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 26 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 27 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 28 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 29 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 30 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 31 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 32 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 33 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 34 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 35 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 36 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 293 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 272), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 272), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 28), data: (1304, 47) @ (47, 28) |-- (304, 293), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 231), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 3.527 Solver_block: 200 / 1120 - Time: 2.837 Solver_block: 300 / 1120 - Time: 2.836 Solver_block: 400 / 1120 - Time: 2.759 Solver_block: 500 / 1120 - Time: 2.779 Solver_block: 600 / 1120 - Time: 2.625 Solver_block: 700 / 1120 - Time: 2.791 Solver_block: 800 / 1120 - Time: 2.424 Solver_block: 900 / 1120 - Time: 3.106 Solver_block: 1000 / 1120 - Time: 2.207 Solver_block: 1100 / 1120 - Time: 2.208 Solver_block: 1120 / 1120 - Time: 0.685 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 32.371 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5998 Number of blocks in projector: 5998 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 293 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1288 Use submatrix version of eigh solver. (1) Block: 500 / 1288 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1288 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 1288 / 1288 (1) 272 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5998, 5917), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 272), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1288, 1272), data: False |-- (1288, 28), data: (1288, 44) @ (44, 28) |-- (288, 272), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1304, 1285), data: False |-- (1304, 28), data: (1304, 47) @ (47, 28) |-- (304, 293), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 231), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 04:18:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.944218685019366 -6.398914755000000 0.000000000000000 b 3.944218685019366 6.398914755000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): 1 O 0.31064068584508 0.80595864382156 0.61143812194650 15.999 2 O 0.19404135617844 0.68935931415492 0.88856187805350 15.999 3 O 0.68935931415492 0.19404135617844 0.38856187805350 15.999 4 O 0.80595864382156 0.31064068584508 0.11143812194650 15.999 5 O 0.48416263634127 0.09516827507453 0.89407011843177 15.999 6 O 0.90483172492547 0.51583736365873 0.60592988156823 15.999 7 O 0.51583736365873 0.90483172492547 0.10592988156823 15.999 8 O 0.09516827507453 0.48416263634127 0.39407011843177 15.999 9 O 0.13744340506921 0.15366795817312 0.91567727041377 15.999 10 O 0.84633204182688 0.86255659493079 0.58432272958623 15.999 11 O 0.86255659493079 0.84633204182688 0.08432272958623 15.999 12 O 0.15366795817312 0.13744340506921 0.41567727041377 15.999 13 O 0.27271060708711 0.52601309301863 0.05733119405197 15.999 14 O 0.47398690698137 0.72728939291289 0.44266880594803 15.999 15 O 0.72728939291289 0.47398690698137 0.94266880594803 15.999 16 O 0.52601309301863 0.27271060708711 0.55733119405197 15.999 17 O 0.63584146278093 0.50232706244908 0.40701538469637 15.999 18 O 0.49767293755092 0.36415853721907 0.09298461530363 15.999 19 O 0.36415853721907 0.49767293755092 0.59298461530363 15.999 20 O 0.50232706244908 0.63584146278093 0.90701538469637 15.999 21 O 0.18137570533064 0.25587757401688 0.17255995755823 15.999 22 O 0.74412242598312 0.81862429466936 0.32744004244177 15.999 23 O 0.81862429466936 0.74412242598312 0.82744004244177 15.999 24 O 0.25587757401688 0.18137570533064 0.67255995755823 15.999 25 P 0.30495815614153 0.25492147287742 0.55641516536421 30.974 26 P 0.74507852712258 0.69504184385847 0.94358483463579 30.974 27 P 0.69504184385847 0.74507852712258 0.44358483463579 30.974 28 P 0.25492147287742 0.30495815614153 0.05641516536421 30.974 29 P 0.37551308697059 0.70723685554655 0.98940915096167 30.974 30 P 0.29276314445345 0.62448691302941 0.51059084903833 30.974 31 P 0.62448691302941 0.29276314445345 0.01059084903833 30.974 32 P 0.70723685554655 0.37551308697059 0.48940915096167 30.974 33 Rb 0.81075638619444 0.18924361380556 0.75000000000000 85.468 34 Rb 0.18924361380556 0.81075638619444 0.25000000000000 85.468 35 Sm 0.12158067669836 0.87841932330164 0.75000000000000 150.360 36 Sm 0.87841932330164 0.12158067669836 0.25000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.776874740077465 0.000000000000000 0.000000000000000 b 0.000000000000000 12.797829510000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): 1 O 0.27914983241666 0.24765897898824 0.61143812194650 15.999 > 1 2 O 0.77914983241666 0.24765897898824 0.61143812194650 15.999 > 1 3 O 0.22085016758334 0.24765897898824 0.88856187805350 15.999 > 3 4 O 0.72085016758334 0.24765897898824 0.88856187805350 15.999 > 3 5 O 0.22085016758334 0.75234102101176 0.38856187805350 15.999 > 5 6 O 0.72085016758334 0.75234102101176 0.38856187805350 15.999 > 5 7 O 0.27914983241666 0.75234102101176 0.11143812194650 15.999 > 7 8 O 0.77914983241666 0.75234102101176 0.11143812194650 15.999 > 7 9 O 0.14483272785395 0.80550281936663 0.89407011843177 15.999 > 9 10 O 0.64483272785395 0.80550281936663 0.89407011843177 15.999 > 9 11 O 0.35516727214605 0.80550281936663 0.60592988156823 15.999 > 11 12 O 0.85516727214605 0.80550281936663 0.60592988156823 15.999 > 11 13 O 0.35516727214605 0.19449718063337 0.10592988156823 15.999 > 13 14 O 0.85516727214605 0.19449718063337 0.10592988156823 15.999 > 13 15 O 0.14483272785395 0.19449718063337 0.39407011843177 15.999 > 15 16 O 0.64483272785395 0.19449718063337 0.39407011843177 15.999 > 15 17 O 0.07277784081058 0.00811227655196 0.91567727041377 15.999 > 17 18 O 0.57277784081058 0.00811227655196 0.91567727041377 15.999 > 17 19 O 0.42722215918942 0.00811227655196 0.58432272958623 15.999 > 19 20 O 0.92722215918942 0.00811227655196 0.58432272958623 15.999 > 19 21 O 0.42722215918942 0.99188772344805 0.08432272958623 15.999 > 21 22 O 0.92722215918942 0.99188772344805 0.08432272958623 15.999 > 21 23 O 0.07277784081058 0.99188772344805 0.41567727041377 15.999 > 23 24 O 0.57277784081058 0.99188772344805 0.41567727041377 15.999 > 23 25 O 0.19968092502644 0.12665124296576 0.05733119405197 15.999 > 25 26 O 0.69968092502643 0.12665124296576 0.05733119405197 15.999 > 25 27 O 0.30031907497357 0.12665124296576 0.44266880594803 15.999 > 27 28 O 0.80031907497357 0.12665124296576 0.44266880594803 15.999 > 27 29 O 0.30031907497357 0.87334875703424 0.94266880594803 15.999 > 29 30 O 0.80031907497357 0.87334875703424 0.94266880594803 15.999 > 29 31 O 0.19968092502644 0.87334875703424 0.55733119405197 15.999 > 31 32 O 0.69968092502643 0.87334875703424 0.55733119405197 15.999 > 31 33 O 0.28454213130750 0.93324279983407 0.40701538469637 15.999 > 33 34 O 0.78454213130750 0.93324279983407 0.40701538469637 15.999 > 33 35 O 0.21545786869250 0.93324279983407 0.09298461530363 15.999 > 35 36 O 0.71545786869250 0.93324279983407 0.09298461530363 15.999 > 35 37 O 0.21545786869250 0.06675720016593 0.59298461530363 15.999 > 37 38 O 0.71545786869250 0.06675720016593 0.59298461530363 15.999 > 37 39 O 0.28454213130750 0.06675720016593 0.90701538469637 15.999 > 39 40 O 0.78454213130750 0.06675720016593 0.90701538469637 15.999 > 39 41 O 0.10931331983688 0.03725093434312 0.17255995755823 15.999 > 41 42 O 0.60931331983688 0.03725093434312 0.17255995755823 15.999 > 41 43 O 0.39068668016312 0.03725093434312 0.32744004244177 15.999 > 43 44 O 0.89068668016312 0.03725093434312 0.32744004244177 15.999 > 43 45 O 0.39068668016312 0.96274906565688 0.82744004244177 15.999 > 45 46 O 0.89068668016312 0.96274906565688 0.82744004244177 15.999 > 45 47 O 0.10931331983688 0.96274906565688 0.67255995755823 15.999 > 47 48 O 0.60931331983688 0.96274906565688 0.67255995755823 15.999 > 47 49 O 0.02914983241666 0.74765897898824 0.61143812194650 15.999 > 1 50 O 0.52914983241666 0.74765897898824 0.61143812194650 15.999 > 1 51 O 0.47085016758334 0.74765897898824 0.88856187805350 15.999 > 3 52 O 0.97085016758334 0.74765897898824 0.88856187805350 15.999 > 3 53 O 0.47085016758334 0.25234102101176 0.38856187805350 15.999 > 5 54 O 0.97085016758334 0.25234102101176 0.38856187805350 15.999 > 5 55 O 0.02914983241666 0.25234102101176 0.11143812194650 15.999 > 7 56 O 0.52914983241666 0.25234102101176 0.11143812194650 15.999 > 7 57 O 0.39483272785395 0.30550281936663 0.89407011843177 15.999 > 9 58 O 0.89483272785395 0.30550281936663 0.89407011843177 15.999 > 9 59 O 0.10516727214605 0.30550281936663 0.60592988156823 15.999 > 11 60 O 0.60516727214605 0.30550281936663 0.60592988156823 15.999 > 11 61 O 0.10516727214605 0.69449718063337 0.10592988156823 15.999 > 13 62 O 0.60516727214605 0.69449718063337 0.10592988156823 15.999 > 13 63 O 0.39483272785395 0.69449718063337 0.39407011843177 15.999 > 15 64 O 0.89483272785395 0.69449718063337 0.39407011843177 15.999 > 15 65 O 0.32277784081058 0.50811227655195 0.91567727041377 15.999 > 17 66 O 0.82277784081058 0.50811227655195 0.91567727041377 15.999 > 17 67 O 0.17722215918942 0.50811227655195 0.58432272958623 15.999 > 19 68 O 0.67722215918942 0.50811227655195 0.58432272958623 15.999 > 19 69 O 0.17722215918942 0.49188772344804 0.08432272958623 15.999 > 21 70 O 0.67722215918942 0.49188772344804 0.08432272958623 15.999 > 21 71 O 0.32277784081058 0.49188772344804 0.41567727041377 15.999 > 23 72 O 0.82277784081058 0.49188772344804 0.41567727041377 15.999 > 23 73 O 0.44968092502643 0.62665124296576 0.05733119405197 15.999 > 25 74 O 0.94968092502643 0.62665124296576 0.05733119405197 15.999 > 25 75 O 0.05031907497356 0.62665124296576 0.44266880594803 15.999 > 27 76 O 0.55031907497357 0.62665124296576 0.44266880594803 15.999 > 27 77 O 0.05031907497356 0.37334875703424 0.94266880594803 15.999 > 29 78 O 0.55031907497357 0.37334875703424 0.94266880594803 15.999 > 29 79 O 0.44968092502643 0.37334875703424 0.55733119405197 15.999 > 31 80 O 0.94968092502643 0.37334875703424 0.55733119405197 15.999 > 31 81 O 0.03454213130750 0.43324279983407 0.40701538469637 15.999 > 33 82 O 0.53454213130750 0.43324279983407 0.40701538469637 15.999 > 33 83 O 0.46545786869250 0.43324279983407 0.09298461530363 15.999 > 35 84 O 0.96545786869250 0.43324279983407 0.09298461530363 15.999 > 35 85 O 0.46545786869250 0.56675720016593 0.59298461530363 15.999 > 37 86 O 0.96545786869250 0.56675720016593 0.59298461530363 15.999 > 37 87 O 0.03454213130750 0.56675720016593 0.90701538469637 15.999 > 39 88 O 0.53454213130750 0.56675720016593 0.90701538469637 15.999 > 39 89 O 0.35931331983688 0.53725093434312 0.17255995755823 15.999 > 41 90 O 0.85931331983688 0.53725093434312 0.17255995755823 15.999 > 41 91 O 0.14068668016312 0.53725093434312 0.32744004244177 15.999 > 43 92 O 0.64068668016312 0.53725093434312 0.32744004244177 15.999 > 43 93 O 0.14068668016312 0.46274906565688 0.82744004244177 15.999 > 45 94 O 0.64068668016312 0.46274906565688 0.82744004244177 15.999 > 45 95 O 0.35931331983688 0.46274906565688 0.67255995755823 15.999 > 47 96 O 0.85931331983688 0.46274906565688 0.67255995755823 15.999 > 47 97 P 0.13996990725474 0.97498165836795 0.55641516536421 30.974 > 97 98 P 0.63996990725474 0.97498165836795 0.55641516536421 30.974 > 97 99 P 0.36003009274526 0.97498165836795 0.94358483463579 30.974 > 99 100 P 0.86003009274526 0.97498165836795 0.94358483463579 30.974 > 99 101 P 0.36003009274526 0.02501834163206 0.44358483463579 30.974 > 101 102 P 0.86003009274526 0.02501834163206 0.44358483463579 30.974 > 101 103 P 0.13996990725474 0.02501834163206 0.05641516536421 30.974 > 103 104 P 0.63996990725474 0.02501834163206 0.05641516536421 30.974 > 103 105 P 0.27068748562929 0.16586188428798 0.98940915096167 30.974 > 105 106 P 0.77068748562929 0.16586188428798 0.98940915096167 30.974 > 105 107 P 0.22931251437072 0.16586188428798 0.51059084903833 30.974 > 107 108 P 0.72931251437071 0.16586188428798 0.51059084903833 30.974 > 107 109 P 0.22931251437072 0.83413811571202 0.01059084903833 30.974 > 109 110 P 0.72931251437071 0.83413811571202 0.01059084903833 30.974 > 109 111 P 0.27068748562929 0.83413811571202 0.48940915096167 30.974 > 111 112 P 0.77068748562929 0.83413811571202 0.48940915096167 30.974 > 111 113 P 0.38996990725474 0.47498165836794 0.55641516536421 30.974 > 97 114 P 0.88996990725474 0.47498165836794 0.55641516536421 30.974 > 97 115 P 0.11003009274526 0.47498165836794 0.94358483463579 30.974 > 99 116 P 0.61003009274526 0.47498165836794 0.94358483463579 30.974 > 99 117 P 0.11003009274526 0.52501834163205 0.44358483463579 30.974 > 101 118 P 0.61003009274526 0.52501834163205 0.44358483463579 30.974 > 101 119 P 0.38996990725474 0.52501834163205 0.05641516536421 30.974 > 103 120 P 0.88996990725474 0.52501834163205 0.05641516536421 30.974 > 103 121 P 0.02068748562929 0.66586188428798 0.98940915096167 30.974 > 105 122 P 0.52068748562929 0.66586188428798 0.98940915096167 30.974 > 105 123 P 0.47931251437071 0.66586188428798 0.51059084903833 30.974 > 107 124 P 0.97931251437071 0.66586188428798 0.51059084903833 30.974 > 107 125 P 0.47931251437071 0.33413811571202 0.01059084903833 30.974 > 109 126 P 0.97931251437071 0.33413811571202 0.01059084903833 30.974 > 109 127 P 0.02068748562929 0.33413811571202 0.48940915096167 30.974 > 111 128 P 0.52068748562929 0.33413811571202 0.48940915096167 30.974 > 111 129 Rb 0.25000000000000 0.68924361380556 0.75000000000000 85.468 > 129 130 Rb 0.75000000000000 0.68924361380556 0.75000000000000 85.468 > 129 131 Rb 0.25000000000000 0.31075638619444 0.25000000000000 85.468 > 131 132 Rb 0.75000000000000 0.31075638619444 0.25000000000000 85.468 > 131 133 Rb 0.00000000000000 0.18924361380556 0.75000000000000 85.468 > 129 134 Rb 0.50000000000000 0.18924361380556 0.75000000000000 85.468 > 129 135 Rb 0.00000000000000 0.81075638619444 0.25000000000000 85.468 > 131 136 Rb 0.50000000000000 0.81075638619444 0.25000000000000 85.468 > 131 137 Sm 0.25000000000000 0.37841932330164 0.75000000000000 150.360 > 137 138 Sm 0.75000000000000 0.37841932330164 0.75000000000000 150.360 > 137 139 Sm 0.25000000000000 0.62158067669836 0.25000000000000 150.360 > 139 140 Sm 0.75000000000000 0.62158067669836 0.25000000000000 150.360 > 139 141 Sm 0.00000000000000 0.87841932330164 0.75000000000000 150.360 > 137 142 Sm 0.50000000000000 0.87841932330164 0.75000000000000 150.360 > 137 143 Sm 0.00000000000000 0.12158067669836 0.25000000000000 150.360 > 139 144 Sm 0.50000000000000 0.12158067669836 0.25000000000000 150.360 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7440636 0.0000000 -0.0002213 0.0000000 2.7292762 0.0000000 -0.0002198 0.0000000 2.7285927 -------------------------- Born effective charges -------------------------- 1 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 2 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 3 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 4 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 5 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 6 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 7 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 8 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 9 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 10 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 11 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 12 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 13 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 14 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 15 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 16 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 17 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 18 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 19 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 20 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 21 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 22 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 23 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 24 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 25 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 26 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 27 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 28 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 29 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 30 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 31 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 32 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 33 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 34 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 35 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 36 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 9, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 41, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 105, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 129, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 137, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:19:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:19:59]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.944218685019366 -6.398914755000000 0.000000000000000 b 3.944218685019366 6.398914755000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): 1 O 0.31064068584508 0.80595864382156 0.61143812194650 15.999 2 O 0.19404135617844 0.68935931415492 0.88856187805350 15.999 3 O 0.68935931415492 0.19404135617844 0.38856187805350 15.999 4 O 0.80595864382156 0.31064068584508 0.11143812194650 15.999 5 O 0.48416263634127 0.09516827507453 0.89407011843177 15.999 6 O 0.90483172492547 0.51583736365873 0.60592988156823 15.999 7 O 0.51583736365873 0.90483172492547 0.10592988156823 15.999 8 O 0.09516827507453 0.48416263634127 0.39407011843177 15.999 9 O 0.13744340506921 0.15366795817312 0.91567727041377 15.999 10 O 0.84633204182688 0.86255659493079 0.58432272958623 15.999 11 O 0.86255659493079 0.84633204182688 0.08432272958623 15.999 12 O 0.15366795817312 0.13744340506921 0.41567727041377 15.999 13 O 0.27271060708711 0.52601309301863 0.05733119405197 15.999 14 O 0.47398690698137 0.72728939291289 0.44266880594803 15.999 15 O 0.72728939291289 0.47398690698137 0.94266880594803 15.999 16 O 0.52601309301863 0.27271060708711 0.55733119405197 15.999 17 O 0.63584146278093 0.50232706244908 0.40701538469637 15.999 18 O 0.49767293755092 0.36415853721907 0.09298461530363 15.999 19 O 0.36415853721907 0.49767293755092 0.59298461530363 15.999 20 O 0.50232706244908 0.63584146278093 0.90701538469637 15.999 21 O 0.18137570533064 0.25587757401688 0.17255995755823 15.999 22 O 0.74412242598312 0.81862429466936 0.32744004244177 15.999 23 O 0.81862429466936 0.74412242598312 0.82744004244177 15.999 24 O 0.25587757401688 0.18137570533064 0.67255995755823 15.999 25 P 0.30495815614153 0.25492147287742 0.55641516536421 30.974 26 P 0.74507852712258 0.69504184385847 0.94358483463579 30.974 27 P 0.69504184385847 0.74507852712258 0.44358483463579 30.974 28 P 0.25492147287742 0.30495815614153 0.05641516536421 30.974 29 P 0.37551308697059 0.70723685554655 0.98940915096167 30.974 30 P 0.29276314445345 0.62448691302941 0.51059084903833 30.974 31 P 0.62448691302941 0.29276314445345 0.01059084903833 30.974 32 P 0.70723685554655 0.37551308697059 0.48940915096167 30.974 33 Rb 0.81075638619444 0.18924361380556 0.75000000000000 85.468 34 Rb 0.18924361380556 0.81075638619444 0.25000000000000 85.468 35 Sm 0.12158067669836 0.87841932330164 0.75000000000000 150.360 36 Sm 0.87841932330164 0.12158067669836 0.25000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.776874740077465 0.000000000000000 0.000000000000000 b 0.000000000000000 12.797829510000000 0.000000000000000 c -3.860177264284322 0.000000000000000 9.881054533409158 Atomic positions (fractional): 1 O 0.27914983241666 0.24765897898824 0.61143812194650 15.999 > 1 2 O 0.77914983241666 0.24765897898824 0.61143812194650 15.999 > 1 3 O 0.22085016758334 0.24765897898824 0.88856187805350 15.999 > 3 4 O 0.72085016758334 0.24765897898824 0.88856187805350 15.999 > 3 5 O 0.22085016758334 0.75234102101176 0.38856187805350 15.999 > 5 6 O 0.72085016758334 0.75234102101176 0.38856187805350 15.999 > 5 7 O 0.27914983241666 0.75234102101176 0.11143812194650 15.999 > 7 8 O 0.77914983241666 0.75234102101176 0.11143812194650 15.999 > 7 9 O 0.14483272785395 0.80550281936663 0.89407011843177 15.999 > 9 10 O 0.64483272785395 0.80550281936663 0.89407011843177 15.999 > 9 11 O 0.35516727214605 0.80550281936663 0.60592988156823 15.999 > 11 12 O 0.85516727214605 0.80550281936663 0.60592988156823 15.999 > 11 13 O 0.35516727214605 0.19449718063337 0.10592988156823 15.999 > 13 14 O 0.85516727214605 0.19449718063337 0.10592988156823 15.999 > 13 15 O 0.14483272785395 0.19449718063337 0.39407011843177 15.999 > 15 16 O 0.64483272785395 0.19449718063337 0.39407011843177 15.999 > 15 17 O 0.07277784081058 0.00811227655196 0.91567727041377 15.999 > 17 18 O 0.57277784081058 0.00811227655196 0.91567727041377 15.999 > 17 19 O 0.42722215918942 0.00811227655196 0.58432272958623 15.999 > 19 20 O 0.92722215918942 0.00811227655196 0.58432272958623 15.999 > 19 21 O 0.42722215918942 0.99188772344805 0.08432272958623 15.999 > 21 22 O 0.92722215918942 0.99188772344805 0.08432272958623 15.999 > 21 23 O 0.07277784081058 0.99188772344805 0.41567727041377 15.999 > 23 24 O 0.57277784081058 0.99188772344805 0.41567727041377 15.999 > 23 25 O 0.19968092502644 0.12665124296576 0.05733119405197 15.999 > 25 26 O 0.69968092502643 0.12665124296576 0.05733119405197 15.999 > 25 27 O 0.30031907497357 0.12665124296576 0.44266880594803 15.999 > 27 28 O 0.80031907497357 0.12665124296576 0.44266880594803 15.999 > 27 29 O 0.30031907497357 0.87334875703424 0.94266880594803 15.999 > 29 30 O 0.80031907497357 0.87334875703424 0.94266880594803 15.999 > 29 31 O 0.19968092502644 0.87334875703424 0.55733119405197 15.999 > 31 32 O 0.69968092502643 0.87334875703424 0.55733119405197 15.999 > 31 33 O 0.28454213130750 0.93324279983407 0.40701538469637 15.999 > 33 34 O 0.78454213130750 0.93324279983407 0.40701538469637 15.999 > 33 35 O 0.21545786869250 0.93324279983407 0.09298461530363 15.999 > 35 36 O 0.71545786869250 0.93324279983407 0.09298461530363 15.999 > 35 37 O 0.21545786869250 0.06675720016593 0.59298461530363 15.999 > 37 38 O 0.71545786869250 0.06675720016593 0.59298461530363 15.999 > 37 39 O 0.28454213130750 0.06675720016593 0.90701538469637 15.999 > 39 40 O 0.78454213130750 0.06675720016593 0.90701538469637 15.999 > 39 41 O 0.10931331983688 0.03725093434312 0.17255995755823 15.999 > 41 42 O 0.60931331983688 0.03725093434312 0.17255995755823 15.999 > 41 43 O 0.39068668016312 0.03725093434312 0.32744004244177 15.999 > 43 44 O 0.89068668016312 0.03725093434312 0.32744004244177 15.999 > 43 45 O 0.39068668016312 0.96274906565688 0.82744004244177 15.999 > 45 46 O 0.89068668016312 0.96274906565688 0.82744004244177 15.999 > 45 47 O 0.10931331983688 0.96274906565688 0.67255995755823 15.999 > 47 48 O 0.60931331983688 0.96274906565688 0.67255995755823 15.999 > 47 49 O 0.02914983241666 0.74765897898824 0.61143812194650 15.999 > 1 50 O 0.52914983241666 0.74765897898824 0.61143812194650 15.999 > 1 51 O 0.47085016758334 0.74765897898824 0.88856187805350 15.999 > 3 52 O 0.97085016758334 0.74765897898824 0.88856187805350 15.999 > 3 53 O 0.47085016758334 0.25234102101176 0.38856187805350 15.999 > 5 54 O 0.97085016758334 0.25234102101176 0.38856187805350 15.999 > 5 55 O 0.02914983241666 0.25234102101176 0.11143812194650 15.999 > 7 56 O 0.52914983241666 0.25234102101176 0.11143812194650 15.999 > 7 57 O 0.39483272785395 0.30550281936663 0.89407011843177 15.999 > 9 58 O 0.89483272785395 0.30550281936663 0.89407011843177 15.999 > 9 59 O 0.10516727214605 0.30550281936663 0.60592988156823 15.999 > 11 60 O 0.60516727214605 0.30550281936663 0.60592988156823 15.999 > 11 61 O 0.10516727214605 0.69449718063337 0.10592988156823 15.999 > 13 62 O 0.60516727214605 0.69449718063337 0.10592988156823 15.999 > 13 63 O 0.39483272785395 0.69449718063337 0.39407011843177 15.999 > 15 64 O 0.89483272785395 0.69449718063337 0.39407011843177 15.999 > 15 65 O 0.32277784081058 0.50811227655195 0.91567727041377 15.999 > 17 66 O 0.82277784081058 0.50811227655195 0.91567727041377 15.999 > 17 67 O 0.17722215918942 0.50811227655195 0.58432272958623 15.999 > 19 68 O 0.67722215918942 0.50811227655195 0.58432272958623 15.999 > 19 69 O 0.17722215918942 0.49188772344804 0.08432272958623 15.999 > 21 70 O 0.67722215918942 0.49188772344804 0.08432272958623 15.999 > 21 71 O 0.32277784081058 0.49188772344804 0.41567727041377 15.999 > 23 72 O 0.82277784081058 0.49188772344804 0.41567727041377 15.999 > 23 73 O 0.44968092502643 0.62665124296576 0.05733119405197 15.999 > 25 74 O 0.94968092502643 0.62665124296576 0.05733119405197 15.999 > 25 75 O 0.05031907497356 0.62665124296576 0.44266880594803 15.999 > 27 76 O 0.55031907497357 0.62665124296576 0.44266880594803 15.999 > 27 77 O 0.05031907497356 0.37334875703424 0.94266880594803 15.999 > 29 78 O 0.55031907497357 0.37334875703424 0.94266880594803 15.999 > 29 79 O 0.44968092502643 0.37334875703424 0.55733119405197 15.999 > 31 80 O 0.94968092502643 0.37334875703424 0.55733119405197 15.999 > 31 81 O 0.03454213130750 0.43324279983407 0.40701538469637 15.999 > 33 82 O 0.53454213130750 0.43324279983407 0.40701538469637 15.999 > 33 83 O 0.46545786869250 0.43324279983407 0.09298461530363 15.999 > 35 84 O 0.96545786869250 0.43324279983407 0.09298461530363 15.999 > 35 85 O 0.46545786869250 0.56675720016593 0.59298461530363 15.999 > 37 86 O 0.96545786869250 0.56675720016593 0.59298461530363 15.999 > 37 87 O 0.03454213130750 0.56675720016593 0.90701538469637 15.999 > 39 88 O 0.53454213130750 0.56675720016593 0.90701538469637 15.999 > 39 89 O 0.35931331983688 0.53725093434312 0.17255995755823 15.999 > 41 90 O 0.85931331983688 0.53725093434312 0.17255995755823 15.999 > 41 91 O 0.14068668016312 0.53725093434312 0.32744004244177 15.999 > 43 92 O 0.64068668016312 0.53725093434312 0.32744004244177 15.999 > 43 93 O 0.14068668016312 0.46274906565688 0.82744004244177 15.999 > 45 94 O 0.64068668016312 0.46274906565688 0.82744004244177 15.999 > 45 95 O 0.35931331983688 0.46274906565688 0.67255995755823 15.999 > 47 96 O 0.85931331983688 0.46274906565688 0.67255995755823 15.999 > 47 97 P 0.13996990725474 0.97498165836795 0.55641516536421 30.974 > 97 98 P 0.63996990725474 0.97498165836795 0.55641516536421 30.974 > 97 99 P 0.36003009274526 0.97498165836795 0.94358483463579 30.974 > 99 100 P 0.86003009274526 0.97498165836795 0.94358483463579 30.974 > 99 101 P 0.36003009274526 0.02501834163206 0.44358483463579 30.974 > 101 102 P 0.86003009274526 0.02501834163206 0.44358483463579 30.974 > 101 103 P 0.13996990725474 0.02501834163206 0.05641516536421 30.974 > 103 104 P 0.63996990725474 0.02501834163206 0.05641516536421 30.974 > 103 105 P 0.27068748562929 0.16586188428798 0.98940915096167 30.974 > 105 106 P 0.77068748562929 0.16586188428798 0.98940915096167 30.974 > 105 107 P 0.22931251437072 0.16586188428798 0.51059084903833 30.974 > 107 108 P 0.72931251437071 0.16586188428798 0.51059084903833 30.974 > 107 109 P 0.22931251437072 0.83413811571202 0.01059084903833 30.974 > 109 110 P 0.72931251437071 0.83413811571202 0.01059084903833 30.974 > 109 111 P 0.27068748562929 0.83413811571202 0.48940915096167 30.974 > 111 112 P 0.77068748562929 0.83413811571202 0.48940915096167 30.974 > 111 113 P 0.38996990725474 0.47498165836794 0.55641516536421 30.974 > 97 114 P 0.88996990725474 0.47498165836794 0.55641516536421 30.974 > 97 115 P 0.11003009274526 0.47498165836794 0.94358483463579 30.974 > 99 116 P 0.61003009274526 0.47498165836794 0.94358483463579 30.974 > 99 117 P 0.11003009274526 0.52501834163205 0.44358483463579 30.974 > 101 118 P 0.61003009274526 0.52501834163205 0.44358483463579 30.974 > 101 119 P 0.38996990725474 0.52501834163205 0.05641516536421 30.974 > 103 120 P 0.88996990725474 0.52501834163205 0.05641516536421 30.974 > 103 121 P 0.02068748562929 0.66586188428798 0.98940915096167 30.974 > 105 122 P 0.52068748562929 0.66586188428798 0.98940915096167 30.974 > 105 123 P 0.47931251437071 0.66586188428798 0.51059084903833 30.974 > 107 124 P 0.97931251437071 0.66586188428798 0.51059084903833 30.974 > 107 125 P 0.47931251437071 0.33413811571202 0.01059084903833 30.974 > 109 126 P 0.97931251437071 0.33413811571202 0.01059084903833 30.974 > 109 127 P 0.02068748562929 0.33413811571202 0.48940915096167 30.974 > 111 128 P 0.52068748562929 0.33413811571202 0.48940915096167 30.974 > 111 129 Rb 0.25000000000000 0.68924361380556 0.75000000000000 85.468 > 129 130 Rb 0.75000000000000 0.68924361380556 0.75000000000000 85.468 > 129 131 Rb 0.25000000000000 0.31075638619444 0.25000000000000 85.468 > 131 132 Rb 0.75000000000000 0.31075638619444 0.25000000000000 85.468 > 131 133 Rb 0.00000000000000 0.18924361380556 0.75000000000000 85.468 > 129 134 Rb 0.50000000000000 0.18924361380556 0.75000000000000 85.468 > 129 135 Rb 0.00000000000000 0.81075638619444 0.25000000000000 85.468 > 131 136 Rb 0.50000000000000 0.81075638619444 0.25000000000000 85.468 > 131 137 Sm 0.25000000000000 0.37841932330164 0.75000000000000 150.360 > 137 138 Sm 0.75000000000000 0.37841932330164 0.75000000000000 150.360 > 137 139 Sm 0.25000000000000 0.62158067669836 0.25000000000000 150.360 > 139 140 Sm 0.75000000000000 0.62158067669836 0.25000000000000 150.360 > 139 141 Sm 0.00000000000000 0.87841932330164 0.75000000000000 150.360 > 137 142 Sm 0.50000000000000 0.87841932330164 0.75000000000000 150.360 > 137 143 Sm 0.00000000000000 0.12158067669836 0.25000000000000 150.360 > 139 144 Sm 0.50000000000000 0.12158067669836 0.25000000000000 150.360 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7440636 0.0000000 -0.0002213 0.0000000 2.7292762 0.0000000 -0.0002198 0.0000000 2.7285927 -------------------------- Born effective charges -------------------------- 1 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 2 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 3 O -1.2069126 0.0961034 -0.0010551 0.0654599 -2.0030865 -0.9406965 -0.0690855 -0.8049981 -1.6968957 4 O -1.2069126 -0.0961034 -0.0010551 -0.0654599 -2.0030865 0.9406965 -0.0690855 0.8049981 -1.6968957 5 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 6 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 7 O -1.7006529 0.0117705 -0.6168681 -0.1049581 -1.2206842 -0.0741369 -0.6885306 0.0704892 -1.7670138 8 O -1.7006529 -0.0117705 -0.6168681 0.1049581 -1.2206842 0.0741369 -0.6885306 -0.0704892 -1.7670138 9 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 10 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 11 O -1.2782068 -0.2204802 -0.5464929 -0.0924514 -1.3833597 -0.4606371 -0.3211777 -0.4509388 -2.1344430 12 O -1.2782068 0.2204802 -0.5464929 0.0924514 -1.3833597 0.4606371 -0.3211777 0.4509388 -2.1344430 13 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 14 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 15 O -2.4491626 -1.1254065 0.4868047 -1.0603501 -1.9503340 0.1676880 0.3036565 0.1114246 -1.0329587 16 O -2.4491626 1.1254065 0.4868047 1.0603501 -1.9503340 -0.1676880 0.3036565 -0.1114246 -1.0329587 17 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 18 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 19 O -1.5485847 -0.9186845 0.1051289 -0.9608490 -2.3804135 0.3074474 0.0365380 0.2700404 -1.0640346 20 O -1.5485847 0.9186845 0.1051289 0.9608490 -2.3804135 -0.3074474 0.0365380 -0.2700404 -1.0640346 21 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 22 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 23 O -1.9599524 0.3001362 0.7475904 0.3507245 -1.1031663 -0.2833136 0.6903900 -0.2660569 -1.6540383 24 O -1.9599524 -0.3001362 0.7475904 -0.3507245 -1.1031663 0.2833136 0.6903900 0.2660569 -1.6540383 25 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 26 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 27 P 3.8242382 -0.3386552 -0.1182820 0.2214627 3.4918070 -0.3391621 -0.2595565 -0.2092417 3.2865319 28 P 3.8242382 0.3386552 -0.1182820 -0.2214627 3.4918070 0.3391621 -0.2595565 0.2092417 3.2865319 29 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 30 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 31 P 3.5857231 0.0766651 -0.2648814 0.2697390 3.8641543 -0.2853862 0.3782615 -0.2248908 3.1529860 32 P 3.5857231 -0.0766651 -0.2648814 -0.2697390 3.8641543 0.2853862 0.3782615 0.2248908 3.1529860 33 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 34 Rb 1.2430261 0.0000000 0.0227671 0.0000000 1.4042732 0.0000000 0.0024640 0.0000000 1.2436301 35 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 36 Sm 4.2239954 0.0000000 0.3933442 0.0000000 3.9658927 0.0000000 -0.1434553 0.0000000 4.5761023 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 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 1.008 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.813 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.617 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 13.260 ( 0.000 0.000 0.000) 0.000 13.612 ( 0.000 0.000 0.000) 0.000 13.666 ( 0.000 0.000 0.000) 0.000 13.698 ( 0.000 0.000 0.000) 0.000 13.765 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.196 ( 0.000 0.000 0.000) 0.000 14.256 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.325 ( 0.000 0.000 0.000) 0.000 15.537 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 19.464 ( 0.000 0.000 0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 19.982 ( 0.000 0.000 0.000) 0.000 20.171 ( 0.000 0.000 0.000) 0.000 21.000 ( 0.000 0.000 0.000) 0.000 21.602 ( 0.000 0.000 0.000) 0.000 22.980 ( 0.000 0.000 0.000) 0.000 23.473 ( 0.000 0.000 0.000) 0.000 26.693 ( 0.000 0.000 0.000) 0.000 26.697 ( 0.000 0.000 0.000) 0.000 28.977 ( 0.000 0.000 0.000) 0.000 29.067 ( 0.000 0.000 0.000) 0.000 29.361 ( 0.000 0.000 0.000) 0.000 29.553 ( 0.000 0.000 0.000) 0.000 30.725 ( 0.000 0.000 0.000) 0.000 30.844 ( 0.000 0.000 0.000) 0.000 31.067 ( 0.000 0.000 0.000) 0.000 31.242 ( 0.000 0.000 0.000) 0.000 32.112 ( 0.000 0.000 0.000) 0.000 32.133 ( 0.000 0.000 0.000) 0.000 32.372 ( 0.000 0.000 0.000) 0.000 32.539 ( 0.000 0.000 0.000) 0.000 33.429 ( 0.000 0.000 0.000) 0.000 34.136 ( 0.000 0.000 0.000) 0.000 35.550 ( 0.000 0.000 0.000) 0.000 35.712 ( 0.000 0.000 0.000) 0.000 35.796 ( 0.000 0.000 0.000) 0.000 36.122 ( 0.000 0.000 0.000) 0.000 36.158 ( 0.000 0.000 0.000) 0.000 36.564 ( 0.000 0.000 0.000) 0.000 36.683 ( 0.000 0.000 0.000) 0.000 39.119 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 21.126 -13.656 6.264) 25.923 0.602 ( 21.783 -14.435 13.904) 29.601 0.787 ( 25.731 -15.768 17.233) 34.752 1.100 ( 0.158 -2.152 1.438) 2.593 1.255 ( 9.607 4.148 6.021) 12.073 2.049 ( 3.383 -1.265 -8.111) 8.879 2.065 ( 7.983 -6.206 -8.466) 13.187 2.246 ( 0.370 1.832 -1.632) 2.482 2.388 ( 5.734 0.286 3.478) 6.712 2.473 ( 3.886 -0.632 0.206) 3.943 2.531 ( 4.925 -1.728 7.980) 9.535 2.901 ( 3.139 -2.459 -0.064) 3.988 3.097 ( 7.616 0.253 -6.046) 9.728 3.127 ( 0.908 4.476 -8.150) 9.342 3.316 ( -1.056 0.026 4.119) 4.252 3.503 ( -3.363 -4.530 -0.192) 5.645 3.591 ( -2.875 1.735 -3.520) 4.865 3.864 ( -8.965 1.955 4.539) 10.237 3.962 ( -1.566 0.305 -0.241) 1.613 3.974 ( -13.131 -4.444 2.298) 14.052 4.311 ( 8.753 6.429 -8.892) 14.037 4.559 ( -0.760 -0.827 0.088) 1.127 4.583 ( -6.099 3.577 0.574) 7.093 4.670 ( -4.767 -1.438 2.046) 5.383 4.860 ( 2.028 -1.809 -1.733) 3.223 4.944 ( -1.429 3.024 3.143) 4.589 5.104 ( -4.757 -3.483 -3.156) 6.688 5.219 ( -1.929 1.134 2.690) 3.499 5.272 ( -3.076 -1.392 -0.318) 3.391 5.399 ( -0.768 -0.991 0.647) 1.411 5.565 ( -9.154 2.433 1.754) 9.632 5.811 ( 2.859 10.307 1.856) 10.856 6.276 ( -2.401 1.001 -0.216) 2.611 6.568 ( -15.856 5.601 20.606) 26.597 6.680 ( -2.015 5.961 1.082) 6.385 6.793 ( -2.496 -1.982 -3.111) 4.453 7.005 ( 1.923 2.751 -1.009) 3.505 7.132 ( -7.149 -1.171 3.998) 8.274 7.352 ( 7.570 2.080 -1.351) 7.966 7.536 ( 2.797 1.418 -0.184) 3.141 8.646 ( 3.107 1.101 -0.553) 3.342 8.659 ( -1.348 -0.172 0.712) 1.534 9.018 ( 6.677 4.742 4.267) 9.235 9.090 ( 8.392 -3.055 0.739) 8.961 9.145 ( 5.862 0.761 0.410) 5.926 9.276 ( 0.843 -0.340 -0.160) 0.923 9.585 ( -1.964 1.167 -0.750) 2.404 9.671 ( -0.165 2.327 -5.197) 5.697 9.770 ( 0.007 3.662 0.312) 3.675 9.942 ( 3.331 -2.397 -1.419) 4.342 10.235 ( -6.764 -1.794 1.905) 7.253 10.504 ( -7.292 -1.467 0.172) 7.440 11.061 ( 7.171 2.674 -0.637) 7.679 11.193 ( 2.065 -1.050 0.115) 2.319 11.552 ( 2.672 0.668 -1.038) 2.944 11.569 ( 3.007 -0.274 -1.121) 3.221 13.133 ( -2.527 -0.587 0.565) 2.655 13.170 ( -4.477 0.934 -0.600) 4.613 13.175 ( -0.414 1.246 -1.483) 1.980 13.253 ( 0.400 -1.270 -0.052) 1.332 13.647 ( -1.535 2.841 1.171) 3.435 13.732 ( 2.740 2.759 -0.403) 3.910 13.749 ( 8.556 10.325 -1.498) 13.493 14.005 ( -3.215 5.614 0.335) 6.478 14.116 ( 14.229 0.496 -5.786) 15.368 14.158 ( -6.627 -6.905 0.782) 9.603 14.358 ( 2.131 -4.471 0.948) 5.043 14.744 ( -12.332 -32.464 -8.484) 35.748 15.262 ( 1.132 0.797 -0.840) 1.619 15.446 ( -2.471 -13.381 -14.252) 19.705 15.582 ( 2.350 0.614 0.039) 2.429 15.625 ( 6.119 -1.282 -0.211) 6.256 16.523 ( -0.914 -1.029 -1.512) 2.044 16.627 ( 2.197 0.025 1.869) 2.885 16.683 ( -0.078 -0.023 -0.516) 0.522 16.902 ( 10.136 11.266 -8.896) 17.573 19.408 ( -4.447 2.347 -1.750) 5.324 19.519 ( -2.678 1.753 0.547) 3.247 20.024 ( 4.082 3.628 -4.063) 6.807 20.306 ( -4.286 -15.148 -6.031) 16.858 21.003 ( 0.536 0.384 0.153) 0.676 21.603 ( -0.967 -0.167 -0.068) 0.984 22.983 ( -0.075 -0.811 -0.430) 0.921 23.467 ( 0.240 0.957 -0.686) 1.202 26.685 ( -0.590 1.001 0.089) 1.165 26.705 ( 0.522 -0.957 -0.051) 1.091 29.093 ( -0.784 -4.789 -1.298) 5.024 29.166 ( -7.143 -21.167 1.249) 22.374 29.444 ( 10.078 -1.238 -0.922) 10.195 30.713 ( -2.513 -0.188 1.137) 2.765 30.831 ( -1.720 -0.726 -0.382) 1.906 31.043 ( -3.067 -0.133 0.388) 3.094 31.087 ( 11.306 -13.360 -58.714) 61.267 31.239 ( 8.838 1.570 -21.388) 23.195 32.137 ( 2.034 -0.518 -0.208) 2.109 32.166 ( 0.872 -0.800 -0.680) 1.365 32.530 ( 3.009 3.057 1.425) 4.520 32.966 ( 11.195 0.376 -26.232) 28.523 33.436 ( 0.124 -1.297 -0.275) 1.332 34.117 ( -1.105 1.442 -1.133) 2.141 35.555 ( 0.620 0.872 1.724) 2.029 35.797 ( -0.127 -0.894 -1.022) 1.363 36.082 ( 2.902 8.134 4.307) 9.651 36.132 ( 0.961 1.642 2.295) 2.981 36.547 ( 10.556 -1.390 -24.982) 27.156 36.683 ( 0.306 0.720 0.484) 0.920 37.029 ( -29.024 14.954 99.644) 104.857 39.040 ( -6.715 5.165 0.547) 8.490 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 13.974 -7.286 2.728) 15.994 1.042 ( 7.521 -2.026 0.997) 7.853 1.078 ( 13.684 -6.226 -1.277) 15.087 1.364 ( 10.052 -20.473 18.147) 29.146 1.583 ( 14.679 -7.375 10.094) 19.281 2.025 ( 5.381 5.699 -6.513) 10.190 2.233 ( 4.187 -1.048 1.282) 4.502 2.270 ( 8.751 -3.046 -8.071) 12.288 2.423 ( -7.307 7.064 3.416) 10.722 2.567 ( 1.925 3.159 1.675) 4.061 2.644 ( 16.530 -3.923 3.040) 17.259 2.983 ( 2.746 0.081 -4.481) 5.256 3.031 ( -5.467 -4.661 -1.293) 7.300 3.213 ( 7.620 -2.206 -12.397) 14.718 3.281 ( -6.141 1.671 -1.296) 6.495 3.468 ( -0.398 3.583 5.362) 6.461 3.498 ( -1.899 5.731 0.383) 6.050 3.744 ( -5.233 -1.105 5.082) 7.378 3.894 ( -4.624 -9.544 -1.098) 10.661 3.996 ( 4.295 0.018 1.410) 4.520 4.238 ( -3.882 8.167 -3.136) 9.571 4.461 ( 0.184 0.362 -5.669) 5.683 4.587 ( -2.577 0.919 2.897) 3.985 4.598 ( -4.511 1.906 3.513) 6.027 4.790 ( -5.602 4.676 -5.118) 8.913 4.902 ( -5.405 -3.928 1.056) 6.765 5.079 ( -1.171 -0.378 -1.155) 1.688 5.100 ( -9.817 2.104 -4.904) 11.174 5.255 ( -1.492 -3.668 3.889) 5.550 5.373 ( -8.881 -0.739 0.372) 8.920 5.440 ( -1.131 1.338 4.088) 4.447 5.768 ( 2.623 7.044 -0.741) 7.553 6.221 ( -2.373 2.550 0.942) 3.608 6.375 ( -15.418 -3.619 7.925) 17.709 6.609 ( -2.318 4.965 1.310) 5.634 6.724 ( -5.135 -1.633 -4.567) 7.063 6.969 ( 1.004 4.026 -1.986) 4.600 7.133 ( -0.017 -2.968 4.194) 5.138 7.401 ( 2.964 5.110 -1.267) 6.042 7.568 ( 3.521 1.292 0.106) 3.752 8.648 ( -0.343 0.179 1.212) 1.272 8.708 ( 4.775 -1.535 -0.668) 5.060 9.006 ( -2.463 3.679 -0.099) 4.428 9.242 ( 5.528 2.493 0.750) 6.110 9.297 ( 8.167 2.833 -1.090) 8.713 9.344 ( 12.406 -1.408 1.019) 12.527 9.552 ( 0.282 0.775 0.383) 0.909 9.609 ( -4.699 -2.590 -1.974) 5.717 9.715 ( -1.402 4.877 0.641) 5.115 10.017 ( -0.213 -3.355 0.376) 3.383 10.161 ( -4.440 -2.609 0.759) 5.205 10.397 ( -7.975 -4.267 -0.386) 9.053 11.154 ( 7.138 1.715 -0.523) 7.360 11.227 ( 2.696 1.783 0.327) 3.249 11.600 ( 4.111 0.868 -0.874) 4.292 11.636 ( 5.563 -0.955 -1.156) 5.761 12.996 ( -11.538 6.018 -0.288) 13.016 13.081 ( -3.776 0.673 -0.379) 3.855 13.188 ( 2.025 -1.908 -0.813) 2.899 13.299 ( 1.560 -3.380 0.444) 3.749 13.542 ( -4.988 5.970 0.102) 7.780 13.719 ( -0.420 -0.818 0.770) 1.199 13.825 ( 12.827 12.118 -0.392) 17.650 13.933 ( -0.574 0.798 -0.768) 1.248 14.116 ( -10.382 -11.020 1.082) 15.179 14.282 ( 4.025 -0.116 -0.289) 4.037 14.435 ( 0.024 -4.919 1.433) 5.123 14.851 ( 2.274 -15.907 -2.791) 16.309 15.319 ( 2.679 -6.275 0.451) 6.838 15.479 ( 2.678 -5.458 -6.094) 8.609 15.609 ( 1.481 0.629 0.103) 1.612 15.716 ( 4.682 1.702 0.505) 5.007 16.527 ( 0.754 -1.884 -0.885) 2.214 16.665 ( 1.419 0.100 0.480) 1.501 16.684 ( 0.202 -0.484 0.111) 0.536 16.893 ( 3.354 5.016 -2.946) 6.715 19.280 ( -5.583 3.148 -2.687) 6.950 19.448 ( -3.934 2.255 0.680) 4.585 20.029 ( 2.008 1.461 -2.093) 3.248 20.359 ( -0.524 -7.939 -1.960) 8.194 21.010 ( 1.051 0.491 -0.365) 1.216 21.585 ( -0.663 0.955 0.211) 1.182 22.987 ( -0.113 -0.997 -0.633) 1.187 23.461 ( 0.799 0.762 -0.849) 1.392 26.661 ( -0.785 1.429 0.059) 1.631 26.727 ( 0.756 -1.417 0.008) 1.606 29.106 ( -0.900 -2.604 -1.239) 3.021 29.310 ( 3.538 -11.280 1.195) 11.882 29.673 ( 15.131 -3.159 -0.237) 15.460 30.637 ( -7.640 1.642 1.267) 7.917 30.814 ( -1.822 -2.506 -0.335) 3.116 30.988 ( -3.780 -0.487 0.162) 3.814 31.044 ( -1.622 -10.578 -16.281) 19.483 31.223 ( 8.220 3.755 -19.038) 21.075 32.160 ( 0.733 0.596 -0.164) 0.959 32.197 ( 2.139 -1.115 -0.648) 2.498 32.561 ( 1.872 0.727 1.060) 2.271 32.990 ( 7.359 1.785 -10.012) 12.553 33.453 ( 0.368 -1.766 -0.470) 1.865 34.062 ( -2.114 2.325 -1.800) 3.621 35.577 ( 1.577 1.346 3.346) 3.936 35.793 ( -0.911 -1.795 -2.152) 2.947 36.080 ( 0.675 1.735 1.305) 2.273 36.145 ( 1.004 0.748 0.912) 1.549 36.581 ( 6.197 -1.002 -11.190) 12.831 36.681 ( -0.216 1.286 1.561) 2.034 37.048 ( -12.335 3.984 42.500) 44.433 38.835 ( -9.990 8.093 -0.224) 12.859 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.046 -0.358 0.246) 0.436 1.083 ( 1.908 0.523 -1.358) 2.399 1.511 ( 17.520 -11.203 -1.500) 20.850 1.668 ( -2.896 1.605 -8.058) 8.711 1.858 ( 10.742 -17.278 15.949) 25.852 2.100 ( 7.477 3.651 2.495) 8.687 2.157 ( -6.730 8.357 2.201) 10.954 2.300 ( 2.677 5.226 4.389) 7.331 2.439 ( 6.990 -8.567 2.163) 11.267 2.578 ( 3.399 6.134 -4.466) 8.314 2.854 ( -13.073 -5.179 -4.904) 14.892 2.933 ( -3.736 3.561 -0.085) 5.162 3.059 ( 11.555 -8.519 4.110) 14.933 3.146 ( 1.992 15.250 -10.395) 18.563 3.234 ( -0.112 -9.993 -3.358) 10.542 3.391 ( -7.138 6.162 7.662) 12.150 3.504 ( 6.632 -0.239 1.931) 6.911 3.820 ( 6.999 2.853 -4.190) 8.642 3.877 ( -5.408 -5.118 1.940) 7.694 4.125 ( 0.474 -1.147 -3.425) 3.643 4.153 ( 7.724 -4.390 2.199) 9.153 4.421 ( -3.023 2.266 -1.267) 3.985 4.500 ( -4.245 4.318 1.555) 6.251 4.535 ( -3.367 3.250 3.988) 6.148 4.650 ( -4.739 0.515 -2.905) 5.582 4.844 ( -8.865 -3.309 -1.983) 9.668 4.864 ( -8.327 1.024 -4.753) 9.642 5.057 ( -0.125 1.517 1.641) 2.238 5.229 ( -6.513 0.101 -3.022) 7.181 5.335 ( 1.891 -3.165 3.827) 5.314 5.452 ( -0.174 0.796 3.253) 3.353 5.760 ( 2.521 1.913 -1.415) 3.467 6.171 ( -1.585 1.887 0.796) 2.590 6.266 ( -7.252 -2.902 3.337) 8.494 6.526 ( -3.109 2.423 -1.014) 4.070 6.651 ( -2.385 -0.967 -2.021) 3.272 6.947 ( 0.991 2.180 -0.983) 2.588 7.196 ( 1.530 -1.999 2.298) 3.408 7.348 ( -1.295 4.823 -0.261) 5.000 7.618 ( 3.072 0.400 0.025) 3.098 8.663 ( 0.972 -0.191 1.088) 1.471 8.793 ( 2.944 -1.645 -1.471) 3.680 8.919 ( -2.754 2.026 0.440) 3.447 9.220 ( -1.354 2.678 -0.965) 3.152 9.435 ( 12.100 5.088 -2.891) 13.440 9.510 ( 3.978 -1.160 0.822) 4.225 9.558 ( -3.093 -2.645 -1.208) 4.246 9.606 ( 6.524 2.212 4.849) 8.424 9.658 ( -1.508 1.028 -0.733) 1.967 9.960 ( -8.013 -1.903 1.755) 8.421 10.116 ( -6.146 -1.099 -1.079) 6.336 10.402 ( 2.027 -5.629 -0.602) 6.013 11.234 ( 4.631 0.955 -0.250) 4.735 11.263 ( 3.208 0.585 0.154) 3.264 11.639 ( 2.363 0.796 -0.677) 2.584 11.725 ( 4.297 -0.640 -0.289) 4.354 12.732 ( -11.588 6.042 -0.213) 13.071 13.023 ( -2.204 0.501 -0.311) 2.281 13.242 ( 1.779 -2.533 -0.174) 3.100 13.354 ( 0.533 -2.683 1.039) 2.926 13.427 ( -2.260 4.317 -0.768) 4.933 13.735 ( -0.032 -1.275 1.368) 1.870 13.904 ( 10.286 9.232 -0.215) 13.823 13.941 ( 5.162 4.201 -1.615) 6.848 14.060 ( -12.624 -13.458 1.124) 18.486 14.290 ( -1.412 0.189 0.730) 1.600 14.422 ( -4.095 -1.453 -0.470) 4.371 15.058 ( 6.692 -7.879 0.178) 10.339 15.443 ( 3.242 -7.460 0.402) 8.144 15.554 ( 4.150 -3.175 -2.019) 5.601 15.608 ( -0.080 2.243 -0.044) 2.245 15.735 ( 0.335 2.929 0.529) 2.995 16.569 ( 2.015 -2.252 -0.157) 3.026 16.683 ( 0.927 -0.251 -0.487) 1.077 16.686 ( -0.689 0.193 0.360) 0.801 16.877 ( 0.879 2.646 -0.695) 2.874 19.165 ( -3.366 1.941 -1.985) 4.363 19.374 ( -2.947 1.594 0.411) 3.375 20.033 ( 0.938 0.616 -1.012) 1.511 20.409 ( 0.183 -3.884 -0.513) 3.922 21.020 ( 0.830 0.307 -0.344) 0.950 21.569 ( -0.349 0.758 0.198) 0.858 22.991 ( -0.018 -0.651 -0.460) 0.798 23.466 ( 0.817 0.188 -0.504) 0.978 26.638 ( -0.535 0.997 0.031) 1.132 26.751 ( 0.557 -1.017 0.024) 1.160 29.105 ( -0.248 -0.574 -0.795) 1.011 29.488 ( 5.943 -6.695 0.848) 8.992 29.924 ( 11.042 -2.342 0.725) 11.311 30.477 ( -9.218 2.025 0.430) 9.448 30.815 ( -0.911 -2.014 -0.033) 2.211 30.948 ( -1.875 -0.444 0.046) 1.928 31.042 ( -2.691 -8.823 -4.325) 10.188 31.191 ( 5.014 4.781 -11.277) 13.235 32.156 ( -0.052 0.596 -0.448) 0.747 32.231 ( 1.326 -0.476 -0.266) 1.434 32.582 ( 0.735 0.288 0.648) 1.021 33.034 ( 4.764 0.911 -3.635) 6.062 33.472 ( 0.392 -1.214 -0.439) 1.349 33.995 ( -2.004 1.890 -1.399) 3.090 35.616 ( 1.982 1.432 3.596) 4.348 35.776 ( -1.477 -2.014 -2.606) 3.609 36.080 ( -0.167 0.431 0.849) 0.966 36.162 ( 1.254 0.058 -0.089) 1.259 36.617 ( 3.978 -0.772 -6.432) 7.603 36.670 ( -1.200 1.393 2.895) 3.430 37.083 ( -4.882 -0.106 18.255) 18.897 38.608 ( -7.567 6.496 -1.067) 10.029 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 0.000 -0.000) 0.000 1.074 ( 0.000 -0.000 0.000) 0.000 1.513 ( 0.000 -0.000 -0.000) 0.000 1.802 ( 0.000 -0.000 0.000) 0.000 2.048 ( 0.000 -0.000 0.000) 0.000 2.092 ( 0.000 -0.000 -0.000) 0.000 2.194 ( 0.000 -0.000 0.000) 0.000 2.385 ( 0.000 -0.000 0.000) 0.000 2.398 ( -0.000 0.000 -0.000) 0.000 2.669 ( 0.000 -0.000 0.000) 0.000 2.705 ( 0.000 -0.000 0.000) 0.000 2.909 ( 0.000 0.000 -0.000) 0.000 2.930 ( 0.000 -0.000 0.000) 0.000 3.229 ( 0.000 -0.000 0.000) 0.000 3.278 ( 0.000 -0.000 -0.000) 0.000 3.313 ( 0.000 -0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 -0.000 0.000) 0.000 3.882 ( 0.000 -0.000 -0.000) 0.000 4.098 ( 0.000 -0.000 -0.000) 0.000 4.300 ( 0.000 -0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 -0.000 -0.000) 0.000 4.531 ( 0.000 -0.000 -0.000) 0.000 4.582 ( 0.000 -0.000 0.000) 0.000 4.686 ( 0.000 -0.000 -0.000) 0.000 4.833 ( 0.000 -0.000 0.000) 0.000 5.100 ( 0.000 -0.000 0.000) 0.000 5.118 ( -0.000 0.000 -0.000) 0.000 5.391 ( 0.000 -0.000 0.000) 0.000 5.453 ( 0.000 -0.000 0.000) 0.000 5.771 ( 0.000 -0.000 0.000) 0.000 6.151 ( 0.000 -0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 -0.000 0.000) 0.000 6.634 ( 0.000 -0.000 -0.000) 0.000 6.942 ( 0.000 -0.000 0.000) 0.000 7.229 ( 0.000 -0.000 0.000) 0.000 7.306 ( 0.000 -0.000 -0.000) 0.000 7.643 ( 0.000 -0.000 0.000) 0.000 8.679 ( 0.000 -0.000 0.000) 0.000 8.796 ( 0.000 -0.000 0.000) 0.000 8.913 ( 0.000 -0.000 0.000) 0.000 9.184 ( 0.000 -0.000 0.000) 0.000 9.503 ( 0.000 -0.000 0.000) 0.000 9.527 ( 0.000 -0.000 0.000) 0.000 9.558 ( 0.000 -0.000 -0.000) 0.000 9.630 ( 0.000 -0.000 0.000) 0.000 9.701 ( 0.000 -0.000 0.000) 0.000 9.897 ( 0.000 -0.000 0.000) 0.000 10.044 ( 0.000 -0.000 0.000) 0.000 10.458 ( 0.000 -0.000 0.000) 0.000 11.267 ( 0.000 -0.000 0.000) 0.000 11.296 ( 0.000 -0.000 -0.000) 0.000 11.651 ( 0.000 -0.000 0.000) 0.000 11.763 ( 0.000 -0.000 0.000) 0.000 12.594 ( 0.000 -0.000 0.000) 0.000 13.002 ( 0.000 -0.000 0.000) 0.000 13.272 ( 0.000 -0.000 -0.000) 0.000 13.368 ( 0.000 -0.000 0.000) 0.000 13.391 ( 0.000 -0.000 0.000) 0.000 13.747 ( 0.000 -0.000 0.000) 0.000 13.944 ( 0.000 -0.000 0.000) 0.000 13.993 ( -0.000 -0.000 0.000) 0.000 13.995 ( 0.000 0.000 -0.000) 0.000 14.273 ( 0.000 -0.000 0.000) 0.000 14.389 ( 0.000 -0.000 0.000) 0.000 15.155 ( 0.000 -0.000 0.000) 0.000 15.552 ( -0.000 0.000 0.000) 0.000 15.553 ( 0.000 -0.000 -0.000) 0.000 15.618 ( 0.000 -0.000 0.000) 0.000 15.706 ( 0.000 0.000 0.000) 0.000 16.607 ( 0.000 -0.000 -0.000) 0.000 16.668 ( 0.000 -0.000 0.000) 0.000 16.694 ( 0.000 -0.000 0.000) 0.000 16.867 ( 0.000 -0.000 0.000) 0.000 19.122 ( 0.000 -0.000 0.000) 0.000 19.342 ( 0.000 -0.000 -0.000) 0.000 20.034 ( 0.000 -0.000 0.000) 0.000 20.428 ( 0.000 -0.000 0.000) 0.000 21.024 ( 0.000 -0.000 0.000) 0.000 21.563 ( 0.000 -0.000 0.000) 0.000 22.993 ( 0.000 -0.000 0.000) 0.000 23.471 ( 0.000 -0.000 0.000) 0.000 26.629 ( 0.000 -0.000 0.000) 0.000 26.761 ( 0.000 -0.000 0.000) 0.000 29.103 ( 0.000 -0.000 0.000) 0.000 29.585 ( 0.000 -0.000 0.000) 0.000 30.031 ( 0.000 -0.000 -0.000) 0.000 30.380 ( 0.000 -0.000 0.000) 0.000 30.818 ( 0.000 -0.000 0.000) 0.000 30.936 ( 0.000 0.000 0.000) 0.000 31.058 ( 0.000 -0.000 0.000) 0.000 31.166 ( 0.000 -0.000 -0.000) 0.000 32.149 ( 0.000 -0.000 0.000) 0.000 32.243 ( 0.000 -0.000 -0.000) 0.000 32.588 ( 0.000 -0.000 0.000) 0.000 33.060 ( 0.000 -0.000 0.000) 0.000 33.480 ( 0.000 -0.000 0.000) 0.000 33.962 ( 0.000 -0.000 0.000) 0.000 35.640 ( 0.000 -0.000 0.000) 0.000 35.763 ( 0.000 -0.000 0.000) 0.000 36.079 ( 0.000 -0.000 0.000) 0.000 36.174 ( 0.000 -0.000 0.000) 0.000 36.635 ( 0.000 -0.000 -0.000) 0.000 36.659 ( -0.000 -0.000 0.000) 0.000 37.105 ( 0.000 -0.000 0.000) 0.000 38.505 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 21.474 -0.000 9.537) 23.497 0.945 ( 22.125 -0.000 18.209) 28.655 1.089 ( 8.125 -0.000 0.516) 8.141 1.102 ( 1.808 -0.000 4.460) 4.813 1.513 ( 15.449 -0.000 9.913) 18.356 2.100 ( 10.244 -0.000 -5.190) 11.484 2.176 ( 13.474 -0.000 -7.846) 15.592 2.271 ( 3.388 -0.000 -1.747) 3.812 2.486 ( 5.255 -0.000 -2.019) 5.630 2.608 ( 11.996 -0.000 6.515) 13.651 2.623 ( -6.552 0.000 9.740) 11.739 2.941 ( 2.654 -0.000 2.989) 3.998 3.030 ( -4.709 0.000 -21.730) 22.235 3.139 ( 3.568 -0.000 -6.868) 7.740 3.413 ( 0.269 -0.000 -3.902) 3.911 3.452 ( 11.524 -0.000 -0.789) 11.551 3.573 ( 0.427 -0.000 3.188) 3.217 3.717 ( -12.290 0.000 6.475) 13.892 3.727 ( -13.286 0.000 6.537) 14.807 4.010 ( 3.501 -0.000 0.013) 3.501 4.363 ( -15.851 0.000 1.019) 15.883 4.433 ( 8.836 -0.000 -11.481) 14.488 4.588 ( -0.844 0.000 2.640) 2.772 4.617 ( -4.586 0.000 1.818) 4.934 4.851 ( -3.879 0.000 2.658) 4.702 4.876 ( -12.413 0.000 -3.915) 13.016 5.032 ( 4.896 -0.000 0.161) 4.899 5.120 ( -9.894 0.000 -6.256) 11.706 5.257 ( 0.895 -0.000 3.577) 3.688 5.340 ( -11.591 0.000 1.949) 11.754 5.456 ( -1.376 0.000 1.913) 2.356 5.855 ( -1.980 0.000 0.072) 1.982 6.252 ( -1.836 0.000 1.515) 2.380 6.323 ( -18.966 0.000 10.404) 21.632 6.668 ( -5.735 0.000 -4.344) 7.195 6.705 ( -3.664 0.000 -0.584) 3.710 7.070 ( 1.637 -0.000 -1.724) 2.378 7.078 ( -0.490 0.000 5.180) 5.203 7.460 ( 4.814 -0.000 -1.902) 5.176 7.573 ( 0.744 -0.000 0.372) 0.832 8.645 ( -0.809 0.000 2.045) 2.199 8.701 ( 4.224 -0.000 -1.283) 4.415 9.051 ( -4.010 0.000 0.934) 4.118 9.275 ( 1.377 -0.000 0.620) 1.511 9.313 ( 15.104 -0.000 0.392) 15.109 9.323 ( 11.983 -0.000 0.087) 11.984 9.519 ( -4.332 0.000 0.997) 4.446 9.615 ( -3.538 0.000 -2.623) 4.404 9.790 ( -0.071 0.000 -0.583) 0.587 9.955 ( -0.265 0.000 -1.445) 1.469 10.140 ( -1.414 0.000 0.751) 1.602 10.357 ( -10.469 0.000 0.099) 10.470 11.175 ( 5.985 -0.000 -0.413) 5.999 11.240 ( 2.617 -0.000 0.449) 2.655 11.613 ( 5.481 -0.000 -1.200) 5.611 11.623 ( 4.043 -0.000 -0.286) 4.053 13.071 ( -6.088 0.000 0.946) 6.161 13.077 ( -7.129 0.000 -1.394) 7.264 13.196 ( 1.946 -0.000 -0.866) 2.131 13.221 ( -0.898 0.000 0.008) 0.898 13.650 ( -1.985 0.000 2.252) 3.002 13.671 ( -5.440 0.000 -1.836) 5.741 13.927 ( -3.902 0.000 0.825) 3.988 13.941 ( -7.595 0.000 -0.007) 7.595 14.161 ( 17.655 -0.000 2.343) 17.809 14.328 ( 5.283 -0.000 -4.011) 6.633 14.395 ( 8.235 -0.000 -3.616) 8.994 14.467 ( 1.305 -0.000 -0.911) 1.591 15.259 ( 2.152 -0.000 0.299) 2.172 15.430 ( 7.411 -0.000 -6.338) 9.752 15.610 ( 1.272 -0.000 0.291) 1.305 15.740 ( 6.211 -0.000 0.723) 6.253 16.508 ( 0.794 -0.000 -0.964) 1.249 16.671 ( 1.645 -0.000 1.604) 2.298 16.673 ( -0.384 0.000 -1.153) 1.215 16.955 ( 1.284 -0.000 -6.893) 7.012 19.311 ( -6.793 0.000 -2.330) 7.182 19.470 ( -4.588 0.000 0.461) 4.611 20.084 ( 3.569 -0.000 -6.731) 7.619 20.229 ( 2.732 -0.000 1.745) 3.241 21.015 ( 0.785 -0.000 -0.164) 0.802 21.595 ( -0.757 0.000 0.492) 0.903 22.967 ( -1.257 0.000 2.152) 2.492 23.467 ( 0.271 -0.000 -1.934) 1.953 26.691 ( -0.251 0.000 0.553) 0.607 26.698 ( 0.294 -0.000 -0.661) 0.723 29.110 ( 7.583 -0.000 2.927) 8.128 29.145 ( 5.731 -0.000 -2.613) 6.299 29.635 ( 14.417 -0.000 -0.411) 14.423 30.681 ( -3.223 0.000 3.012) 4.412 30.742 ( -7.911 0.000 -3.331) 8.584 30.924 ( 0.563 -0.000 -12.519) 12.532 30.990 ( -3.613 0.000 1.042) 3.761 31.280 ( 14.320 -0.000 -29.286) 32.599 32.170 ( 0.136 -0.000 0.076) 0.156 32.181 ( 3.244 -0.000 -0.406) 3.270 32.570 ( 1.049 -0.000 1.225) 1.613 33.006 ( 9.050 -0.000 -16.610) 18.915 33.432 ( -0.041 0.000 1.631) 1.631 34.087 ( -2.324 0.000 -2.043) 3.095 35.594 ( 1.957 -0.000 3.085) 3.653 35.772 ( -1.256 0.000 -2.174) 2.510 36.101 ( -1.310 0.000 1.089) 1.703 36.143 ( 1.860 -0.000 -5.408) 5.719 36.570 ( 7.551 -0.000 -13.630) 15.582 36.693 ( 0.543 -0.000 -0.979) 1.120 37.128 ( -24.574 0.000 61.490) 66.219 38.918 ( -11.477 0.000 -0.199) 11.478 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.668 0.309 -0.830) 1.110 1.117 ( 2.339 3.286 0.011) 4.034 1.375 ( 21.964 -1.850 5.966) 22.835 1.499 ( 15.388 -14.068 15.095) 25.740 1.702 ( 6.775 -0.249 -3.767) 7.756 2.211 ( -0.442 5.113 0.688) 5.178 2.289 ( -7.768 2.281 3.806) 8.946 2.356 ( 0.187 0.966 5.351) 5.440 2.381 ( 9.555 2.862 -9.380) 13.692 2.588 ( 3.747 -4.953 -2.155) 6.574 2.859 ( -5.220 4.656 -9.420) 11.733 2.910 ( 14.982 -4.434 6.384) 16.879 3.010 ( -0.431 0.549 0.369) 0.790 3.074 ( -4.005 -2.474 -0.751) 4.767 3.394 ( 6.331 9.087 -5.667) 12.440 3.495 ( -1.762 3.160 4.450) 5.735 3.538 ( -8.410 3.838 6.818) 11.486 3.709 ( 5.924 -9.235 -3.640) 11.560 3.794 ( 9.079 -7.125 -2.601) 11.831 4.073 ( 1.261 1.195 0.012) 1.737 4.128 ( -8.133 -1.106 -1.177) 8.292 4.446 ( -3.890 0.420 -1.006) 4.040 4.541 ( -5.413 0.710 -1.508) 5.664 4.581 ( -2.092 0.967 4.059) 4.668 4.666 ( -7.879 0.677 0.066) 7.908 4.755 ( -9.473 -2.563 1.206) 9.887 4.904 ( -10.431 1.164 -7.485) 12.892 5.114 ( 3.162 2.242 0.571) 3.918 5.180 ( -5.140 -2.243 0.086) 5.609 5.319 ( 3.273 -0.137 2.328) 4.019 5.477 ( 1.399 1.050 2.221) 2.827 5.796 ( -2.393 1.225 -2.153) 3.444 6.167 ( -7.792 -1.083 5.083) 9.366 6.244 ( -1.201 0.173 3.331) 3.545 6.551 ( -4.109 0.461 -6.165) 7.423 6.644 ( -1.888 -0.071 -1.663) 2.517 7.044 ( 1.582 5.738 -0.669) 5.990 7.151 ( 1.972 -2.547 3.817) 4.995 7.450 ( -1.893 4.663 -1.146) 5.161 7.585 ( -0.946 -3.072 0.368) 3.236 8.661 ( 0.763 -0.171 2.568) 2.684 8.772 ( 5.184 -0.277 -1.944) 5.543 8.961 ( -6.046 1.737 1.357) 6.435 9.252 ( -1.973 -0.090 -1.793) 2.668 9.452 ( -3.805 -1.989 1.624) 4.590 9.494 ( 6.468 0.985 -0.328) 6.551 9.503 ( 3.041 -1.482 -2.304) 4.093 9.604 ( 5.371 -0.138 -0.014) 5.372 9.780 ( 3.184 5.813 1.578) 6.813 9.901 ( -6.551 -3.453 0.605) 7.430 10.152 ( -3.428 4.388 -0.823) 5.629 10.275 ( 3.841 -6.783 -1.007) 7.860 11.248 ( 3.549 0.426 -0.329) 3.590 11.269 ( 1.242 0.034 0.576) 1.370 11.667 ( 2.965 1.835 -0.123) 3.489 11.704 ( 4.151 -1.500 -0.348) 4.427 12.874 ( -11.185 7.662 -0.203) 13.559 12.993 ( -6.391 -3.711 -0.047) 7.390 13.206 ( 1.282 -0.037 -0.114) 1.287 13.263 ( 0.430 -5.216 -0.035) 5.233 13.530 ( -3.638 5.761 -0.533) 6.834 13.667 ( -2.739 -5.438 1.257) 6.217 13.868 ( -4.247 -3.507 -0.482) 5.529 13.911 ( -0.143 -1.395 0.378) 1.453 14.289 ( 12.190 15.778 -0.805) 19.954 14.325 ( 0.985 4.327 1.216) 4.601 14.403 ( 1.224 3.104 -0.651) 3.399 14.772 ( 11.038 -20.490 -1.079) 23.299 15.346 ( 5.705 -2.079 1.564) 6.270 15.519 ( 6.824 -0.792 -3.686) 7.796 15.623 ( -0.190 -0.048 0.634) 0.664 15.799 ( 1.833 2.386 0.675) 3.083 16.536 ( 2.310 -0.936 -0.007) 2.492 16.661 ( -0.461 -0.915 -1.224) 1.596 16.694 ( 0.242 0.129 0.814) 0.859 16.920 ( -0.542 1.357 -3.011) 3.347 19.192 ( -5.458 0.702 -1.682) 5.754 19.394 ( -4.374 0.487 -0.011) 4.401 20.081 ( 2.933 3.290 -3.633) 5.712 20.317 ( 2.871 -4.415 1.174) 5.396 21.024 ( 0.414 0.086 -0.223) 0.478 21.580 ( -1.308 0.295 0.737) 1.529 22.970 ( -1.117 -0.921 2.914) 3.254 23.458 ( 0.290 -0.551 -2.776) 2.845 26.672 ( -0.219 2.242 0.030) 2.253 26.718 ( 0.357 -2.183 -0.148) 2.217 29.174 ( 6.757 6.959 -1.314) 9.788 29.353 ( 11.167 -7.877 1.949) 13.804 29.850 ( 8.988 -3.006 0.679) 9.502 30.525 ( -11.497 2.674 -1.052) 11.851 30.713 ( -1.842 -6.675 3.240) 7.645 30.895 ( -0.480 -2.028 -2.750) 3.450 30.956 ( -1.792 -0.533 1.732) 2.548 31.316 ( 12.068 4.309 -20.348) 24.047 32.164 ( -0.664 0.251 -0.056) 0.712 32.225 ( 2.388 -0.161 -0.557) 2.457 32.588 ( 0.209 0.257 1.618) 1.652 33.037 ( 5.237 -0.246 -10.558) 11.788 33.453 ( 0.958 -0.569 1.428) 1.811 34.024 ( -3.048 0.902 -1.967) 3.738 35.650 ( 2.842 1.701 3.531) 4.841 35.735 ( -1.785 -1.833 -3.138) 4.049 36.090 ( -0.848 0.358 1.765) 1.990 36.147 ( 2.461 -0.959 -6.773) 7.270 36.606 ( 4.888 -0.294 -7.650) 9.083 36.688 ( -0.308 0.334 -0.549) 0.712 37.112 ( -13.415 1.833 36.100) 38.555 38.703 ( -11.752 2.728 -2.234) 12.269 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.734 0.094 1.276) 1.475 1.104 ( 0.022 1.915 -1.362) 2.350 1.563 ( -2.402 4.845 -2.141) 5.817 1.754 ( 13.187 -3.330 -0.025) 13.601 1.968 ( 6.840 -6.616 6.994) 11.810 2.040 ( -2.673 -7.350 -3.042) 8.392 2.222 ( 1.953 4.547 0.309) 4.958 2.393 ( -1.037 2.700 0.999) 3.060 2.494 ( -8.341 -1.493 -1.107) 8.545 2.600 ( 0.478 7.001 0.206) 7.020 2.705 ( 7.115 -1.219 0.206) 7.221 2.898 ( -3.785 3.729 0.201) 5.317 3.075 ( -5.547 -11.339 2.842) 12.939 3.196 ( 4.910 7.253 -1.212) 8.843 3.297 ( 5.028 12.194 -8.176) 15.518 3.429 ( -0.095 4.718 8.382) 9.619 3.579 ( 0.321 -7.533 3.180) 8.183 3.834 ( -2.139 -0.368 -4.003) 4.554 3.855 ( 0.975 1.950 4.443) 4.949 4.085 ( 5.408 -8.208 -6.177) 11.609 4.157 ( 0.440 -7.440 -5.543) 9.288 4.318 ( -9.664 0.320 6.310) 11.545 4.486 ( 0.195 0.135 0.677) 0.718 4.537 ( -8.190 -1.445 0.215) 8.319 4.573 ( -1.205 2.013 3.008) 3.815 4.692 ( -2.458 -0.082 -3.128) 3.979 4.774 ( 1.381 -3.397 -0.737) 3.740 5.104 ( 2.425 0.822 -0.279) 2.576 5.188 ( 1.748 3.562 -1.448) 4.224 5.384 ( 3.109 0.713 2.143) 3.843 5.490 ( 0.716 2.489 1.708) 3.102 5.761 ( 0.008 -1.373 -4.091) 4.316 6.118 ( -3.583 -1.385 2.790) 4.748 6.259 ( 1.758 1.183 2.617) 3.367 6.469 ( -0.935 -0.768 -6.523) 6.634 6.637 ( 1.606 0.090 -0.464) 1.674 7.010 ( 1.380 5.873 0.856) 6.094 7.216 ( 1.162 -1.276 1.928) 2.587 7.344 ( -4.126 3.635 -0.184) 5.502 7.593 ( -3.333 -4.655 0.109) 5.726 8.688 ( 0.657 0.695 1.779) 2.019 8.809 ( 0.554 0.919 -0.929) 1.419 8.896 ( -1.866 -0.860 1.551) 2.574 9.210 ( -1.046 1.016 -1.910) 2.403 9.386 ( -8.609 -5.350 2.168) 10.366 9.494 ( -3.906 -3.688 -1.477) 5.572 9.557 ( 0.828 0.415 -0.293) 0.972 9.647 ( -1.024 -0.014 -2.632) 2.824 9.789 ( 2.288 5.116 1.859) 5.905 9.887 ( 2.806 -0.452 -0.741) 2.937 10.088 ( 4.118 3.987 0.957) 5.811 10.421 ( 5.577 -3.362 -1.177) 6.618 11.266 ( -0.964 -0.012 -0.159) 0.977 11.289 ( -0.367 -0.587 0.593) 0.912 11.672 ( -0.042 1.913 0.348) 1.945 11.751 ( -0.051 -1.233 0.105) 1.238 12.655 ( -4.889 6.037 -0.028) 7.768 12.953 ( -4.106 -5.208 0.105) 6.633 13.231 ( 0.582 -2.029 -0.215) 2.122 13.311 ( -1.269 -5.392 0.398) 5.553 13.447 ( -0.230 4.913 -0.495) 4.943 13.684 ( -3.156 -5.871 0.421) 6.678 13.840 ( -2.246 -1.162 0.566) 2.591 13.935 ( 0.492 -1.291 -0.563) 1.492 14.284 ( 2.944 4.876 -0.846) 5.759 14.330 ( 5.444 8.295 0.635) 9.942 14.414 ( 8.195 8.385 -0.352) 11.730 15.053 ( 4.565 -10.513 -0.107) 11.462 15.465 ( 4.242 -2.644 1.485) 5.215 15.598 ( 1.349 0.774 0.556) 1.652 15.622 ( 2.897 -0.856 -2.255) 3.770 15.764 ( -1.715 4.705 0.565) 5.039 16.587 ( 2.242 -1.310 0.414) 2.630 16.661 ( -1.030 -1.863 -0.222) 2.140 16.687 ( -0.559 0.431 -0.512) 0.872 16.878 ( -1.850 0.748 -1.030) 2.246 19.121 ( -2.306 -0.086 0.169) 2.314 19.338 ( -2.038 -0.358 -0.592) 2.153 20.072 ( 2.209 3.373 -1.844) 4.434 20.402 ( 2.603 -2.386 1.041) 3.681 21.023 ( -0.453 -0.113 -0.011) 0.467 21.562 ( -1.326 -0.124 0.761) 1.534 22.981 ( -1.238 -0.923 3.238) 3.588 23.452 ( -0.223 -1.516 -2.763) 3.159 26.649 ( 0.031 1.936 -0.058) 1.937 26.742 ( 0.143 -1.830 -0.071) 1.837 29.191 ( 5.961 8.298 -1.304) 10.300 29.602 ( 11.427 -0.040 1.798) 11.568 29.940 ( -3.793 -6.042 0.024) 7.134 30.357 ( -7.796 -3.737 0.560) 8.663 30.787 ( 1.333 -2.533 3.483) 4.508 30.900 ( -0.666 -2.541 -0.535) 2.681 30.978 ( 0.972 -1.200 5.881) 6.081 31.329 ( 10.299 8.366 -11.938) 17.849 32.149 ( -0.976 -0.073 0.104) 0.984 32.248 ( 1.095 0.426 -0.554) 1.299 32.591 ( -0.657 0.296 1.473) 1.640 33.039 ( 0.380 -1.685 -6.829) 7.044 33.482 ( 1.191 0.138 0.998) 1.560 33.966 ( -1.973 0.281 -0.737) 2.125 35.649 ( -1.306 0.771 -2.693) 3.090 35.755 ( 2.547 -0.728 1.621) 3.106 36.086 ( -0.587 0.596 1.824) 2.007 36.149 ( 1.402 -1.976 -7.483) 7.865 36.628 ( 2.343 -0.218 -4.622) 5.187 36.671 ( -1.610 0.550 1.714) 2.414 37.121 ( -5.208 1.302 18.398) 19.165 38.511 ( -6.812 0.512 -3.268) 7.573 ======================= Grid point 13 (9/93) ======================= q-point: (-0.50 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.415 -0.508 2.278) 2.370 1.079 ( 0.323 1.082 -0.723) 1.341 1.587 ( 6.797 -3.152 6.446) 9.883 1.790 ( -9.276 13.644 5.034) 17.250 1.959 ( -1.967 -10.326 -13.280) 16.937 2.079 ( -12.701 3.341 0.343) 13.138 2.162 ( 0.993 7.445 -6.241) 9.765 2.290 ( 6.032 6.815 0.106) 9.102 2.431 ( -1.166 -5.455 5.301) 7.696 2.642 ( -4.015 4.716 -3.402) 7.067 2.836 ( -1.065 -13.399 6.845) 15.083 2.897 ( 9.184 3.114 -0.145) 9.698 3.002 ( 3.301 7.944 -5.646) 10.290 3.180 ( 1.196 -8.807 -1.569) 9.025 3.247 ( -4.735 9.923 -2.723) 11.327 3.474 ( 3.074 8.344 5.201) 10.302 3.536 ( -7.307 1.702 1.153) 7.590 3.710 ( -4.071 -5.499 2.986) 7.465 3.941 ( -0.612 -1.217 4.276) 4.487 4.112 ( -1.564 -0.376 1.740) 2.370 4.190 ( -9.396 -1.137 -4.250) 10.375 4.289 ( 3.392 -11.788 -6.814) 14.032 4.460 ( 1.141 1.116 0.606) 1.707 4.481 ( 0.269 -1.778 -1.626) 2.425 4.622 ( 2.402 -2.750 6.025) 7.045 4.791 ( 11.026 -2.793 3.478) 11.894 4.878 ( 6.154 -2.086 0.992) 6.573 5.127 ( 1.686 6.002 -3.499) 7.149 5.196 ( 6.130 -0.629 1.531) 6.349 5.396 ( -0.829 1.748 -0.486) 1.995 5.481 ( 1.168 3.519 -1.196) 3.896 5.735 ( -3.010 -0.884 -1.999) 3.720 6.116 ( -0.546 -2.714 0.804) 2.883 6.313 ( 5.395 1.030 0.222) 5.497 6.464 ( 2.300 -3.158 -5.544) 6.782 6.681 ( 4.425 1.722 2.189) 5.229 6.985 ( 1.387 5.303 1.730) 5.748 7.224 ( -1.145 0.721 -0.178) 1.365 7.286 ( -1.197 -1.171 -0.174) 1.684 7.567 ( -5.647 -4.538 -0.062) 7.245 8.679 ( -0.988 1.624 0.132) 1.906 8.818 ( 0.768 0.238 2.393) 2.524 8.880 ( -2.889 -1.845 -0.106) 3.430 9.193 ( 1.242 0.353 0.016) 1.292 9.302 ( -12.650 -7.192 3.201) 14.900 9.468 ( -3.205 -6.967 -6.022) 9.751 9.517 ( -5.361 -0.917 -0.151) 5.440 9.565 ( -5.337 -0.634 -0.048) 5.375 9.788 ( 4.452 8.066 1.223) 9.294 9.972 ( 7.846 -0.156 -2.283) 8.173 10.179 ( 8.643 4.340 1.622) 9.807 10.476 ( 1.737 1.705 -0.648) 2.519 11.214 ( -5.882 -0.959 0.026) 5.959 11.252 ( -5.124 -0.413 0.531) 5.168 11.639 ( -2.479 0.785 0.378) 2.628 11.727 ( -4.213 -0.474 0.830) 4.320 12.660 ( 8.416 -0.954 0.151) 8.471 12.968 ( -0.631 -5.342 0.328) 5.389 13.253 ( -0.203 -1.448 -0.812) 1.673 13.334 ( -2.490 -4.558 0.791) 5.254 13.412 ( 1.620 3.594 -0.329) 3.956 13.676 ( -4.321 -4.751 -0.500) 6.442 13.819 ( -0.637 1.859 -0.083) 1.966 13.940 ( -0.414 -0.357 0.802) 0.970 14.302 ( 4.658 3.818 -1.399) 6.183 14.334 ( 4.485 6.969 -0.024) 8.288 14.487 ( 11.188 8.763 0.335) 14.215 15.110 ( -4.109 -1.528 -0.161) 4.387 15.532 ( -0.949 -1.950 1.247) 2.502 15.565 ( -0.989 2.186 -0.294) 2.418 15.668 ( 3.256 5.507 -1.573) 6.588 15.703 ( -0.461 0.790 1.084) 1.418 16.609 ( -0.833 1.378 0.587) 1.714 16.662 ( 0.266 -1.336 -0.253) 1.385 16.679 ( -0.854 -1.438 -0.365) 1.712 16.837 ( -2.618 -1.024 -0.704) 2.898 19.125 ( 0.699 -1.913 2.033) 2.878 19.336 ( 0.955 -2.050 -0.960) 2.457 20.062 ( 1.479 3.179 -0.662) 3.568 20.456 ( 2.470 0.978 1.145) 2.893 21.012 ( -1.325 -0.459 0.324) 1.439 21.553 ( -0.800 -0.820 0.561) 1.275 22.986 ( -1.912 -0.981 3.479) 4.089 23.444 ( -1.098 -1.940 -2.158) 3.102 26.638 ( 0.570 1.007 -0.096) 1.161 26.753 ( -0.411 -0.824 -0.074) 0.924 29.193 ( 5.218 7.860 -0.546) 9.450 29.649 ( 0.449 10.156 0.088) 10.167 29.886 ( -9.731 -6.078 -1.492) 11.570 30.404 ( 4.648 -7.365 3.350) 9.331 30.828 ( 0.790 0.088 1.520) 1.715 30.915 ( -0.590 -2.988 0.535) 3.093 31.062 ( 0.875 0.387 11.943) 11.981 31.338 ( 9.879 11.495 -5.097) 15.991 32.141 ( -0.795 -0.825 0.748) 1.368 32.246 ( -0.197 0.963 -0.384) 1.055 32.582 ( -1.010 0.367 0.669) 1.266 32.995 ( -4.662 -3.039 -3.405) 6.524 33.495 ( 0.374 1.044 0.947) 1.458 33.959 ( 0.329 -1.606 0.723) 1.792 35.598 ( -1.734 -0.415 -4.253) 4.612 35.808 ( 2.506 1.139 2.011) 3.409 36.076 ( -0.966 -0.159 -1.234) 1.575 36.135 ( -0.322 -2.313 -6.277) 6.698 36.626 ( -0.839 -0.019 -0.719) 1.106 36.653 ( -1.185 -0.025 1.326) 1.779 37.126 ( -0.247 3.623 3.041) 4.737 38.475 ( 0.972 -6.454 -1.727) 6.752 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -4.870 1.812 2.184) 5.636 1.065 ( -0.110 1.808 -0.321) 1.839 1.407 ( -16.278 21.832 6.511) 28.001 1.661 ( -17.626 7.295 -7.843) 20.625 1.779 ( 2.217 6.479 1.756) 7.069 2.011 ( -0.460 9.645 -6.792) 11.805 2.120 ( 7.328 -10.116 -7.808) 14.731 2.304 ( 2.438 2.756 1.325) 3.911 2.449 ( -1.811 2.657 0.462) 3.249 2.516 ( -1.955 3.421 1.679) 4.283 2.773 ( -20.459 6.754 0.641) 21.555 2.938 ( 1.134 -2.736 -1.203) 3.196 3.071 ( -2.000 -7.073 6.213) 9.624 3.150 ( 9.797 0.616 -1.596) 9.945 3.278 ( 2.206 -6.472 -4.996) 8.469 3.430 ( 1.158 4.698 3.236) 5.821 3.522 ( 2.756 7.685 1.303) 8.267 3.718 ( -1.596 -3.772 0.525) 4.129 3.946 ( 0.124 0.436 -3.267) 3.298 4.024 ( -8.249 -2.570 3.570) 9.349 4.122 ( -1.135 -3.606 4.161) 5.621 4.405 ( 2.526 -5.873 -0.281) 6.399 4.490 ( 2.121 -5.933 -2.798) 6.894 4.575 ( 5.612 -1.826 -1.420) 6.070 4.728 ( 3.658 -1.899 5.854) 7.159 4.963 ( 2.794 -0.118 1.665) 3.255 5.048 ( 11.090 -2.695 2.669) 11.721 5.105 ( 5.055 4.903 -1.264) 7.155 5.311 ( 4.173 -1.691 -2.551) 5.175 5.372 ( 2.670 0.103 0.548) 2.727 5.431 ( -1.406 2.368 -3.164) 4.195 5.670 ( -5.294 -2.016 -0.381) 5.678 6.162 ( 2.309 -3.208 0.063) 3.954 6.410 ( 7.606 -0.678 -2.741) 8.113 6.505 ( 1.263 -4.806 -5.422) 7.355 6.773 ( 6.838 3.089 5.458) 9.278 6.980 ( 3.291 4.557 1.418) 5.797 7.187 ( -0.123 1.980 -2.442) 3.146 7.301 ( -1.308 -3.976 0.209) 4.191 7.512 ( -5.940 -4.207 -0.205) 7.281 8.646 ( -1.357 0.432 -0.045) 1.425 8.759 ( -4.894 3.098 0.242) 5.797 8.925 ( 0.994 -4.623 1.635) 5.004 9.176 ( -11.404 -5.500 1.031) 12.703 9.233 ( 1.776 -1.220 0.872) 2.324 9.362 ( -10.160 0.125 -2.182) 10.392 9.454 ( -5.340 -7.125 -2.514) 9.252 9.580 ( 1.417 -4.984 0.498) 5.206 9.778 ( 3.547 8.761 1.332) 9.545 10.067 ( 5.255 1.871 -2.714) 6.204 10.230 ( 2.244 4.191 0.442) 4.774 10.496 ( 6.736 4.554 0.091) 8.131 11.118 ( -7.958 -1.891 0.658) 8.206 11.177 ( -5.220 -2.723 -0.017) 5.887 11.585 ( -4.254 -0.546 0.068) 4.290 11.651 ( -5.731 0.438 2.020) 6.093 12.880 ( 12.719 -5.092 0.179) 13.702 13.038 ( 3.071 -4.060 0.455) 5.111 13.230 ( -2.059 1.145 -0.010) 2.356 13.317 ( -2.785 -0.460 -0.247) 2.833 13.455 ( 4.582 -2.313 0.150) 5.135 13.645 ( -3.570 -3.039 -0.281) 4.697 13.784 ( -0.230 2.711 -0.771) 2.827 13.947 ( 1.003 0.961 0.764) 1.585 14.308 ( 0.998 4.776 -1.271) 5.042 14.328 ( 2.400 5.916 0.557) 6.409 14.566 ( 7.795 8.827 -0.786) 11.802 15.009 ( -4.478 2.872 0.382) 5.333 15.450 ( -4.087 6.056 -0.265) 7.311 15.567 ( -1.767 -3.004 0.011) 3.485 15.649 ( 5.382 9.954 2.343) 11.556 15.702 ( -1.166 0.317 0.612) 1.355 16.574 ( -0.662 2.672 0.862) 2.885 16.657 ( -1.700 -0.931 -1.131) 2.245 16.685 ( -0.350 -0.626 0.414) 0.828 16.804 ( -4.111 -3.390 -0.852) 5.396 19.202 ( 2.989 -4.345 2.776) 5.960 19.388 ( 2.468 -3.574 -1.020) 4.462 20.049 ( 0.758 2.922 0.182) 3.024 20.480 ( 2.961 4.393 1.839) 5.608 20.997 ( -1.544 -0.826 0.499) 1.821 21.561 ( 0.180 -1.356 0.340) 1.410 22.982 ( -2.858 -1.463 3.483) 4.737 23.432 ( -1.299 -2.122 -1.235) 2.778 26.646 ( 1.163 0.029 -0.102) 1.168 26.744 ( -0.965 0.195 -0.092) 0.989 29.201 ( 4.863 6.695 0.178) 8.277 29.524 ( -0.738 10.252 -0.894) 10.317 29.716 ( -13.579 0.382 -0.772) 13.606 30.603 ( 9.178 -2.769 2.262) 9.850 30.841 ( 0.588 0.879 0.946) 1.419 30.955 ( 0.668 -3.717 2.543) 4.553 31.132 ( -2.699 1.357 18.568) 18.812 31.358 ( 10.377 13.758 -0.215) 17.234 32.145 ( -0.931 -1.089 1.086) 1.799 32.221 ( -1.143 1.386 0.002) 1.796 32.553 ( -2.602 0.184 -0.923) 2.767 32.932 ( -6.096 -4.227 1.620) 7.593 33.486 ( -0.723 1.411 1.046) 1.899 34.007 ( 1.461 -3.093 1.398) 3.695 35.556 ( -0.987 -0.644 -3.614) 3.802 35.831 ( 0.904 1.934 1.599) 2.668 36.031 ( -3.451 -3.411 -8.604) 9.878 36.117 ( -0.286 -1.278 -2.824) 3.113 36.597 ( -3.300 0.490 3.870) 5.109 36.653 ( 0.133 -1.144 -1.235) 1.688 37.072 ( 2.351 5.941 -10.449) 12.248 38.627 ( 6.063 -12.333 -0.303) 13.746 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -14.320 11.463 -0.177) 18.343 0.933 ( -10.048 20.687 4.856) 23.505 1.099 ( -1.506 10.927 4.768) 12.016 1.285 ( -9.742 9.375 -7.440) 15.432 1.387 ( -11.610 27.537 -19.749) 35.820 2.064 ( 4.448 -0.513 6.062) 7.536 2.202 ( 1.016 0.738 -2.690) 2.969 2.303 ( -3.448 12.288 8.956) 15.591 2.382 ( -4.696 -0.864 -4.111) 6.300 2.472 ( -4.214 -0.819 0.758) 4.359 2.504 ( -1.790 -1.305 -1.927) 2.936 2.960 ( -1.607 0.036 -0.553) 1.700 3.024 ( -9.992 -1.206 3.358) 10.610 3.197 ( 3.676 6.839 -1.736) 7.956 3.360 ( 1.947 2.998 -2.612) 4.428 3.431 ( 2.596 -7.708 0.336) 8.140 3.562 ( 2.098 -1.749 6.545) 7.092 3.794 ( 6.941 -5.016 -5.454) 10.153 3.907 ( -3.656 -3.298 -0.382) 4.938 4.031 ( 2.313 -1.344 5.049) 5.714 4.202 ( 1.752 -3.946 2.070) 4.788 4.487 ( 1.643 -5.352 1.257) 5.738 4.592 ( -0.899 -0.073 -1.737) 1.957 4.613 ( 5.672 -5.103 -1.641) 7.804 4.858 ( 3.601 -1.716 6.756) 7.846 4.963 ( -0.404 2.134 -2.835) 3.571 5.119 ( 1.040 2.011 -0.266) 2.280 5.206 ( 4.831 -0.853 -0.963) 5.000 5.334 ( -0.399 2.375 -2.968) 3.822 5.380 ( 1.086 -2.940 -1.671) 3.552 5.494 ( 5.298 -3.845 1.316) 6.677 5.630 ( -3.176 -5.516 0.098) 6.366 6.244 ( 3.867 -2.041 0.628) 4.417 6.488 ( 1.258 -1.888 -7.637) 7.967 6.539 ( 0.344 -8.050 -1.511) 8.198 6.866 ( 5.126 5.173 4.489) 8.555 7.038 ( 7.399 3.279 1.602) 8.251 7.172 ( 3.974 2.590 -4.156) 6.307 7.286 ( -5.847 -3.703 0.703) 6.956 7.479 ( -3.327 -4.106 0.060) 5.285 8.627 ( -2.214 -0.769 0.696) 2.445 8.676 ( -1.172 1.591 -0.591) 2.062 8.941 ( -3.499 -2.795 -1.307) 4.666 9.107 ( -2.995 -3.111 -0.060) 4.319 9.142 ( -12.253 1.967 -0.343) 12.415 9.272 ( 0.007 -0.854 0.416) 0.950 9.467 ( -2.694 -7.767 0.997) 8.282 9.659 ( 1.454 -6.411 -1.485) 6.740 9.750 ( 1.429 6.679 1.756) 7.052 10.028 ( -1.694 6.475 -0.384) 6.704 10.250 ( 3.508 0.194 -2.340) 4.221 10.580 ( 7.724 4.761 0.416) 9.083 11.020 ( -6.559 -1.984 0.731) 6.891 11.150 ( -2.706 -4.283 -0.261) 5.073 11.528 ( -3.716 -1.548 0.298) 4.036 11.584 ( -3.309 0.798 2.157) 4.030 13.088 ( 5.713 -4.812 0.064) 7.470 13.135 ( 4.799 -1.513 -0.053) 5.032 13.193 ( -0.956 0.842 1.313) 1.830 13.268 ( -2.093 1.541 -0.366) 2.625 13.576 ( 5.406 -4.015 -0.302) 6.740 13.634 ( -0.116 -1.712 0.220) 1.730 13.751 ( 0.121 3.169 -0.610) 3.229 13.962 ( 0.107 -0.082 -0.098) 0.166 14.176 ( -8.891 5.384 -0.884) 10.432 14.299 ( -0.677 5.142 2.180) 5.626 14.535 ( 3.960 11.767 -2.463) 12.657 15.005 ( 5.756 2.698 2.052) 6.680 15.320 ( -3.417 6.362 -0.484) 7.238 15.547 ( -3.768 -2.432 -0.326) 4.496 15.636 ( -0.972 3.385 -0.081) 3.523 15.743 ( 12.226 9.703 8.639) 17.840 16.559 ( 1.092 2.522 1.392) 3.081 16.618 ( -3.227 -1.209 -2.276) 4.130 16.682 ( -0.432 -0.139 -0.064) 0.458 16.739 ( -9.155 -4.144 -0.460) 10.060 19.321 ( 3.135 -5.885 1.940) 6.944 19.457 ( 1.774 -4.234 -0.737) 4.650 20.030 ( 0.024 2.654 0.606) 2.722 20.501 ( 4.751 6.138 3.341) 8.450 20.989 ( -0.930 -1.006 0.310) 1.405 21.589 ( 1.316 -1.415 0.326) 1.959 22.967 ( -3.523 -2.197 2.593) 4.895 23.435 ( -0.453 -2.281 -0.271) 2.341 26.670 ( 1.515 -0.380 -0.056) 1.563 26.721 ( -1.258 0.588 -0.091) 1.392 29.207 ( 3.336 6.992 0.344) 7.755 29.464 ( 3.818 7.741 -1.491) 8.759 29.490 ( -7.590 3.658 0.423) 8.436 30.726 ( 4.463 1.159 -0.278) 4.619 30.846 ( 0.582 0.789 0.571) 1.135 31.038 ( 4.191 -1.106 1.193) 4.495 31.183 ( -7.427 -0.727 25.019) 26.109 31.413 ( 11.683 15.137 9.927) 21.545 32.140 ( -1.208 -0.410 0.424) 1.344 32.192 ( -0.687 1.598 1.185) 2.105 32.476 ( -6.561 -1.821 -3.283) 7.559 32.927 ( -3.204 -3.794 8.247) 9.627 33.461 ( -1.585 1.049 0.883) 2.096 34.068 ( 1.064 -3.305 1.046) 3.626 35.538 ( 0.101 -0.560 -1.791) 1.879 35.821 ( -1.243 0.940 0.037) 1.559 35.913 ( -7.584 -5.525 -16.163) 18.689 36.114 ( 0.103 -0.694 -1.183) 1.375 36.569 ( -3.217 0.515 5.971) 6.802 36.661 ( 0.292 -1.215 -0.877) 1.527 36.960 ( 3.676 6.340 -21.616) 22.825 38.852 ( 5.293 -13.320 -0.301) 14.336 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -0.000 23.611 -0.000) 23.611 0.615 ( -0.000 29.774 -0.000) 29.774 0.778 ( -0.000 39.471 -0.000) 39.471 1.068 ( -0.000 5.771 -0.000) 5.771 1.124 ( -0.000 4.025 -0.000) 4.025 2.116 ( -0.000 5.398 -0.000) 5.398 2.129 ( -0.000 13.549 -0.000) 13.549 2.208 ( 0.000 -3.033 0.000) 3.033 2.319 ( 0.000 -0.617 0.000) 0.617 2.452 ( 0.000 -0.042 0.000) 0.042 2.499 ( -0.000 1.489 -0.000) 1.489 2.916 ( -0.000 6.175 -0.000) 6.175 2.986 ( 0.000 -9.797 0.000) 9.797 3.163 ( -0.000 5.032 -0.000) 5.032 3.313 ( -0.000 1.189 -0.000) 1.189 3.584 ( 0.000 -7.216 0.000) 7.216 3.585 ( -0.000 2.497 -0.000) 2.497 3.899 ( 0.000 -3.737 0.000) 3.737 3.913 ( 0.000 -5.213 0.000) 5.213 4.140 ( 0.000 -8.578 0.000) 8.578 4.248 ( -0.000 1.171 -0.000) 1.171 4.545 ( -0.000 2.659 -0.000) 2.659 4.580 ( 0.000 -8.223 0.000) 8.223 4.727 ( 0.000 -4.064 0.000) 4.064 4.888 ( -0.000 4.690 -0.000) 4.690 4.930 ( -0.000 0.549 -0.000) 0.549 5.136 ( 0.000 -1.937 0.000) 1.937 5.180 ( 0.000 -1.547 0.000) 1.547 5.298 ( -0.000 4.419 -0.000) 4.419 5.411 ( 0.000 -1.442 0.000) 1.442 5.596 ( 0.000 -5.046 0.000) 5.046 5.656 ( 0.000 -3.182 0.000) 3.182 6.296 ( 0.000 -0.736 0.000) 0.736 6.445 ( -0.000 0.538 -0.000) 0.538 6.623 ( 0.000 -9.647 0.000) 9.647 6.880 ( -0.000 4.725 -0.000) 4.725 7.090 ( -0.000 7.900 -0.000) 7.900 7.183 ( 0.000 -2.024 0.000) 2.024 7.256 ( 0.000 -2.602 0.000) 2.602 7.482 ( 0.000 -3.102 0.000) 3.102 8.606 ( 0.000 -0.015 0.000) 0.015 8.672 ( 0.000 -0.327 0.000) 0.327 8.888 ( -0.000 1.318 -0.000) 1.318 9.024 ( 0.000 -0.874 0.000) 0.874 9.113 ( 0.000 -1.129 0.000) 1.129 9.274 ( -0.000 0.295 -0.000) 0.295 9.505 ( 0.000 -6.035 0.000) 6.035 9.711 ( -0.000 5.160 -0.000) 5.160 9.728 ( 0.000 -5.606 0.000) 5.606 9.951 ( -0.000 4.894 -0.000) 4.894 10.273 ( 0.000 -0.475 0.000) 0.475 10.609 ( -0.000 4.112 -0.000) 4.112 10.978 ( 0.000 -0.770 0.000) 0.770 11.170 ( 0.000 -3.971 0.000) 3.971 11.518 ( 0.000 -2.099 0.000) 2.099 11.558 ( -0.000 0.839 -0.000) 0.839 13.153 ( 0.000 -1.548 0.000) 1.548 13.172 ( 0.000 -0.014 0.000) 0.014 13.216 ( -0.000 0.383 -0.000) 0.383 13.235 ( 0.000 -0.861 0.000) 0.861 13.637 ( 0.000 -0.280 0.000) 0.280 13.700 ( -0.000 5.565 -0.000) 5.565 13.705 ( 0.000 -4.733 0.000) 4.733 13.869 ( -0.000 2.938 -0.000) 2.938 14.107 ( 0.000 -1.042 0.000) 1.042 14.246 ( -0.000 4.380 -0.000) 4.380 14.438 ( -0.000 13.051 -0.000) 13.051 15.086 ( 0.000 -0.789 0.000) 0.789 15.232 ( -0.000 4.295 -0.000) 4.295 15.522 ( 0.000 -1.434 0.000) 1.434 15.595 ( -0.000 2.341 -0.000) 2.341 15.948 ( -0.000 1.005 -0.000) 1.005 16.540 ( 0.000 -0.548 0.000) 0.548 16.570 ( -0.000 1.746 -0.000) 1.746 16.613 ( -0.000 1.519 -0.000) 1.519 16.685 ( 0.000 -0.183 0.000) 0.183 19.411 ( 0.000 -5.035 0.000) 5.035 19.510 ( 0.000 -3.743 0.000) 3.743 20.006 ( -0.000 2.314 -0.000) 2.314 20.539 ( -0.000 2.557 -0.000) 2.557 20.991 ( 0.000 -0.819 0.000) 0.819 21.624 ( 0.000 -1.522 0.000) 1.522 22.960 ( 0.000 -2.009 0.000) 2.009 23.454 ( 0.000 -1.912 0.000) 1.912 26.693 ( 0.000 -0.013 0.000) 0.013 26.699 ( -0.000 0.161 -0.000) 0.161 29.154 ( -0.000 8.229 -0.000) 8.229 29.368 ( -0.000 0.745 -0.000) 0.745 29.555 ( -0.000 0.140 -0.000) 0.140 30.741 ( -0.000 1.590 -0.000) 1.590 30.848 ( -0.000 0.388 -0.000) 0.388 31.078 ( -0.000 1.117 -0.000) 1.117 31.217 ( 0.000 -1.933 0.000) 1.933 31.524 ( -0.000 7.539 -0.000) 7.539 32.132 ( 0.000 -0.164 0.000) 0.164 32.196 ( -0.000 0.843 -0.000) 0.843 32.364 ( 0.000 -0.669 0.000) 0.669 32.983 ( 0.000 -3.254 0.000) 3.254 33.435 ( -0.000 0.598 -0.000) 0.598 34.110 ( 0.000 -2.569 0.000) 2.569 35.547 ( 0.000 -0.198 0.000) 0.198 35.704 ( 0.000 -0.592 0.000) 0.592 35.818 ( -0.000 1.953 -0.000) 1.953 36.117 ( 0.000 -0.459 0.000) 0.459 36.563 ( 0.000 -0.052 0.000) 0.052 36.673 ( 0.000 -0.901 0.000) 0.901 36.819 ( -0.000 8.258 -0.000) 8.258 39.015 ( 0.000 -10.354 0.000) 10.354 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.104 0.000 1.182) 1.617 1.130 ( -0.701 0.000 -1.595) 1.743 1.648 ( 8.095 -0.000 -3.298) 8.741 1.711 ( 4.313 -0.000 0.764) 4.381 1.875 ( 15.550 -0.000 5.643) 16.543 1.933 ( -8.604 0.000 -0.772) 8.639 2.309 ( 0.245 -0.000 1.107) 1.133 2.379 ( -1.114 0.000 -0.907) 1.436 2.467 ( 1.716 -0.000 -2.535) 3.061 2.682 ( 6.348 -0.000 2.215) 6.723 2.844 ( 2.336 -0.000 -5.978) 6.418 2.874 ( -16.341 0.000 8.075) 18.228 2.919 ( -5.259 0.000 0.979) 5.349 3.235 ( 13.141 -0.000 3.294) 13.548 3.444 ( -0.182 0.000 11.521) 11.523 3.462 ( -3.395 0.000 0.289) 3.407 3.639 ( 5.030 -0.000 -7.421) 8.965 3.771 ( 15.944 -0.000 -13.596) 20.954 3.840 ( -1.216 0.000 -3.183) 3.408 3.914 ( -11.580 0.000 4.541) 12.439 4.133 ( 2.960 -0.000 -5.082) 5.881 4.320 ( -12.061 0.000 10.196) 15.793 4.485 ( 0.027 -0.000 -1.295) 1.296 4.505 ( -9.366 0.000 3.788) 10.103 4.610 ( -3.493 0.000 -1.952) 4.002 4.677 ( 2.370 -0.000 2.262) 3.276 4.748 ( -2.445 0.000 -4.237) 4.891 5.113 ( 0.928 -0.000 -1.720) 1.955 5.218 ( 3.983 -0.000 1.738) 4.346 5.408 ( 4.904 -0.000 1.327) 5.080 5.519 ( 1.774 -0.000 0.773) 1.935 5.736 ( -1.479 0.000 -5.412) 5.611 6.111 ( -3.566 0.000 4.809) 5.987 6.268 ( 1.021 -0.000 2.825) 3.004 6.461 ( -1.316 0.000 -7.967) 8.075 6.637 ( 2.543 -0.000 -1.251) 2.834 7.094 ( 1.174 -0.000 0.068) 1.176 7.191 ( 1.691 -0.000 3.568) 3.948 7.412 ( -5.447 0.000 -1.182) 5.574 7.512 ( -4.730 0.000 0.826) 4.801 8.695 ( 1.042 -0.000 2.919) 3.099 8.821 ( 1.875 -0.000 -2.699) 3.286 8.890 ( -5.055 0.000 3.737) 6.287 9.201 ( -0.477 0.000 -3.337) 3.370 9.353 ( -8.486 0.000 1.899) 8.696 9.448 ( -5.135 0.000 -1.153) 5.263 9.557 ( -1.196 0.000 -0.085) 1.199 9.647 ( -0.986 0.000 -1.804) 2.057 9.828 ( 1.732 -0.000 0.670) 1.857 9.894 ( 4.072 -0.000 -1.324) 4.282 10.147 ( 3.799 -0.000 2.413) 4.501 10.370 ( 9.360 -0.000 -2.327) 9.645 11.267 ( -1.261 0.000 -0.475) 1.347 11.281 ( -0.489 0.000 1.089) 1.194 11.713 ( -0.529 0.000 2.886) 2.934 11.718 ( 0.255 -0.000 -2.219) 2.233 12.801 ( -7.141 0.000 0.730) 7.178 12.814 ( -6.706 0.000 -0.771) 6.750 13.226 ( 0.384 -0.000 2.176) 2.210 13.234 ( 0.300 -0.000 -2.093) 2.114 13.523 ( -1.118 0.000 -0.122) 1.124 13.599 ( -1.426 0.000 0.292) 1.456 13.842 ( 1.470 -0.000 0.494) 1.551 13.917 ( 0.441 -0.000 -0.799) 0.913 14.328 ( 1.079 -0.000 -1.012) 1.479 14.348 ( -0.360 0.000 1.272) 1.322 14.714 ( 9.976 -0.000 -1.486) 10.086 14.804 ( 12.989 -0.000 0.383) 12.995 15.445 ( 5.218 -0.000 2.366) 5.730 15.597 ( 5.615 -0.000 -2.845) 6.295 15.614 ( -1.193 0.000 1.033) 1.578 15.819 ( -0.819 0.000 0.206) 0.845 16.574 ( 2.490 -0.000 0.631) 2.568 16.635 ( -1.075 0.000 -0.934) 1.424 16.693 ( -0.771 0.000 -0.194) 0.795 16.886 ( -2.425 0.000 -1.587) 2.898 19.120 ( -3.215 0.000 0.355) 3.234 19.333 ( -2.847 0.000 -0.883) 2.980 20.120 ( 2.568 -0.000 -3.421) 4.278 20.367 ( 4.236 -0.000 2.210) 4.778 21.021 ( -0.655 0.000 0.017) 0.656 21.560 ( -1.888 0.000 1.099) 2.185 22.970 ( -1.752 0.000 4.875) 5.180 23.433 ( -0.151 0.000 -4.117) 4.120 26.693 ( -0.163 0.000 0.780) 0.797 26.699 ( 0.404 -0.000 -0.971) 1.051 29.334 ( 8.649 -0.000 -5.645) 10.328 29.546 ( 14.252 -0.000 6.654) 15.729 29.896 ( -0.229 0.000 1.798) 1.812 30.286 ( -15.775 0.000 -2.385) 15.954 30.763 ( 4.546 -0.000 5.708) 7.297 30.878 ( 0.155 -0.000 -0.665) 0.683 30.972 ( 2.400 -0.000 5.109) 5.644 31.416 ( 11.128 -0.000 -13.584) 17.560 32.148 ( -1.394 0.000 0.093) 1.397 32.254 ( 1.584 -0.000 -0.645) 1.710 32.595 ( -0.901 0.000 2.386) 2.550 33.018 ( 0.508 -0.000 -9.835) 9.848 33.484 ( 1.678 -0.000 1.364) 2.163 33.969 ( -2.797 0.000 -1.101) 3.006 35.659 ( -2.468 0.000 -4.688) 5.298 35.745 ( 4.149 -0.000 3.265) 5.280 36.094 ( -0.551 0.000 2.845) 2.898 36.124 ( 1.688 -0.000 -10.302) 10.439 36.628 ( 2.191 -0.000 -3.527) 4.152 36.675 ( -0.800 0.000 -0.898) 1.203 37.138 ( -7.782 0.000 25.669) 26.822 38.517 ( -9.604 0.000 -4.591) 10.644 ======================= Grid point 20 (14/93) ======================= q-point: (-0.62 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.283 -0.166 2.598) 2.619 1.102 ( -0.411 0.868 -1.742) 1.989 1.566 ( -0.047 1.096 -3.165) 3.350 1.763 ( 3.659 -7.306 -7.242) 10.919 2.009 ( 3.534 7.000 3.231) 8.481 2.107 ( -0.362 -1.145 5.428) 5.559 2.286 ( 2.789 5.937 -0.958) 6.629 2.396 ( 1.338 0.260 1.279) 1.869 2.420 ( -1.613 1.167 2.329) 3.064 2.609 ( -12.152 0.815 6.978) 14.037 2.704 ( -4.724 -2.351 0.317) 5.286 2.927 ( 4.586 -3.370 -2.859) 6.368 2.952 ( 7.441 -4.780 -2.403) 9.164 3.316 ( -0.556 12.420 -7.942) 14.753 3.405 ( 3.063 3.637 -3.809) 6.093 3.537 ( 0.013 2.952 5.251) 6.024 3.590 ( 0.737 4.360 9.118) 10.134 3.703 ( -5.249 4.147 -3.535) 7.566 3.819 ( -9.463 -10.414 4.664) 14.824 3.983 ( 7.439 -13.502 -11.404) 19.176 4.120 ( -3.716 0.180 1.671) 4.079 4.200 ( -9.681 -0.229 0.217) 9.686 4.464 ( 1.985 0.779 -0.392) 2.168 4.488 ( 0.109 0.323 2.235) 2.261 4.561 ( -0.396 -2.540 3.767) 4.561 4.770 ( 7.886 0.466 3.072) 8.476 4.828 ( 8.878 -2.275 0.733) 9.194 5.149 ( 3.831 -0.529 -1.689) 4.220 5.248 ( 1.152 1.890 -0.368) 2.244 5.452 ( 1.029 3.388 -0.634) 3.597 5.533 ( 0.952 1.635 0.200) 1.903 5.702 ( -0.754 -2.341 -5.423) 5.955 6.093 ( -1.645 0.142 3.198) 3.599 6.303 ( 1.407 -1.227 0.858) 2.055 6.426 ( 2.665 -0.731 -7.711) 8.191 6.709 ( 6.553 0.928 1.545) 6.796 7.091 ( 0.533 3.833 1.862) 4.294 7.229 ( 0.252 -0.050 1.118) 1.147 7.300 ( -4.024 2.136 -0.432) 4.576 7.465 ( -5.258 -4.758 0.112) 7.092 8.717 ( 0.477 1.599 1.615) 2.322 8.795 ( -2.380 -1.152 -0.549) 2.700 8.861 ( -3.460 -0.771 4.423) 5.668 9.209 ( -10.973 -0.770 2.130) 11.204 9.213 ( 3.400 -0.287 -3.364) 4.791 9.348 ( -7.424 -4.082 -3.495) 9.165 9.495 ( -5.443 -1.015 -0.623) 5.572 9.562 ( -6.845 0.060 -0.379) 6.856 9.903 ( 6.488 2.851 0.579) 7.110 9.973 ( 8.006 0.535 -1.932) 8.253 10.250 ( 6.709 2.230 2.735) 7.580 10.479 ( 5.146 -0.625 -2.074) 5.584 11.201 ( -6.729 -0.346 -0.253) 6.742 11.249 ( -5.011 0.007 0.976) 5.105 11.664 ( -3.317 1.487 -1.188) 3.824 11.707 ( -4.089 -1.316 2.428) 4.934 12.698 ( 3.367 4.707 0.196) 5.791 12.829 ( -0.630 -7.844 -0.030) 7.870 13.226 ( 0.458 -0.786 -1.947) 2.149 13.265 ( 0.757 -1.872 2.116) 2.925 13.494 ( 0.156 3.877 0.129) 3.882 13.603 ( -1.012 -3.068 -0.473) 3.265 13.869 ( 1.380 2.750 0.138) 3.080 13.917 ( 0.474 -1.879 0.065) 1.939 14.346 ( 1.756 1.512 -0.218) 2.327 14.382 ( 4.610 0.088 -0.570) 4.646 14.747 ( 8.623 13.038 -0.307) 15.635 15.015 ( 2.318 -7.579 -0.158) 7.927 15.506 ( 0.355 0.035 2.119) 2.149 15.600 ( -0.798 0.278 0.071) 0.848 15.663 ( 3.476 -0.645 -1.145) 3.716 15.802 ( 2.105 3.619 -0.539) 4.221 16.615 ( 1.241 -0.292 0.608) 1.413 16.623 ( -0.465 -1.827 -0.106) 1.888 16.670 ( -1.332 0.255 -1.037) 1.707 16.830 ( -3.512 -0.025 -0.867) 3.618 19.098 ( -0.936 -0.708 2.157) 2.455 19.304 ( -0.331 -0.985 -1.451) 1.784 20.126 ( 2.090 2.402 -2.086) 3.807 20.457 ( 4.711 -0.420 1.865) 5.084 21.005 ( -1.646 -0.235 0.269) 1.685 21.541 ( -1.527 -0.377 1.147) 1.947 22.966 ( -3.274 -0.720 5.285) 6.259 23.407 ( -0.752 -1.296 -4.036) 4.305 26.673 ( 0.304 2.383 -0.058) 2.403 26.722 ( -0.038 -2.267 -0.158) 2.273 29.376 ( 7.025 9.062 -4.250) 12.228 29.718 ( -4.173 -8.345 0.763) 9.361 29.893 ( -0.289 13.681 1.619) 13.779 30.178 ( 2.730 -14.357 4.119) 15.184 30.833 ( 1.633 0.263 1.951) 2.558 30.881 ( -0.057 -0.684 -0.177) 0.709 31.090 ( 5.031 1.338 10.720) 11.917 31.503 ( 10.934 4.592 -7.071) 13.807 32.127 ( -1.479 -0.446 0.539) 1.636 32.264 ( 0.456 0.649 -0.541) 0.960 32.595 ( -0.685 0.691 2.619) 2.794 32.935 ( -5.114 -2.255 -8.011) 9.768 33.510 ( 0.908 0.415 0.462) 1.100 33.937 ( -1.031 -0.613 0.187) 1.214 35.595 ( -1.702 0.002 -4.744) 5.040 35.822 ( 3.582 0.336 1.520) 3.906 36.063 ( -1.322 -0.956 -11.132) 11.251 36.106 ( -0.464 -0.358 1.469) 1.581 36.626 ( -0.569 0.126 -0.784) 0.977 36.655 ( -1.444 0.005 0.387) 1.495 37.190 ( -0.914 2.126 15.367) 15.540 38.380 ( -4.447 -2.709 -4.945) 7.181 ======================= Grid point 21 (15/93) ======================= q-point: (-0.50 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.682 1.218 0.820) 1.619 1.098 ( 0.761 0.816 -0.051) 1.117 1.664 ( 2.903 -2.402 3.577) 5.195 1.785 ( -4.753 9.613 1.935) 10.898 1.904 ( 1.839 8.699 -2.150) 9.148 1.987 ( -2.578 0.568 -3.136) 4.099 2.239 ( -0.562 10.125 0.484) 10.153 2.399 ( -0.689 -2.630 4.331) 5.113 2.411 ( -0.632 4.636 -0.903) 4.765 2.618 ( 1.077 -0.315 -3.150) 3.344 2.686 ( -4.674 -12.588 4.324) 14.107 2.973 ( -0.466 6.951 -0.698) 7.001 3.113 ( 5.817 2.995 -5.098) 8.295 3.163 ( -6.728 2.668 -2.180) 7.559 3.202 ( 4.514 7.081 -7.680) 11.379 3.529 ( 2.406 3.590 3.143) 5.343 3.627 ( -1.917 -2.501 0.556) 3.200 3.682 ( 3.182 3.918 3.352) 6.059 3.844 ( -5.195 -10.368 6.721) 13.403 3.984 ( -8.084 0.466 -5.738) 9.924 4.080 ( -7.236 -1.285 6.975) 10.132 4.191 ( 6.967 -14.117 -7.457) 17.419 4.429 ( -3.825 -1.360 0.160) 4.063 4.562 ( 6.948 1.173 2.501) 7.477 4.687 ( 4.741 -2.688 5.806) 7.963 4.920 ( 4.307 -2.634 4.621) 6.844 5.003 ( 10.328 -1.668 -0.420) 10.470 5.192 ( 3.876 1.227 -2.833) 4.955 5.280 ( 4.529 -1.232 -0.221) 4.699 5.368 ( -4.910 2.710 -3.405) 6.560 5.507 ( -1.508 3.344 -0.770) 3.749 5.661 ( -3.033 0.001 -1.904) 3.581 6.112 ( 1.995 -1.585 0.932) 2.713 6.350 ( 0.681 -4.221 -0.502) 4.305 6.452 ( 4.244 -1.047 -6.711) 8.009 6.830 ( 8.103 2.391 4.264) 9.463 7.071 ( -0.527 2.611 3.047) 4.047 7.206 ( -0.245 1.665 -1.368) 2.169 7.277 ( 1.728 0.530 -1.479) 2.336 7.424 ( -5.418 -4.154 -0.038) 6.827 8.674 ( -2.610 2.333 -0.113) 3.502 8.805 ( -4.539 0.310 0.737) 4.608 8.841 ( 1.423 -2.681 4.299) 5.263 9.072 ( -9.541 -3.600 1.532) 10.312 9.236 ( -1.322 -0.356 0.881) 1.628 9.284 ( -1.168 -6.140 -7.637) 9.869 9.385 ( -9.442 0.149 -0.461) 9.455 9.497 ( -2.388 -3.459 0.810) 4.281 9.943 ( 3.975 7.274 0.747) 8.322 10.090 ( 8.032 0.398 -2.118) 8.316 10.313 ( 1.727 3.814 1.819) 4.565 10.542 ( 5.379 0.078 -1.343) 5.544 11.082 ( -8.562 -1.621 0.211) 8.716 11.145 ( -7.741 -0.464 0.556) 7.775 11.580 ( -5.016 -0.037 -1.564) 5.254 11.650 ( -5.813 -0.432 3.196) 6.648 12.816 ( 11.379 -1.178 0.135) 11.441 12.932 ( 4.571 -5.893 0.143) 7.460 13.227 ( -0.022 -0.568 -1.727) 1.818 13.311 ( 1.603 -0.535 1.771) 2.448 13.465 ( 0.920 2.766 0.216) 2.923 13.607 ( -1.102 -1.916 -0.561) 2.280 13.847 ( 0.850 3.173 -0.300) 3.298 13.957 ( 1.686 -0.039 0.630) 1.800 14.362 ( 2.088 1.829 0.753) 2.876 14.421 ( 0.925 2.830 -1.850) 3.505 14.753 ( 5.821 8.942 -0.322) 10.674 15.024 ( -3.891 -0.888 0.484) 4.020 15.506 ( -1.766 -1.131 1.164) 2.398 15.566 ( -1.063 3.756 -0.302) 3.915 15.698 ( 0.761 -0.220 -0.533) 0.955 15.822 ( 6.680 6.481 0.098) 9.307 16.613 ( -0.857 0.262 1.386) 1.651 16.636 ( -1.943 -0.445 -1.595) 2.553 16.659 ( 1.261 -1.283 0.016) 1.800 16.769 ( -3.762 -0.651 -1.322) 4.040 19.129 ( 0.782 -2.730 2.757) 3.958 19.323 ( 1.362 -2.693 -1.436) 3.342 20.117 ( 1.540 3.363 -0.988) 3.829 20.537 ( 4.696 1.677 1.592) 5.234 20.981 ( -1.945 -0.680 0.430) 2.104 21.537 ( -0.431 -0.980 0.865) 1.377 22.945 ( -4.736 -1.827 4.693) 6.913 23.386 ( -1.126 -2.181 -2.891) 3.792 26.662 ( 0.879 1.508 -0.079) 1.747 26.733 ( -0.619 -1.278 -0.137) 1.427 29.355 ( 4.360 8.701 -1.742) 9.887 29.661 ( -8.400 -3.220 -0.967) 9.048 29.712 ( -6.620 5.826 -1.414) 8.931 30.516 ( 16.207 -5.359 6.746) 18.355 30.856 ( 1.046 0.664 0.756) 1.451 30.893 ( 0.414 -2.016 0.958) 2.270 31.189 ( 1.118 3.398 11.885) 12.411 31.589 ( 11.675 8.896 -1.585) 14.763 32.120 ( -1.327 -1.266 1.311) 2.254 32.250 ( -0.406 1.421 -0.364) 1.522 32.577 ( -2.038 2.393 0.187) 3.148 32.829 ( -7.100 -5.898 -3.245) 9.785 33.507 ( -0.614 0.758 -0.176) 0.991 33.952 ( 0.577 -2.220 0.948) 2.482 35.550 ( -0.592 -0.045 -3.689) 3.737 35.863 ( 1.663 1.348 0.251) 2.156 35.963 ( -3.935 -2.963 -12.926) 13.833 36.106 ( -0.641 -0.097 0.884) 1.096 36.602 ( -2.198 0.118 0.851) 2.360 36.639 ( -1.116 -0.440 0.612) 1.347 37.222 ( 1.974 7.791 5.402) 9.684 38.394 ( 1.153 -10.290 -2.518) 10.657 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -4.074 5.557 0.809) 6.938 1.083 ( -0.162 2.428 -0.291) 2.451 1.509 ( -8.256 13.662 -1.975) 16.085 1.533 ( -4.353 24.316 9.382) 26.424 1.885 ( -1.085 14.581 -3.544) 15.045 2.053 ( 3.220 0.980 -4.877) 5.926 2.143 ( 5.790 -1.223 -5.891) 8.350 2.374 ( 0.364 3.140 1.082) 3.341 2.420 ( -2.045 -1.094 1.596) 2.815 2.553 ( -8.574 3.024 0.162) 9.093 2.639 ( -0.046 12.445 2.982) 12.798 2.891 ( -1.860 -4.317 1.342) 4.889 3.018 ( -2.240 2.746 -1.849) 3.997 3.154 ( 1.148 -10.756 -5.774) 12.262 3.325 ( 8.092 4.141 0.088) 9.091 3.537 ( 1.109 6.562 3.856) 7.692 3.591 ( -3.923 3.525 2.236) 5.728 3.713 ( 4.556 -0.481 -5.166) 6.905 3.836 ( -7.266 -4.674 0.978) 8.695 3.958 ( 1.835 -6.040 4.343) 7.662 4.079 ( -1.139 -7.747 2.692) 8.280 4.383 ( 3.968 -9.360 -2.591) 10.491 4.419 ( -1.051 -7.134 -0.648) 7.240 4.635 ( 1.998 1.436 0.877) 2.612 4.824 ( 5.784 -1.310 5.684) 8.215 4.977 ( -0.675 -0.253 0.656) 0.974 5.150 ( 2.697 -0.748 -1.420) 3.139 5.229 ( 0.663 0.002 1.832) 1.948 5.267 ( -0.210 -3.421 -4.917) 5.994 5.356 ( 2.778 -0.389 -2.437) 3.716 5.465 ( 1.897 0.981 1.578) 2.655 5.590 ( -4.165 0.493 -0.581) 4.234 6.200 ( 5.241 -2.611 1.105) 5.959 6.386 ( -2.311 -6.899 -1.835) 7.504 6.473 ( 1.621 -0.166 -4.269) 4.569 6.956 ( 6.710 3.413 5.385) 9.256 7.076 ( -0.034 -0.773 3.200) 3.292 7.190 ( 2.434 0.760 -4.877) 5.503 7.276 ( -0.128 2.303 -1.294) 2.645 7.398 ( -2.042 -3.526 0.165) 4.077 8.623 ( -1.927 0.517 0.522) 2.063 8.716 ( -3.422 2.368 -0.034) 4.161 8.909 ( 1.406 -0.626 1.384) 2.070 9.021 ( -2.857 -5.042 0.397) 5.809 9.181 ( -11.744 2.178 -0.779) 11.970 9.233 ( -2.094 -4.356 0.566) 4.866 9.324 ( 0.705 -5.342 -1.835) 5.692 9.533 ( 0.013 -5.895 -0.540) 5.920 9.904 ( 0.665 8.363 0.970) 8.446 10.164 ( 4.612 5.230 -1.608) 7.156 10.265 ( -1.436 2.831 0.073) 3.175 10.639 ( 6.542 0.451 -0.385) 6.569 10.978 ( -6.818 -2.230 0.768) 7.214 11.065 ( -4.246 -3.562 -0.069) 5.543 11.500 ( -4.233 -1.122 -0.775) 4.447 11.591 ( -3.787 -0.118 2.395) 4.483 13.003 ( 7.331 -3.500 -0.427) 8.135 13.065 ( 4.514 -4.581 0.669) 6.466 13.217 ( 0.754 1.601 -0.753) 1.923 13.322 ( 0.298 3.107 0.847) 3.234 13.508 ( 4.459 -2.367 0.266) 5.055 13.607 ( -0.551 -1.685 -0.345) 1.806 13.841 ( 3.515 5.073 -0.103) 6.172 13.972 ( 0.586 0.619 -0.160) 0.867 14.291 ( -8.704 5.618 -2.010) 10.552 14.378 ( 0.061 3.212 2.526) 4.086 14.729 ( 1.989 7.160 -1.789) 7.643 15.018 ( 2.567 -0.150 1.405) 2.930 15.468 ( -1.716 5.879 -0.095) 6.125 15.507 ( -2.195 0.391 -0.377) 2.261 15.684 ( -0.947 1.706 -0.351) 1.983 15.893 ( 8.869 5.751 2.740) 10.920 16.590 ( -3.560 -0.938 -2.166) 4.271 16.609 ( 0.789 1.975 1.688) 2.716 16.675 ( -0.234 -0.443 0.151) 0.524 16.706 ( -3.743 -0.325 -1.724) 4.134 19.205 ( 1.588 -5.393 1.956) 5.953 19.371 ( 1.164 -4.087 -0.927) 4.350 20.097 ( 0.821 3.707 -0.250) 3.805 20.590 ( 3.798 3.329 1.438) 5.251 20.966 ( -1.246 -1.134 0.345) 1.719 21.557 ( 0.701 -1.632 0.474) 1.838 22.915 ( -4.531 -2.721 3.019) 6.087 23.383 ( -0.650 -2.777 -1.295) 3.133 26.672 ( 1.533 0.527 -0.011) 1.621 26.725 ( -1.296 -0.272 -0.138) 1.332 29.340 ( 4.023 6.144 -0.318) 7.351 29.538 ( -8.747 2.040 -0.824) 9.019 29.573 ( -1.947 3.187 -0.964) 3.858 30.756 ( 7.049 1.713 1.163) 7.347 30.860 ( 0.180 0.628 0.048) 0.655 30.996 ( 8.363 -2.704 2.655) 9.182 31.207 ( -4.135 2.729 11.853) 12.847 31.681 ( 11.811 11.950 3.443) 17.151 32.121 ( -1.417 -1.388 1.440) 2.451 32.226 ( -0.168 1.803 0.095) 1.813 32.464 ( -7.654 0.608 -4.176) 8.740 32.824 ( -1.622 -6.393 2.916) 7.212 33.478 ( -1.598 0.765 -0.446) 1.827 33.999 ( 0.775 -3.451 0.842) 3.636 35.534 ( 0.615 0.066 -1.482) 1.606 35.803 ( -5.899 -1.863 -10.266) 11.986 35.887 ( -0.106 1.148 -2.462) 2.719 36.104 ( -0.087 -0.329 0.006) 0.341 36.573 ( -1.816 0.064 1.118) 2.134 36.638 ( -0.421 -1.177 0.320) 1.290 37.161 ( 1.613 12.377 -1.456) 12.566 38.557 ( 2.960 -15.813 -0.555) 16.097 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.000 14.226 -0.000) 14.226 1.031 ( -0.000 8.121 -0.000) 8.121 1.277 ( -0.000 17.077 -0.000) 17.077 1.325 ( -0.000 19.453 -0.000) 19.453 1.519 ( -0.000 35.057 -0.000) 35.057 2.136 ( 0.000 -2.097 0.000) 2.097 2.168 ( 0.000 -3.921 0.000) 3.921 2.343 ( -0.000 4.025 -0.000) 4.025 2.417 ( 0.000 -1.198 0.000) 1.198 2.471 ( 0.000 -0.182 0.000) 0.182 2.499 ( -0.000 18.677 -0.000) 18.677 2.923 ( -0.000 2.634 -0.000) 2.634 2.942 ( 0.000 -5.383 0.000) 5.383 3.328 ( -0.000 9.278 -0.000) 9.278 3.330 ( 0.000 -15.515 0.000) 15.515 3.441 ( -0.000 10.998 -0.000) 10.998 3.547 ( 0.000 -3.618 0.000) 3.618 3.804 ( 0.000 -5.671 0.000) 5.671 3.810 ( 0.000 -4.422 0.000) 4.422 4.030 ( 0.000 -3.391 0.000) 3.391 4.195 ( 0.000 -8.407 0.000) 8.407 4.441 ( 0.000 -5.384 0.000) 5.384 4.525 ( 0.000 -9.452 0.000) 9.452 4.643 ( -0.000 0.578 -0.000) 0.578 4.924 ( 0.000 -1.058 0.000) 1.058 4.942 ( -0.000 1.688 -0.000) 1.688 5.111 ( 0.000 -0.987 0.000) 0.987 5.234 ( -0.000 4.809 -0.000) 4.809 5.342 ( 0.000 -1.718 0.000) 1.718 5.345 ( 0.000 -3.354 0.000) 3.354 5.515 ( 0.000 -1.160 0.000) 1.160 5.570 ( 0.000 -5.018 0.000) 5.018 6.282 ( 0.000 -0.551 0.000) 0.551 6.427 ( 0.000 -10.128 0.000) 10.128 6.461 ( -0.000 0.929 -0.000) 0.929 6.990 ( -0.000 5.801 -0.000) 5.801 7.122 ( 0.000 -4.272 0.000) 4.272 7.208 ( 0.000 -1.659 0.000) 1.659 7.225 ( -0.000 5.144 -0.000) 5.144 7.413 ( 0.000 -3.181 0.000) 3.181 8.606 ( -0.000 0.122 -0.000) 0.122 8.675 ( -0.000 0.859 -0.000) 0.859 8.935 ( -0.000 3.394 -0.000) 3.394 9.013 ( 0.000 -0.031 0.000) 0.031 9.054 ( 0.000 -4.707 0.000) 4.707 9.259 ( 0.000 -2.152 0.000) 2.152 9.384 ( 0.000 -6.333 0.000) 6.333 9.594 ( 0.000 -6.996 0.000) 6.996 9.833 ( -0.000 7.400 -0.000) 7.400 10.100 ( -0.000 9.774 -0.000) 9.774 10.261 ( 0.000 -0.924 0.000) 0.924 10.684 ( -0.000 2.681 -0.000) 2.681 10.946 ( 0.000 -2.453 0.000) 2.453 11.075 ( 0.000 -5.142 0.000) 5.142 11.476 ( 0.000 -1.846 0.000) 1.846 11.569 ( -0.000 0.109 -0.000) 0.109 13.089 ( 0.000 -3.634 0.000) 3.634 13.149 ( 0.000 -4.462 0.000) 4.462 13.207 ( -0.000 2.464 -0.000) 2.464 13.290 ( -0.000 3.816 -0.000) 3.816 13.607 ( 0.000 -4.638 0.000) 4.638 13.610 ( 0.000 -1.968 0.000) 1.968 13.837 ( -0.000 6.929 -0.000) 6.929 13.939 ( -0.000 3.636 -0.000) 3.636 14.132 ( -0.000 3.386 -0.000) 3.386 14.341 ( -0.000 4.927 -0.000) 4.927 14.667 ( -0.000 8.853 -0.000) 8.853 15.066 ( 0.000 -1.156 0.000) 1.156 15.369 ( -0.000 9.226 -0.000) 9.226 15.489 ( 0.000 -1.578 0.000) 1.578 15.649 ( -0.000 2.763 -0.000) 2.763 15.975 ( -0.000 1.695 -0.000) 1.695 16.535 ( -0.000 0.161 -0.000) 0.161 16.616 ( -0.000 2.756 -0.000) 2.756 16.642 ( -0.000 1.164 -0.000) 1.164 16.678 ( 0.000 -0.502 0.000) 0.502 19.289 ( 0.000 -6.743 0.000) 6.743 19.422 ( 0.000 -4.756 0.000) 4.756 20.067 ( -0.000 3.694 -0.000) 3.694 20.599 ( -0.000 3.246 -0.000) 3.246 20.970 ( 0.000 -1.291 0.000) 1.291 21.587 ( 0.000 -2.113 0.000) 2.113 22.910 ( 0.000 -2.815 0.000) 2.815 23.403 ( 0.000 -3.032 0.000) 3.032 26.693 ( -0.000 0.011 -0.000) 0.011 26.703 ( -0.000 0.216 -0.000) 0.216 29.345 ( -0.000 10.048 -0.000) 10.048 29.386 ( -0.000 1.028 -0.000) 1.028 29.557 ( 0.000 -0.008 0.000) 0.008 30.782 ( -0.000 2.424 -0.000) 2.424 30.857 ( -0.000 0.407 -0.000) 0.407 31.113 ( -0.000 2.503 -0.000) 2.503 31.181 ( 0.000 -1.701 0.000) 1.701 31.711 ( -0.000 11.023 -0.000) 11.023 32.122 ( 0.000 -0.997 0.000) 0.997 32.220 ( -0.000 1.480 -0.000) 1.480 32.352 ( 0.000 -0.498 0.000) 0.498 32.893 ( 0.000 -5.840 0.000) 5.840 33.451 ( -0.000 0.881 -0.000) 0.881 34.045 ( 0.000 -3.797 0.000) 3.797 35.544 ( 0.000 -0.064 0.000) 0.064 35.695 ( 0.000 -0.302 0.000) 0.302 35.862 ( -0.000 2.380 -0.000) 2.380 36.108 ( 0.000 -0.442 0.000) 0.442 36.562 ( 0.000 -0.047 0.000) 0.047 36.650 ( 0.000 -1.453 0.000) 1.453 37.036 ( -0.000 13.277 -0.000) 13.277 38.745 ( 0.000 -16.388 0.000) 16.388 ======================= Grid point 28 (18/93) ======================= q-point: (-0.62 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.344 -0.000 1.203) 1.804 1.095 ( 0.407 -0.000 -1.339) 1.400 1.645 ( 14.603 -0.000 -2.344) 14.790 1.788 ( 3.500 -0.000 -1.089) 3.666 2.013 ( -7.326 0.000 -0.993) 7.393 2.100 ( -1.300 0.000 2.150) 2.512 2.383 ( -15.894 0.000 9.876) 18.712 2.392 ( 2.321 -0.000 1.926) 3.016 2.406 ( -1.072 0.000 3.256) 3.428 2.506 ( 5.974 -0.000 0.100) 5.974 2.600 ( -4.121 0.000 -1.887) 4.532 3.020 ( 8.449 -0.000 -6.305) 10.542 3.079 ( 12.471 -0.000 0.980) 12.510 3.331 ( 3.829 -0.000 -11.354) 11.982 3.410 ( -15.630 0.000 1.014) 15.663 3.436 ( -5.449 0.000 3.287) 6.364 3.643 ( 1.476 -0.000 -2.887) 3.243 3.664 ( -0.648 0.000 4.214) 4.263 3.768 ( 1.803 -0.000 -4.119) 4.497 3.970 ( 9.358 -0.000 -2.525) 9.692 4.001 ( -8.037 0.000 -5.572) 9.779 4.072 ( -9.315 0.000 10.554) 14.077 4.417 ( -5.526 0.000 -0.238) 5.531 4.598 ( 4.533 -0.000 3.572) 5.772 4.638 ( 8.075 -0.000 6.711) 10.499 4.892 ( 4.197 -0.000 4.703) 6.304 4.986 ( 9.952 -0.000 -1.050) 10.007 5.191 ( 2.981 -0.000 -1.544) 3.357 5.263 ( 2.181 -0.000 -2.567) 3.368 5.416 ( -6.412 0.000 -4.466) 7.814 5.546 ( -0.360 0.000 1.138) 1.194 5.655 ( -0.532 0.000 -3.200) 3.244 6.100 ( 0.556 -0.000 1.577) 1.672 6.300 ( 0.021 -0.000 -1.235) 1.235 6.443 ( 4.469 -0.000 -5.864) 7.373 6.855 ( 8.255 -0.000 3.521) 8.974 7.085 ( -5.073 0.000 3.546) 6.190 7.242 ( 0.818 -0.000 -1.710) 1.895 7.283 ( 2.121 -0.000 -1.209) 2.441 7.376 ( -3.332 0.000 0.324) 3.347 8.713 ( -4.189 0.000 -1.711) 4.525 8.776 ( 2.561 -0.000 2.177) 3.361 8.828 ( -3.709 0.000 7.089) 8.000 9.053 ( -8.817 0.000 0.500) 8.831 9.174 ( -6.959 0.000 -4.460) 8.265 9.262 ( 3.620 -0.000 -3.405) 4.970 9.394 ( -6.501 0.000 -0.308) 6.509 9.455 ( -5.414 0.000 0.146) 5.416 10.028 ( 6.534 -0.000 -0.496) 6.553 10.085 ( 5.452 -0.000 -0.029) 5.452 10.357 ( 4.546 -0.000 1.941) 4.943 10.530 ( 3.073 -0.000 -1.869) 3.596 11.064 ( -9.220 0.000 0.015) 9.220 11.144 ( -8.177 0.000 0.527) 8.194 11.581 ( -5.478 0.000 -2.813) 6.158 11.644 ( -5.823 0.000 4.232) 7.198 12.833 ( 7.705 -0.000 1.955) 7.949 12.842 ( 8.689 -0.000 -1.799) 8.873 13.221 ( 1.480 -0.000 -2.114) 2.580 13.304 ( 2.650 -0.000 2.234) 3.466 13.511 ( -0.941 0.000 0.539) 1.084 13.574 ( -0.471 0.000 -0.775) 0.907 13.885 ( 0.729 -0.000 -0.007) 0.729 13.952 ( 2.685 -0.000 0.484) 2.728 14.380 ( 2.301 -0.000 0.728) 2.414 14.448 ( 2.025 -0.000 -2.098) 2.916 14.860 ( -0.579 0.000 -0.608) 0.840 14.999 ( -0.021 0.000 0.939) 0.939 15.496 ( -2.605 0.000 1.922) 3.237 15.604 ( 1.347 -0.000 -0.930) 1.637 15.696 ( 1.279 -0.000 0.299) 1.313 15.889 ( 6.559 -0.000 -1.450) 6.717 16.600 ( -0.611 0.000 0.902) 1.089 16.634 ( -1.309 0.000 -1.259) 1.816 16.655 ( 1.770 -0.000 0.137) 1.775 16.763 ( -3.913 0.000 -1.180) 4.087 19.102 ( -0.132 0.000 2.790) 2.793 19.295 ( 1.041 -0.000 -1.664) 1.963 20.154 ( 1.404 -0.000 -1.502) 2.056 20.552 ( 5.583 -0.000 1.630) 5.816 20.974 ( -2.096 0.000 0.378) 2.130 21.527 ( -0.694 0.000 1.104) 1.304 22.925 ( -5.255 0.000 5.043) 7.284 23.363 ( -0.888 0.000 -3.509) 3.620 26.696 ( -0.227 0.000 0.465) 0.517 26.702 ( 0.487 -0.000 -0.684) 0.840 29.504 ( 6.064 -0.000 -5.914) 8.471 29.554 ( -8.492 0.000 1.656) 8.652 29.789 ( -12.731 0.000 -1.057) 12.774 30.451 ( 23.788 -0.000 7.778) 25.027 30.864 ( 1.570 -0.000 0.908) 1.814 30.874 ( -0.258 0.000 -0.252) 0.361 31.228 ( 1.470 -0.000 11.394) 11.489 31.680 ( 12.278 -0.000 -2.549) 12.540 32.105 ( -1.515 0.000 1.113) 1.880 32.266 ( -0.213 0.000 -0.277) 0.350 32.622 ( 0.835 -0.000 4.047) 4.132 32.746 ( -10.339 0.000 -7.946) 13.040 33.515 ( -0.505 0.000 -0.779) 0.928 33.929 ( 0.149 -0.000 0.716) 0.731 35.551 ( -0.475 0.000 -3.711) 3.741 35.880 ( 2.757 -0.000 0.077) 2.758 35.930 ( -4.275 0.000 -13.640) 14.294 36.106 ( -1.095 0.000 2.137) 2.401 36.603 ( -2.368 0.000 1.192) 2.651 36.634 ( -1.308 0.000 0.089) 1.311 37.311 ( 3.308 -0.000 10.880) 11.372 38.281 ( -1.662 0.000 -4.688) 4.974 ======================= Grid point 30 (19/93) ======================= q-point: (-0.50 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.292 2.201 -0.189) 2.228 1.107 ( 0.196 -0.039 -0.475) 0.515 1.720 ( -3.466 8.368 -0.535) 9.074 1.943 ( 9.717 1.925 -1.770) 10.063 1.954 ( 6.103 -4.326 -4.664) 8.816 1.998 ( -2.363 16.001 8.534) 18.288 2.313 ( -3.304 -2.455 10.440) 11.223 2.382 ( -0.796 3.658 -1.860) 4.181 2.403 ( -0.425 0.965 -1.084) 1.512 2.529 ( -2.087 -5.041 -2.300) 5.921 2.620 ( 1.506 -5.063 -0.740) 5.334 2.968 ( -13.822 -1.900 -2.890) 14.248 3.130 ( 2.869 17.403 3.147) 17.916 3.221 ( 3.717 13.107 -7.667) 15.633 3.371 ( 10.466 -0.016 -4.205) 11.279 3.524 ( -0.534 -15.047 2.318) 15.234 3.616 ( 0.842 0.674 0.814) 1.351 3.669 ( 0.647 2.315 2.112) 3.200 3.766 ( -3.616 -5.345 -1.458) 6.616 3.918 ( -0.040 -3.984 -2.665) 4.793 3.965 ( -7.059 4.075 4.890) 9.505 4.157 ( 5.031 -9.536 -1.582) 10.897 4.349 ( -3.390 -2.013 -0.011) 3.942 4.655 ( 1.406 0.573 2.666) 3.068 4.811 ( 6.457 -0.218 7.048) 9.561 4.963 ( 0.370 -0.803 5.102) 5.178 5.101 ( 4.558 -2.329 -0.865) 5.192 5.212 ( -8.223 0.021 -7.573) 11.179 5.222 ( 1.709 -1.713 -2.416) 3.420 5.353 ( 5.323 -0.642 -1.002) 5.454 5.534 ( 0.401 4.010 0.834) 4.115 5.608 ( -3.870 0.666 -0.744) 3.997 6.141 ( 2.709 -2.702 0.428) 3.850 6.297 ( -1.017 -1.981 -1.359) 2.609 6.471 ( 2.198 -0.089 -3.294) 3.961 6.995 ( 6.722 0.837 3.613) 7.677 7.034 ( -4.046 -1.841 3.565) 5.699 7.225 ( 0.359 1.301 -4.206) 4.417 7.317 ( 0.309 1.950 -0.425) 2.020 7.353 ( 1.301 -1.563 0.014) 2.034 8.643 ( -2.502 1.054 -0.486) 2.758 8.754 ( -3.906 0.963 2.268) 4.618 8.914 ( 6.687 0.686 3.588) 7.620 8.949 ( -4.109 -1.273 -0.130) 4.304 9.109 ( -1.876 -5.738 -1.669) 6.263 9.223 ( -7.999 1.718 -1.713) 8.358 9.274 ( -4.946 -1.095 -1.336) 5.239 9.445 ( 1.248 -2.668 -0.474) 2.983 10.057 ( 1.482 6.851 0.338) 7.018 10.165 ( 2.997 -3.381 -0.162) 4.521 10.395 ( 2.273 7.468 0.364) 7.815 10.589 ( 3.536 -4.763 -0.829) 5.990 10.939 ( -6.876 -1.379 0.156) 7.015 11.030 ( -5.592 -0.363 0.263) 5.610 11.486 ( -4.253 -0.359 -1.645) 4.574 11.584 ( -4.097 -0.310 2.700) 4.916 12.962 ( 6.931 -0.577 -0.680) 6.988 12.989 ( 6.040 -2.720 0.734) 6.664 13.245 ( 3.038 0.931 -1.331) 3.445 13.363 ( 2.941 0.797 1.427) 3.364 13.493 ( 0.181 0.641 0.468) 0.814 13.569 ( -1.144 -1.821 -0.485) 2.205 13.921 ( 4.753 2.690 0.841) 5.526 13.975 ( 0.735 -0.312 -0.726) 1.079 14.372 ( -7.813 2.269 -2.923) 8.645 14.423 ( 1.764 1.260 2.803) 3.544 14.815 ( -1.502 2.022 -1.564) 2.965 15.016 ( 1.614 0.017 1.691) 2.338 15.466 ( -2.327 -0.673 0.630) 2.503 15.605 ( 0.976 3.468 -0.663) 3.663 15.705 ( -0.024 0.541 0.271) 0.605 15.971 ( 5.681 2.118 -0.548) 6.087 16.591 ( -1.756 0.860 -0.822) 2.121 16.616 ( 0.239 -0.941 1.554) 1.832 16.682 ( 1.000 0.927 -0.193) 1.377 16.700 ( -2.522 -0.473 -1.748) 3.105 19.129 ( 0.332 -2.138 1.905) 2.883 19.313 ( 1.068 -1.639 -1.071) 2.230 20.155 ( 0.737 1.748 -0.683) 2.017 20.634 ( 3.927 1.145 0.951) 4.199 20.949 ( -1.433 -0.506 0.288) 1.547 21.533 ( 0.264 -0.689 0.636) 0.974 22.875 ( -4.523 -1.180 3.091) 5.604 23.339 ( -0.625 -1.307 -1.851) 2.350 26.688 ( 0.518 0.976 0.070) 1.108 26.712 ( -0.336 -0.863 -0.214) 0.951 29.434 ( -2.587 3.058 0.480) 4.034 29.551 ( 0.398 -0.389 -2.898) 2.951 29.616 ( -6.922 1.157 -0.625) 7.046 30.785 ( 9.087 1.039 2.172) 9.401 30.867 ( -0.239 0.075 -0.154) 0.294 30.952 ( 11.725 -1.335 1.480) 11.893 31.259 ( -4.538 1.809 9.192) 10.409 31.854 ( 12.951 4.976 0.684) 13.891 32.096 ( -1.563 -0.856 2.117) 2.767 32.255 ( -0.268 0.955 -0.128) 1.000 32.498 ( -10.698 2.414 -5.815) 12.413 32.699 ( 0.207 -5.243 3.000) 6.044 33.490 ( -1.349 0.327 -1.192) 1.830 33.947 ( 0.525 -1.508 0.623) 1.714 35.536 ( 0.734 0.099 -1.424) 1.605 35.778 ( -5.081 -0.608 -10.320) 11.519 35.908 ( 1.192 0.655 -0.391) 1.415 36.101 ( -0.572 -0.052 0.847) 1.023 36.574 ( -1.887 0.029 0.971) 2.122 36.619 ( -0.840 -0.554 0.154) 1.018 37.378 ( 2.745 7.711 4.556) 9.367 38.294 ( 0.515 -8.917 -2.080) 9.171 ======================= Grid point 31 (20/93) ======================= q-point: (-0.38 0.38 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 4.987 -0.000) 4.987 1.100 ( -0.000 1.378 -0.000) 1.378 1.570 ( -0.000 12.899 -0.000) 12.899 1.800 ( -0.000 22.928 -0.000) 22.928 1.963 ( -0.000 3.097 -0.000) 3.097 2.096 ( 0.000 -1.628 0.000) 1.628 2.199 ( -0.000 15.956 -0.000) 15.956 2.382 ( 0.000 -0.643 0.000) 0.643 2.388 ( 0.000 -1.351 0.000) 1.351 2.522 ( -0.000 1.542 -0.000) 1.542 2.691 ( 0.000 -6.354 0.000) 6.354 2.893 ( 0.000 -1.474 0.000) 1.474 3.032 ( -0.000 9.896 -0.000) 9.896 3.092 ( -0.000 3.986 -0.000) 3.986 3.418 ( -0.000 2.130 -0.000) 2.130 3.601 ( -0.000 6.448 -0.000) 6.448 3.618 ( 0.000 -1.831 0.000) 1.831 3.691 ( 0.000 -5.046 0.000) 5.046 3.796 ( -0.000 8.064 -0.000) 8.064 3.933 ( 0.000 -16.756 0.000) 16.756 3.959 ( 0.000 -4.563 0.000) 4.563 4.288 ( 0.000 -12.046 0.000) 12.046 4.354 ( 0.000 -3.922 0.000) 3.922 4.671 ( -0.000 1.077 -0.000) 1.077 4.904 ( 0.000 -0.776 0.000) 0.776 4.975 ( -0.000 1.782 -0.000) 1.782 5.091 ( 0.000 -0.947 0.000) 0.947 5.184 ( 0.000 -5.825 0.000) 5.825 5.259 ( 0.000 -4.546 0.000) 4.546 5.414 ( -0.000 3.481 -0.000) 3.481 5.507 ( -0.000 1.312 -0.000) 1.312 5.539 ( -0.000 1.861 -0.000) 1.861 6.240 ( 0.000 -8.462 0.000) 8.462 6.278 ( -0.000 0.096 -0.000) 0.096 6.475 ( -0.000 0.359 -0.000) 0.359 7.037 ( 0.000 -3.713 0.000) 3.713 7.072 ( -0.000 1.902 -0.000) 1.902 7.196 ( -0.000 0.111 -0.000) 0.111 7.286 ( -0.000 2.215 -0.000) 2.215 7.384 ( 0.000 -0.316 0.000) 0.316 8.614 ( -0.000 0.695 -0.000) 0.695 8.708 ( -0.000 2.197 -0.000) 2.197 8.954 ( 0.000 -4.691 0.000) 4.691 9.016 ( -0.000 4.724 -0.000) 4.724 9.026 ( -0.000 1.464 -0.000) 1.464 9.185 ( 0.000 -5.110 0.000) 5.110 9.259 ( 0.000 -6.303 0.000) 6.303 9.487 ( 0.000 -3.568 0.000) 3.568 9.989 ( -0.000 8.153 -0.000) 8.153 10.225 ( 0.000 -3.101 0.000) 3.101 10.309 ( -0.000 11.161 -0.000) 11.161 10.677 ( 0.000 -4.103 0.000) 4.103 10.895 ( 0.000 -2.264 0.000) 2.264 10.998 ( 0.000 -2.144 0.000) 2.144 11.450 ( 0.000 -0.840 0.000) 0.840 11.563 ( 0.000 -0.488 0.000) 0.488 13.027 ( 0.000 -2.394 0.000) 2.394 13.070 ( 0.000 -3.178 0.000) 3.178 13.256 ( -0.000 2.265 -0.000) 2.265 13.364 ( -0.000 3.524 -0.000) 3.524 13.531 ( 0.000 -3.206 0.000) 3.206 13.568 ( 0.000 -2.028 0.000) 2.028 13.938 ( -0.000 3.216 -0.000) 3.216 13.996 ( -0.000 1.974 -0.000) 1.974 14.219 ( -0.000 4.521 -0.000) 4.521 14.425 ( -0.000 3.239 -0.000) 3.239 14.775 ( -0.000 2.843 -0.000) 2.843 15.047 ( 0.000 -0.640 0.000) 0.640 15.453 ( 0.000 -0.875 0.000) 0.875 15.556 ( -0.000 7.282 -0.000) 7.282 15.693 ( -0.000 1.598 -0.000) 1.598 16.008 ( -0.000 1.424 -0.000) 1.424 16.553 ( -0.000 1.686 -0.000) 1.686 16.649 ( 0.000 -0.100 0.000) 0.100 16.650 ( 0.000 -0.351 0.000) 0.351 16.684 ( -0.000 1.638 -0.000) 1.638 19.173 ( 0.000 -4.607 0.000) 4.607 19.342 ( 0.000 -3.079 0.000) 3.079 20.136 ( -0.000 2.947 -0.000) 2.947 20.654 ( -0.000 2.144 -0.000) 2.144 20.946 ( 0.000 -1.000 0.000) 1.000 21.550 ( 0.000 -1.467 0.000) 1.467 22.860 ( 0.000 -2.013 0.000) 2.013 23.347 ( 0.000 -2.391 0.000) 2.391 26.693 ( -0.000 0.031 -0.000) 0.031 26.707 ( -0.000 0.143 -0.000) 0.143 29.404 ( -0.000 0.708 -0.000) 0.708 29.508 ( -0.000 5.988 -0.000) 5.988 29.555 ( 0.000 -0.106 0.000) 0.106 30.824 ( -0.000 1.590 -0.000) 1.590 30.863 ( -0.000 0.193 -0.000) 0.193 31.154 ( 0.000 -0.982 0.000) 0.982 31.169 ( -0.000 2.823 -0.000) 2.823 31.925 ( -0.000 9.780 -0.000) 9.780 32.096 ( 0.000 -1.406 0.000) 1.406 32.247 ( -0.000 1.100 -0.000) 1.100 32.347 ( 0.000 -0.010 0.000) 0.010 32.770 ( 0.000 -6.035 0.000) 6.035 33.466 ( -0.000 0.653 -0.000) 0.653 33.976 ( 0.000 -2.855 0.000) 2.855 35.544 ( -0.000 0.059 -0.000) 0.059 35.692 ( 0.000 -0.050 0.000) 0.050 35.903 ( -0.000 1.661 -0.000) 1.661 36.101 ( 0.000 -0.247 0.000) 0.247 36.561 ( 0.000 -0.015 0.000) 0.015 36.622 ( 0.000 -1.187 0.000) 1.187 37.305 ( -0.000 13.130 -0.000) 13.130 38.420 ( 0.000 -15.312 0.000) 15.312 ======================= Grid point 39 (21/93) ======================= q-point: ( 0.50 -0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.000 0.000 -0.000) 0.000 1.105 ( -0.000 0.000 -0.000) 0.000 1.723 ( -0.000 0.000 -0.000) 0.000 1.968 ( -0.000 0.000 -0.000) 0.000 1.972 ( -0.000 0.000 -0.000) 0.000 2.224 ( -0.000 0.000 -0.000) 0.000 2.317 ( -0.000 0.000 -0.000) 0.000 2.359 ( -0.000 0.000 -0.000) 0.000 2.433 ( -0.000 0.000 -0.000) 0.000 2.474 ( -0.000 0.000 -0.000) 0.000 2.599 ( -0.000 0.000 -0.000) 0.000 2.756 ( -0.000 0.000 -0.000) 0.000 3.292 ( 0.000 -0.000 0.000) 0.000 3.368 ( 0.000 -0.000 0.000) 0.000 3.375 ( -0.000 0.000 -0.000) 0.000 3.458 ( -0.000 0.000 -0.000) 0.000 3.636 ( 0.000 -0.000 0.000) 0.000 3.664 ( -0.000 0.000 -0.000) 0.000 3.711 ( -0.000 0.000 -0.000) 0.000 3.852 ( -0.000 0.000 -0.000) 0.000 3.994 ( 0.000 -0.000 0.000) 0.000 4.122 ( -0.000 0.000 -0.000) 0.000 4.307 ( -0.000 0.000 -0.000) 0.000 4.680 ( -0.000 0.000 -0.000) 0.000 4.896 ( -0.000 0.000 -0.000) 0.000 5.001 ( -0.000 0.000 -0.000) 0.000 5.081 ( -0.000 0.000 -0.000) 0.000 5.112 ( -0.000 0.000 -0.000) 0.000 5.211 ( -0.000 0.000 -0.000) 0.000 5.416 ( -0.000 0.000 -0.000) 0.000 5.559 ( -0.000 0.000 -0.000) 0.000 5.568 ( -0.000 0.000 -0.000) 0.000 6.143 ( -0.000 0.000 -0.000) 0.000 6.281 ( -0.000 0.000 -0.000) 0.000 6.477 ( -0.000 0.000 -0.000) 0.000 6.998 ( -0.000 0.000 -0.000) 0.000 7.081 ( -0.000 0.000 -0.000) 0.000 7.199 ( -0.000 0.000 -0.000) 0.000 7.323 ( -0.000 0.000 -0.000) 0.000 7.374 ( -0.000 0.000 -0.000) 0.000 8.624 ( -0.000 0.000 -0.000) 0.000 8.736 ( -0.000 0.000 -0.000) 0.000 8.902 ( -0.000 0.000 -0.000) 0.000 9.067 ( -0.000 0.000 -0.000) 0.000 9.093 ( -0.000 0.000 -0.000) 0.000 9.099 ( 0.000 -0.000 0.000) 0.000 9.165 ( -0.000 0.000 -0.000) 0.000 9.454 ( -0.000 0.000 -0.000) 0.000 10.132 ( 0.000 -0.000 0.000) 0.000 10.135 ( -0.000 0.000 -0.000) 0.000 10.489 ( -0.000 0.000 -0.000) 0.000 10.563 ( 0.000 -0.000 0.000) 0.000 10.871 ( -0.000 0.000 -0.000) 0.000 10.983 ( -0.000 0.000 -0.000) 0.000 11.442 ( -0.000 0.000 -0.000) 0.000 11.557 ( -0.000 0.000 -0.000) 0.000 13.003 ( -0.000 0.000 -0.000) 0.000 13.037 ( -0.000 0.000 -0.000) 0.000 13.282 ( -0.000 0.000 -0.000) 0.000 13.408 ( -0.000 0.000 -0.000) 0.000 13.491 ( -0.000 0.000 -0.000) 0.000 13.545 ( -0.000 0.000 -0.000) 0.000 13.968 ( -0.000 0.000 -0.000) 0.000 14.015 ( -0.000 0.000 -0.000) 0.000 14.269 ( -0.000 0.000 -0.000) 0.000 14.458 ( -0.000 0.000 -0.000) 0.000 14.800 ( -0.000 0.000 -0.000) 0.000 15.042 ( -0.000 0.000 -0.000) 0.000 15.444 ( -0.000 0.000 -0.000) 0.000 15.631 ( -0.000 0.000 -0.000) 0.000 15.709 ( -0.000 0.000 -0.000) 0.000 16.023 ( -0.000 0.000 -0.000) 0.000 16.580 ( -0.000 0.000 -0.000) 0.000 16.639 ( -0.000 0.000 -0.000) 0.000 16.644 ( -0.000 0.000 -0.000) 0.000 16.705 ( -0.000 0.000 -0.000) 0.000 19.126 ( -0.000 0.000 -0.000) 0.000 19.311 ( -0.000 0.000 -0.000) 0.000 20.167 ( -0.000 0.000 -0.000) 0.000 20.676 ( -0.000 0.000 -0.000) 0.000 20.935 ( -0.000 0.000 -0.000) 0.000 21.535 ( -0.000 0.000 -0.000) 0.000 22.839 ( -0.000 0.000 -0.000) 0.000 23.322 ( -0.000 0.000 -0.000) 0.000 26.694 ( -0.000 0.000 -0.000) 0.000 26.708 ( -0.000 0.000 -0.000) 0.000 29.411 ( -0.000 0.000 -0.000) 0.000 29.551 ( -0.000 0.000 -0.000) 0.000 29.570 ( -0.000 0.000 -0.000) 0.000 30.840 ( -0.000 0.000 -0.000) 0.000 30.865 ( -0.000 0.000 -0.000) 0.000 31.144 ( -0.000 0.000 -0.000) 0.000 31.201 ( -0.000 0.000 -0.000) 0.000 32.036 ( -0.000 0.000 -0.000) 0.000 32.080 ( -0.000 0.000 -0.000) 0.000 32.257 ( -0.000 0.000 -0.000) 0.000 32.348 ( -0.000 0.000 -0.000) 0.000 32.700 ( -0.000 0.000 -0.000) 0.000 33.473 ( -0.000 0.000 -0.000) 0.000 33.946 ( -0.000 0.000 -0.000) 0.000 35.545 ( -0.000 0.000 -0.000) 0.000 35.692 ( -0.000 0.000 -0.000) 0.000 35.920 ( -0.000 0.000 -0.000) 0.000 36.098 ( -0.000 0.000 -0.000) 0.000 36.561 ( -0.000 0.000 -0.000) 0.000 36.609 ( -0.000 0.000 -0.000) 0.000 37.462 ( -0.000 0.000 -0.000) 0.000 38.241 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 13.227 -0.000 17.500) 21.936 0.580 ( 5.124 -0.000 25.903) 26.405 0.938 ( 3.003 -0.000 36.392) 36.516 1.062 ( 12.667 -0.000 9.938) 16.100 1.100 ( 0.114 -0.000 1.552) 1.557 1.814 ( -5.109 0.000 -14.747) 15.607 2.036 ( -10.536 0.000 -4.961) 11.645 2.252 ( -0.812 0.000 -0.150) 0.826 2.339 ( 5.510 -0.000 -0.350) 5.521 2.424 ( 5.002 -0.000 1.170) 5.137 2.429 ( 1.276 -0.000 0.037) 1.277 2.824 ( -1.560 0.000 1.165) 1.947 2.950 ( 0.321 -0.000 -14.288) 14.291 3.242 ( -7.595 0.000 11.292) 13.608 3.297 ( 4.089 -0.000 -2.794) 4.953 3.451 ( -3.572 0.000 -2.821) 4.552 3.626 ( 1.035 -0.000 -4.418) 4.537 3.942 ( 8.085 -0.000 -11.053) 13.694 3.967 ( 5.246 -0.000 3.574) 6.348 4.117 ( -6.699 0.000 3.775) 7.689 4.238 ( -10.616 0.000 5.581) 11.994 4.559 ( -1.114 0.000 1.727) 2.055 4.685 ( 0.972 -0.000 1.107) 1.473 4.722 ( 3.089 -0.000 -3.696) 4.817 4.895 ( -6.453 0.000 2.725) 7.004 5.091 ( -4.970 0.000 -7.867) 9.305 5.103 ( -5.265 0.000 -1.895) 5.595 5.250 ( 3.342 -0.000 1.512) 3.668 5.265 ( 3.707 -0.000 1.756) 4.102 5.351 ( 1.594 -0.000 -5.298) 5.533 5.757 ( -2.698 0.000 7.392) 7.869 5.918 ( 4.186 -0.000 1.585) 4.476 6.324 ( -1.667 0.000 1.928) 2.549 6.700 ( 8.346 -0.000 -8.511) 11.921 6.718 ( 1.347 -0.000 2.814) 3.120 6.932 ( 21.061 -0.000 -0.437) 21.066 6.989 ( -2.319 0.000 1.587) 2.810 7.183 ( 4.681 -0.000 -2.002) 5.091 7.338 ( -2.197 0.000 3.591) 4.210 7.501 ( -0.356 0.000 -1.100) 1.157 8.604 ( -0.664 0.000 -0.120) 0.675 8.646 ( 1.841 -0.000 -1.268) 2.236 8.953 ( 7.867 -0.000 0.021) 7.867 8.997 ( -0.699 0.000 -0.660) 0.961 9.133 ( 0.786 -0.000 1.505) 1.697 9.255 ( -0.834 0.000 -1.105) 1.384 9.618 ( 0.972 -0.000 0.488) 1.088 9.666 ( -10.710 0.000 -1.165) 10.773 9.810 ( 1.429 -0.000 2.343) 2.744 9.906 ( -2.385 0.000 -0.400) 2.418 10.306 ( 0.683 -0.000 2.504) 2.596 10.533 ( -0.150 0.000 -2.691) 2.695 10.999 ( -1.497 0.000 1.465) 2.095 11.119 ( 1.146 -0.000 -1.300) 1.733 11.543 ( -1.679 0.000 0.088) 1.681 11.547 ( 1.488 -0.000 -0.004) 1.488 13.151 ( -0.085 0.000 0.309) 0.320 13.189 ( -0.110 0.000 -0.568) 0.579 13.198 ( 0.287 -0.000 0.159) 0.328 13.247 ( -0.232 0.000 -1.136) 1.159 13.665 ( -8.265 0.000 0.880) 8.312 13.697 ( 2.700 -0.000 -0.151) 2.704 13.697 ( -15.608 0.000 0.845) 15.631 13.759 ( -1.411 0.000 -0.585) 1.528 14.163 ( 0.706 -0.000 0.484) 0.856 14.189 ( 2.256 -0.000 -0.468) 2.304 14.278 ( -1.626 0.000 1.238) 2.044 14.359 ( -0.235 0.000 -0.739) 0.776 15.224 ( -5.415 0.000 0.803) 5.475 15.312 ( -1.100 0.000 -1.234) 1.653 15.540 ( 1.098 -0.000 0.269) 1.130 15.567 ( -0.639 0.000 -0.355) 0.731 16.523 ( -2.460 0.000 -0.949) 2.637 16.543 ( 7.090 -0.000 -1.129) 7.180 16.616 ( 2.577 -0.000 1.615) 3.041 16.685 ( -2.390 0.000 -0.199) 2.399 19.471 ( -2.329 0.000 0.752) 2.448 19.541 ( 2.228 -0.000 -0.828) 2.377 20.028 ( -6.560 0.000 1.437) 6.716 20.156 ( 1.834 -0.000 -1.465) 2.348 21.310 ( -12.165 0.000 2.550) 12.429 21.565 ( 1.714 -0.000 -3.376) 3.787 23.037 ( -0.948 0.000 5.246) 5.331 23.433 ( 0.529 -0.000 -3.878) 3.914 26.693 ( 0.348 -0.000 0.033) 0.349 26.697 ( -0.331 0.000 -0.050) 0.335 28.988 ( 1.122 -0.000 0.975) 1.486 29.061 ( -1.174 0.000 -0.665) 1.350 29.376 ( -1.901 0.000 1.521) 2.434 29.552 ( -17.113 0.000 -2.486) 17.292 30.742 ( 0.789 -0.000 1.535) 1.726 30.837 ( -0.372 0.000 -0.693) 0.786 31.080 ( 0.578 -0.000 1.293) 1.417 31.223 ( -1.432 0.000 -1.817) 2.314 32.114 ( -0.418 0.000 0.151) 0.444 32.139 ( 0.985 -0.000 -0.429) 1.075 32.471 ( 8.969 -0.000 -0.156) 8.970 32.519 ( 1.255 -0.000 -1.653) 2.076 33.509 ( -1.688 0.000 7.352) 7.544 34.074 ( 0.944 -0.000 -5.928) 6.003 35.572 ( 0.655 -0.000 2.194) 2.290 35.773 ( -0.219 0.000 -2.229) 2.239 35.996 ( 16.903 -0.000 0.666) 16.916 36.138 ( -3.038 0.000 -1.874) 3.570 36.198 ( -1.666 0.000 6.519) 6.728 36.638 ( 1.210 -0.000 -4.269) 4.437 38.921 ( -2.711 0.000 2.306) 3.559 39.101 ( 1.681 -0.000 -1.755) 2.430 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 21.604 -1.839 7.412) 22.914 0.847 ( 10.884 -1.156 16.094) 19.464 1.065 ( 1.772 5.498 7.553) 9.509 1.272 ( 10.972 -10.462 9.552) 17.918 1.501 ( 13.800 -9.388 22.736) 28.205 1.801 ( 10.375 -8.155 -16.448) 21.087 1.881 ( -2.153 -2.347 -5.363) 6.238 2.243 ( 1.455 2.570 0.907) 3.090 2.435 ( 2.139 0.150 0.542) 2.211 2.466 ( 8.861 0.480 -0.599) 8.894 2.591 ( 9.693 -7.562 -5.674) 13.540 2.800 ( -3.413 8.543 -12.184) 15.267 2.889 ( 3.812 -4.254 2.383) 6.189 3.209 ( -4.842 -0.051 6.379) 8.009 3.347 ( 2.291 -0.020 -1.981) 3.029 3.409 ( 0.161 -5.166 -3.008) 5.980 3.571 ( -1.714 2.426 -3.431) 4.538 3.952 ( -4.437 0.987 -9.507) 10.538 4.001 ( -4.842 1.571 7.603) 9.149 4.057 ( 3.784 1.431 5.673) 6.968 4.135 ( -5.061 0.008 2.794) 5.781 4.591 ( -3.783 0.858 2.033) 4.379 4.628 ( -1.255 3.528 0.956) 3.864 4.714 ( -3.372 -1.579 -1.721) 4.102 4.835 ( -3.236 2.735 1.904) 4.645 4.940 ( -5.038 -0.142 -5.466) 7.435 5.054 ( -3.563 -3.731 0.247) 5.165 5.201 ( -8.484 0.476 -1.761) 8.678 5.313 ( 1.260 0.448 2.197) 2.572 5.389 ( 2.615 -3.432 -1.867) 4.701 5.647 ( -11.640 4.265 3.899) 12.996 5.834 ( -3.613 9.257 1.387) 10.033 6.297 ( -2.121 1.440 2.291) 3.438 6.632 ( -4.518 3.659 -7.654) 9.611 6.727 ( -0.280 2.906 0.022) 2.919 6.830 ( -14.777 5.366 5.180) 16.552 6.944 ( 0.043 2.273 -3.600) 4.258 7.193 ( -4.326 -3.039 0.932) 5.368 7.373 ( 4.480 3.053 2.752) 6.079 7.525 ( 4.035 1.172 -0.728) 4.264 8.616 ( 2.367 0.545 -1.825) 3.038 8.660 ( 1.009 0.080 -0.471) 1.116 9.054 ( 4.262 2.461 -0.328) 4.932 9.115 ( 13.668 -0.763 0.389) 13.694 9.161 ( 3.336 1.153 1.117) 3.702 9.245 ( 0.803 -0.657 -2.341) 2.560 9.548 ( -1.400 4.432 -0.385) 4.663 9.632 ( -3.093 -3.743 0.180) 4.859 9.820 ( -0.435 3.638 3.216) 4.875 9.907 ( 2.366 -3.397 -1.435) 4.381 10.283 ( -7.111 -2.913 2.837) 8.192 10.461 ( -6.457 -2.097 -3.917) 7.838 11.059 ( 6.584 1.734 0.593) 6.835 11.181 ( 4.698 -0.452 -0.926) 4.809 11.538 ( 2.347 0.417 -0.294) 2.402 11.575 ( 2.942 2.206 1.144) 3.851 13.133 ( -4.124 0.086 -1.169) 4.287 13.145 ( -1.313 -1.588 0.040) 2.060 13.168 ( -3.105 3.571 0.047) 4.732 13.250 ( 1.136 -2.084 -0.181) 2.380 13.672 ( -2.602 4.163 0.815) 4.977 13.714 ( 9.655 7.980 -1.097) 12.574 13.728 ( 2.377 0.089 0.186) 2.386 13.989 ( 19.083 -5.035 -1.640) 19.804 14.025 ( -5.616 -1.933 -1.113) 6.042 14.167 ( -6.115 -7.302 0.130) 9.525 14.387 ( 2.675 -7.134 1.623) 7.790 14.542 ( 1.610 -23.223 -6.309) 24.119 15.255 ( 2.892 -1.495 0.475) 3.290 15.289 ( -0.359 -5.369 -2.299) 5.851 15.580 ( 2.473 0.316 -0.251) 2.505 15.627 ( 6.999 -0.239 0.090) 7.003 16.494 ( -0.668 -0.962 -1.153) 1.643 16.655 ( -0.286 0.293 -0.843) 0.937 16.673 ( 1.898 -0.626 1.480) 2.487 16.697 ( 11.167 -0.038 -6.605) 12.974 19.383 ( -6.429 2.983 -0.560) 7.109 19.520 ( -2.178 2.121 -0.062) 3.041 20.000 ( -0.507 -1.054 1.266) 1.723 20.221 ( 2.926 -5.765 -2.295) 6.860 21.153 ( -7.801 2.482 8.491) 11.794 21.567 ( 1.350 0.918 -3.128) 3.529 23.043 ( -1.502 1.451 5.788) 6.153 23.414 ( 0.790 0.150 -4.343) 4.417 26.684 ( -0.662 0.851 -0.117) 1.084 26.705 ( 0.518 -1.001 0.095) 1.131 29.066 ( -0.887 -4.808 -1.107) 5.013 29.166 ( -1.425 -18.464 -0.777) 18.535 29.463 ( 10.570 -1.556 3.257) 11.169 29.978 ( 43.780 -11.250 -26.156) 52.224 30.748 ( -1.857 0.539 1.969) 2.760 30.816 ( -1.924 -1.209 -1.104) 2.526 31.069 ( -3.407 0.173 1.894) 3.902 31.168 ( -4.950 -3.608 -2.319) 6.550 32.134 ( 2.085 -0.706 -0.114) 2.204 32.157 ( 1.318 0.065 -0.377) 1.373 32.528 ( 3.208 1.386 -1.134) 3.674 32.626 ( 9.970 -2.967 -8.084) 13.174 33.526 ( -2.196 -0.203 7.960) 8.260 34.037 ( -0.026 1.136 -6.531) 6.629 35.603 ( 1.446 0.350 3.078) 3.419 35.754 ( -0.574 -0.703 -3.078) 3.209 36.081 ( -1.559 -1.097 -3.385) 3.885 36.174 ( 2.319 0.246 2.554) 3.459 36.250 ( 6.864 -1.880 -1.941) 7.377 36.633 ( 1.715 0.140 -4.583) 4.895 38.386 ( -36.498 23.178 30.355) 52.828 39.018 ( -6.671 5.929 -2.895) 9.383 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 5.820 -0.416 -1.365) 5.992 1.039 ( 2.476 -0.105 -0.992) 2.669 1.224 ( 15.068 0.925 14.588) 20.993 1.589 ( -1.569 -0.103 -9.533) 9.661 1.723 ( 13.856 -15.011 15.360) 25.558 2.020 ( 15.760 -7.340 -12.820) 21.601 2.087 ( 8.088 0.021 9.718) 12.643 2.300 ( 5.111 -0.003 0.180) 5.114 2.424 ( -4.698 -0.737 1.339) 4.940 2.544 ( 2.871 -1.054 -13.750) 14.086 2.668 ( 7.021 4.182 1.214) 8.262 2.774 ( 10.038 -8.869 -2.594) 13.644 3.005 ( 3.091 -0.468 0.810) 3.230 3.168 ( -2.580 0.224 0.610) 2.661 3.269 ( -7.101 4.193 1.913) 8.466 3.513 ( 4.932 -2.746 1.549) 5.853 3.577 ( 4.212 0.140 0.545) 4.250 3.802 ( -5.461 0.208 -5.500) 7.753 3.898 ( -10.244 2.566 8.626) 13.635 4.077 ( -2.086 -1.241 6.256) 6.711 4.184 ( 5.745 4.371 -2.263) 7.566 4.398 ( -8.970 2.136 0.787) 9.255 4.627 ( -3.159 0.656 1.125) 3.417 4.678 ( -2.234 -0.617 2.644) 3.516 4.701 ( -4.011 5.213 -4.445) 7.939 4.886 ( -3.184 -0.056 -1.532) 3.534 4.993 ( -11.398 -0.645 -2.453) 11.677 5.082 ( -2.405 -3.206 1.478) 4.272 5.325 ( -4.394 -1.412 0.834) 4.690 5.363 ( -6.844 0.571 -2.495) 7.307 5.490 ( -0.513 0.403 1.243) 1.404 5.721 ( 0.230 6.332 -3.077) 7.044 6.254 ( -1.932 4.057 2.142) 4.978 6.440 ( -10.124 1.278 -2.691) 10.553 6.593 ( -8.939 -0.412 -2.403) 9.265 6.699 ( -5.902 -0.091 2.637) 6.465 6.927 ( 2.339 2.029 -1.583) 3.477 7.184 ( -0.166 -1.539 0.537) 1.638 7.409 ( 2.104 4.687 1.762) 5.432 7.577 ( 4.162 1.474 0.798) 4.487 8.635 ( 2.518 1.165 -2.224) 3.556 8.698 ( 3.287 -2.104 -0.242) 3.910 9.015 ( -3.346 5.028 0.897) 6.106 9.216 ( 1.158 1.331 -3.229) 3.679 9.282 ( 9.673 4.251 -0.045) 10.566 9.357 ( 12.812 -1.633 0.099) 12.916 9.515 ( 2.634 1.843 -1.653) 3.615 9.606 ( -5.793 -5.956 0.916) 8.359 9.786 ( 0.054 6.431 4.084) 7.618 9.999 ( 2.449 -5.147 -1.422) 5.874 10.191 ( -9.288 -3.240 2.196) 10.079 10.350 ( -6.524 -4.419 -4.037) 8.854 11.157 ( 7.027 1.777 0.771) 7.289 11.230 ( 3.238 1.940 -0.042) 3.775 11.598 ( 3.911 0.825 0.681) 4.054 11.635 ( 6.030 0.295 0.937) 6.109 12.985 ( -11.142 5.689 -0.649) 12.527 13.069 ( -3.559 1.276 -0.449) 3.808 13.182 ( 1.930 -2.462 0.152) 3.132 13.307 ( 1.748 -3.792 0.202) 4.180 13.538 ( -5.544 5.855 -0.377) 8.072 13.740 ( 0.175 -1.050 1.030) 1.481 13.820 ( 13.345 12.421 -0.051) 18.231 13.913 ( -2.026 0.289 -0.949) 2.255 14.130 ( -10.201 -11.663 0.174) 15.495 14.283 ( 6.419 -0.920 0.433) 6.499 14.453 ( -3.070 -4.260 -0.094) 5.251 14.791 ( 8.210 -19.325 -1.958) 21.087 15.327 ( 3.049 -5.632 0.312) 6.412 15.390 ( 5.771 -5.242 -1.908) 8.026 15.614 ( 2.146 1.047 0.295) 2.406 15.723 ( 4.855 1.350 0.226) 5.045 16.512 ( 1.831 -1.716 -0.433) 2.546 16.647 ( 0.315 -0.885 -1.560) 1.821 16.710 ( 0.605 0.275 1.770) 1.891 16.793 ( 6.182 0.322 -5.415) 8.225 19.238 ( -5.805 3.782 -1.137) 7.020 19.447 ( -3.801 2.181 -0.369) 4.398 20.017 ( 0.231 -1.029 0.948) 1.418 20.313 ( 3.124 -5.312 -2.081) 6.504 21.099 ( -3.472 1.559 7.286) 8.220 21.553 ( 1.251 1.855 -3.069) 3.798 23.040 ( -0.849 2.305 5.374) 5.909 23.411 ( 1.215 -1.542 -3.828) 4.302 26.660 ( -0.827 1.254 -0.132) 1.508 26.729 ( 0.706 -1.423 0.078) 1.590 29.087 ( -0.663 -2.948 -0.489) 3.061 29.325 ( 4.392 -10.217 0.172) 11.122 29.754 ( 15.363 -4.026 8.848) 18.180 30.481 ( 27.797 -7.670 -23.542) 37.225 30.660 ( -7.693 3.211 0.509) 8.352 30.811 ( -1.056 -2.946 0.021) 3.130 31.006 ( -3.815 0.835 0.875) 4.002 31.143 ( -4.041 -7.442 0.237) 8.471 32.160 ( 0.711 0.818 0.246) 1.111 32.188 ( 2.246 -1.343 -0.337) 2.638 32.557 ( 2.396 0.728 -1.322) 2.832 32.757 ( 10.024 -2.990 -10.091) 14.535 33.543 ( -2.265 -0.460 8.034) 8.360 33.977 ( -0.422 1.636 -6.360) 6.581 35.645 ( 1.556 0.818 3.105) 3.568 35.728 ( -1.155 -1.699 -3.752) 4.278 36.062 ( -0.404 -4.104 -5.983) 7.267 36.185 ( -2.508 0.695 6.604) 7.098 36.365 ( 8.098 -0.424 -5.635) 9.875 36.634 ( 2.007 -0.226 -4.678) 5.095 37.902 ( -25.445 16.545 31.697) 43.885 38.768 ( -10.453 8.332 -6.626) 14.919 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.457 1.816 -3.008) 4.287 1.054 ( 0.801 -0.425 -0.533) 1.051 1.460 ( 2.761 4.148 -9.855) 11.044 1.563 ( 12.578 -5.385 5.239) 14.651 2.064 ( -2.675 -2.458 -5.834) 6.873 2.145 ( 1.924 5.329 2.789) 6.315 2.173 ( -2.632 -10.435 6.171) 12.405 2.281 ( 13.574 -4.845 -3.728) 14.887 2.536 ( 1.857 -2.809 1.007) 3.514 2.569 ( 4.572 1.734 -1.962) 5.269 2.693 ( -0.995 -0.946 0.701) 1.542 2.973 ( -1.403 3.451 1.390) 3.976 3.022 ( -7.745 5.477 1.095) 9.549 3.090 ( 11.284 -6.225 0.074) 12.887 3.238 ( 1.106 -0.391 2.711) 2.954 3.549 ( -8.516 8.442 5.599) 13.234 3.585 ( 3.875 0.779 2.209) 4.528 3.751 ( 5.079 1.329 -3.397) 6.253 3.827 ( -2.327 -3.541 -0.909) 4.334 4.116 ( -2.767 4.603 1.184) 5.500 4.124 ( 2.876 -7.365 -4.836) 9.268 4.404 ( 5.463 0.849 0.279) 5.536 4.557 ( -8.365 2.081 4.528) 9.737 4.627 ( 0.937 2.729 3.489) 4.527 4.645 ( -3.244 2.594 1.089) 4.294 4.755 ( -11.596 0.180 -1.790) 11.735 4.817 ( -5.334 -3.701 -1.930) 6.773 5.105 ( -1.475 -2.343 1.904) 3.360 5.166 ( -5.575 0.547 -2.381) 6.087 5.380 ( 1.501 -3.187 -1.538) 3.844 5.476 ( -1.481 4.340 0.528) 4.616 5.701 ( 2.419 -2.132 -3.739) 4.937 6.191 ( -1.503 4.133 1.018) 4.514 6.286 ( -5.983 1.178 -1.766) 6.348 6.488 ( -5.174 -3.517 -1.632) 6.466 6.643 ( -2.933 -1.437 0.956) 3.403 6.945 ( 2.320 1.964 0.725) 3.125 7.203 ( 1.271 -0.047 -1.548) 2.003 7.372 ( -1.638 4.376 2.196) 5.163 7.633 ( 2.826 0.657 1.243) 3.157 8.650 ( 2.268 1.034 -2.109) 3.265 8.771 ( 2.286 -1.471 -0.553) 2.774 8.923 ( -1.697 2.795 0.060) 3.270 9.175 ( -0.618 1.540 -2.964) 3.397 9.393 ( 10.235 6.084 -1.144) 11.962 9.512 ( 3.781 -1.348 -0.617) 4.061 9.552 ( 2.746 -0.315 -0.595) 2.827 9.612 ( -2.074 -7.384 1.309) 7.780 9.760 ( 2.489 7.593 5.331) 9.606 9.975 ( -7.530 -2.037 -0.625) 7.825 10.082 ( -8.605 -2.380 -1.374) 9.033 10.372 ( 3.517 -6.265 -2.025) 7.464 11.244 ( 4.436 0.733 1.089) 4.626 11.268 ( 3.474 1.210 0.238) 3.686 11.642 ( 2.513 1.291 0.906) 2.967 11.733 ( 4.222 -0.407 0.936) 4.343 12.727 ( -11.348 5.990 -0.221) 12.834 13.015 ( -1.645 0.735 -0.357) 1.836 13.240 ( 1.293 -3.197 0.021) 3.448 13.366 ( 1.325 -2.367 -0.215) 2.721 13.417 ( -3.084 3.909 0.077) 4.979 13.747 ( -0.819 -0.805 -0.460) 1.237 13.905 ( 13.918 14.359 0.030) 19.998 13.917 ( 1.598 -1.358 -0.110) 2.100 14.076 ( -12.341 -13.767 0.351) 18.492 14.305 ( -2.217 0.032 0.460) 2.264 14.413 ( -3.417 -1.058 -0.225) 3.584 15.058 ( 6.935 -8.371 -0.209) 10.873 15.444 ( 3.777 -5.799 -0.384) 6.931 15.522 ( 4.963 -4.330 -0.609) 6.615 15.619 ( 0.164 2.419 0.876) 2.578 15.746 ( 0.204 2.278 0.489) 2.339 16.569 ( 2.725 -1.757 0.192) 3.248 16.666 ( 1.160 -1.845 -0.823) 2.329 16.703 ( -1.405 1.457 0.991) 2.254 16.830 ( 2.678 0.477 -3.441) 4.386 19.140 ( -1.820 2.283 -0.196) 2.926 19.367 ( -3.208 1.217 -0.854) 3.535 20.037 ( 0.009 -1.127 1.332) 1.745 20.385 ( 2.225 -2.705 -1.538) 3.825 21.088 ( -2.026 0.715 6.330) 6.684 21.536 ( 1.355 1.688 -3.305) 3.951 23.041 ( 0.003 2.615 4.958) 5.605 23.430 ( 0.819 -2.703 -2.875) 4.030 26.637 ( -0.569 0.867 -0.128) 1.044 26.751 ( 0.507 -1.009 0.004) 1.129 29.100 ( -0.167 -1.400 0.321) 1.446 29.494 ( 6.308 -5.241 -0.365) 8.210 30.045 ( 6.641 -3.267 11.325) 13.529 30.487 ( -8.038 4.391 0.373) 9.167 30.746 ( 14.857 0.147 -12.520) 19.429 30.835 ( 1.651 -3.167 -1.634) 3.928 30.963 ( -0.623 1.391 0.248) 1.544 31.196 ( -1.844 -10.021 5.199) 11.439 32.161 ( 0.113 0.595 1.033) 1.198 32.227 ( 1.252 -1.057 -0.122) 1.644 32.569 ( 1.596 1.286 -1.818) 2.740 32.873 ( 7.345 -4.552 -9.854) 13.107 33.562 ( -2.128 -0.293 7.779) 8.070 33.926 ( 0.582 0.969 -5.240) 5.360 35.638 ( -2.257 -0.362 -2.780) 3.599 35.738 ( 1.926 -0.789 0.608) 2.169 36.062 ( -0.046 -5.537 -9.176) 10.717 36.176 ( -2.699 1.565 7.502) 8.125 36.438 ( 5.612 0.879 -5.427) 7.856 36.645 ( 2.247 -0.552 -4.053) 4.667 37.598 ( -17.658 13.053 23.936) 32.482 38.513 ( -6.140 4.000 -8.190) 10.990 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.019 1.642 -3.409) 4.288 1.079 ( 1.570 -1.019 0.071) 1.873 1.504 ( 10.255 -1.055 -0.894) 10.347 1.802 ( 7.422 -2.278 -0.093) 7.765 1.925 ( -8.650 2.381 -4.322) 9.959 2.062 ( -10.498 1.946 -8.392) 13.580 2.167 ( 1.230 2.262 -1.389) 2.925 2.321 ( -11.916 0.323 -4.357) 12.692 2.590 ( -2.994 0.982 5.532) 6.366 2.629 ( 3.827 -7.748 5.594) 10.294 2.747 ( 6.038 5.763 3.662) 9.115 2.880 ( 0.508 2.216 3.504) 4.177 3.065 ( 3.003 -10.344 5.264) 11.989 3.165 ( -4.711 0.002 -4.862) 6.770 3.262 ( 0.239 -2.518 0.607) 2.601 3.366 ( 0.829 13.588 2.971) 13.934 3.707 ( 6.472 -1.393 -4.892) 8.231 3.769 ( -10.467 2.372 3.298) 11.228 3.848 ( 10.367 -0.400 -0.212) 10.377 4.069 ( 2.353 0.456 -3.784) 4.479 4.259 ( 5.783 -9.391 -5.596) 12.367 4.349 ( -13.695 0.539 3.080) 14.047 4.469 ( -0.840 0.250 -0.858) 1.226 4.497 ( -3.462 5.527 2.942) 7.154 4.648 ( 4.264 2.560 0.265) 4.980 4.769 ( 2.807 -3.577 7.932) 9.143 4.830 ( 2.790 -1.549 0.683) 3.264 5.060 ( -2.348 1.543 -2.012) 3.456 5.178 ( 2.014 -3.973 3.942) 5.948 5.375 ( -1.733 4.764 -4.671) 6.894 5.403 ( -1.291 0.443 -1.879) 2.322 5.746 ( 0.785 -3.454 -1.955) 4.045 6.151 ( 0.176 2.033 -0.212) 2.051 6.208 ( -0.412 2.150 -1.863) 2.874 6.470 ( -1.823 -5.307 -1.019) 5.703 6.647 ( 1.155 -0.756 1.138) 1.789 6.965 ( 0.910 0.981 2.167) 2.547 7.189 ( -0.257 1.804 -3.527) 3.970 7.339 ( -0.876 -0.066 2.732) 2.870 7.656 ( -0.548 0.062 1.135) 1.262 8.648 ( 0.485 1.224 -2.501) 2.826 8.801 ( 2.950 -0.398 0.185) 2.982 8.900 ( -1.028 1.296 -0.798) 1.836 9.163 ( 1.325 -1.766 -1.962) 2.954 9.469 ( 7.345 5.420 -1.292) 9.219 9.516 ( -3.401 -3.572 -2.626) 5.588 9.587 ( 0.923 1.394 0.444) 1.730 9.637 ( -6.822 -7.985 4.248) 11.329 9.758 ( -1.650 4.588 3.012) 5.731 9.885 ( -2.887 -0.896 -1.014) 3.189 10.021 ( 4.026 0.913 -1.705) 4.466 10.443 ( 0.603 -0.946 -1.230) 1.665 11.283 ( -0.534 -0.341 1.279) 1.428 11.297 ( 0.215 0.697 0.197) 0.756 11.665 ( 0.459 0.233 1.120) 1.233 11.773 ( -0.086 0.132 0.834) 0.849 12.593 ( 0.245 -0.040 -0.068) 0.257 13.000 ( 0.514 0.217 -0.172) 0.584 13.272 ( -0.367 -1.021 -0.014) 1.085 13.348 ( 0.164 2.253 -1.229) 2.571 13.407 ( -0.183 -1.752 0.926) 1.990 13.729 ( -0.650 0.505 -1.478) 1.691 13.950 ( -1.154 -2.210 0.317) 2.513 13.975 ( 9.725 10.336 -0.639) 14.206 14.019 ( -8.716 -9.019 1.288) 12.608 14.276 ( -0.354 0.577 0.231) 0.715 14.390 ( 0.392 -0.130 0.103) 0.425 15.151 ( -0.139 0.166 -0.336) 0.400 15.528 ( 1.471 1.513 -1.661) 2.685 15.550 ( -0.658 0.021 -0.154) 0.676 15.638 ( 0.062 -3.052 1.360) 3.341 15.716 ( -0.614 1.530 0.848) 1.854 16.612 ( 0.218 0.518 0.481) 0.740 16.665 ( -0.589 0.412 -0.323) 0.788 16.697 ( 0.381 -1.185 0.433) 1.318 16.837 ( 0.866 -0.819 -2.753) 3.000 19.135 ( 1.983 0.113 1.172) 2.306 19.325 ( -0.427 -0.496 -1.456) 1.596 20.054 ( -0.552 -1.377 1.746) 2.291 20.413 ( 1.262 0.764 -1.350) 1.999 21.094 ( -1.986 -0.272 6.393) 6.700 21.525 ( 1.553 0.804 -3.696) 4.089 23.048 ( 0.466 3.086 4.970) 5.868 23.446 ( -0.237 -2.741 -2.392) 3.646 26.627 ( -0.022 -0.066 -0.129) 0.147 26.761 ( -0.039 -0.039 -0.046) 0.072 29.114 ( 0.099 -0.675 0.903) 1.132 29.572 ( 0.006 0.990 -1.143) 1.512 30.130 ( -7.212 -2.353 9.122) 11.865 30.389 ( 1.961 4.117 1.078) 4.685 30.807 ( 3.394 3.126 -1.633) 4.895 30.905 ( 4.975 -0.653 -4.490) 6.733 30.964 ( 5.573 4.874 -2.185) 7.720 31.334 ( -0.826 -11.322 10.321) 15.343 32.169 ( 0.185 0.280 1.891) 1.920 32.245 ( -0.160 -0.716 0.138) 0.747 32.564 ( 1.022 1.326 -1.964) 2.581 32.945 ( 2.726 -5.769 -9.515) 11.457 33.572 ( -2.373 0.661 7.110) 7.524 33.924 ( 2.900 -0.833 -3.649) 4.735 35.579 ( -2.573 -1.194 -4.703) 5.492 35.781 ( 2.136 0.437 1.318) 2.548 36.041 ( -1.393 -5.951 -13.047) 14.408 36.165 ( -2.404 1.779 7.376) 7.959 36.458 ( 3.199 2.578 -5.383) 6.772 36.662 ( 1.882 -0.411 -3.086) 3.638 37.366 ( -12.660 11.488 17.998) 24.823 38.437 ( 2.585 -3.594 -6.412) 7.792 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.653 0.013 -2.521) 3.015 1.097 ( -0.501 0.350 0.011) 0.611 1.483 ( -14.703 15.653 -10.215) 23.781 1.619 ( -14.881 17.347 -0.658) 22.864 1.787 ( -2.313 2.482 2.651) 4.306 2.009 ( 5.508 -11.439 -8.094) 15.056 2.098 ( -6.584 -5.048 2.627) 8.703 2.210 ( 1.470 0.769 -3.545) 3.914 2.539 ( -7.949 -1.209 9.349) 12.331 2.653 ( -4.875 -0.381 1.878) 5.239 2.873 ( -0.049 -1.340 -1.491) 2.006 2.947 ( -0.269 6.416 -4.593) 7.895 2.967 ( 1.012 0.598 2.509) 2.770 3.256 ( 2.177 -7.117 -3.630) 8.281 3.316 ( 2.825 8.654 3.676) 9.818 3.334 ( 1.607 -12.010 3.750) 12.684 3.583 ( -7.818 3.423 7.410) 11.302 3.761 ( 4.881 2.913 -6.867) 8.914 3.916 ( -6.456 0.446 4.855) 8.090 4.099 ( -1.365 -0.069 -0.976) 1.679 4.212 ( 2.813 -0.776 2.810) 4.051 4.429 ( 3.375 -8.485 -2.320) 9.421 4.451 ( 3.656 -0.209 -1.361) 3.907 4.497 ( 2.257 -0.595 1.481) 2.764 4.750 ( 9.163 2.263 4.254) 10.353 4.846 ( 5.240 6.539 -1.434) 8.501 4.936 ( 6.373 -3.733 2.140) 7.689 5.045 ( 0.965 -2.266 0.459) 2.505 5.260 ( -2.216 5.580 -3.313) 6.857 5.306 ( 5.668 -2.830 4.215) 7.609 5.342 ( -0.925 1.720 -6.627) 6.909 5.754 ( -2.148 -2.962 -1.695) 4.032 6.157 ( 2.014 -0.292 -0.573) 2.114 6.202 ( 4.401 3.486 -1.844) 5.909 6.506 ( 0.121 -6.282 -2.230) 6.667 6.708 ( 4.980 0.625 2.519) 5.616 6.982 ( -0.461 -0.737 2.424) 2.575 7.120 ( -1.599 3.314 -4.596) 5.887 7.383 ( 0.584 -4.999 2.659) 5.693 7.631 ( -3.773 -0.758 1.055) 3.990 8.619 ( -0.147 1.160 -2.553) 2.808 8.818 ( -4.989 2.219 0.583) 5.491 8.909 ( 6.852 -2.014 -0.156) 7.143 9.200 ( 1.044 -3.133 -2.905) 4.398 9.452 ( -5.301 -2.663 -3.501) 6.888 9.496 ( -13.506 -3.825 -0.307) 14.040 9.509 ( 1.660 1.706 -0.344) 2.405 9.624 ( -1.729 1.499 4.552) 5.094 9.719 ( -0.765 -1.504 3.155) 3.578 9.913 ( 6.215 0.473 -2.387) 6.675 10.122 ( 8.422 2.512 -0.147) 8.790 10.392 ( -2.038 4.863 -1.436) 5.465 11.249 ( -4.804 -1.274 0.840) 5.041 11.265 ( -3.473 0.016 0.501) 3.509 11.662 ( -2.495 -1.227 1.235) 3.042 11.742 ( -3.598 0.963 1.180) 3.907 12.734 ( 11.766 -6.081 -0.036) 13.245 13.024 ( 2.548 -0.294 -0.238) 2.576 13.247 ( -1.183 2.561 0.275) 2.834 13.335 ( -0.326 1.362 -0.638) 1.539 13.438 ( 1.599 -3.494 0.264) 3.851 13.708 ( 0.271 0.992 -0.981) 1.422 13.907 ( -10.664 -9.923 -0.046) 14.566 13.966 ( -4.671 -3.529 0.422) 5.870 14.044 ( 11.553 13.149 -0.016) 17.504 14.282 ( 1.528 0.748 -0.008) 1.701 14.428 ( 3.716 1.500 0.109) 4.009 15.053 ( -6.429 7.159 -0.274) 9.626 15.432 ( -2.932 7.557 -0.565) 8.126 15.568 ( -0.314 0.190 -0.552) 0.662 15.638 ( -2.153 -1.359 2.243) 3.394 15.727 ( -0.068 -1.313 -0.138) 1.322 16.573 ( -1.601 2.381 0.268) 2.881 16.671 ( -0.339 -0.716 -0.643) 1.020 16.700 ( -0.791 0.619 0.673) 1.209 16.852 ( 0.107 -4.228 -2.897) 5.127 19.208 ( 4.535 -2.123 1.797) 5.320 19.345 ( 2.684 -1.851 -2.121) 3.890 20.067 ( -1.220 -1.806 1.934) 2.914 20.397 ( 1.041 4.136 -1.611) 4.559 21.109 ( -2.535 -1.371 7.763) 8.281 21.525 ( 1.901 -0.266 -4.070) 4.500 23.055 ( 0.584 3.830 5.167) 6.458 23.447 ( -0.902 -2.492 -2.408) 3.581 26.636 ( 0.540 -0.990 -0.152) 1.138 26.751 ( -0.597 0.878 -0.010) 1.062 29.125 ( 0.458 0.595 0.869) 1.149 29.467 ( -6.104 6.443 -0.962) 8.928 29.998 ( -15.758 1.224 7.325) 17.420 30.474 ( 9.688 1.006 0.198) 9.742 30.811 ( 2.470 3.727 -0.532) 4.503 30.943 ( 2.094 -0.303 -0.608) 2.202 31.010 ( 10.823 9.425 -3.845) 14.857 31.501 ( -1.793 -12.615 12.095) 17.568 32.178 ( -0.258 0.563 1.623) 1.737 32.239 ( -1.313 -0.189 0.521) 1.425 32.551 ( -0.050 0.682 -1.852) 1.974 32.954 ( -0.820 -6.269 -11.377) 13.016 33.558 ( -2.615 2.091 5.365) 6.324 33.980 ( 4.064 -2.361 -2.754) 5.447 35.532 ( -1.260 -1.190 -3.929) 4.295 35.808 ( 1.359 1.142 0.590) 1.870 35.963 ( -3.747 -5.469 -18.021) 19.202 36.157 ( -2.256 1.139 6.888) 7.337 36.421 ( 1.309 5.440 -5.243) 7.668 36.669 ( 0.884 -0.372 -2.997) 3.147 37.223 ( -7.857 7.085 21.370) 23.846 38.562 ( 9.379 -8.119 -5.309) 13.493 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -19.599 16.103 -8.982) 26.909 0.980 ( -9.534 8.793 0.972) 13.006 1.091 ( 0.968 0.944 -0.170) 1.363 1.213 ( -13.494 15.389 4.561) 20.969 1.474 ( -26.009 10.564 2.869) 28.219 2.140 ( 2.815 -6.430 -1.093) 7.104 2.170 ( 0.144 -3.723 -1.955) 4.208 2.239 ( 3.741 0.056 -6.249) 7.283 2.484 ( -7.522 -1.911 8.228) 11.311 2.551 ( -6.247 4.437 -2.882) 8.187 2.602 ( -12.184 5.925 -0.154) 13.549 2.917 ( -1.832 3.894 -1.919) 4.712 3.074 ( 5.109 -6.306 -4.257) 9.164 3.198 ( -8.377 -5.106 -5.978) 11.489 3.406 ( 3.460 -3.204 -0.419) 4.734 3.495 ( -6.418 1.305 13.255) 14.785 3.554 ( 6.810 -4.292 -2.518) 8.434 3.724 ( 2.622 2.123 2.968) 4.493 3.878 ( 6.135 9.348 1.220) 11.248 4.024 ( -6.284 -0.918 4.249) 7.642 4.354 ( 2.270 -4.804 6.440) 8.349 4.508 ( 2.751 -1.418 -1.731) 3.546 4.554 ( 2.655 -5.320 0.254) 5.951 4.603 ( 9.030 -3.454 5.627) 11.186 4.849 ( 3.677 5.201 -3.881) 7.459 4.919 ( 6.712 -1.297 6.995) 9.781 5.076 ( 7.368 -1.381 -4.119) 8.554 5.092 ( 4.566 0.991 -2.400) 5.253 5.184 ( 1.370 2.980 -3.683) 4.931 5.297 ( 1.900 -2.862 -8.072) 8.773 5.461 ( 7.794 0.204 6.811) 10.353 5.721 ( -2.745 -3.036 -5.387) 6.765 6.215 ( 4.155 -1.389 0.496) 4.409 6.253 ( 7.363 3.292 -1.453) 8.195 6.566 ( 1.125 -7.371 -2.556) 7.882 6.803 ( 6.153 3.598 2.491) 7.550 6.991 ( 0.315 -0.902 -0.244) 0.986 7.046 ( -0.393 2.373 -2.772) 3.670 7.452 ( -2.386 -5.905 2.959) 7.023 7.572 ( -5.142 -1.433 0.458) 5.358 8.603 ( 1.377 0.544 -2.550) 2.948 8.714 ( -5.130 1.216 -0.145) 5.274 9.022 ( 2.350 -2.087 1.464) 3.467 9.192 ( -4.526 -2.204 -3.947) 6.397 9.303 ( -10.634 -1.621 -0.609) 10.774 9.332 ( -10.221 -0.065 0.201) 10.223 9.517 ( 1.620 -1.865 -1.302) 2.793 9.650 ( 5.483 3.945 1.678) 6.960 9.762 ( -1.878 -5.833 2.752) 6.717 9.990 ( 3.168 0.473 -1.248) 3.438 10.159 ( 1.314 3.363 0.473) 3.641 10.375 ( 8.981 5.363 -2.165) 10.682 11.175 ( -7.233 -1.591 1.394) 7.536 11.218 ( -3.143 -1.585 -0.545) 3.562 11.624 ( -4.764 -1.626 1.225) 5.180 11.668 ( -4.922 1.330 1.247) 5.248 12.995 ( 11.253 -5.509 -0.418) 12.536 13.079 ( 3.897 -1.093 -0.349) 4.062 13.208 ( -0.652 2.305 0.778) 2.518 13.292 ( -1.763 2.669 -0.170) 3.203 13.535 ( 4.510 -5.231 -0.416) 6.919 13.714 ( 1.635 0.137 0.323) 1.673 13.831 ( -12.789 -12.926 0.131) 18.184 13.937 ( -0.709 -0.769 -0.397) 1.119 14.097 ( 10.109 11.064 -0.455) 14.994 14.292 ( -1.191 1.252 0.617) 1.834 14.412 ( -2.445 4.266 -0.703) 4.967 14.874 ( -0.747 13.887 -0.602) 13.920 15.313 ( -2.672 5.454 -0.076) 6.074 15.543 ( 0.225 3.007 -1.179) 3.238 15.632 ( -2.374 -1.103 1.840) 3.200 15.709 ( -2.602 0.459 0.305) 2.660 16.544 ( 0.083 1.503 0.703) 1.661 16.645 ( -2.779 -0.458 -1.095) 3.022 16.678 ( -0.756 0.834 -1.267) 1.695 16.869 ( -2.894 -6.630 -4.430) 8.483 19.328 ( 5.341 -3.608 1.266) 6.569 19.408 ( 4.224 -2.017 -2.471) 5.293 20.075 ( -1.917 -2.631 1.828) 3.733 20.349 ( 1.619 7.141 -3.000) 7.913 21.147 ( -2.234 -3.299 10.892) 11.598 21.539 ( 2.338 -0.859 -4.242) 4.919 23.054 ( 0.336 4.441 5.025) 6.714 23.441 ( -0.533 -2.284 -2.740) 3.607 26.658 ( 0.854 -1.336 -0.175) 1.595 26.728 ( -0.840 1.183 0.079) 1.453 29.123 ( 1.722 4.068 0.111) 4.419 29.290 ( -5.060 9.206 -0.392) 10.512 29.738 ( -18.004 2.978 5.630) 19.097 30.620 ( 7.950 -0.057 -0.244) 7.954 30.813 ( 2.605 3.079 -0.567) 4.073 30.983 ( 3.136 -0.085 -0.406) 3.164 31.070 ( 11.824 9.733 -4.687) 16.015 31.653 ( -4.762 -14.595 4.958) 16.133 32.166 ( -1.285 0.604 0.480) 1.499 32.214 ( -1.764 1.152 0.725) 2.228 32.519 ( -2.676 -0.979 -2.897) 4.063 32.865 ( -4.653 -2.251 -25.234) 25.758 33.519 ( -2.450 2.740 3.409) 5.013 34.045 ( 3.205 -2.374 -3.450) 5.274 35.517 ( 0.440 -0.749 -1.741) 1.946 35.803 ( -4.818 -1.843 -13.292) 14.258 35.811 ( -0.993 0.756 -4.165) 4.348 36.157 ( -2.146 0.087 6.406) 6.756 36.334 ( -0.350 8.013 -2.927) 8.538 36.661 ( 0.257 -0.558 -3.620) 3.671 37.306 ( 0.826 -2.938 38.379) 38.500 38.787 ( 11.559 -8.476 -4.757) 15.103 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -14.876 5.423 14.068) 21.180 0.626 ( -26.397 12.345 5.855) 29.723 0.904 ( -14.826 21.411 27.612) 37.956 1.071 ( -9.010 2.038 -5.879) 10.950 1.101 ( 0.419 1.279 1.438) 1.970 2.063 ( -9.646 4.767 -8.044) 13.434 2.186 ( -3.512 0.995 -0.262) 3.660 2.232 ( 0.233 -6.816 -1.643) 7.015 2.344 ( -5.766 3.426 -2.332) 7.101 2.419 ( -5.051 0.872 0.118) 5.127 2.471 ( -1.722 6.253 2.327) 6.891 2.860 ( -2.297 -0.612 -0.493) 2.428 3.040 ( -3.496 -4.087 -14.275) 15.254 3.223 ( 5.034 -3.399 -2.618) 6.614 3.343 ( -9.967 4.592 10.411) 15.126 3.468 ( 0.649 -3.073 0.525) 3.185 3.672 ( -1.899 5.600 -2.271) 6.334 3.789 ( 11.673 -4.594 -2.808) 12.855 3.929 ( 5.101 3.490 -5.775) 8.459 4.069 ( 2.265 -1.224 14.828) 15.050 4.383 ( -7.852 -4.000 0.148) 8.813 4.554 ( 3.661 1.172 0.883) 3.944 4.628 ( 0.883 -5.116 1.176) 5.323 4.743 ( 0.476 5.343 -4.016) 6.701 4.937 ( 3.815 -3.828 7.428) 9.186 5.039 ( 7.291 -1.783 10.159) 12.631 5.136 ( 4.333 0.894 -0.412) 4.443 5.165 ( 3.860 -4.906 -4.550) 7.725 5.197 ( 4.557 2.018 -1.642) 5.247 5.337 ( 4.214 -0.995 -5.376) 6.903 5.602 ( 3.257 -7.084 -0.500) 7.813 5.717 ( 6.374 0.006 0.530) 6.396 6.304 ( 2.674 -0.966 2.362) 3.696 6.357 ( 9.529 -0.534 3.628) 10.210 6.653 ( 1.109 -7.834 -0.957) 7.970 6.819 ( 1.410 4.561 -0.098) 4.775 7.014 ( -0.604 2.491 1.388) 2.915 7.071 ( 10.542 1.479 -2.556) 10.948 7.413 ( -9.418 -2.533 3.785) 10.461 7.529 ( -2.318 -1.566 -0.955) 2.957 8.619 ( 2.565 -0.043 -2.279) 3.432 8.644 ( -3.111 -0.211 -0.555) 3.167 8.980 ( -10.614 -2.354 0.825) 10.903 9.090 ( -4.774 2.724 0.433) 5.514 9.141 ( -6.182 -0.238 -0.004) 6.186 9.265 ( -0.556 -0.302 -0.868) 1.074 9.577 ( 4.027 -0.266 -0.578) 4.077 9.726 ( 5.314 0.294 0.446) 5.340 9.781 ( -5.000 -7.163 -0.619) 8.757 9.959 ( -3.760 0.483 0.608) 3.840 10.222 ( 6.932 0.508 1.116) 7.040 10.474 ( 9.071 3.247 -2.098) 9.861 11.081 ( -7.698 -2.099 1.358) 8.094 11.172 ( -2.728 1.066 -1.604) 3.340 11.575 ( -3.672 -1.173 1.110) 4.012 11.584 ( -4.402 0.658 -0.495) 4.479 13.119 ( 3.982 0.015 -0.687) 4.041 13.174 ( 3.326 -1.088 -0.063) 3.501 13.194 ( 0.085 0.566 0.126) 0.586 13.248 ( -0.271 0.969 -0.417) 1.089 13.634 ( 2.642 -2.245 -0.048) 3.467 13.737 ( -6.169 -5.070 -0.010) 7.985 13.764 ( -4.960 -6.367 0.184) 8.073 13.995 ( 5.151 -4.966 -0.407) 7.167 14.129 ( -4.297 -2.553 -2.015) 5.389 14.167 ( -2.566 5.227 -0.371) 5.835 14.352 ( -1.988 3.230 0.363) 3.810 14.705 ( 4.267 29.482 -8.444) 30.963 15.275 ( 0.444 -0.929 0.378) 1.096 15.476 ( -1.519 7.472 -8.724) 11.586 15.587 ( -5.463 -1.977 -0.332) 5.819 15.643 ( -3.812 4.759 -0.742) 6.142 16.552 ( 0.709 0.659 1.237) 1.571 16.590 ( -3.394 -1.439 -2.904) 4.693 16.628 ( -3.312 0.604 -6.278) 7.124 16.782 ( -10.359 -3.336 -5.825) 12.344 19.442 ( 3.286 -2.985 1.089) 4.571 19.477 ( 4.133 -1.454 -2.150) 4.881 20.081 ( -3.179 -4.617 1.243) 5.741 20.256 ( 0.383 10.755 -6.676) 12.664 21.269 ( 1.470 -8.739 11.758) 14.723 21.559 ( 2.577 -0.151 -4.179) 4.912 23.039 ( -0.660 3.764 4.237) 5.706 23.440 ( 0.265 -1.511 -3.232) 3.578 26.682 ( 0.770 -0.801 -0.132) 1.119 26.707 ( -0.672 0.701 0.104) 0.976 29.098 ( 5.546 12.619 -1.562) 13.872 29.137 ( -1.946 10.128 -0.256) 10.316 29.488 ( -12.875 1.253 3.236) 13.335 30.707 ( 3.391 0.502 0.559) 3.473 30.817 ( 0.015 3.028 -6.669) 7.325 30.981 ( -17.284 3.942 -35.464) 39.648 31.063 ( 0.683 6.450 -9.116) 11.189 31.367 ( -34.987 -3.477 -31.642) 47.301 32.140 ( -1.078 0.222 0.083) 1.104 32.156 ( -2.944 2.736 -1.734) 4.378 32.404 ( -6.571 -0.621 -3.868) 7.650 32.563 ( -0.735 8.360 -8.629) 12.037 33.493 ( -1.632 0.829 5.932) 6.207 34.079 ( 1.974 -1.297 -4.861) 5.405 35.546 ( 1.836 -0.144 1.753) 2.543 35.728 ( 4.996 -0.613 6.039) 7.862 35.794 ( 0.167 1.170 -1.162) 1.657 36.166 ( -2.211 -1.143 5.162) 5.731 36.235 ( -1.615 6.626 0.401) 6.831 36.648 ( 0.525 -0.448 -4.008) 4.067 37.983 ( 33.822 -27.732 60.816) 74.910 39.000 ( 8.779 -5.523 -3.294) 10.882 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.089 -0.000 -1.786) 5.393 1.061 ( 7.461 -0.000 -0.676) 7.491 1.386 ( 11.989 -0.000 19.584) 22.962 1.389 ( 11.291 -0.000 19.227) 22.297 1.588 ( -1.826 0.000 -5.729) 6.013 1.938 ( 21.076 -0.000 -13.174) 24.854 2.137 ( 24.819 -0.000 11.038) 27.162 2.285 ( 1.025 -0.000 1.149) 1.540 2.431 ( 0.305 -0.000 -2.607) 2.625 2.482 ( -7.456 0.000 -28.990) 29.933 2.689 ( 15.333 -0.000 2.433) 15.525 2.770 ( -0.487 0.000 3.290) 3.326 2.990 ( 8.286 -0.000 4.603) 9.479 3.167 ( -4.725 0.000 3.039) 5.618 3.361 ( 0.555 -0.000 2.452) 2.514 3.402 ( 4.644 -0.000 -4.955) 6.791 3.579 ( 4.409 -0.000 -2.292) 4.969 3.803 ( -9.060 0.000 -3.314) 9.647 3.928 ( -13.165 0.000 12.541) 18.182 4.064 ( -5.145 0.000 5.857) 7.796 4.228 ( 12.633 -0.000 -4.685) 13.473 4.428 ( -16.870 0.000 3.954) 17.327 4.632 ( -3.470 0.000 -0.114) 3.472 4.655 ( -0.279 0.000 2.391) 2.407 4.769 ( -6.213 0.000 -7.413) 9.672 4.887 ( -1.912 0.000 1.457) 2.404 5.011 ( -12.837 0.000 -1.738) 12.954 5.019 ( 2.360 -0.000 0.003) 2.360 5.326 ( -0.671 0.000 1.251) 1.420 5.342 ( -8.782 0.000 -2.620) 9.165 5.497 ( -5.655 0.000 1.518) 5.855 5.804 ( -3.425 0.000 -4.195) 5.416 6.299 ( -0.953 0.000 2.756) 2.916 6.451 ( -13.551 0.000 -1.410) 13.624 6.597 ( -12.577 0.000 0.965) 12.614 6.683 ( -5.769 0.000 -1.162) 5.885 6.983 ( 3.717 -0.000 -5.234) 6.420 7.160 ( 0.760 -0.000 2.093) 2.227 7.462 ( 2.484 -0.000 1.575) 2.941 7.587 ( 2.309 -0.000 1.197) 2.601 8.652 ( 3.981 -0.000 -3.260) 5.145 8.672 ( 1.034 -0.000 0.710) 1.254 9.081 ( -3.593 0.000 1.928) 4.077 9.223 ( -0.559 0.000 -4.277) 4.313 9.322 ( 12.631 -0.000 -0.257) 12.634 9.330 ( 13.460 -0.000 0.156) 13.461 9.544 ( -0.457 0.000 -2.418) 2.461 9.547 ( -4.594 0.000 1.629) 4.874 9.855 ( -0.747 0.000 5.243) 5.296 9.928 ( 3.310 -0.000 -1.221) 3.528 10.161 ( -6.113 0.000 1.393) 6.269 10.302 ( -8.661 0.000 -4.778) 9.891 11.177 ( 6.028 -0.000 0.552) 6.053 11.246 ( 3.212 -0.000 0.142) 3.215 11.603 ( 5.306 -0.000 0.241) 5.311 11.646 ( 3.639 -0.000 1.998) 4.152 13.046 ( -6.160 0.000 -1.498) 6.339 13.085 ( -6.176 0.000 0.537) 6.199 13.182 ( 0.901 -0.000 -0.370) 0.974 13.225 ( 0.194 -0.000 0.354) 0.404 13.635 ( -5.145 0.000 -1.625) 5.396 13.696 ( -2.122 0.000 2.133) 3.008 13.934 ( -7.996 0.000 -0.673) 8.024 13.943 ( -4.750 0.000 0.635) 4.792 14.169 ( 21.437 -0.000 -6.662) 22.448 14.212 ( 16.233 -0.000 2.709) 16.457 14.413 ( 1.554 -0.000 2.067) 2.587 14.446 ( 1.839 -0.000 -1.078) 2.132 15.281 ( 4.196 -0.000 1.987) 4.643 15.339 ( 7.119 -0.000 -2.663) 7.601 15.621 ( 2.085 -0.000 0.733) 2.210 15.742 ( 6.395 -0.000 -0.444) 6.411 16.495 ( 1.911 -0.000 -0.108) 1.914 16.636 ( -0.259 0.000 -2.230) 2.245 16.710 ( 0.890 -0.000 2.254) 2.423 16.796 ( 6.719 -0.000 -6.781) 9.546 19.280 ( -7.159 0.000 -0.628) 7.187 19.468 ( -4.853 0.000 -0.305) 4.862 20.015 ( 1.884 -0.000 -0.267) 1.903 20.247 ( 4.033 -0.000 0.063) 4.033 21.116 ( -4.536 0.000 7.722) 8.956 21.573 ( 0.812 -0.000 -2.379) 2.513 23.065 ( -1.560 0.000 7.004) 7.175 23.390 ( 0.280 -0.000 -5.488) 5.495 26.685 ( -0.076 0.000 -0.579) 0.584 26.702 ( 0.046 -0.000 0.465) 0.467 29.096 ( 4.198 -0.000 -2.201) 4.740 29.173 ( 9.422 -0.000 2.951) 9.874 29.707 ( 15.139 -0.000 8.302) 17.266 30.371 ( 28.032 -0.000 -22.518) 35.957 30.738 ( -3.556 0.000 -3.042) 4.679 30.749 ( -0.993 0.000 3.344) 3.488 31.031 ( -3.396 0.000 3.238) 4.692 31.059 ( -2.843 0.000 -3.124) 4.224 32.170 ( 0.324 -0.000 -0.005) 0.325 32.173 ( 3.019 -0.000 -0.310) 3.035 32.566 ( 2.551 -0.000 -1.484) 2.951 32.723 ( 9.908 -0.000 -10.233) 14.243 33.539 ( -2.367 0.000 8.328) 8.658 33.994 ( -0.664 0.000 -6.849) 6.881 35.658 ( 2.609 -0.000 3.189) 4.120 35.708 ( -2.125 0.000 -3.991) 4.522 36.017 ( -0.467 0.000 -6.905) 6.920 36.193 ( -2.242 0.000 7.125) 7.470 36.362 ( 8.775 -0.000 -5.059) 10.129 36.631 ( 1.682 -0.000 -4.984) 5.260 38.089 ( -32.890 0.000 30.832) 45.082 38.855 ( -13.073 0.000 -6.290) 14.507 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 3.595 -0.337 -1.425) 3.881 1.092 ( 1.019 2.458 -1.672) 3.143 1.524 ( 2.087 1.937 -4.824) 5.602 1.598 ( 13.497 7.821 8.166) 17.607 1.844 ( 11.675 -15.759 13.907) 24.043 2.078 ( -15.308 -1.746 -16.852) 22.833 2.195 ( 13.906 0.047 -6.565) 15.378 2.292 ( 4.483 6.899 0.475) 8.241 2.426 ( -1.550 -5.344 -3.895) 6.792 2.555 ( 13.493 -5.673 4.175) 15.221 2.743 ( -1.323 5.903 -0.322) 6.058 2.992 ( 15.335 -1.482 2.761) 15.652 3.052 ( -3.157 1.235 2.545) 4.239 3.188 ( 6.626 5.829 1.572) 8.964 3.277 ( -4.571 8.661 3.513) 10.404 3.545 ( 6.225 -11.717 -4.091) 13.884 3.659 ( 0.244 0.123 1.154) 1.185 3.660 ( -1.723 -1.308 -4.494) 4.987 3.776 ( -11.311 -0.469 10.139) 15.197 4.032 ( -1.747 -1.692 -2.951) 3.824 4.187 ( -12.105 2.371 5.615) 13.553 4.394 ( 8.374 -1.022 -1.877) 8.642 4.587 ( -3.969 0.554 3.242) 5.155 4.659 ( -1.337 -0.144 1.563) 2.062 4.673 ( -0.005 1.333 -1.646) 2.118 4.760 ( -13.016 -0.137 -0.674) 13.034 4.777 ( -12.843 0.220 0.225) 12.847 5.108 ( 2.106 1.473 -0.512) 2.621 5.150 ( -4.237 -1.839 -2.742) 5.371 5.347 ( 2.776 -0.411 -1.188) 3.048 5.507 ( 1.627 -0.829 1.189) 2.179 5.695 ( -3.818 1.202 -6.939) 8.011 6.265 ( -5.038 3.260 3.382) 6.888 6.306 ( -3.311 -0.002 1.126) 3.497 6.439 ( -7.087 -1.270 -2.777) 7.717 6.612 ( -2.185 -1.235 -0.857) 2.652 7.008 ( 4.186 2.967 -2.222) 5.591 7.197 ( 1.833 -0.412 0.124) 1.883 7.457 ( -2.340 3.389 1.599) 4.418 7.612 ( -1.252 -1.901 2.128) 3.116 8.683 ( 3.275 2.125 -1.925) 4.353 8.729 ( 3.622 -2.459 -0.565) 4.415 8.992 ( -5.068 3.719 1.655) 6.500 9.178 ( -2.222 -1.867 -4.593) 5.433 9.467 ( -0.414 -0.969 -0.804) 1.326 9.481 ( 6.882 2.114 -0.685) 7.232 9.507 ( 0.212 -1.818 2.545) 3.135 9.565 ( 5.083 -0.367 -2.038) 5.489 9.870 ( 0.163 3.088 5.075) 5.943 9.921 ( -6.625 -2.644 1.273) 7.246 10.105 ( -1.368 4.882 -3.097) 5.941 10.236 ( 4.137 -7.345 -2.349) 8.751 11.253 ( 3.064 0.160 0.574) 3.122 11.284 ( 1.827 0.407 0.796) 2.034 11.670 ( 2.804 1.198 0.468) 3.085 11.724 ( 3.869 -0.451 1.896) 4.332 12.868 ( -10.739 7.571 -0.337) 13.144 12.989 ( -6.282 -3.573 -0.295) 7.233 13.197 ( 1.387 -0.414 -0.588) 1.563 13.272 ( 0.446 -5.055 0.678) 5.120 13.519 ( -3.252 5.382 -0.431) 6.302 13.686 ( -3.677 -5.072 0.287) 6.271 13.861 ( -2.461 -2.588 0.021) 3.571 13.914 ( -2.000 -2.514 -0.184) 3.218 14.270 ( 12.238 16.057 -0.827) 20.206 14.328 ( 2.569 4.042 -0.750) 4.847 14.407 ( -0.007 2.219 0.865) 2.382 14.760 ( 12.268 -20.239 0.095) 23.667 15.390 ( 6.293 -0.133 2.186) 6.663 15.454 ( 7.415 -2.493 -2.108) 8.102 15.644 ( -0.003 0.386 1.328) 1.383 15.797 ( 1.941 1.934 -0.850) 2.869 16.545 ( 3.103 -0.516 1.087) 3.328 16.629 ( 0.276 -1.445 -1.841) 2.356 16.720 ( -1.223 0.347 1.726) 2.144 16.835 ( 2.923 0.079 -4.588) 5.441 19.178 ( -4.070 1.256 0.490) 4.287 19.380 ( -4.980 0.207 -1.123) 5.109 20.043 ( 2.153 0.987 0.049) 2.369 20.327 ( 4.054 -2.350 -0.179) 4.689 21.100 ( -3.066 0.374 6.648) 7.331 21.562 ( 0.162 0.749 -2.422) 2.541 23.082 ( -1.102 1.431 7.485) 7.699 23.370 ( 0.240 -2.490 -5.660) 6.188 26.667 ( -0.144 1.971 -0.376) 2.012 26.720 ( 0.229 -1.992 0.234) 2.019 29.139 ( 5.385 3.782 -1.604) 6.773 29.405 ( 13.032 -3.844 2.430) 13.803 29.963 ( 5.104 -3.090 10.602) 12.166 30.458 ( -7.435 -4.287 -5.585) 10.239 30.762 ( 12.902 1.476 -8.140) 15.326 30.792 ( 1.840 -1.197 2.408) 3.258 31.011 ( 3.179 3.065 0.157) 4.419 31.075 ( 2.688 -3.596 1.533) 4.744 32.168 ( -0.522 0.109 0.502) 0.732 32.216 ( 2.303 -0.220 -0.303) 2.333 32.590 ( 1.848 0.739 -1.347) 2.403 32.801 ( 6.812 -2.226 -11.012) 13.139 33.556 ( -2.011 -0.230 7.922) 8.177 33.940 ( -0.411 0.404 -6.126) 6.153 35.637 ( -2.962 0.106 -4.467) 5.361 35.724 ( 2.949 -0.427 2.197) 3.702 35.981 ( 0.303 -2.343 -8.990) 9.295 36.201 ( -2.344 0.783 8.169) 8.534 36.453 ( 6.840 0.534 -4.773) 8.358 36.629 ( 1.722 -0.683 -4.812) 5.156 37.798 ( -22.699 5.993 27.321) 36.023 38.576 ( -12.291 1.884 -10.537) 16.298 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.223 2.041 -2.376) 3.140 1.077 ( 1.955 0.545 0.702) 2.147 1.516 ( 5.657 2.403 -1.858) 6.421 1.727 ( 1.342 -4.342 -2.777) 5.326 1.933 ( 2.495 -0.608 -3.436) 4.289 2.101 ( 1.554 0.764 -2.014) 2.656 2.258 ( 1.143 -1.456 4.501) 4.867 2.337 ( -1.837 6.808 -2.764) 7.574 2.466 ( 6.216 -7.614 -2.668) 10.185 2.635 ( -2.276 4.598 2.278) 5.614 2.778 ( 5.105 -2.621 6.635) 8.772 2.945 ( -7.473 -0.637 4.456) 8.724 3.012 ( -4.921 12.011 -7.427) 14.954 3.206 ( 3.032 -1.198 -0.921) 3.388 3.257 ( -0.929 4.675 8.293) 9.565 3.600 ( -0.478 8.314 6.756) 10.724 3.639 ( 0.755 -4.800 -1.551) 5.101 3.712 ( 2.721 -6.929 -6.981) 10.205 3.843 ( 6.442 -5.343 -2.685) 8.789 4.017 ( -1.018 -7.161 -6.079) 9.448 4.071 ( -5.824 -0.898 3.541) 6.875 4.428 ( -13.369 4.286 1.847) 14.161 4.467 ( -0.871 0.096 0.322) 0.934 4.566 ( -5.823 1.577 1.806) 6.297 4.656 ( 4.887 -1.686 -0.133) 5.172 4.709 ( -0.334 -1.122 8.146) 8.230 4.769 ( 5.354 -3.437 0.086) 6.363 5.065 ( 1.635 -0.803 -2.312) 2.944 5.194 ( 2.384 3.540 1.956) 4.695 5.391 ( 3.624 -0.101 -3.223) 4.851 5.478 ( -2.751 4.199 -2.440) 5.582 5.663 ( 1.113 -5.079 -3.731) 6.400 6.184 ( -3.826 2.686 2.842) 5.471 6.269 ( 0.974 2.692 -2.474) 3.784 6.377 ( -2.902 -4.204 -1.224) 5.253 6.632 ( 3.273 -0.559 0.655) 3.385 7.025 ( 2.904 4.146 0.476) 5.084 7.213 ( 0.826 0.607 -2.186) 2.414 7.372 ( -4.667 3.049 2.462) 6.094 7.612 ( -4.158 -4.145 1.461) 6.050 8.686 ( 1.306 2.562 -2.310) 3.689 8.791 ( 2.267 -1.295 -0.219) 2.620 8.920 ( -1.422 1.770 0.780) 2.400 9.143 ( -0.916 -1.795 -4.055) 4.528 9.414 ( -6.129 -3.960 -0.508) 7.314 9.511 ( -5.361 -4.679 3.492) 7.927 9.544 ( 1.697 2.029 -0.370) 2.671 9.603 ( -1.461 -0.123 -1.369) 2.006 9.839 ( -1.723 2.744 2.178) 3.904 9.867 ( -0.257 -0.678 -1.182) 1.387 10.097 ( 9.082 6.422 0.274) 11.126 10.388 ( 5.579 -4.582 -1.720) 7.421 11.273 ( -1.479 -0.570 0.559) 1.681 11.305 ( -0.255 0.084 0.874) 0.914 11.676 ( -0.881 0.761 0.150) 1.174 11.775 ( 0.591 0.084 1.795) 1.892 12.653 ( -4.708 5.944 -0.173) 7.585 12.951 ( -3.795 -5.328 -0.206) 6.545 13.219 ( 0.043 -2.522 -0.813) 2.650 13.324 ( -0.794 -4.842 0.591) 4.942 13.443 ( 0.076 5.266 0.149) 5.269 13.677 ( -3.755 -5.481 -0.978) 6.716 13.847 ( -2.244 -0.790 -0.052) 2.380 13.934 ( 0.679 -2.572 0.468) 2.701 14.267 ( 4.097 6.477 -0.610) 7.688 14.339 ( 4.013 6.918 0.214) 8.000 14.414 ( 8.099 8.037 0.400) 11.417 15.051 ( 4.568 -10.556 -0.066) 11.502 15.489 ( 4.599 -0.486 0.450) 4.646 15.569 ( 4.799 -1.804 -1.638) 5.382 15.630 ( -1.476 1.335 1.675) 2.602 15.767 ( -1.147 3.225 -0.246) 3.432 16.600 ( 2.259 -0.883 0.715) 2.528 16.651 ( 0.371 -2.768 -0.623) 2.861 16.688 ( -2.577 1.020 0.767) 2.875 16.833 ( -0.046 0.089 -3.007) 3.009 19.141 ( -0.487 0.543 1.750) 1.896 19.310 ( -2.662 -0.953 -1.898) 3.406 20.063 ( 1.665 1.718 0.942) 2.571 20.405 ( 3.534 -1.301 -0.790) 3.848 21.091 ( -2.910 -0.087 6.062) 6.725 21.539 ( 0.059 0.564 -2.989) 3.042 23.094 ( -0.972 1.844 7.103) 7.402 23.372 ( -0.301 -4.239 -4.719) 6.350 26.645 ( 0.072 1.807 -0.226) 1.822 26.742 ( 0.055 -1.740 0.061) 1.742 29.171 ( 5.147 5.499 -0.461) 7.546 29.627 ( 11.200 3.706 0.355) 11.803 30.019 ( -9.392 -5.571 7.015) 12.980 30.370 ( -5.415 -7.917 0.800) 9.625 30.831 ( 1.165 0.422 1.123) 1.672 30.866 ( 3.758 -1.708 -3.131) 5.181 31.088 ( 13.224 6.140 -5.646) 15.635 31.214 ( 5.078 -1.629 10.852) 12.091 32.165 ( -0.630 -0.517 1.568) 1.767 32.241 ( 1.011 0.285 -0.066) 1.052 32.593 ( 0.860 1.600 -1.052) 2.099 32.842 ( 2.682 -4.479 -10.837) 12.029 33.573 ( -2.099 -0.303 6.943) 7.260 33.911 ( 1.139 -0.525 -4.573) 4.742 35.565 ( -2.451 -0.350 -4.541) 5.172 35.783 ( 2.657 -0.111 1.075) 2.868 35.946 ( -0.997 -3.595 -11.072) 11.683 36.201 ( -2.570 1.659 8.050) 8.612 36.504 ( 4.644 2.161 -4.322) 6.702 36.642 ( 1.708 -1.521 -3.802) 4.437 37.577 ( -15.312 9.068 21.249) 27.717 38.369 ( -4.608 -3.037 -10.353) 11.733 ======================= Grid point 81 (33/93) ======================= q-point: (-0.50 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.512 1.031 -2.177) 2.844 1.104 ( 0.710 0.288 0.580) 0.961 1.691 ( 10.026 -3.471 0.676) 10.632 1.773 ( 1.809 -4.563 -0.268) 4.915 1.838 ( -9.617 6.179 -4.671) 12.348 1.989 ( -3.032 15.400 -2.980) 15.976 2.123 ( -6.979 6.911 -1.337) 9.912 2.285 ( 3.369 7.916 -2.128) 8.862 2.561 ( -3.523 -6.163 4.804) 8.572 2.567 ( -5.306 4.268 2.478) 7.247 2.881 ( 2.534 0.752 -6.216) 6.754 2.915 ( 2.147 -2.303 -0.974) 3.295 2.972 ( 1.071 -13.535 7.947) 15.732 3.173 ( -7.316 -4.143 1.835) 8.606 3.192 ( -2.306 10.535 -0.863) 10.819 3.559 ( 1.100 11.876 1.738) 12.052 3.626 ( -4.687 0.557 5.012) 6.885 3.745 ( 1.920 -5.013 -1.504) 5.575 3.924 ( -0.986 0.550 -2.685) 2.913 4.046 ( 1.790 -5.204 -4.862) 7.343 4.126 ( 1.251 -15.908 -5.316) 16.819 4.248 ( -4.209 1.146 3.373) 5.514 4.479 ( 3.478 0.006 1.520) 3.796 4.509 ( -2.504 2.109 3.373) 4.700 4.773 ( 3.269 0.069 6.223) 7.030 4.842 ( 10.745 -4.290 1.585) 11.678 4.900 ( 5.533 -1.345 1.593) 5.913 5.078 ( 1.588 3.787 -1.546) 4.387 5.239 ( 4.552 -1.069 3.413) 5.789 5.363 ( -3.352 1.528 -3.325) 4.962 5.403 ( 2.494 5.155 -5.570) 7.988 5.694 ( -1.524 -3.222 -1.268) 3.783 6.136 ( -1.382 -0.223 0.641) 1.540 6.274 ( 5.042 2.580 -2.977) 6.398 6.392 ( -0.607 -5.368 -1.528) 5.614 6.723 ( 7.302 1.093 1.965) 7.641 7.025 ( 1.602 4.561 2.022) 5.240 7.179 ( -0.729 2.373 -3.943) 4.659 7.317 ( -2.823 -1.530 2.765) 4.238 7.575 ( -6.590 -4.515 0.685) 8.017 8.651 ( -0.387 2.125 -2.474) 3.284 8.858 ( -0.232 -2.043 -1.690) 2.661 8.874 ( 0.972 1.944 2.912) 3.634 9.142 ( 1.406 -2.808 -5.133) 6.017 9.340 ( -8.886 -6.088 -2.154) 10.985 9.424 ( -12.722 -3.890 4.215) 13.956 9.519 ( -4.763 -1.092 0.384) 4.902 9.573 ( -1.105 -2.826 1.005) 3.196 9.819 ( 3.617 7.065 1.305) 8.044 9.922 ( 6.966 0.641 -1.990) 7.273 10.210 ( 10.203 5.621 1.333) 11.725 10.446 ( 1.276 0.516 -2.029) 2.452 11.222 ( -6.152 -1.376 0.506) 6.324 11.264 ( -5.271 -0.066 0.620) 5.308 11.639 ( -3.555 -0.977 -0.187) 3.692 11.762 ( -3.072 0.867 1.906) 3.718 12.660 ( 8.484 -1.133 -0.167) 8.561 12.970 ( -0.378 -5.393 -0.161) 5.409 13.239 ( -0.617 -3.098 -0.447) 3.190 13.340 ( -1.672 -1.730 -0.153) 2.411 13.417 ( 1.564 2.800 0.718) 3.286 13.661 ( -3.631 -4.399 -0.801) 5.760 13.808 ( -1.523 1.557 -0.766) 2.309 13.962 ( -0.235 -0.618 1.029) 1.223 14.282 ( 5.426 6.175 -0.346) 8.227 14.334 ( 3.153 4.712 0.031) 5.670 14.496 ( 11.144 8.723 0.486) 14.160 15.106 ( -4.102 -1.200 -0.256) 4.281 15.544 ( 0.141 -0.698 -0.304) 0.774 15.563 ( -1.241 3.382 0.147) 3.606 15.636 ( 2.076 1.083 -1.008) 2.549 15.734 ( 0.423 2.032 1.535) 2.582 16.622 ( -1.106 2.172 0.408) 2.471 16.650 ( -0.460 -1.163 -0.492) 1.344 16.680 ( -0.195 -2.792 0.479) 2.839 16.799 ( -2.193 -0.840 -2.724) 3.597 19.169 ( 1.803 -1.536 1.786) 2.966 19.299 ( 0.668 -2.679 -2.221) 3.543 20.074 ( 0.986 2.009 1.668) 2.791 20.450 ( 3.228 1.418 -1.635) 3.886 21.085 ( -3.298 -1.062 6.266) 7.160 21.520 ( 0.565 -0.228 -3.752) 3.801 23.103 ( -1.628 1.270 6.947) 7.247 23.377 ( -1.036 -4.346 -4.061) 6.037 26.635 ( 0.603 0.964 -0.123) 1.144 26.752 ( -0.464 -0.793 -0.038) 0.920 29.193 ( 4.728 5.899 0.549) 7.580 29.631 ( -0.041 10.595 -1.577) 10.712 29.932 ( -13.494 -6.707 5.244) 15.955 30.465 ( 6.094 -5.444 2.560) 8.563 30.843 ( 0.745 0.723 0.345) 1.094 30.907 ( 1.117 -2.913 -1.268) 3.367 31.207 ( 15.385 8.878 -6.572) 18.940 31.350 ( 0.996 -1.169 12.038) 12.136 32.177 ( -0.614 -0.836 2.669) 2.864 32.241 ( -0.381 0.684 -0.115) 0.792 32.571 ( -0.884 1.604 -1.654) 2.468 32.844 ( -0.217 -5.233 -9.504) 10.852 33.575 ( -2.921 -0.085 5.350) 6.096 33.933 ( 2.745 -2.278 -3.203) 4.794 35.517 ( -0.915 -0.398 -3.156) 3.310 35.821 ( 1.726 0.208 -0.383) 1.781 35.876 ( -3.059 -3.374 -12.086) 12.915 36.187 ( -3.034 1.691 7.177) 7.973 36.509 ( 3.075 3.632 -4.112) 6.289 36.654 ( 0.591 -1.198 -3.090) 3.366 37.398 ( -10.067 10.141 17.881) 22.889 38.379 ( 4.033 -10.020 -7.275) 13.023 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.654 2.151 -1.548) 2.730 1.076 ( -3.474 1.291 0.538) 3.745 1.405 ( -10.157 23.760 -11.415) 28.249 1.562 ( -14.734 16.558 3.757) 22.480 1.790 ( -9.156 19.724 4.030) 22.116 1.947 ( 4.719 -7.925 -5.882) 10.939 2.099 ( 6.591 -6.779 8.099) 12.449 2.266 ( 4.178 4.857 -3.770) 7.434 2.492 ( -3.229 2.309 3.338) 5.186 2.551 ( -6.125 -3.145 1.471) 7.041 2.739 ( -11.377 7.167 -3.900) 14.000 2.948 ( 0.672 -4.181 -1.571) 4.517 3.011 ( -6.571 1.799 -6.444) 9.377 3.163 ( 3.982 -0.306 2.238) 4.578 3.248 ( 3.255 -14.049 4.072) 14.985 3.482 ( 3.852 7.513 -2.404) 8.779 3.583 ( -5.244 3.080 6.901) 9.198 3.799 ( 1.303 3.263 -8.027) 8.763 3.866 ( -2.327 -6.270 9.906) 11.953 4.055 ( -0.172 -0.733 -1.508) 1.685 4.253 ( -3.100 -4.703 6.306) 8.455 4.365 ( 10.208 -14.039 -2.207) 17.498 4.479 ( -1.624 -2.073 1.389) 2.977 4.575 ( 5.442 1.624 2.192) 6.087 4.875 ( 2.632 -2.127 7.280) 8.028 4.944 ( 2.084 2.640 -2.779) 4.363 5.045 ( 8.968 -2.207 -3.462) 9.863 5.103 ( 6.237 1.967 -0.290) 6.546 5.241 ( -0.710 1.566 -3.653) 4.037 5.309 ( -0.234 4.266 -5.614) 7.055 5.441 ( 6.610 -3.276 4.081) 8.431 5.657 ( -5.096 -1.748 -0.928) 5.467 6.166 ( 3.012 -2.750 0.233) 4.085 6.328 ( 6.907 2.863 -3.069) 8.083 6.433 ( 0.084 -6.226 -2.273) 6.629 6.859 ( 9.103 2.147 2.737) 9.745 7.011 ( 0.656 3.979 1.055) 4.168 7.118 ( 1.103 3.822 -3.462) 5.274 7.337 ( -2.171 -5.302 2.980) 6.458 7.509 ( -6.918 -4.493 -0.238) 8.253 8.617 ( 0.211 0.953 -2.355) 2.550 8.752 ( -5.848 2.319 -0.652) 6.325 8.973 ( 0.737 -2.654 3.092) 4.141 9.145 ( -2.305 -3.192 -5.599) 6.845 9.246 ( -4.552 -2.947 0.485) 5.445 9.312 ( -7.712 -2.635 -0.618) 8.173 9.434 ( -7.325 -4.586 0.641) 8.666 9.616 ( -1.487 -6.007 2.061) 6.522 9.813 ( 3.962 8.565 1.641) 9.579 10.014 ( 6.398 2.013 -1.546) 6.883 10.255 ( 0.420 5.859 1.843) 6.156 10.468 ( 7.959 3.286 -2.700) 9.024 11.137 ( -7.465 -2.433 1.020) 7.917 11.175 ( -6.070 -2.179 -0.238) 6.454 11.586 ( -4.921 -2.138 0.014) 5.365 11.693 ( -5.297 1.069 1.371) 5.575 12.879 ( 12.569 -5.372 -0.273) 13.671 13.038 ( 3.271 -3.696 -0.394) 4.952 13.243 ( -1.942 -1.387 1.116) 2.634 13.307 ( -1.945 1.423 -0.768) 2.530 13.460 ( 4.138 -1.861 0.346) 4.550 13.642 ( -3.109 -3.453 -0.020) 4.647 13.770 ( 0.099 2.908 -0.548) 2.961 13.954 ( -0.198 0.973 -0.087) 0.997 14.285 ( 1.771 7.008 -0.551) 7.250 14.351 ( 3.072 3.229 1.252) 4.629 14.553 ( 5.872 10.218 -0.335) 11.789 15.012 ( -3.114 2.687 -0.049) 4.113 15.446 ( -4.160 6.790 -0.023) 7.963 15.568 ( -1.272 -1.897 0.072) 2.285 15.638 ( 1.680 2.876 -2.220) 4.003 15.749 ( 3.227 3.427 2.282) 5.231 16.582 ( -0.472 2.011 -0.534) 2.134 16.633 ( -2.573 -0.455 -0.565) 2.673 16.693 ( -1.084 0.196 -0.047) 1.103 16.759 ( -3.365 -3.941 -2.623) 5.808 19.246 ( 3.272 -4.185 0.789) 5.370 19.347 ( 2.482 -3.974 -2.149) 5.155 20.076 ( 0.232 2.054 2.172) 2.999 20.459 ( 3.429 4.271 -3.484) 6.492 21.089 ( -3.552 -2.500 7.473) 8.644 21.518 ( 1.604 -1.162 -4.441) 4.862 23.100 ( -3.361 0.328 6.934) 7.712 23.378 ( -0.641 -3.998 -3.958) 5.662 26.645 ( 1.234 0.069 -0.038) 1.237 26.743 ( -1.006 0.147 -0.052) 1.018 29.216 ( 4.683 5.764 1.180) 7.520 29.491 ( -1.253 10.309 -2.005) 10.577 29.766 ( -16.140 -0.902 5.066) 16.940 30.631 ( 8.537 -0.058 0.852) 8.580 30.847 ( 0.595 0.882 -0.007) 1.064 30.955 ( 2.146 -3.315 -1.795) 4.338 31.300 ( 13.458 11.965 -6.001) 18.982 31.431 ( -1.984 -5.631 4.901) 7.724 32.180 ( -1.524 0.570 2.151) 2.697 32.222 ( -0.942 0.216 -0.034) 0.967 32.502 ( -4.953 -0.394 -4.207) 6.511 32.822 ( -0.006 -2.434 -10.563) 10.840 33.548 ( -3.609 0.299 3.340) 4.926 33.988 ( 2.761 -3.259 -3.150) 5.307 35.508 ( 0.996 -0.145 -0.454) 1.104 35.763 ( -4.417 -1.645 -8.895) 10.066 35.836 ( 0.961 1.120 -1.319) 1.979 36.167 ( -2.947 0.834 6.287) 6.993 36.479 ( 2.103 5.998 -4.265) 7.654 36.645 ( -0.284 -1.058 -3.653) 3.814 37.319 ( -5.722 4.783 24.679) 25.782 38.563 ( 8.360 -13.720 -5.753) 17.065 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -10.063 20.989 0.392) 23.280 0.923 ( -11.112 15.549 -0.583) 19.120 1.106 ( 0.082 5.261 -3.843) 6.515 1.202 ( -10.007 13.692 1.996) 17.077 1.469 ( -5.457 28.636 21.636) 36.304 2.057 ( 2.894 -8.196 -6.988) 11.153 2.211 ( 0.107 9.153 -6.302) 11.114 2.235 ( -1.198 -0.253 1.208) 1.720 2.419 ( -6.872 2.954 2.292) 7.824 2.457 ( -3.159 2.361 -3.506) 5.277 2.549 ( -2.655 3.310 4.383) 6.101 2.858 ( -4.551 -2.287 -6.061) 7.917 2.956 ( -2.033 -1.794 -4.673) 5.403 3.214 ( 6.310 5.985 0.602) 8.718 3.415 ( 0.203 -6.059 -1.470) 6.238 3.451 ( -6.209 3.821 5.431) 9.091 3.541 ( 2.836 -6.472 -4.557) 8.408 3.800 ( 4.239 -0.794 1.058) 4.441 3.950 ( -3.319 -4.371 5.176) 7.545 4.086 ( 5.999 3.267 1.912) 7.093 4.272 ( -5.601 -6.705 4.900) 10.017 4.506 ( -0.143 -5.810 0.309) 5.820 4.593 ( 3.643 1.919 0.940) 4.224 4.723 ( 5.667 -15.316 9.752) 19.021 4.853 ( -2.368 4.175 -6.635) 8.189 5.007 ( 1.105 -3.439 4.528) 5.792 5.072 ( 0.975 -0.864 -5.079) 5.243 5.173 ( 4.373 4.033 2.139) 6.321 5.259 ( 5.822 0.084 -6.030) 8.383 5.311 ( 6.117 0.328 -1.754) 6.372 5.545 ( -2.526 0.324 -1.196) 2.813 5.629 ( 1.681 -7.337 2.439) 7.913 6.266 ( 4.193 -2.449 1.520) 5.088 6.385 ( 5.489 2.039 -1.478) 6.040 6.495 ( 1.200 -7.670 -1.780) 7.964 6.899 ( -0.560 4.516 -1.294) 4.731 7.068 ( 8.582 -0.042 0.808) 8.620 7.118 ( 5.472 5.395 -0.501) 7.701 7.336 ( -7.638 -5.028 3.798) 9.902 7.471 ( -2.261 -3.888 -0.971) 4.601 8.613 ( 1.237 -0.412 -2.252) 2.602 8.652 ( -3.508 1.105 -0.652) 3.735 8.944 ( -5.311 -0.909 1.269) 5.536 9.115 ( -1.606 -2.085 0.754) 2.738 9.143 ( -11.580 1.663 0.243) 11.701 9.253 ( 0.667 -0.738 -1.913) 2.156 9.472 ( 1.216 -9.148 -0.103) 9.229 9.645 ( -3.433 -6.472 -0.309) 7.333 9.801 ( 2.420 6.711 2.523) 7.567 10.014 ( -1.092 5.404 -0.563) 5.542 10.245 ( 3.725 1.776 1.847) 4.521 10.559 ( 8.191 4.148 -2.299) 9.465 11.044 ( -6.927 -2.009 1.367) 7.341 11.137 ( -2.721 -3.953 -0.990) 4.900 11.535 ( -4.130 -2.585 0.308) 4.882 11.603 ( -4.828 0.898 -0.545) 4.941 13.087 ( 6.274 -4.887 -0.311) 7.959 13.126 ( 4.487 -1.216 -0.488) 4.674 13.228 ( -2.633 -1.415 1.609) 3.395 13.253 ( -0.837 3.051 -1.030) 3.327 13.572 ( 5.244 -3.403 0.011) 6.252 13.640 ( 0.174 -2.038 0.332) 2.072 13.744 ( 0.058 2.572 0.053) 2.574 13.961 ( 1.305 0.223 -0.035) 1.324 14.154 ( -9.451 4.790 -1.001) 10.643 14.332 ( -1.637 5.623 0.735) 5.902 14.515 ( 5.489 12.266 0.637) 13.453 14.997 ( 4.413 4.443 -2.590) 6.777 15.321 ( -2.716 6.172 0.590) 6.769 15.545 ( -3.932 -2.150 0.111) 4.483 15.601 ( 0.939 4.251 -3.877) 5.829 15.783 ( 5.832 7.557 -4.218) 10.436 16.551 ( -2.788 -1.056 -3.393) 4.517 16.587 ( -0.879 2.091 0.888) 2.436 16.643 ( -2.595 0.882 -2.453) 3.678 16.724 ( -4.042 -2.117 0.036) 4.563 19.352 ( 2.841 -5.689 0.402) 6.372 19.414 ( 2.215 -4.586 -2.327) 5.600 20.067 ( -0.845 1.931 2.551) 3.309 20.427 ( 3.176 6.822 -7.816) 10.850 21.122 ( -3.496 -5.296 9.246) 11.214 21.538 ( 2.597 -1.757 -4.989) 5.893 23.070 ( -5.825 -0.823 6.145) 8.507 23.391 ( 0.840 -3.305 -3.908) 5.187 26.670 ( 1.649 -0.280 0.037) 1.673 26.720 ( -1.310 0.492 -0.017) 1.399 29.232 ( 3.005 7.107 2.043) 7.982 29.415 ( 7.451 9.473 -3.121) 12.449 29.532 ( -13.851 2.817 3.512) 14.564 30.727 ( 4.145 1.543 0.142) 4.425 30.847 ( 0.469 0.643 -0.256) 0.837 30.983 ( -1.462 -2.014 -11.648) 11.911 31.310 ( -15.690 -0.884 -10.603) 18.957 31.330 ( 9.203 15.107 -17.734) 25.048 32.150 ( -1.827 0.752 0.516) 2.042 32.197 ( -1.651 1.336 -1.938) 2.876 32.389 ( -4.679 -0.813 -1.629) 5.021 32.727 ( 0.198 5.442 -14.896) 15.860 33.510 ( -2.787 0.552 4.447) 5.277 34.034 ( 1.832 -3.075 -4.254) 5.560 35.543 ( 1.717 -0.111 1.727) 2.438 35.719 ( 2.663 -0.214 5.189) 5.837 35.824 ( 0.781 1.656 -1.504) 2.370 36.158 ( -2.336 0.007 5.425) 5.906 36.399 ( 0.458 8.645 -4.947) 9.970 36.631 ( 0.372 -1.222 -4.048) 4.245 37.509 ( 0.375 -14.206 44.062) 46.297 38.801 ( 7.447 -14.107 -4.692) 16.627 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 1.068 20.708 9.435) 22.781 0.636 ( 3.288 13.984 17.712) 22.805 1.045 ( -1.431 3.623 1.962) 4.362 1.108 ( 8.132 6.523 3.089) 10.873 1.373 ( 4.666 24.571 29.105) 38.374 1.965 ( -2.935 13.169 -15.805) 20.781 2.052 ( -5.998 0.322 -8.249) 10.204 2.198 ( -0.686 -0.958 2.676) 2.924 2.346 ( 1.276 1.304 2.124) 2.800 2.426 ( 2.545 2.076 -0.447) 3.314 2.560 ( 3.120 4.697 2.681) 6.244 2.822 ( -0.671 -5.109 -8.336) 9.800 2.902 ( -0.063 2.501 -3.078) 3.966 3.267 ( -1.529 2.060 5.028) 5.644 3.307 ( -0.329 1.468 -1.816) 2.358 3.469 ( 1.651 1.563 -3.879) 4.496 3.589 ( -2.310 -7.168 -5.247) 9.178 3.901 ( 5.547 -2.273 -0.889) 6.061 3.972 ( 1.020 -1.274 2.904) 3.331 4.111 ( -4.805 -0.093 3.729) 6.083 4.227 ( -8.598 -2.059 0.667) 8.866 4.577 ( 0.115 -4.279 2.175) 4.802 4.599 ( 0.145 -0.247 1.087) 1.124 4.751 ( -0.535 0.812 -5.249) 5.338 4.886 ( -4.247 -5.352 1.755) 7.054 5.013 ( -4.039 -2.553 -1.857) 5.127 5.132 ( 0.367 1.074 3.262) 3.454 5.249 ( 2.662 -1.567 0.548) 3.137 5.293 ( 1.406 3.128 -0.439) 3.458 5.373 ( 3.505 0.288 -1.307) 3.752 5.594 ( 4.911 -11.892 5.575) 14.022 5.735 ( -2.534 -10.084 3.410) 10.942 6.310 ( -2.026 -1.521 1.470) 2.929 6.524 ( 11.068 -6.655 3.088) 13.278 6.602 ( 2.426 -8.136 -0.380) 8.498 6.840 ( -0.949 0.195 -3.163) 3.308 7.085 ( -3.378 6.803 0.303) 7.601 7.210 ( 4.725 -1.871 0.870) 5.156 7.304 ( -1.930 -1.383 3.560) 4.279 7.475 ( -0.262 -2.668 -0.798) 2.797 8.603 ( -0.858 -0.134 -0.222) 0.897 8.639 ( 1.898 -0.537 -1.995) 2.806 8.934 ( 4.439 0.538 2.512) 5.129 9.014 ( -1.273 -0.020 -0.883) 1.550 9.129 ( -0.054 -1.220 1.505) 1.939 9.253 ( 0.207 -0.106 -1.596) 1.613 9.537 ( -5.084 -7.143 2.283) 9.060 9.660 ( 1.990 -1.476 -2.436) 3.474 9.790 ( -1.080 0.989 3.507) 3.801 9.936 ( -0.418 4.491 -1.242) 4.678 10.317 ( 2.270 0.132 3.604) 4.261 10.577 ( 0.181 3.833 -2.977) 4.857 10.995 ( -1.592 -0.720 1.563) 2.344 11.141 ( 1.002 -1.786 -2.336) 3.107 11.517 ( -1.074 -2.188 -0.036) 2.438 11.535 ( -1.039 0.066 -1.324) 1.684 13.160 ( -1.685 -2.362 0.434) 2.933 13.172 ( 1.218 0.706 0.094) 1.411 13.211 ( -2.190 0.169 -0.436) 2.240 13.223 ( 1.241 -0.368 -0.934) 1.596 13.648 ( 0.911 -0.854 0.955) 1.571 13.701 ( -2.730 -4.223 -0.331) 5.039 13.715 ( 3.242 5.257 1.336) 6.319 13.845 ( -2.818 4.449 -2.071) 5.659 14.115 ( 3.121 -0.602 0.785) 3.274 14.221 ( -3.979 4.079 -2.177) 6.100 14.465 ( 2.298 13.945 2.567) 14.365 14.916 ( -1.085 16.984 -14.487) 22.350 15.252 ( -1.149 3.743 1.478) 4.185 15.502 ( -1.769 14.005 -13.272) 19.375 15.531 ( -0.134 0.313 0.030) 0.342 15.612 ( -3.732 6.567 -4.030) 8.561 16.542 ( -2.230 1.699 -1.261) 3.074 16.546 ( 6.875 0.217 -0.558) 6.901 16.627 ( 2.114 1.042 1.253) 2.669 16.686 ( -1.847 0.030 -0.047) 1.848 19.417 ( -2.603 -5.194 0.583) 5.839 19.484 ( 2.401 -4.569 -1.548) 5.388 20.038 ( -2.507 2.025 2.527) 4.096 20.315 ( 0.883 10.055 -9.814) 14.078 21.175 ( -6.569 -7.785 8.660) 13.370 21.560 ( 1.640 -1.381 -4.994) 5.435 23.028 ( -4.166 -1.541 5.672) 7.204 23.412 ( 1.303 -1.877 -3.843) 4.471 26.694 ( -0.165 0.013 0.100) 0.193 26.698 ( 0.278 0.178 -0.058) 0.336 29.170 ( -1.297 10.228 1.621) 10.436 29.383 ( -1.711 0.714 1.523) 2.400 29.527 ( 10.802 1.811 -2.798) 11.304 30.094 ( -23.387 58.099 -57.928) 85.312 30.756 ( 0.334 1.489 1.330) 2.025 30.843 ( -0.073 0.557 -0.670) 0.874 31.100 ( -0.813 2.060 1.363) 2.600 31.280 ( 0.031 6.581 -3.250) 7.340 32.130 ( -0.424 0.509 -0.140) 0.677 32.145 ( 0.397 1.468 -0.979) 1.808 32.428 ( 5.254 -1.829 2.306) 6.022 32.616 ( 3.564 6.285 -8.400) 11.080 33.511 ( -1.642 0.237 7.018) 7.212 34.051 ( 0.859 -2.275 -5.553) 6.062 35.568 ( 0.456 -0.290 2.418) 2.478 35.783 ( 0.080 0.998 -1.878) 2.128 35.956 ( 12.780 -2.564 5.828) 14.279 36.153 ( -1.679 0.306 3.091) 3.531 36.282 ( -0.531 7.730 -3.595) 8.541 36.631 ( 1.374 -0.761 -4.139) 4.427 38.140 ( -5.469 -47.093 46.912) 66.696 38.984 ( 1.910 -11.498 -3.115) 12.064 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.252 -0.000 0.697) 2.357 1.090 ( -0.755 0.000 -1.930) 2.072 1.581 ( 6.457 -0.000 -2.784) 7.032 1.644 ( -13.377 0.000 -4.664) 14.167 1.958 ( 8.866 -0.000 0.690) 8.893 2.036 ( 15.756 -0.000 6.478) 17.036 2.297 ( 3.916 -0.000 -2.210) 4.497 2.305 ( -5.848 0.000 -4.268) 7.240 2.460 ( 6.149 -0.000 1.882) 6.431 2.727 ( 8.084 -0.000 5.769) 9.931 2.740 ( -0.405 0.000 -3.984) 4.005 2.935 ( -10.192 0.000 4.298) 11.061 3.182 ( -7.405 0.000 6.658) 9.958 3.286 ( -4.961 0.000 -11.197) 12.247 3.293 ( 2.085 -0.000 8.970) 9.209 3.448 ( 8.361 -0.000 -9.940) 12.989 3.617 ( 2.494 -0.000 -3.921) 4.647 3.722 ( -0.851 0.000 9.473) 9.511 3.730 ( 1.702 -0.000 -4.359) 4.679 3.988 ( 1.736 -0.000 -6.841) 7.058 4.060 ( -10.500 0.000 7.681) 13.010 4.448 ( -2.486 0.000 -1.820) 3.081 4.499 ( -11.127 0.000 4.069) 11.848 4.576 ( -6.479 0.000 3.268) 7.257 4.629 ( 0.141 -0.000 2.791) 2.794 4.709 ( 4.562 -0.000 0.526) 4.592 4.727 ( 4.803 -0.000 3.139) 5.738 5.058 ( 1.088 -0.000 -2.700) 2.911 5.232 ( 4.504 -0.000 0.391) 4.521 5.396 ( 4.473 -0.000 -3.280) 5.547 5.543 ( 1.679 -0.000 2.040) 2.642 5.578 ( -3.208 0.000 -8.845) 9.409 6.236 ( -4.256 0.000 6.830) 8.047 6.291 ( -0.807 0.000 -1.378) 1.597 6.321 ( -2.811 0.000 -5.183) 5.896 6.627 ( 4.681 -0.000 1.154) 4.821 7.077 ( 3.981 -0.000 -1.506) 4.256 7.217 ( 1.048 -0.000 -1.233) 1.619 7.423 ( -5.558 0.000 1.976) 5.899 7.545 ( -6.099 0.000 2.144) 6.465 8.738 ( 2.548 -0.000 -5.143) 5.740 8.750 ( 1.114 -0.000 2.427) 2.671 8.962 ( -3.092 0.000 3.358) 4.565 9.093 ( -1.005 0.000 -6.804) 6.878 9.421 ( -6.361 0.000 4.080) 7.557 9.427 ( -5.681 0.000 -0.959) 5.762 9.557 ( -3.201 0.000 0.548) 3.247 9.605 ( 0.610 -0.000 -2.027) 2.117 9.850 ( 1.048 -0.000 1.519) 1.845 9.874 ( 0.179 -0.000 -1.144) 1.158 10.205 ( 6.872 -0.000 3.706) 7.807 10.303 ( 9.811 -0.000 -4.202) 10.673 11.267 ( -1.676 0.000 0.207) 1.689 11.305 ( -0.516 0.000 1.115) 1.229 11.685 ( -1.569 0.000 -1.059) 1.893 11.776 ( 0.814 -0.000 2.944) 3.054 12.795 ( -7.855 0.000 -0.965) 7.914 12.813 ( -5.596 0.000 0.461) 5.615 13.193 ( -0.251 0.000 -1.787) 1.805 13.268 ( 1.035 -0.000 1.827) 2.100 13.526 ( -0.334 0.000 0.396) 0.518 13.591 ( -2.451 0.000 -0.913) 2.616 13.861 ( 2.331 -0.000 1.359) 2.698 13.894 ( -0.298 0.000 -1.402) 1.434 14.307 ( 1.930 -0.000 -0.978) 2.164 14.365 ( -1.588 0.000 0.449) 1.650 14.702 ( 11.590 -0.000 0.393) 11.597 14.808 ( 11.602 -0.000 0.015) 11.602 15.502 ( 4.537 -0.000 2.899) 5.384 15.535 ( 6.000 -0.000 -3.102) 6.755 15.645 ( -0.782 0.000 1.834) 1.993 15.805 ( -0.877 0.000 -1.527) 1.761 16.597 ( 2.106 -0.000 1.685) 2.698 16.611 ( 0.123 -0.000 -1.348) 1.353 16.699 ( -2.544 0.000 0.946) 2.714 16.834 ( -0.038 0.000 -3.144) 3.144 19.149 ( -1.580 0.000 2.434) 2.902 19.298 ( -3.563 0.000 -2.392) 4.291 20.088 ( 2.401 -0.000 0.347) 2.426 20.386 ( 4.682 -0.000 -0.342) 4.694 21.090 ( -3.345 0.000 6.024) 6.891 21.545 ( -0.602 0.000 -2.603) 2.672 23.117 ( -2.160 0.000 9.007) 9.262 23.319 ( 0.342 -0.000 -6.879) 6.888 26.680 ( 0.349 -0.000 -0.811) 0.883 26.709 ( -0.138 0.000 0.676) 0.690 29.250 ( 6.993 -0.000 -2.517) 7.432 29.659 ( 15.459 -0.000 3.959) 15.958 29.992 ( -3.250 0.000 7.169) 7.872 30.223 ( -13.702 0.000 -3.625) 14.174 30.837 ( 1.263 -0.000 1.787) 2.188 30.852 ( 3.026 -0.000 -2.170) 3.723 31.170 ( 15.085 -0.000 -10.490) 18.374 31.192 ( 7.082 -0.000 16.320) 17.791 32.159 ( -1.049 0.000 1.092) 1.514 32.246 ( 1.572 -0.000 -0.079) 1.574 32.615 ( 1.497 -0.000 -0.109) 1.501 32.791 ( 1.969 -0.000 -11.335) 11.505 33.569 ( -2.008 0.000 6.607) 6.906 33.905 ( 0.434 -0.000 -5.058) 5.076 35.562 ( -2.415 0.000 -4.549) 5.150 35.781 ( 2.864 -0.000 1.004) 3.035 35.909 ( -0.768 0.000 -10.126) 10.155 36.219 ( -2.625 0.000 8.280) 8.686 36.531 ( 5.557 -0.000 -3.435) 6.533 36.619 ( 1.335 -0.000 -4.613) 4.802 37.675 ( -16.130 0.000 23.951) 28.876 38.335 ( -8.113 0.000 -13.369) 15.638 ======================= Grid point 88 (38/93) ======================= q-point: (-0.62 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.249 0.874 -1.675) 1.906 1.110 ( 0.422 0.271 1.571) 1.649 1.560 ( 1.413 -4.424 3.942) 6.092 1.699 ( 7.068 -2.202 0.763) 7.443 2.023 ( 1.766 7.724 -2.691) 8.368 2.157 ( -6.962 1.468 -2.672) 7.600 2.245 ( 9.148 6.011 -0.590) 10.962 2.394 ( 4.150 -3.290 -0.523) 5.322 2.491 ( -2.867 -0.391 3.600) 4.619 2.693 ( 1.159 4.788 -0.798) 4.991 2.752 ( -7.929 -1.713 0.663) 8.139 2.938 ( -8.608 3.474 3.635) 9.969 2.943 ( 4.609 3.351 1.809) 5.978 3.141 ( -4.390 1.637 -1.064) 4.805 3.387 ( 1.872 6.916 0.059) 7.166 3.523 ( 0.662 -8.560 -7.658) 11.505 3.617 ( -3.571 -6.725 -4.798) 9.000 3.729 ( 2.484 0.420 1.225) 2.801 3.812 ( 2.676 -6.039 1.509) 6.776 3.933 ( -5.175 -0.629 1.085) 5.325 3.973 ( -1.793 -1.997 -6.253) 6.804 4.305 ( -7.680 2.499 3.641) 8.859 4.464 ( -0.510 -0.771 0.216) 0.949 4.567 ( 1.870 3.203 4.078) 5.512 4.714 ( 2.263 -4.303 9.610) 10.770 4.824 ( 9.905 1.169 1.606) 10.102 4.867 ( 7.457 -1.595 2.828) 8.133 5.102 ( 4.337 -0.418 -1.641) 4.656 5.238 ( -0.890 0.153 -0.838) 1.233 5.407 ( -2.226 2.003 -3.880) 4.901 5.493 ( 3.753 4.799 -4.781) 7.745 5.610 ( 0.802 -5.235 -1.096) 5.408 6.171 ( -4.286 3.274 3.250) 6.297 6.292 ( -1.004 -4.315 -2.799) 5.241 6.304 ( 3.864 0.438 -2.151) 4.444 6.746 ( 8.552 0.896 2.317) 8.905 7.113 ( 3.123 3.100 0.252) 4.408 7.206 ( -0.360 0.523 -3.322) 3.383 7.325 ( -6.017 1.790 2.598) 6.794 7.479 ( -6.416 -4.291 0.929) 7.775 8.700 ( -0.841 2.555 -3.368) 4.310 8.793 ( 0.680 -3.146 0.775) 3.311 8.930 ( -1.708 2.568 2.579) 4.021 9.074 ( 1.195 -3.577 -8.561) 9.355 9.290 ( -8.494 0.966 2.523) 8.913 9.344 ( -11.489 -3.910 4.450) 12.926 9.482 ( -4.665 -1.520 -0.514) 4.933 9.547 ( -5.059 -0.442 -0.898) 5.157 9.922 ( 5.925 2.333 1.188) 6.478 9.940 ( 8.613 1.340 -1.207) 8.800 10.311 ( 6.986 3.930 2.932) 8.535 10.423 ( 5.073 -2.089 -3.019) 6.262 11.202 ( -6.751 -0.515 0.266) 6.776 11.263 ( -5.670 -0.031 0.368) 5.682 11.626 ( -4.403 -0.373 -1.712) 4.739 11.773 ( -3.273 0.317 2.820) 4.332 12.693 ( 3.365 4.147 -0.665) 5.381 12.832 ( -0.279 -7.422 0.287) 7.433 13.188 ( 0.116 -1.436 -1.566) 2.128 13.303 ( 1.098 -1.075 1.440) 2.106 13.500 ( 0.369 4.339 0.401) 4.373 13.589 ( -1.022 -3.351 -0.786) 3.590 13.860 ( 0.347 2.806 -0.691) 2.910 13.933 ( 1.977 -2.068 1.031) 3.041 14.342 ( 2.486 1.872 -0.078) 3.113 14.368 ( 3.066 -0.342 -0.635) 3.149 14.754 ( 8.874 13.392 0.956) 16.094 15.011 ( 2.372 -7.906 -0.141) 8.255 15.544 ( 0.502 1.490 0.776) 1.753 15.587 ( 0.412 -1.739 -0.789) 1.954 15.661 ( 2.575 1.803 0.962) 3.288 15.781 ( 1.382 1.587 -1.290) 2.469 16.619 ( 0.559 -1.872 -0.344) 1.984 16.630 ( 0.362 -0.630 0.466) 0.863 16.659 ( -2.158 0.732 0.601) 2.356 16.796 ( -2.541 0.058 -2.242) 3.389 19.154 ( -0.186 -0.130 2.947) 2.956 19.253 ( -0.570 -1.598 -3.243) 3.661 20.118 ( 1.839 1.710 1.276) 2.817 20.461 ( 5.096 -0.030 -1.435) 5.295 21.070 ( -3.857 -0.392 5.652) 6.854 21.517 ( -0.351 -0.076 -3.420) 3.439 23.119 ( -4.188 0.542 8.765) 9.729 23.299 ( 0.294 -2.757 -6.205) 6.796 26.668 ( 0.503 2.079 -0.334) 2.164 26.723 ( -0.255 -1.952 0.230) 1.982 29.321 ( 6.597 5.473 -0.857) 8.614 29.773 ( -6.188 -4.424 3.786) 8.497 29.893 ( -7.023 11.882 -0.965) 13.836 30.245 ( 10.631 -14.070 1.597) 17.707 30.855 ( 0.682 0.396 0.589) 0.985 30.871 ( 0.580 -0.773 -0.847) 1.285 31.337 ( 14.484 4.416 -4.895) 15.914 31.380 ( 4.579 1.248 11.185) 12.151 32.156 ( -0.931 -0.836 2.313) 2.630 32.258 ( 0.282 0.659 -0.183) 0.740 32.624 ( 0.267 3.674 -0.190) 3.688 32.742 ( -1.473 -4.897 -8.469) 9.893 33.568 ( -2.851 -0.298 4.724) 5.525 33.899 ( 1.719 -0.989 -3.761) 4.252 35.513 ( -0.681 -0.029 -2.840) 2.920 35.821 ( 0.383 -0.021 -3.873) 3.892 35.831 ( -0.576 -1.202 -6.153) 6.296 36.214 ( -3.570 0.843 7.261) 8.134 36.569 ( 3.012 2.524 -2.744) 4.792 36.623 ( 0.953 -1.893 -3.525) 4.113 37.576 ( -9.945 6.287 19.244) 22.556 38.207 ( -0.709 -6.006 -11.611) 13.092 ======================= Grid point 89 (39/93) ======================= q-point: (-0.50 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.234 0.464 -0.735) 1.509 1.105 ( -1.272 0.959 0.137) 1.599 1.688 ( 2.639 -2.271 -2.203) 4.120 1.779 ( -1.863 7.627 -1.023) 7.918 1.913 ( -1.062 5.421 0.352) 5.535 1.991 ( -2.133 8.495 5.019) 10.095 2.255 ( 3.744 14.794 0.770) 15.280 2.387 ( 0.078 5.014 -1.648) 5.278 2.476 ( -3.323 -3.796 2.446) 5.606 2.568 ( -3.529 8.805 0.513) 9.500 2.739 ( -3.660 -11.958 -2.081) 12.678 2.871 ( 5.122 -0.539 -8.128) 9.622 3.052 ( -5.236 3.359 1.549) 6.411 3.106 ( 3.681 2.266 -0.930) 4.422 3.202 ( -2.625 5.852 5.817) 8.659 3.582 ( -1.083 -1.858 1.788) 2.797 3.660 ( 1.065 -8.853 0.893) 8.961 3.703 ( -1.185 3.577 -0.989) 3.896 3.848 ( -3.712 -0.172 -7.175) 8.080 3.949 ( 0.742 -9.973 2.015) 10.202 4.046 ( 5.412 -10.386 -3.540) 12.235 4.228 ( -2.277 0.118 5.344) 5.810 4.449 ( -3.561 -1.584 2.269) 4.510 4.619 ( 4.363 2.185 1.739) 5.180 4.846 ( 3.042 -0.668 9.877) 10.356 4.971 ( 2.748 0.313 1.165) 3.001 4.999 ( 9.663 -1.930 -2.699) 10.217 5.134 ( 2.883 1.244 -3.572) 4.756 5.264 ( -3.615 -3.656 -2.545) 5.737 5.313 ( 2.043 0.052 1.834) 2.746 5.464 ( 1.448 5.849 -3.261) 6.852 5.637 ( -1.687 -1.461 -0.329) 2.256 6.133 ( 0.925 -0.214 0.703) 1.182 6.311 ( -0.232 -5.106 -3.555) 6.226 6.369 ( 5.188 0.642 -0.062) 5.228 6.892 ( 9.218 1.310 2.017) 9.526 7.113 ( 0.870 4.973 -1.275) 5.206 7.171 ( 0.533 1.098 -0.843) 1.484 7.265 ( -2.985 -1.626 1.374) 3.666 7.424 ( -5.366 -3.510 -0.254) 6.417 8.643 ( -1.138 1.550 -2.489) 3.145 8.786 ( -4.283 0.763 -1.860) 4.731 8.936 ( 1.183 -0.691 4.827) 5.017 9.064 ( -1.367 -4.171 -7.262) 8.485 9.195 ( -5.981 -3.725 2.771) 7.572 9.247 ( -4.526 -1.938 0.550) 4.954 9.387 ( -9.549 -0.312 0.655) 9.577 9.510 ( -2.817 -4.679 0.453) 5.480 9.971 ( 4.221 6.605 1.882) 8.062 10.061 ( 9.057 2.552 -0.545) 9.425 10.359 ( -0.297 4.232 2.833) 5.101 10.491 ( 6.911 -0.651 -3.570) 7.805 11.089 ( -8.334 -2.009 0.417) 8.583 11.147 ( -8.240 -0.720 -0.346) 8.279 11.547 ( -5.196 -1.613 -1.412) 5.621 11.707 ( -6.031 0.410 1.801) 6.308 12.808 ( 11.195 -1.605 -0.743) 11.333 12.939 ( 4.932 -5.542 0.400) 7.429 13.201 ( 0.309 -1.499 -0.778) 1.717 13.334 ( 1.342 0.434 0.486) 1.492 13.474 ( 1.068 2.847 0.595) 3.098 13.596 ( -0.892 -2.175 -0.358) 2.378 13.843 ( 1.929 3.891 -0.038) 4.343 13.962 ( 0.155 -0.259 -0.145) 0.335 14.378 ( 1.497 2.851 -0.340) 3.238 14.394 ( 2.344 1.290 0.457) 2.714 14.759 ( 4.515 9.418 0.841) 10.478 15.029 ( -2.655 -0.671 0.013) 2.739 15.527 ( -1.594 0.540 0.474) 1.748 15.566 ( -2.105 2.195 0.572) 3.095 15.681 ( 2.127 2.313 -1.041) 3.310 15.819 ( 6.176 2.732 -0.330) 6.761 16.601 ( -2.271 0.175 -1.733) 2.862 16.643 ( -0.517 0.520 1.602) 1.762 16.663 ( 1.197 -1.820 0.366) 2.209 16.730 ( -3.764 -0.020 -2.125) 4.323 19.182 ( 0.801 -2.088 1.775) 2.855 19.269 ( 1.574 -3.488 -3.080) 4.912 20.130 ( 1.125 2.812 2.129) 3.702 20.520 ( 4.997 1.930 -3.111) 6.194 21.050 ( -4.025 -1.392 5.800) 7.196 21.499 ( 0.731 -0.760 -4.498) 4.620 23.088 ( -6.627 -1.001 8.270) 10.645 23.300 ( 0.540 -3.467 -5.400) 6.440 26.661 ( 1.021 1.471 -0.050) 1.791 26.732 ( -0.728 -1.211 0.013) 1.413 29.348 ( 5.064 7.451 1.357) 9.111 29.670 ( -7.317 6.257 -1.413) 9.731 29.702 ( -10.055 -3.948 3.170) 11.258 30.576 ( 15.268 -5.154 -0.873) 16.138 30.860 ( 0.384 0.577 -0.006) 0.694 30.888 ( 1.055 -2.254 -1.448) 2.880 31.423 ( -2.485 2.898 8.782) 9.576 31.496 ( 15.925 7.044 -8.350) 19.312 32.173 ( -0.834 -1.087 3.675) 3.922 32.241 ( -0.574 1.396 -0.758) 1.689 32.518 ( -5.991 2.192 -5.895) 8.686 32.761 ( 0.544 -3.832 -1.775) 4.258 33.543 ( -3.633 -0.437 3.159) 4.835 33.928 ( 2.216 -2.511 -3.161) 4.605 35.508 ( 1.275 0.125 -0.041) 1.282 35.740 ( -3.080 -0.726 -5.146) 6.041 35.851 ( 1.857 0.418 -1.745) 2.583 36.186 ( -3.775 0.937 6.191) 7.312 36.562 ( 1.717 2.703 -2.491) 4.057 36.622 ( -0.510 -1.170 -3.089) 3.343 37.473 ( -6.346 9.679 16.219) 19.925 38.286 ( 4.903 -13.562 -7.783) 16.387 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -3.935 3.638 1.951) 5.703 1.072 ( 0.242 2.487 -0.647) 2.581 1.450 ( -4.446 20.320 -6.149) 21.690 1.590 ( -9.247 23.652 2.130) 25.485 1.876 ( 7.572 -0.297 -8.056) 11.059 2.031 ( -2.560 10.957 12.498) 16.817 2.150 ( 1.031 2.410 5.149) 5.777 2.366 ( 2.681 3.997 -1.260) 4.975 2.427 ( -5.433 0.309 -3.150) 6.287 2.538 ( 3.936 3.628 -2.107) 5.752 2.682 ( -4.279 7.157 0.304) 8.344 2.858 ( -2.757 3.157 -8.632) 9.596 2.930 ( -1.926 2.445 2.689) 4.113 3.116 ( 0.957 -15.196 0.503) 15.234 3.360 ( 8.483 0.533 2.754) 8.935 3.554 ( -3.950 5.801 -3.072) 7.660 3.584 ( -0.122 6.598 1.151) 6.699 3.752 ( -4.787 -2.265 1.874) 5.618 3.833 ( 3.878 -6.248 2.578) 7.792 4.057 ( 2.254 -6.075 2.467) 6.933 4.124 ( -6.137 -9.636 2.082) 11.612 4.392 ( 6.458 -13.228 3.605) 15.155 4.433 ( -1.566 -2.832 1.913) 3.759 4.641 ( 0.096 1.190 -0.319) 1.236 4.914 ( -3.070 1.756 -2.815) 4.520 4.953 ( 0.243 -1.083 -0.781) 1.357 5.067 ( 2.373 -0.111 -0.807) 2.508 5.168 ( 4.247 -3.949 -5.010) 7.664 5.303 ( 6.471 -0.424 3.560) 7.398 5.348 ( 0.106 6.190 1.390) 6.345 5.478 ( 2.926 -5.800 0.052) 6.496 5.578 ( -4.625 1.832 -0.497) 5.000 6.215 ( 5.927 -2.817 0.207) 6.566 6.330 ( -1.718 -6.438 -2.998) 7.307 6.440 ( 4.237 1.168 1.342) 4.595 6.992 ( 0.995 3.749 -2.353) 4.537 7.062 ( 4.488 0.720 -2.932) 5.409 7.211 ( 1.162 -1.357 5.723) 5.996 7.237 ( -1.868 0.053 -2.003) 2.739 7.404 ( -0.534 -2.438 0.149) 2.500 8.611 ( -0.045 0.225 -1.748) 1.763 8.684 ( -3.766 2.125 -2.005) 4.766 8.947 ( -0.670 1.174 1.539) 2.048 9.047 ( -2.996 -4.109 1.622) 5.338 9.173 ( -9.601 1.016 -0.054) 9.655 9.231 ( -1.353 -2.495 -1.270) 3.109 9.291 ( 1.802 -7.462 -0.001) 7.677 9.520 ( -2.545 -5.974 -0.715) 6.533 9.952 ( 0.725 8.135 3.342) 8.825 10.143 ( 5.291 6.461 -0.549) 8.369 10.290 ( -2.185 3.136 2.472) 4.552 10.602 ( 7.418 -0.211 -3.071) 8.032 10.997 ( -6.836 -2.870 0.930) 7.472 11.056 ( -4.271 -3.364 -0.812) 5.497 11.486 ( -3.712 -2.204 -0.656) 4.367 11.613 ( -5.506 0.198 -0.249) 5.515 12.993 ( 7.380 -3.947 -0.471) 8.382 13.073 ( 4.767 -3.969 0.062) 6.203 13.212 ( 0.731 0.499 0.230) 0.914 13.328 ( 0.153 3.588 -0.320) 3.605 13.515 ( 4.323 -1.923 0.394) 4.748 13.604 ( -0.548 -2.131 0.078) 2.202 13.838 ( 3.230 5.585 -0.178) 6.455 13.973 ( 1.990 0.611 0.260) 2.098 14.256 ( -8.780 4.827 -1.205) 10.091 14.421 ( -0.633 3.802 1.437) 4.113 14.718 ( 2.064 7.403 0.773) 7.724 15.026 ( 2.176 0.281 -0.586) 2.271 15.474 ( -1.359 6.738 0.747) 6.914 15.514 ( -2.815 0.083 1.002) 2.989 15.666 ( 0.418 2.977 -1.502) 3.361 15.894 ( 6.887 3.762 -2.628) 8.276 16.547 ( -2.226 0.654 -1.697) 2.875 16.637 ( 0.669 2.517 1.092) 2.824 16.657 ( -2.862 0.393 -1.851) 3.431 16.690 ( -0.783 -1.454 0.512) 1.729 19.241 ( 0.651 -5.091 1.183) 5.267 19.320 ( 2.191 -4.526 -3.402) 6.071 20.125 ( 0.181 3.462 2.775) 4.440 20.534 ( 3.886 4.268 -5.953) 8.292 21.047 ( -3.676 -2.728 6.505) 7.954 21.502 ( 1.950 -1.742 -5.501) 6.090 23.032 ( -8.380 -2.418 7.437) 11.463 23.321 ( 1.820 -3.510 -4.648) 6.103 26.673 ( 1.656 0.562 0.101) 1.751 26.722 ( -1.326 -0.270 -0.040) 1.354 29.365 ( 4.063 6.147 2.800) 7.882 29.539 ( -1.015 4.092 -2.217) 4.764 29.576 ( -10.188 1.348 4.318) 11.147 30.761 ( 6.957 1.622 -1.641) 7.329 30.857 ( 0.002 0.467 -0.445) 0.645 30.930 ( 3.192 -2.908 -8.728) 9.738 31.337 ( -8.697 3.113 0.976) 9.289 31.587 ( 12.628 10.621 -12.728) 20.839 32.170 ( -2.810 1.191 2.485) 3.936 32.219 ( 0.228 1.088 -1.184) 1.624 32.378 ( -4.583 -0.182 -2.010) 5.008 32.765 ( -0.363 -0.840 -6.597) 6.660 33.514 ( -2.641 -0.082 3.941) 4.745 33.968 ( 1.600 -3.330 -3.689) 5.221 35.543 ( 1.608 0.065 1.735) 2.367 35.719 ( 1.814 0.143 5.473) 5.768 35.854 ( 1.262 1.270 -2.339) 2.946 36.162 ( -2.859 0.360 5.411) 6.130 36.532 ( 0.322 4.543 -3.073) 5.494 36.604 ( 0.129 -1.454 -4.171) 4.419 37.424 ( -5.274 3.581 22.491) 23.377 38.486 ( 5.767 -17.056 -6.312) 19.079 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -3.031 11.433 5.580) 13.078 0.997 ( -0.048 13.262 -0.578) 13.275 1.174 ( -1.211 16.440 -3.680) 16.891 1.334 ( 3.112 16.252 5.742) 17.515 1.836 ( 1.562 18.018 9.758) 20.550 2.022 ( 2.461 1.294 -1.441) 3.132 2.232 ( 2.939 -1.144 5.945) 6.730 2.247 ( -0.556 11.851 -11.892) 16.799 2.377 ( 0.208 1.026 -3.031) 3.207 2.476 ( -2.706 6.237 2.517) 7.250 2.574 ( -3.431 3.196 3.667) 5.952 2.829 ( 7.406 3.468 -4.121) 9.157 2.923 ( 0.978 -0.615 -2.379) 2.645 3.244 ( -2.165 -10.695 -7.001) 12.965 3.411 ( 2.536 11.614 -1.550) 11.988 3.447 ( -1.534 -3.005 6.127) 6.995 3.512 ( -0.688 3.623 -2.879) 4.679 3.799 ( 0.591 -7.055 3.915) 8.090 3.922 ( -1.835 -3.418 6.352) 7.443 4.094 ( -8.467 -3.815 4.135) 10.165 4.145 ( -1.115 -6.696 -3.151) 7.483 4.458 ( -0.369 -4.728 2.114) 5.192 4.612 ( -0.871 -9.538 4.969) 10.790 4.633 ( -0.776 -3.345 -1.416) 3.714 4.812 ( 0.355 -0.431 -5.841) 5.868 4.973 ( -2.634 -3.195 -2.692) 4.939 5.142 ( 5.422 0.516 3.866) 6.679 5.231 ( 0.113 -4.493 -2.849) 5.321 5.298 ( 1.937 5.216 3.838) 6.759 5.421 ( 1.825 2.799 1.986) 3.887 5.494 ( -0.418 -2.104 -0.926) 2.336 5.557 ( -1.741 -6.988 -1.319) 7.321 6.273 ( -2.391 -2.037 -0.375) 3.163 6.412 ( 4.612 -8.323 -1.700) 9.666 6.509 ( 3.936 0.119 4.391) 5.898 6.889 ( -2.745 4.034 -6.943) 8.486 7.119 ( -3.349 -3.649 -0.264) 4.960 7.205 ( 3.071 0.636 -1.217) 3.364 7.289 ( 1.717 0.895 4.414) 4.820 7.421 ( -0.632 -2.162 0.580) 2.326 8.600 ( -1.040 -0.056 -0.523) 1.166 8.637 ( 2.001 0.509 -2.693) 3.393 8.970 ( 0.587 2.757 2.376) 3.687 9.012 ( -0.552 0.236 -0.092) 0.608 9.074 ( -0.721 -4.114 1.794) 4.546 9.235 ( 0.091 -2.093 -2.132) 2.989 9.399 ( -1.151 -6.880 1.566) 7.149 9.564 ( 2.812 -6.457 -2.483) 7.467 9.881 ( -3.205 7.204 4.003) 8.842 10.082 ( 1.214 9.711 -1.636) 9.922 10.311 ( 0.765 -0.772 4.518) 4.647 10.646 ( 1.085 2.352 -3.633) 4.462 10.961 ( -1.604 -2.674 1.395) 3.416 11.065 ( 0.774 -4.862 -0.989) 5.022 11.475 ( 0.382 -1.815 -0.052) 1.856 11.541 ( -1.871 0.150 -2.280) 2.953 13.093 ( 0.581 -3.650 0.384) 3.716 13.140 ( -0.913 -4.113 -0.804) 4.290 13.216 ( 0.469 2.334 0.713) 2.485 13.279 ( -0.610 3.613 -0.982) 3.794 13.609 ( -1.442 -4.466 0.211) 4.698 13.613 ( 1.216 -2.253 0.277) 2.575 13.847 ( 2.410 6.674 0.972) 7.162 13.928 ( -2.994 3.918 -1.041) 5.040 14.151 ( 4.317 3.876 1.697) 6.045 14.315 ( -4.195 5.041 -2.436) 6.997 14.703 ( 2.031 8.785 3.427) 9.646 15.027 ( -1.315 0.696 -3.772) 4.055 15.386 ( 0.031 9.170 1.688) 9.324 15.502 ( 0.363 -1.197 1.065) 1.643 15.633 ( 1.269 3.486 -1.462) 3.988 15.835 ( -3.693 9.476 -10.773) 14.816 16.546 ( 4.590 0.119 0.624) 4.634 16.585 ( -2.020 2.213 -1.827) 3.509 16.653 ( 2.220 1.489 0.596) 2.739 16.685 ( -0.858 -0.083 0.429) 0.963 19.293 ( -2.786 -6.799 0.376) 7.358 19.387 ( 2.714 -5.009 -2.730) 6.317 20.099 ( -1.216 3.927 2.994) 5.086 20.477 ( 1.442 6.626 -8.955) 11.232 21.066 ( -3.591 -3.882 7.247) 8.971 21.519 ( 1.865 -2.379 -5.869) 6.602 22.981 ( -5.767 -2.906 6.135) 8.908 23.364 ( 2.634 -2.877 -3.699) 5.376 26.695 ( -0.591 0.035 0.160) 0.613 26.702 ( 0.706 0.228 -0.043) 0.743 29.398 ( -8.668 5.406 2.793) 10.590 29.404 ( 6.510 7.459 4.290) 10.789 29.542 ( 2.739 0.466 -1.283) 3.060 30.736 ( -4.986 13.327 -35.409) 38.161 30.794 ( -1.499 2.105 0.235) 2.595 30.858 ( 0.174 0.948 -1.685) 1.942 31.157 ( -5.806 3.554 1.731) 7.023 31.498 ( 2.263 14.071 -10.980) 17.991 32.129 ( -1.385 -0.106 0.594) 1.510 32.189 ( 0.193 2.413 -1.514) 2.856 32.406 ( 4.964 -0.537 3.455) 6.072 32.702 ( 1.275 1.798 -10.086) 10.325 33.517 ( -1.136 0.293 6.186) 6.296 33.993 ( 0.718 -3.359 -4.805) 5.907 35.566 ( 0.271 0.074 2.712) 2.726 35.809 ( 1.055 1.552 -0.228) 1.891 35.915 ( 9.025 -1.638 8.557) 12.544 36.154 ( -1.947 -0.067 4.694) 5.082 36.437 ( -0.707 6.955 -6.982) 9.881 36.610 ( 1.733 -1.296 -3.786) 4.361 37.556 ( -7.205 -14.100 35.892) 39.229 38.690 ( 2.417 -17.408 -5.481) 18.410 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 8.120 7.396 3.172) 11.433 0.974 ( 10.524 10.736 11.705) 19.053 1.064 ( -0.366 5.036 -1.043) 5.156 1.421 ( 16.906 7.423 6.539) 19.588 1.740 ( -1.671 9.849 1.818) 10.153 2.005 ( 2.211 8.182 3.221) 9.067 2.061 ( 5.262 16.295 -9.996) 19.828 2.256 ( 2.048 6.766 3.822) 8.036 2.437 ( 5.438 0.263 3.060) 6.245 2.470 ( 4.949 -1.093 1.420) 5.263 2.550 ( -4.112 -7.520 -0.590) 8.591 2.824 ( 6.845 11.077 -9.988) 16.411 2.968 ( 3.980 0.368 -1.069) 4.137 3.206 ( -3.734 -1.346 -2.079) 4.481 3.348 ( -1.077 0.575 -4.835) 4.986 3.477 ( -2.093 -1.479 4.631) 5.292 3.515 ( 3.688 1.182 0.262) 3.881 3.880 ( -2.114 -5.736 -3.021) 6.819 3.937 ( -5.841 -4.327 7.235) 10.256 4.027 ( -2.901 -1.519 6.512) 7.289 4.139 ( -0.700 -2.084 -3.202) 3.884 4.484 ( -5.667 -5.461 1.291) 7.975 4.635 ( -1.957 -3.955 0.155) 4.416 4.674 ( 0.754 -1.351 1.643) 2.256 4.783 ( -8.040 -3.138 -0.692) 8.658 4.926 ( 0.024 -1.228 -6.081) 6.204 5.149 ( -4.662 4.825 2.223) 7.068 5.185 ( -6.222 -0.810 -0.114) 6.276 5.347 ( 0.925 3.645 0.028) 3.761 5.423 ( 2.414 -1.871 1.572) 3.435 5.520 ( -8.500 -8.193 0.517) 11.817 5.614 ( 4.400 -6.503 0.105) 7.853 6.247 ( -3.345 -3.336 1.006) 4.830 6.518 ( -0.777 -6.603 -3.312) 7.428 6.637 ( 4.442 -4.699 6.046) 8.853 6.749 ( -6.123 1.577 -6.195) 8.852 7.020 ( -7.870 3.931 0.108) 8.798 7.234 ( -2.885 1.382 0.877) 3.317 7.307 ( 2.167 -2.640 2.549) 4.262 7.475 ( 4.095 -3.600 -0.269) 5.459 8.601 ( 1.673 -0.896 -1.609) 2.488 8.666 ( 3.139 0.896 -0.981) 3.409 8.971 ( 0.857 -4.430 0.923) 4.605 9.119 ( 3.542 -2.661 1.006) 4.543 9.159 ( 12.199 1.849 0.991) 12.378 9.238 ( -0.173 -1.120 -2.454) 2.703 9.449 ( 1.050 -5.443 -0.118) 5.545 9.675 ( 3.486 -5.645 -0.557) 6.658 9.761 ( -6.205 5.347 2.696) 8.624 10.021 ( 2.739 7.659 -0.798) 8.174 10.319 ( -4.937 0.057 3.850) 6.261 10.538 ( -6.761 5.003 -3.618) 9.156 11.020 ( 5.438 -2.250 0.757) 5.934 11.146 ( 3.731 -3.930 -0.632) 5.456 11.526 ( 3.738 -0.833 0.193) 3.835 11.544 ( 3.780 -0.492 -1.171) 3.987 13.087 ( -6.399 -4.480 -0.087) 7.812 13.119 ( -4.569 -1.963 -1.120) 5.097 13.190 ( 0.163 2.663 0.659) 2.749 13.270 ( 3.191 0.542 -0.098) 3.238 13.580 ( -5.725 -4.737 0.036) 7.431 13.635 ( -0.034 -0.933 0.330) 0.990 13.763 ( -0.009 2.950 0.450) 2.984 13.964 ( -0.207 -0.021 0.072) 0.220 14.172 ( 8.098 6.967 -1.387) 10.772 14.273 ( 2.987 4.647 0.205) 5.528 14.601 ( -4.815 11.811 3.558) 13.242 14.915 ( -2.245 8.343 -6.061) 10.554 15.339 ( 2.770 6.772 1.335) 7.438 15.518 ( -4.250 15.259 -8.785) 18.113 15.558 ( 2.211 -0.687 0.473) 2.364 15.647 ( 3.819 1.740 -0.300) 4.207 16.529 ( -0.518 2.361 -1.452) 2.820 16.644 ( 2.348 -1.001 -0.261) 2.565 16.681 ( 1.198 0.027 0.780) 1.430 16.703 ( 7.092 0.766 -2.821) 7.671 19.288 ( -5.303 -6.059 -1.083) 8.125 19.450 ( -0.141 -4.583 -0.862) 4.665 20.049 ( -1.980 3.801 2.207) 4.821 20.368 ( 1.268 7.626 -6.699) 10.229 21.089 ( -3.975 -3.320 7.558) 9.162 21.534 ( 1.421 -2.268 -4.577) 5.302 22.994 ( -1.156 -3.240 4.775) 5.885 23.405 ( 2.384 -1.002 -3.041) 3.992 26.671 ( -1.491 -0.343 0.057) 1.531 26.723 ( 1.283 0.617 0.023) 1.424 29.217 ( -6.051 8.961 1.314) 10.892 29.470 ( -6.875 8.977 -1.606) 11.421 29.525 ( 12.170 4.714 4.932) 13.951 30.344 ( 19.670 19.003 -35.268) 44.630 30.750 ( -3.793 1.462 0.960) 4.177 30.845 ( -0.115 1.443 -0.754) 1.632 31.075 ( -4.939 0.995 1.570) 5.277 31.311 ( -3.698 11.035 -3.522) 12.160 32.135 ( 0.890 -0.773 0.042) 1.179 32.176 ( 1.639 2.122 -0.515) 2.730 32.508 ( 4.250 -0.379 0.475) 4.293 32.690 ( 7.994 2.579 -9.426) 12.625 33.534 ( -1.699 0.548 7.252) 7.468 33.997 ( 0.044 -2.776 -5.815) 6.443 35.596 ( 0.988 -0.241 3.698) 3.836 35.780 ( -0.249 1.828 -3.261) 3.746 36.098 ( 2.891 0.170 3.737) 4.727 36.165 ( 0.638 -0.610 3.679) 3.784 36.326 ( 2.938 5.576 -8.209) 10.349 36.627 ( 2.141 -0.572 -4.171) 4.723 37.824 ( -17.607 -26.184 38.115) 49.481 38.807 ( -4.007 -14.491 -4.955) 15.830 ======================= Grid point 96 (43/93) ======================= q-point: (-0.62 0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.180 -0.000 -0.852) 1.455 1.113 ( -0.905 0.000 0.554) 1.061 1.649 ( 8.202 -0.000 0.821) 8.243 1.794 ( 3.696 -0.000 2.472) 4.446 2.011 ( -7.682 0.000 0.991) 7.746 2.165 ( 7.813 -0.000 5.529) 9.571 2.383 ( -0.449 0.000 -2.515) 2.555 2.394 ( -2.145 0.000 -4.062) 4.593 2.470 ( -0.800 0.000 2.494) 2.619 2.496 ( -5.779 0.000 -3.104) 6.559 2.796 ( -13.738 0.000 14.974) 20.321 2.858 ( 9.776 -0.000 -8.147) 12.726 3.115 ( 3.494 -0.000 -8.986) 9.641 3.157 ( 9.767 -0.000 6.356) 11.653 3.358 ( -12.462 0.000 -5.048) 13.446 3.455 ( 5.181 -0.000 -4.707) 7.000 3.500 ( 0.868 -0.000 -3.400) 3.509 3.733 ( -0.229 0.000 -0.165) 0.282 3.749 ( -4.494 0.000 3.543) 5.723 3.877 ( -1.027 0.000 -7.739) 7.807 4.011 ( 6.356 -0.000 4.914) 8.034 4.236 ( -7.153 0.000 5.173) 8.827 4.429 ( -3.285 0.000 1.766) 3.730 4.641 ( 2.360 -0.000 -0.327) 2.382 4.842 ( 5.962 -0.000 12.487) 13.837 4.969 ( 5.507 -0.000 2.125) 5.903 4.983 ( 6.267 -0.000 -1.194) 6.379 5.163 ( 3.514 -0.000 0.784) 3.601 5.184 ( -2.882 0.000 -6.100) 6.746 5.326 ( -3.636 0.000 -2.411) 4.363 5.570 ( -0.864 0.000 1.099) 1.398 5.583 ( 3.960 -0.000 -3.610) 5.358 6.145 ( -2.985 0.000 2.465) 3.871 6.245 ( 0.798 -0.000 -3.882) 3.963 6.377 ( 5.423 -0.000 -0.109) 5.424 6.906 ( 8.628 -0.000 1.626) 8.780 7.168 ( -1.851 0.000 4.183) 4.574 7.169 ( -1.057 0.000 -5.252) 5.357 7.260 ( -1.364 0.000 -0.787) 1.574 7.388 ( -2.866 0.000 0.480) 2.906 8.663 ( -2.219 0.000 -2.976) 3.712 8.788 ( -0.259 0.000 -1.236) 1.263 8.938 ( -0.616 0.000 4.723) 4.763 9.017 ( 1.115 -0.000 -9.191) 9.258 9.144 ( -12.643 0.000 7.038) 14.470 9.232 ( -2.364 0.000 -0.854) 2.513 9.399 ( -6.195 0.000 0.851) 6.253 9.450 ( -4.888 0.000 -0.534) 4.918 10.038 ( 5.789 -0.000 1.666) 6.024 10.095 ( 8.483 -0.000 0.569) 8.502 10.405 ( 1.590 -0.000 2.903) 3.310 10.473 ( 4.452 -0.000 -3.788) 5.845 11.069 ( -9.261 0.000 0.354) 9.267 11.141 ( -8.538 0.000 -0.793) 8.575 11.530 ( -5.255 0.000 -2.112) 5.663 11.711 ( -6.424 0.000 2.071) 6.749 12.805 ( 8.911 -0.000 -1.735) 9.078 12.868 ( 7.678 -0.000 1.435) 7.811 13.187 ( 1.791 -0.000 -1.139) 2.122 13.336 ( 2.307 -0.000 0.857) 2.462 13.527 ( -0.961 0.000 1.013) 1.396 13.555 ( -0.086 0.000 -1.038) 1.041 13.892 ( 2.425 -0.000 0.645) 2.510 13.952 ( 0.605 -0.000 -0.519) 0.797 14.404 ( 4.719 -0.000 1.671) 5.006 14.406 ( 0.220 -0.000 -1.791) 1.804 14.870 ( -2.615 0.000 1.446) 2.988 15.007 ( 2.108 -0.000 -0.193) 2.117 15.540 ( -3.717 0.000 2.178) 4.308 15.571 ( 1.465 -0.000 -2.122) 2.578 15.721 ( 1.761 -0.000 2.145) 2.775 15.842 ( 6.779 -0.000 -2.896) 7.372 16.609 ( -1.754 0.000 -1.142) 2.093 16.620 ( 0.795 -0.000 0.947) 1.237 16.665 ( 1.067 -0.000 1.002) 1.464 16.731 ( -3.945 0.000 -1.819) 4.344 19.164 ( -0.865 0.000 3.125) 3.242 19.231 ( 1.911 -0.000 -4.378) 4.777 20.161 ( 1.127 -0.000 2.134) 2.413 20.538 ( 5.843 -0.000 -2.913) 6.529 21.036 ( -4.210 0.000 5.307) 6.774 21.491 ( 0.352 -0.000 -4.486) 4.500 23.076 ( -8.010 0.000 8.920) 11.989 23.263 ( 1.570 -0.000 -6.194) 6.390 26.690 ( 0.765 -0.000 -0.527) 0.930 26.706 ( -0.483 0.000 0.523) 0.712 29.457 ( 6.303 -0.000 1.232) 6.422 29.608 ( -10.485 0.000 3.409) 11.025 29.759 ( -11.650 0.000 -1.841) 11.794 30.507 ( 22.725 -0.000 -2.375) 22.849 30.866 ( -0.010 0.000 -0.494) 0.494 30.869 ( 0.709 -0.000 -0.107) 0.717 31.462 ( -3.123 0.000 9.904) 10.385 31.566 ( 16.196 -0.000 -9.006) 18.531 32.159 ( -0.412 0.000 3.967) 3.988 32.257 ( -0.249 0.000 -0.972) 1.003 32.558 ( -7.547 0.000 -9.169) 11.876 32.705 ( 1.336 -0.000 4.286) 4.489 33.538 ( -3.381 0.000 2.862) 4.430 33.902 ( 1.974 -0.000 -3.257) 3.809 35.510 ( 1.327 -0.000 0.028) 1.327 35.734 ( -2.595 0.000 -3.990) 4.760 35.855 ( 2.268 -0.000 -1.881) 2.947 36.196 ( -4.123 0.000 6.134) 7.391 36.592 ( 0.455 -0.000 -4.250) 4.274 36.605 ( 0.152 -0.000 -0.358) 0.389 37.602 ( -5.890 0.000 16.043) 17.090 38.120 ( 3.396 -0.000 -11.001) 11.513 ======================= Grid point 98 (44/93) ======================= q-point: (-0.50 0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.162 1.279 0.102) 1.294 1.100 ( 0.059 0.258 -0.148) 0.303 1.723 ( 1.055 7.141 -2.856) 7.763 1.813 ( 2.242 -2.107 -3.149) 4.402 1.962 ( 1.832 4.022 3.025) 5.355 2.096 ( -4.933 15.644 -2.007) 16.525 2.340 ( -2.448 -2.444 -3.049) 4.612 2.427 ( -1.205 6.158 4.301) 7.607 2.466 ( 6.222 -2.487 3.494) 7.557 2.534 ( 0.168 -6.716 1.754) 6.944 2.675 ( -5.327 3.213 7.945) 10.090 2.892 ( -3.993 -1.130 -3.754) 5.596 3.061 ( 0.480 10.501 -6.139) 12.174 3.129 ( 4.102 11.590 -4.490) 13.088 3.308 ( 2.580 -6.088 -1.727) 6.834 3.512 ( 0.495 -2.040 0.118) 2.102 3.647 ( 9.536 -10.678 -0.972) 14.349 3.713 ( -2.203 1.651 1.659) 3.214 3.752 ( -1.711 -3.169 1.149) 3.780 3.896 ( 1.956 -8.747 -0.191) 8.965 4.045 ( -3.280 7.931 3.791) 9.382 4.214 ( -0.292 -7.196 5.153) 8.856 4.398 ( -3.541 -1.162 4.586) 5.910 4.651 ( 0.090 0.039 -2.995) 2.997 4.926 ( -3.045 0.137 2.362) 3.856 4.957 ( -4.929 0.436 -9.893) 11.061 5.066 ( 5.304 -0.052 0.808) 5.365 5.112 ( 1.442 -0.988 0.287) 1.771 5.245 ( 2.346 -3.393 4.936) 6.433 5.359 ( 5.047 -1.785 1.327) 5.515 5.529 ( 0.656 5.835 -1.115) 5.976 5.599 ( -2.350 -0.279 -0.360) 2.394 6.150 ( 1.547 -3.095 0.456) 3.490 6.249 ( 0.588 -1.554 -2.989) 3.420 6.458 ( 4.050 0.456 2.145) 4.606 7.023 ( 4.660 0.755 -0.454) 4.743 7.103 ( -0.854 1.136 -5.515) 5.695 7.117 ( -6.241 -3.123 2.233) 7.327 7.300 ( 5.273 2.398 -0.658) 5.830 7.376 ( 0.026 -0.835 1.436) 1.662 8.618 ( -0.967 0.297 -1.779) 2.047 8.730 ( -3.135 1.997 -3.071) 4.821 8.975 ( 0.171 -0.362 2.545) 2.577 8.992 ( -0.699 0.926 -0.338) 1.208 9.097 ( 1.358 -6.363 3.257) 7.276 9.185 ( -4.634 -0.564 -2.047) 5.097 9.261 ( -8.632 0.979 0.273) 8.692 9.426 ( -0.375 -3.079 -1.153) 3.309 10.096 ( 1.927 5.709 3.352) 6.895 10.200 ( 3.798 -0.736 2.968) 4.876 10.394 ( -0.321 6.757 -0.221) 6.768 10.547 ( 5.078 -4.877 -3.177) 7.724 10.945 ( -6.908 -1.738 0.432) 7.137 11.020 ( -5.443 -0.668 -1.242) 5.622 11.455 ( -2.845 -0.843 -1.321) 3.248 11.613 ( -6.108 -0.075 0.112) 6.109 12.943 ( 7.479 -1.164 -0.892) 7.621 13.007 ( 5.651 -2.133 0.728) 6.084 13.227 ( 3.809 0.644 -0.314) 3.875 13.375 ( 2.198 1.100 -0.151) 2.462 13.506 ( 0.025 0.889 0.698) 1.131 13.559 ( -0.956 -2.193 -0.416) 2.428 13.928 ( 2.626 3.297 -0.378) 4.231 13.973 ( 3.549 -0.753 0.673) 3.690 14.325 ( -7.067 1.941 -1.544) 7.489 14.475 ( 1.006 1.450 2.076) 2.725 14.805 ( -2.298 1.950 0.521) 3.059 15.032 ( 1.300 0.285 -0.179) 1.343 15.490 ( -3.506 -0.214 1.558) 3.842 15.581 ( 1.488 1.662 -1.626) 2.761 15.733 ( -0.017 3.034 2.402) 3.870 15.936 ( 6.709 0.796 -2.746) 7.293 16.571 ( -1.036 1.386 -0.865) 1.935 16.650 ( 0.352 -0.977 0.905) 1.378 16.660 ( -2.730 -0.116 -1.000) 2.909 16.686 ( 1.230 0.866 0.290) 1.532 19.169 ( -1.531 -1.998 1.937) 3.176 19.255 ( 3.023 -1.832 -4.186) 5.479 20.180 ( 0.292 1.690 3.010) 3.464 20.592 ( 4.426 1.555 -4.748) 6.675 21.010 ( -3.628 -0.984 5.304) 6.502 21.477 ( 1.456 -0.696 -5.740) 5.962 22.994 ( -9.003 -1.148 7.776) 11.951 23.269 ( 2.565 -1.552 -5.032) 5.857 26.689 ( 0.785 1.064 0.065) 1.324 26.710 ( -0.529 -0.931 0.043) 1.071 29.463 ( -3.122 3.569 2.438) 5.332 29.563 ( -1.038 -1.120 2.145) 2.633 29.604 ( -4.563 1.333 1.292) 4.926 30.784 ( 12.595 0.691 -4.823) 13.505 30.863 ( -0.138 0.091 -0.242) 0.293 30.886 ( 3.642 -1.222 -5.315) 6.558 31.397 ( -8.965 2.104 4.201) 10.121 31.728 ( 13.640 3.601 -11.856) 18.428 32.188 ( -0.592 0.518 5.074) 5.135 32.242 ( 0.169 0.988 -1.288) 1.632 32.384 ( -6.320 0.542 -3.727) 7.357 32.729 ( -1.783 -1.808 -0.369) 2.566 33.512 ( -1.979 -0.058 3.440) 3.969 33.918 ( 1.504 -1.506 -3.407) 4.017 35.544 ( 1.563 0.065 1.786) 2.374 35.722 ( 1.549 0.104 5.883) 6.085 35.871 ( 1.800 0.454 -2.864) 3.413 36.169 ( -3.416 0.254 5.324) 6.331 36.576 ( 0.821 -0.099 -3.317) 3.418 36.587 ( -1.579 0.471 -1.107) 1.985 37.558 ( -5.757 7.059 12.246) 15.262 38.191 ( 5.277 -10.795 -7.899) 14.379 ======================= Grid point 99 (45/93) ======================= q-point: (-0.38 0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.517 3.585 1.194) 3.814 1.099 ( 0.573 1.755 -0.096) 1.849 1.584 ( 0.667 17.494 -3.366) 17.828 1.694 ( -5.181 18.571 0.809) 19.298 1.959 ( 5.501 2.692 -8.966) 10.858 2.042 ( 1.594 -3.923 3.392) 5.426 2.298 ( -2.628 -1.848 -2.885) 4.318 2.345 ( -1.289 7.493 4.480) 8.825 2.465 ( -1.383 8.747 4.237) 9.817 2.585 ( -1.031 2.604 4.934) 5.673 2.682 ( 1.183 -2.470 -1.096) 2.949 2.811 ( -2.605 4.852 -2.702) 6.134 3.024 ( 4.527 -6.712 -2.998) 8.633 3.117 ( 8.997 15.038 0.685) 17.537 3.340 ( -1.384 -3.788 -4.277) 5.879 3.584 ( 3.532 -3.655 -0.462) 5.104 3.620 ( -5.006 5.826 2.837) 8.188 3.732 ( -1.927 0.826 1.832) 2.784 3.848 ( 1.365 -10.491 -2.783) 10.940 3.907 ( -6.294 0.636 4.800) 7.941 4.047 ( -1.301 -5.773 5.776) 8.269 4.354 ( 0.452 -10.448 6.021) 12.067 4.405 ( -1.259 -3.673 4.024) 5.592 4.611 ( -0.889 -1.377 -5.671) 5.903 4.808 ( -3.454 -0.144 -7.331) 8.105 4.890 ( -1.793 -4.339 -7.139) 8.545 5.163 ( 2.623 -1.707 2.704) 4.136 5.166 ( 4.588 1.127 2.686) 5.434 5.334 ( -1.539 -4.898 4.380) 6.749 5.448 ( 0.461 1.744 2.702) 3.249 5.475 ( 0.385 2.887 -2.439) 3.799 5.539 ( 0.106 2.547 -0.194) 2.556 6.215 ( -2.873 -5.288 -1.555) 6.216 6.276 ( 4.989 -3.212 -0.860) 5.995 6.524 ( 2.510 0.665 4.697) 5.367 6.965 ( -3.291 2.962 -6.625) 7.968 7.051 ( -4.515 -2.806 -0.509) 5.340 7.165 ( 6.098 -2.432 -2.643) 7.077 7.336 ( 0.996 2.501 2.965) 4.005 7.398 ( -0.420 -0.631 1.225) 1.440 8.605 ( 0.120 0.529 -0.789) 0.958 8.659 ( 0.471 1.498 -3.539) 3.872 8.986 ( -1.397 -3.535 2.475) 4.536 9.018 ( -9.455 1.354 0.416) 9.561 9.048 ( 7.770 3.452 1.112) 8.575 9.170 ( -0.930 -4.091 -1.480) 4.449 9.271 ( 2.669 -6.173 1.582) 6.909 9.459 ( 1.886 -3.644 -2.407) 4.757 10.038 ( -2.715 8.211 4.309) 9.662 10.273 ( 1.213 -1.190 3.545) 3.931 10.292 ( -1.243 9.023 -0.768) 9.140 10.639 ( 2.160 -3.626 -3.660) 5.586 10.904 ( -1.045 -2.618 0.824) 2.937 10.986 ( 0.377 -2.586 -1.090) 2.832 11.450 ( 1.796 -0.785 0.082) 1.962 11.538 ( -2.360 -0.352 -2.237) 3.271 13.031 ( 1.546 -2.399 0.359) 2.877 13.065 ( -1.595 -3.032 -0.437) 3.454 13.264 ( 1.381 2.259 0.712) 2.742 13.349 ( -1.302 3.358 -1.339) 3.843 13.534 ( -1.485 -3.158 0.389) 3.511 13.568 ( 1.315 -2.168 -0.112) 2.538 13.944 ( 2.501 3.125 0.607) 4.048 13.988 ( -3.888 2.105 -0.643) 4.468 14.242 ( 5.272 4.540 2.082) 7.262 14.402 ( -4.756 3.494 -2.064) 6.252 14.806 ( 2.135 2.571 2.866) 4.403 15.025 ( -1.805 -0.318 -2.148) 2.824 15.467 ( -0.723 -0.697 1.320) 1.658 15.558 ( 0.586 5.136 -0.086) 5.170 15.704 ( -0.233 3.885 1.386) 4.132 15.961 ( 0.358 3.914 -4.269) 5.803 16.558 ( 2.069 1.149 0.401) 2.401 16.609 ( -1.581 -0.001 -1.806) 2.401 16.684 ( -0.136 0.544 0.557) 0.791 16.686 ( 1.750 1.154 0.852) 2.263 19.177 ( -2.694 -4.540 0.439) 5.298 19.304 ( 2.839 -3.165 -3.203) 5.323 20.174 ( -0.744 3.185 3.562) 4.836 20.577 ( 1.298 3.620 -6.683) 7.710 21.010 ( -2.554 -1.974 5.669) 6.523 21.478 ( 1.864 -1.645 -6.424) 6.889 22.929 ( -6.053 -2.133 6.053) 8.822 23.310 ( 3.534 -2.312 -3.533) 5.506 26.696 ( -0.469 0.056 0.212) 0.518 26.706 ( 0.557 0.148 -0.037) 0.577 29.417 ( -1.744 0.659 1.292) 2.268 29.540 ( 1.431 0.512 -1.221) 1.949 29.599 ( 0.720 6.446 8.793) 10.926 30.827 ( -2.713 1.145 -1.248) 3.198 30.854 ( 1.702 1.630 -5.668) 6.139 30.883 ( 1.423 1.691 -15.950) 16.102 31.226 ( -9.276 3.114 3.134) 10.274 31.736 ( 4.087 8.853 -13.382) 16.557 32.137 ( -4.119 1.067 2.028) 4.714 32.230 ( 0.612 1.614 -1.250) 2.132 32.403 ( 6.615 0.206 4.161) 7.817 32.691 ( -1.725 -2.271 -5.891) 6.545 33.522 ( -0.318 0.254 5.258) 5.274 33.932 ( 0.691 -2.572 -4.157) 4.937 35.569 ( 0.287 0.216 2.939) 2.961 35.839 ( 3.077 1.406 4.551) 5.671 35.890 ( 5.220 -0.988 5.263) 7.478 36.153 ( -2.425 -0.050 4.857) 5.429 36.531 ( -1.514 2.729 -3.978) 5.056 36.584 ( 1.741 -1.243 -3.378) 3.998 37.477 ( -7.659 2.974 15.615) 17.644 38.355 ( 3.806 -15.335 -6.437) 17.061 ======================= Grid point 100 (46/93) ======================= q-point: (-0.25 0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.392 5.372 1.211) 5.521 1.084 ( 0.927 2.944 0.065) 3.087 1.371 ( 5.034 21.276 -3.141) 22.088 1.570 ( 3.852 8.286 2.321) 9.427 1.916 ( -0.358 7.955 -1.491) 8.102 2.096 ( 2.187 1.525 -0.214) 2.675 2.300 ( 2.049 0.540 -1.433) 2.558 2.326 ( -1.668 -1.168 2.956) 3.590 2.378 ( -2.771 1.103 -1.369) 3.282 2.531 ( 2.658 11.610 -2.387) 12.147 2.645 ( 2.551 6.875 5.327) 9.064 2.873 ( 5.333 -6.615 0.088) 8.497 3.062 ( 4.875 10.723 -1.509) 11.875 3.154 ( 3.926 1.206 -1.088) 4.249 3.318 ( -5.308 -3.872 -2.321) 6.968 3.491 ( -3.183 5.893 3.832) 7.716 3.624 ( 1.829 5.298 0.252) 5.611 3.751 ( -1.959 -8.000 -1.459) 8.364 3.857 ( -6.149 -2.605 6.240) 9.140 3.927 ( 1.185 -9.786 -3.173) 10.356 4.060 ( -3.021 -2.637 4.298) 5.879 4.409 ( -3.434 -3.167 -0.491) 4.697 4.481 ( -1.838 -10.101 3.050) 10.710 4.642 ( 0.689 -3.031 2.780) 4.170 4.718 ( -6.087 -2.952 -4.989) 8.406 4.880 ( 1.509 -3.099 -7.427) 8.188 5.169 ( -4.631 -0.547 2.790) 5.434 5.253 ( 0.009 4.730 1.931) 5.109 5.342 ( -0.508 -5.193 1.567) 5.448 5.394 ( -5.079 -1.755 0.545) 5.401 5.429 ( 0.814 3.838 -1.294) 4.131 5.596 ( 5.615 1.370 0.140) 5.782 6.181 ( -3.992 -3.101 -0.516) 5.081 6.390 ( 2.002 -6.296 -1.579) 6.792 6.591 ( 1.395 -0.841 6.907) 7.097 6.812 ( -5.408 4.015 -7.738) 10.259 7.034 ( -1.446 -2.067 -1.114) 2.757 7.246 ( 0.776 -0.220 -0.740) 1.095 7.304 ( -2.537 2.015 2.490) 4.087 7.407 ( 1.254 -2.849 0.696) 3.189 8.594 ( 1.543 0.546 -2.037) 2.613 8.686 ( 4.885 0.706 -1.942) 5.305 8.900 ( -4.372 -2.708 0.117) 5.144 9.042 ( 1.474 -4.167 2.286) 4.976 9.201 ( 12.416 2.341 0.758) 12.657 9.207 ( 1.527 -2.634 -1.884) 3.580 9.348 ( 1.775 -4.195 0.674) 4.605 9.537 ( 1.848 -6.653 -0.377) 6.915 9.920 ( -3.940 8.988 2.436) 10.112 10.185 ( -0.940 8.246 -0.213) 8.302 10.298 ( -2.848 -1.559 3.463) 4.747 10.611 ( -4.349 1.472 -3.134) 5.559 10.973 ( 5.885 -2.291 0.380) 6.326 11.059 ( 4.551 -4.064 -0.563) 6.127 11.513 ( 3.880 -0.391 -0.303) 3.911 11.538 ( 4.521 -0.473 -1.459) 4.774 13.004 ( -8.357 -3.718 -0.432) 9.157 13.056 ( -3.793 -3.844 -0.053) 5.400 13.238 ( -0.430 2.218 1.065) 2.498 13.299 ( -0.226 2.091 -1.231) 2.437 13.506 ( -4.474 -2.471 0.164) 5.113 13.615 ( 0.590 -1.632 0.333) 1.767 13.841 ( -3.313 4.344 -0.090) 5.464 13.978 ( -1.000 0.944 0.332) 1.415 14.299 ( 3.322 5.424 -1.950) 6.652 14.361 ( 6.521 4.435 1.770) 8.083 14.783 ( -4.046 6.540 3.093) 8.289 14.974 ( -0.773 0.264 -2.615) 2.740 15.478 ( 1.003 3.726 0.985) 3.982 15.522 ( 1.089 1.633 0.763) 2.106 15.686 ( 1.198 2.132 -0.084) 2.447 15.807 ( -5.060 11.269 -4.834) 13.265 16.573 ( -0.118 1.577 -1.697) 2.319 16.620 ( 3.405 -0.986 0.591) 3.594 16.678 ( 0.135 -0.131 0.528) 0.560 16.720 ( 3.508 0.700 -0.422) 3.602 19.172 ( -3.631 -5.209 -1.063) 6.438 19.359 ( 1.099 -4.207 -1.591) 4.630 20.135 ( -2.022 4.586 3.294) 5.998 20.492 ( -0.582 4.920 -6.819) 8.428 21.034 ( -1.827 -2.237 6.125) 6.772 21.488 ( 1.848 -2.212 -5.756) 6.438 22.929 ( -1.214 -3.115 4.057) 5.257 23.374 ( 3.752 -1.931 -2.027) 4.681 26.673 ( -1.502 0.497 0.103) 1.586 26.727 ( 1.315 -0.209 0.046) 1.333 29.365 ( -3.842 5.699 1.857) 7.120 29.574 ( 2.864 2.954 -0.946) 4.222 29.633 ( 6.541 5.479 9.110) 12.482 30.559 ( -6.579 4.488 -24.512) 25.774 30.810 ( -0.346 3.592 -2.240) 4.247 30.865 ( 0.471 0.551 -0.618) 0.953 31.112 ( -5.202 2.710 1.279) 6.003 31.561 ( -2.926 12.690 -6.603) 14.601 32.117 ( -0.079 -0.868 0.757) 1.155 32.221 ( 1.266 2.200 -0.351) 2.563 32.516 ( 4.046 1.217 1.066) 4.358 32.704 ( 7.277 -1.361 -6.512) 9.860 33.546 ( -0.913 0.658 6.067) 6.170 33.938 ( 0.261 -2.927 -4.977) 5.780 35.596 ( 0.633 0.193 4.204) 4.256 35.821 ( 0.031 2.208 -3.673) 4.286 36.085 ( 5.753 -1.302 10.276) 11.849 36.153 ( -1.285 -0.596 4.535) 4.751 36.437 ( 0.329 5.013 -9.481) 10.730 36.609 ( 2.300 -1.289 -3.520) 4.398 37.483 ( -10.873 -8.951 24.037) 27.859 38.503 ( 0.215 -15.211 -5.947) 16.334 ======================= Grid point 101 (47/93) ======================= q-point: (-0.12 0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 2.606 1.274 -2.067) 3.562 1.067 ( -0.224 2.048 -0.132) 2.064 1.353 ( 12.692 11.977 1.033) 17.482 1.579 ( -0.424 0.866 -8.147) 8.204 1.921 ( 12.834 6.997 11.894) 18.844 2.120 ( 5.267 2.676 -2.027) 6.246 2.202 ( -5.354 3.810 -2.744) 7.122 2.304 ( -0.950 5.012 1.754) 5.394 2.437 ( 3.775 -7.154 -0.630) 8.113 2.506 ( 3.706 5.673 2.143) 7.107 2.714 ( 7.850 2.534 -2.879) 8.737 2.978 ( 2.249 0.941 -0.059) 2.438 3.027 ( 7.486 13.782 0.731) 15.700 3.143 ( -6.613 -2.254 -6.120) 9.288 3.203 ( -5.021 -1.693 3.343) 6.265 3.502 ( 0.502 -2.120 7.352) 7.668 3.590 ( -1.683 1.920 1.751) 3.096 3.741 ( -5.649 -6.559 -2.436) 8.992 3.849 ( -0.665 -3.339 -1.191) 3.606 4.050 ( 3.077 -7.602 -1.590) 8.354 4.108 ( 3.539 0.918 4.403) 5.723 4.366 ( -2.077 -1.793 -2.648) 3.813 4.553 ( -0.699 -5.676 2.416) 6.208 4.617 ( -5.971 -3.368 1.666) 7.055 4.676 ( -2.835 -1.738 0.766) 3.412 4.872 ( -2.559 -2.334 -4.311) 5.530 5.024 ( -13.036 1.929 -0.025) 13.178 5.160 ( -3.114 5.943 3.505) 7.570 5.298 ( -7.910 -3.473 -3.720) 9.406 5.403 ( 0.514 3.257 2.406) 4.082 5.444 ( 1.773 -2.647 -1.577) 3.555 5.666 ( 4.728 0.580 -0.899) 4.847 6.167 ( -2.169 -4.266 0.553) 4.818 6.397 ( -5.433 -3.001 -3.168) 6.969 6.618 ( -5.963 1.143 0.140) 6.073 6.682 ( -1.712 -0.086 1.353) 2.183 6.959 ( -3.933 4.006 -0.614) 5.647 7.206 ( -0.960 0.487 -0.629) 1.246 7.321 ( 0.808 -3.211 1.864) 3.800 7.521 ( 6.178 -4.194 0.506) 7.484 8.619 ( 2.800 -0.153 -2.231) 3.584 8.742 ( 4.410 1.981 -1.014) 4.939 8.906 ( -1.722 -5.995 -0.186) 6.240 9.171 ( 6.949 -5.964 0.665) 9.181 9.198 ( -0.067 -0.038 -2.410) 2.411 9.381 ( 11.331 0.939 0.003) 11.370 9.468 ( 6.442 -3.064 -0.651) 7.163 9.626 ( -0.394 -8.464 3.421) 9.138 9.770 ( -4.562 9.389 0.665) 10.460 10.093 ( -3.473 3.973 -0.323) 5.287 10.247 ( -6.381 1.993 2.191) 7.035 10.461 ( -5.118 6.071 -3.214) 8.566 11.118 ( 8.186 -2.046 0.713) 8.468 11.175 ( 5.186 -3.199 -0.228) 6.097 11.577 ( 3.990 -0.925 -0.475) 4.123 11.639 ( 6.790 0.308 0.840) 6.849 12.873 ( -12.608 -5.091 -0.454) 13.605 13.026 ( -3.079 -3.543 -0.489) 4.719 13.242 ( 1.578 2.686 0.929) 3.251 13.314 ( 3.320 -2.689 -0.606) 4.316 13.456 ( -4.571 -1.840 0.287) 4.936 13.650 ( 3.672 -2.955 0.155) 4.716 13.794 ( 0.087 2.446 -0.002) 2.447 13.930 ( -1.736 1.104 -0.610) 2.146 14.303 ( 1.457 3.530 -0.625) 3.870 14.356 ( -2.653 7.137 1.955) 7.861 14.575 ( -10.850 8.744 -0.117) 13.935 15.000 ( 6.677 3.646 -0.304) 7.613 15.457 ( 2.772 5.659 0.583) 6.329 15.558 ( 1.590 2.419 -1.841) 3.431 15.587 ( -1.120 6.754 -1.545) 7.018 15.716 ( 1.748 0.977 1.292) 2.383 16.555 ( 1.653 2.350 -0.928) 3.019 16.660 ( 1.411 0.270 -0.490) 1.518 16.694 ( -0.119 -1.323 1.005) 1.666 16.782 ( 4.744 -0.680 -2.643) 5.472 19.155 ( -3.231 -4.232 -1.440) 5.516 19.388 ( -1.625 -3.505 -0.644) 3.917 20.071 ( -1.998 4.346 2.177) 5.255 20.411 ( 0.710 4.141 -3.969) 5.780 21.065 ( -1.651 -1.658 6.377) 6.793 21.510 ( 2.075 -2.326 -4.333) 5.338 22.983 ( 0.436 -3.347 3.355) 4.759 23.428 ( 2.696 -0.068 -1.591) 3.131 26.648 ( -1.201 0.083 0.021) 1.204 26.746 ( 0.962 0.218 0.007) 0.987 29.209 ( -6.104 8.728 0.893) 10.688 29.519 ( 1.336 9.527 -1.337) 9.713 29.820 ( 12.580 1.740 9.907) 16.107 30.452 ( 5.534 -7.747 -14.390) 17.254 30.732 ( -0.050 6.463 -4.872) 8.094 30.856 ( 0.313 1.583 -1.056) 1.929 31.011 ( -4.816 1.474 0.476) 5.059 31.353 ( -4.102 13.239 -0.184) 13.861 32.140 ( 0.740 -1.207 0.523) 1.509 32.222 ( 1.446 2.012 0.047) 2.479 32.544 ( 1.600 -0.567 -1.696) 2.400 32.816 ( 10.737 2.507 -7.364) 13.259 33.555 ( -2.065 0.647 6.976) 7.304 33.936 ( 0.270 -2.367 -5.392) 5.894 35.636 ( 0.988 -0.096 3.814) 3.941 35.766 ( -0.911 2.026 -4.359) 4.892 36.138 ( -0.694 1.889 2.414) 3.143 36.181 ( -1.632 1.272 2.576) 3.304 36.384 ( 5.812 1.687 -8.510) 10.443 36.633 ( 2.417 -0.542 -4.014) 4.716 37.565 ( -15.466 -15.589 26.642) 34.526 38.567 ( -3.981 -11.109 -6.367) 13.408 ======================= Grid point 106 (48/93) ======================= q-point: ( 0.50 -0.50 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.313 0.000 0.121) 0.335 1.105 ( 0.592 0.000 -0.013) 0.592 1.778 ( -0.956 0.000 4.047) 4.158 1.856 ( 9.737 0.000 -9.211) 13.403 2.000 ( -2.616 0.000 -1.338) 2.938 2.076 ( 0.254 0.000 -3.429) 3.438 2.213 ( -9.958 0.000 -1.847) 10.128 2.414 ( -1.943 0.000 -4.691) 5.077 2.564 ( -7.309 0.000 8.082) 10.897 2.584 ( 4.516 0.000 0.326) 4.528 2.642 ( -7.060 0.000 12.884) 14.692 2.808 ( 7.468 0.000 5.613) 9.342 3.172 ( 0.995 -0.000 -7.407) 7.474 3.185 ( 5.881 0.000 -9.376) 11.067 3.362 ( 15.272 0.000 -7.790) 17.144 3.450 ( -4.924 -0.000 -6.323) 8.014 3.667 ( -5.756 0.000 4.782) 7.483 3.717 ( -3.643 0.000 1.541) 3.955 3.757 ( 1.700 0.000 10.261) 10.401 3.889 ( 3.603 0.000 3.284) 4.875 4.068 ( -6.107 0.000 5.093) 7.952 4.199 ( 0.713 0.000 5.622) 5.667 4.371 ( -3.077 0.000 5.173) 6.019 4.594 ( -1.391 0.000 -7.957) 8.078 4.807 ( -7.213 0.000 -7.181) 10.178 4.841 ( 0.831 0.000 -9.378) 9.415 5.145 ( 1.954 0.000 2.812) 3.424 5.185 ( 5.324 0.000 4.405) 6.910 5.275 ( -0.661 0.000 4.817) 4.862 5.431 ( 1.111 0.000 0.974) 1.478 5.554 ( -0.922 0.000 -0.824) 1.237 5.565 ( 0.403 0.000 0.485) 0.631 6.141 ( 0.135 0.000 -0.084) 0.159 6.256 ( 2.260 0.000 -2.318) 3.237 6.529 ( 1.916 0.000 5.024) 5.377 7.002 ( -4.344 0.000 0.591) 4.384 7.009 ( -3.853 0.000 -6.589) 7.633 7.145 ( 7.201 0.000 -3.568) 8.036 7.375 ( -1.505 0.000 2.949) 3.311 7.379 ( 1.624 0.000 0.545) 1.713 8.613 ( 1.455 0.000 -0.952) 1.738 8.677 ( -1.520 0.000 -4.080) 4.353 8.946 ( -1.053 0.000 3.221) 3.389 9.062 ( -12.107 0.000 -1.054) 12.153 9.064 ( 3.027 -0.000 -0.371) 3.050 9.146 ( 3.498 -0.000 -1.857) 3.961 9.175 ( 5.904 0.000 4.967) 7.715 9.425 ( 1.694 0.000 -2.535) 3.049 10.179 ( -0.520 0.000 4.038) 4.072 10.188 ( -3.843 -0.000 5.104) 6.389 10.464 ( 0.494 0.000 -2.394) 2.445 10.534 ( 2.457 -0.000 -2.859) 3.769 10.877 ( -0.218 0.000 0.528) 0.571 10.964 ( 0.313 0.000 -1.677) 1.706 11.443 ( 2.369 0.000 0.143) 2.373 11.533 ( -2.638 0.000 -2.127) 3.389 13.006 ( 1.636 0.000 0.352) 1.673 13.034 ( -1.622 0.000 -0.313) 1.652 13.289 ( 1.740 0.000 0.745) 1.892 13.390 ( -1.712 0.000 -1.639) 2.370 13.497 ( -1.040 0.000 0.573) 1.187 13.543 ( 0.935 0.000 -0.252) 0.968 13.974 ( 2.495 0.000 0.542) 2.554 14.009 ( -3.885 0.000 -0.523) 3.920 14.292 ( 5.520 0.000 2.018) 5.877 14.438 ( -5.049 0.000 -1.792) 5.358 14.828 ( 2.353 0.000 2.601) 3.507 15.022 ( -2.147 0.000 -1.889) 2.860 15.459 ( -1.107 0.000 1.464) 1.836 15.603 ( 1.575 0.000 -2.210) 2.714 15.752 ( -1.996 0.000 3.590) 4.107 15.998 ( 2.172 0.000 -2.418) 3.250 16.579 ( 1.347 0.000 -0.141) 1.354 16.600 ( -1.951 0.000 -1.646) 2.552 16.684 ( 1.804 0.000 1.719) 2.492 16.705 ( -0.007 0.000 0.050) 0.051 19.131 ( -2.628 0.000 0.534) 2.681 19.272 ( 2.878 0.000 -3.329) 4.401 20.207 ( -0.597 0.000 3.814) 3.860 20.614 ( 1.130 0.000 -5.783) 5.892 20.990 ( -2.239 0.000 5.133) 5.600 21.461 ( 1.825 0.000 -6.619) 6.866 22.907 ( -6.059 0.000 5.972) 8.508 23.286 ( 3.819 0.000 -3.475) 5.163 26.696 ( -0.363 0.000 0.237) 0.433 26.708 ( 0.437 0.000 -0.033) 0.438 29.424 ( -1.620 0.000 1.244) 2.042 29.542 ( 1.216 0.000 -1.206) 1.712 29.664 ( 1.014 0.000 9.697) 9.749 30.839 ( -2.698 0.000 -1.886) 3.292 30.864 ( 0.242 0.000 -0.055) 0.249 30.902 ( 4.434 0.000 -18.151) 18.685 31.260 ( -10.241 0.000 3.752) 10.906 31.821 ( 5.357 0.000 -13.516) 14.539 32.156 ( -6.022 0.000 2.280) 6.439 32.247 ( 0.717 0.000 -0.967) 1.204 32.408 ( 8.600 0.000 4.511) 9.712 32.657 ( -3.753 0.000 -3.557) 5.171 33.525 ( 0.053 0.000 4.860) 4.860 33.905 ( 0.721 0.000 -3.911) 3.977 35.572 ( 0.321 0.000 3.036) 3.053 35.856 ( 6.404 0.000 13.931) 15.333 35.878 ( 1.284 0.000 -3.853) 4.062 36.153 ( -2.682 0.000 4.821) 5.517 36.558 ( -1.703 0.000 -1.474) 2.252 36.567 ( 1.561 0.000 -4.037) 4.329 37.539 ( -8.906 0.000 7.693) 11.769 38.179 ( 5.642 0.000 -6.048) 8.271 ======================= Grid point 108 (49/93) ======================= q-point: (-0.38 0.50 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.105 2.269 0.144) 2.276 1.115 ( 0.121 0.063 0.200) 0.242 1.721 ( 0.239 10.839 -5.167) 12.010 1.805 ( -1.594 15.437 -2.795) 15.768 1.984 ( 2.222 -0.947 0.791) 2.542 2.058 ( -2.383 -3.872 2.130) 5.021 2.191 ( 1.928 -8.316 1.822) 8.728 2.345 ( -1.724 1.255 -5.223) 5.642 2.427 ( -7.230 3.063 1.627) 8.019 2.598 ( -2.644 -3.653 1.893) 4.890 2.702 ( -0.008 -1.782 7.869) 8.068 2.968 ( 9.838 15.896 -1.820) 18.782 3.087 ( 4.419 1.791 -1.011) 4.874 3.251 ( 1.769 2.119 -5.592) 6.236 3.388 ( -0.262 -10.206 -6.373) 12.035 3.505 ( 0.930 2.314 5.923) 6.427 3.616 ( 2.387 3.249 -2.819) 4.920 3.649 ( -5.284 -2.773 0.876) 6.031 3.779 ( -1.272 -1.429 2.425) 3.089 3.945 ( -6.085 8.420 2.382) 10.658 4.019 ( 1.069 -2.183 7.717) 8.091 4.226 ( -5.225 -13.533 3.037) 14.821 4.368 ( 0.138 -1.746 0.015) 1.751 4.597 ( 1.840 -1.143 -0.680) 2.271 4.668 ( -5.118 -1.794 -6.136) 8.189 4.834 ( 1.968 -1.240 -6.709) 7.101 5.161 ( -3.579 -0.255 4.292) 5.595 5.258 ( -4.835 -2.075 0.583) 5.294 5.312 ( 7.771 0.847 1.959) 8.059 5.385 ( -5.316 -0.021 1.512) 5.527 5.515 ( -0.179 3.532 -0.446) 3.564 5.622 ( 4.882 0.832 0.353) 4.965 6.133 ( -2.589 -1.516 -0.225) 3.008 6.295 ( 2.426 -2.806 -1.635) 4.054 6.581 ( -0.384 -0.284 7.308) 7.324 6.878 ( -5.445 2.084 -7.263) 9.314 6.988 ( 1.375 -1.666 -1.231) 2.487 7.235 ( 4.687 -0.526 -2.135) 5.177 7.346 ( -2.824 1.695 1.883) 3.794 7.371 ( -2.461 -1.137 1.077) 2.918 8.626 ( 2.193 2.530 -2.602) 4.241 8.676 ( 4.059 -1.928 -2.758) 5.272 8.868 ( -8.944 -0.645 -1.138) 9.039 8.995 ( 2.713 -0.390 3.300) 4.290 9.127 ( 4.096 -3.958 0.041) 5.696 9.248 ( 9.556 1.840 0.397) 9.740 9.304 ( 4.365 -0.761 1.528) 4.687 9.437 ( 0.538 -3.095 -1.283) 3.394 10.086 ( -4.061 7.626 3.130) 9.189 10.208 ( -5.243 -4.602 3.772) 7.931 10.373 ( -2.123 6.905 -1.854) 7.458 10.579 ( -0.794 -3.943 -1.822) 4.416 10.940 ( 6.560 -0.995 0.347) 6.644 11.012 ( 5.997 -0.841 -1.421) 6.220 11.511 ( 3.276 0.197 -1.994) 3.841 11.525 ( 5.317 -0.684 0.162) 5.363 12.953 ( -8.374 -1.358 -1.068) 8.551 12.995 ( -4.860 -1.815 0.892) 5.264 13.277 ( -2.180 1.553 1.591) 3.113 13.323 ( -3.333 0.103 -2.124) 3.953 13.490 ( -0.518 0.556 0.221) 0.791 13.575 ( 1.511 -1.888 0.090) 2.420 13.907 ( -4.248 1.959 -0.421) 4.697 13.991 ( -1.643 0.300 0.625) 1.783 14.367 ( -0.045 1.632 -2.463) 2.955 14.435 ( 7.516 2.394 3.024) 8.448 14.867 ( 0.004 2.189 3.215) 3.889 14.967 ( -1.075 -0.449 -2.883) 3.110 15.467 ( 0.444 -0.847 0.765) 1.225 15.601 ( 0.708 2.315 -1.093) 2.656 15.725 ( -2.061 1.413 2.056) 3.236 15.956 ( -3.449 3.978 -1.955) 5.616 16.578 ( 0.250 -0.346 -1.207) 1.280 16.615 ( 2.701 0.018 0.543) 2.755 16.685 ( -1.526 0.676 0.131) 1.674 16.725 ( 2.385 -0.107 0.558) 2.452 19.099 ( -2.367 -1.999 -0.769) 3.192 19.300 ( 1.548 -1.662 -1.938) 2.986 20.206 ( -1.491 2.129 4.148) 4.895 20.557 ( -2.128 1.677 -6.147) 6.718 21.003 ( -0.847 -0.831 5.364) 5.494 21.455 ( 2.121 -0.919 -6.378) 6.784 22.884 ( -1.452 -1.284 3.707) 4.183 23.342 ( 4.352 -1.036 -1.580) 4.745 26.687 ( -0.632 0.784 0.033) 1.008 26.717 ( 0.482 -0.654 0.165) 0.829 29.440 ( 2.737 1.954 1.094) 3.537 29.607 ( 7.174 0.693 -0.663) 7.237 29.710 ( -1.418 2.053 11.966) 12.224 30.601 ( -15.440 0.807 -19.460) 24.854 30.856 ( -0.396 1.070 -2.544) 2.789 30.870 ( 0.454 0.040 -0.101) 0.467 31.162 ( -4.512 1.740 0.712) 4.888 31.745 ( -2.228 5.107 -7.717) 9.518 32.108 ( -1.497 -0.094 1.983) 2.486 32.253 ( 1.095 0.907 -0.255) 1.444 32.558 ( 2.200 3.006 -1.085) 3.880 32.646 ( 8.950 -3.833 -0.686) 9.760 33.556 ( -0.329 0.309 5.180) 5.200 33.894 ( 0.492 -1.286 -4.464) 4.671 35.600 ( 0.499 0.155 4.454) 4.485 35.857 ( 0.121 1.166 -4.621) 4.768 36.060 ( 6.110 -0.940 14.618) 15.871 36.144 ( -2.194 -0.246 4.752) 5.239 36.508 ( -0.246 2.119 -6.691) 7.023 36.581 ( 2.279 -1.226 -3.585) 4.422 37.416 ( -11.139 -0.120 8.536) 14.034 38.270 ( 4.488 -7.109 -4.427) 9.502 ======================= Grid point 109 (50/93) ======================= q-point: (-0.25 0.50 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -1.756 2.545 -1.245) 3.333 1.107 ( -0.263 1.534 0.416) 1.611 1.556 ( -2.115 8.872 -7.160) 11.596 1.730 ( 11.030 12.649 0.678) 16.796 2.027 ( 1.677 3.498 6.448) 7.525 2.079 ( -4.298 -6.847 4.313) 9.163 2.230 ( -2.525 3.146 -0.038) 4.035 2.323 ( -0.209 -3.843 -3.338) 5.095 2.419 ( 9.073 -0.363 -0.679) 9.105 2.560 ( -6.018 -0.750 -2.651) 6.619 2.712 ( 1.728 0.646 2.206) 2.876 3.006 ( 6.780 3.362 4.082) 8.598 3.114 ( -5.512 -0.431 -5.309) 7.665 3.181 ( 0.345 4.592 -0.228) 4.611 3.399 ( 2.822 11.078 3.890) 12.075 3.487 ( -5.236 1.979 -0.554) 5.625 3.563 ( -4.321 -6.203 -1.573) 7.721 3.658 ( 0.676 3.805 1.791) 4.259 3.749 ( -1.951 -5.659 -2.295) 6.411 3.913 ( 5.620 -5.911 -6.553) 10.463 4.121 ( 6.957 0.193 5.708) 9.001 4.294 ( -1.869 -7.244 -0.451) 7.495 4.447 ( 4.015 -4.051 3.629) 6.760 4.557 ( -5.615 -1.627 2.125) 6.220 4.626 ( -4.391 -3.004 0.378) 5.334 4.817 ( -2.506 -2.455 -4.406) 5.632 5.047 ( -12.762 0.557 3.604) 13.273 5.214 ( -2.981 -1.846 -1.598) 3.853 5.299 ( -5.081 2.078 1.987) 5.838 5.400 ( 3.210 2.624 -0.186) 4.150 5.495 ( 1.814 3.045 -1.883) 4.014 5.687 ( 4.557 0.878 0.099) 4.642 6.102 ( -2.517 -2.059 -0.044) 3.252 6.331 ( -1.469 -3.364 -2.287) 4.325 6.610 ( -3.411 -1.012 8.352) 9.078 6.724 ( -4.333 3.008 -5.677) 7.749 7.020 ( 0.879 1.355 -2.018) 2.585 7.217 ( -2.580 1.324 -0.536) 2.949 7.301 ( -1.449 0.491 1.320) 2.021 7.431 ( 5.575 -4.322 0.353) 7.063 8.637 ( 3.796 1.899 -3.345) 5.404 8.755 ( 3.696 -1.128 -1.894) 4.303 8.797 ( -1.238 -4.528 -1.030) 4.806 9.089 ( 6.064 -1.670 2.465) 6.756 9.206 ( 1.217 0.058 -2.118) 2.444 9.394 ( 8.012 -3.599 2.162) 9.045 9.397 ( 8.740 0.279 0.491) 8.758 9.489 ( 0.076 -4.791 0.727) 4.846 9.947 ( -5.447 8.013 1.181) 9.760 10.135 ( -8.496 0.002 1.861) 8.698 10.286 ( -3.258 2.291 -0.632) 4.032 10.543 ( -3.380 1.736 -1.260) 4.003 11.084 ( 9.008 -1.322 0.547) 9.121 11.129 ( 7.646 -1.110 -0.886) 7.777 11.563 ( 5.027 -0.546 -2.604) 5.688 11.641 ( 6.478 -0.078 2.070) 6.802 12.804 ( -10.939 -1.733 -0.834) 11.106 12.935 ( -5.098 -5.007 0.352) 7.154 13.259 ( 0.704 -0.790 -0.367) 1.120 13.274 ( -2.178 -0.542 0.053) 2.245 13.467 ( -0.830 2.412 0.399) 2.582 13.614 ( 1.069 -1.900 0.024) 2.181 13.852 ( -0.453 3.123 0.123) 3.158 13.943 ( -2.438 0.073 -0.506) 2.491 14.354 ( 0.387 1.847 -0.141) 1.893 14.452 ( -3.098 2.916 1.015) 4.374 14.768 ( -7.285 9.561 0.927) 12.056 15.014 ( 5.536 -1.403 -0.313) 5.720 15.491 ( 0.442 -1.728 -0.183) 1.793 15.573 ( 0.592 3.245 0.351) 3.317 15.702 ( -0.399 0.929 -0.222) 1.035 15.814 ( -4.721 7.424 -0.561) 8.816 16.587 ( 1.557 0.567 -1.064) 1.969 16.658 ( 1.086 -0.293 0.360) 1.180 16.666 ( -0.523 -1.169 0.747) 1.483 16.773 ( 3.516 -0.272 -1.003) 3.666 19.087 ( -1.170 -2.504 -1.143) 2.990 19.325 ( 0.064 -2.560 -0.894) 2.712 20.166 ( -2.431 4.598 3.520) 6.280 20.465 ( -2.230 1.444 -4.866) 5.544 21.039 ( -0.349 -0.969 5.789) 5.880 21.470 ( 2.724 -1.622 -5.310) 6.184 22.921 ( 0.887 -2.635 2.190) 3.540 23.413 ( 3.602 -1.088 -0.306) 3.775 26.663 ( -0.887 1.380 -0.004) 1.641 26.736 ( 0.614 -1.109 0.102) 1.272 29.400 ( -3.625 10.230 2.372) 11.110 29.686 ( 6.011 6.338 -0.852) 8.776 29.803 ( 4.400 -2.733 10.108) 11.358 30.289 ( -8.692 -7.812 -14.675) 18.760 30.816 ( -1.169 2.301 -1.999) 3.265 30.874 ( 0.479 0.373 -0.495) 0.783 31.057 ( -5.488 2.704 -1.079) 6.212 31.595 ( -3.536 9.935 -0.395) 10.553 32.118 ( 0.614 -0.847 0.973) 1.428 32.258 ( 0.889 1.523 0.455) 1.822 32.535 ( 0.494 -0.306 -3.438) 3.487 32.845 ( 11.906 0.567 -1.427) 12.005 33.566 ( -1.954 0.479 5.388) 5.752 33.893 ( 1.165 -1.759 -4.682) 5.135 35.639 ( 0.944 0.292 4.585) 4.691 35.801 ( -1.399 1.424 -5.445) 5.799 36.140 ( -2.329 -0.298 5.750) 6.211 36.212 ( 1.997 0.703 8.425) 8.687 36.433 ( 2.617 2.952 -12.667) 13.267 36.612 ( 2.668 -1.337 -3.507) 4.605 37.338 ( -11.950 -7.422 14.400) 20.130 38.377 ( 2.863 -7.413 -4.261) 9.017 ======================= Grid point 110 (51/93) ======================= q-point: (-0.12 0.50 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.978 -0.265 -3.741) 3.876 1.086 ( 0.169 2.326 -0.122) 2.336 1.449 ( 2.288 3.766 -5.849) 7.323 1.755 ( 7.015 12.369 1.101) 14.262 2.035 ( -5.458 -2.868 -0.588) 6.194 2.157 ( 0.709 4.060 -0.820) 4.202 2.227 ( 0.124 -5.727 -0.943) 5.805 2.335 ( 7.189 -1.682 5.818) 9.400 2.459 ( -4.343 -2.627 7.297) 8.888 2.580 ( 4.629 -2.627 -6.450) 8.363 2.763 ( 4.635 6.027 0.874) 7.653 2.895 ( -12.777 -1.228 -1.702) 12.948 3.086 ( 3.442 6.356 2.700) 7.716 3.182 ( 3.303 -2.910 -0.873) 4.487 3.296 ( -2.074 11.026 1.956) 11.388 3.382 ( -10.120 -6.260 -3.873) 12.515 3.618 ( 9.116 4.502 5.135) 11.391 3.662 ( 1.109 -5.859 1.248) 6.093 3.835 ( 3.128 -2.799 -3.874) 5.712 4.013 ( 4.098 -5.604 -5.748) 9.013 4.244 ( 7.881 3.725 -3.650) 9.450 4.354 ( 3.308 -4.117 1.680) 5.542 4.520 ( -7.406 -3.683 5.534) 9.952 4.562 ( -6.633 -3.511 0.850) 7.552 4.569 ( 1.879 -2.508 4.512) 5.494 4.750 ( -4.574 -0.881 0.533) 4.689 4.871 ( -7.670 1.193 1.526) 7.911 5.143 ( -5.295 -0.390 -3.628) 6.431 5.213 ( -2.509 5.965 4.109) 7.665 5.397 ( -1.815 -1.857 -1.222) 2.870 5.449 ( -1.050 3.093 -3.254) 4.611 5.746 ( 4.017 1.967 -1.096) 4.605 6.108 ( -0.346 -3.949 -0.140) 3.966 6.273 ( -4.984 -0.420 -2.875) 5.770 6.561 ( -3.871 3.363 0.701) 5.175 6.657 ( -2.310 0.162 2.289) 3.256 6.964 ( -0.511 3.729 -0.208) 3.770 7.196 ( 0.256 -0.731 -2.702) 2.811 7.315 ( 0.717 -0.993 2.437) 2.727 7.579 ( 5.487 -4.616 0.903) 7.227 8.646 ( 1.477 0.588 -2.692) 3.126 8.779 ( 0.805 -0.745 -1.127) 1.573 8.869 ( 2.959 -2.929 -0.746) 4.230 9.170 ( 1.029 1.426 -1.969) 2.640 9.273 ( 9.139 -5.151 0.006) 10.491 9.518 ( 5.171 -0.468 -0.270) 5.199 9.533 ( 1.887 -2.409 0.023) 3.060 9.609 ( 7.883 -6.416 3.905) 10.888 9.784 ( -5.188 8.354 0.764) 9.864 10.000 ( -8.091 0.810 0.083) 8.132 10.150 ( -10.135 3.544 -0.738) 10.762 10.468 ( -0.578 3.311 -1.294) 3.602 11.226 ( 5.871 -0.921 1.173) 6.057 11.243 ( 5.391 -1.080 -0.285) 5.505 11.627 ( 3.280 -0.338 -0.502) 3.335 11.738 ( 3.815 0.079 1.526) 4.110 12.655 ( -8.095 -1.047 -0.283) 8.168 12.960 ( 0.649 -4.983 -0.311) 5.034 13.263 ( -0.560 -2.056 -0.057) 2.132 13.317 ( 2.718 -3.456 -0.456) 4.420 13.425 ( -1.159 2.861 0.787) 3.186 13.676 ( 3.940 -5.015 -0.510) 6.398 13.808 ( -0.173 1.788 -0.925) 2.021 13.941 ( 1.484 0.298 0.812) 1.718 14.318 ( -2.892 2.580 -0.146) 3.878 14.342 ( -6.641 6.592 0.684) 9.382 14.486 ( -11.399 10.348 0.239) 15.397 15.110 ( 4.019 -1.549 -0.194) 4.311 15.506 ( 0.292 -1.537 -0.952) 1.832 15.576 ( 0.065 0.782 0.718) 1.063 15.659 ( 1.860 7.397 -1.474) 7.768 15.722 ( -2.574 -0.167 1.801) 3.146 16.600 ( 1.570 1.022 -0.324) 1.901 16.665 ( -1.022 -2.216 0.154) 2.445 16.688 ( 1.237 0.424 0.489) 1.397 16.821 ( 3.168 -0.172 -2.179) 3.849 19.099 ( 0.663 -1.766 -0.267) 1.906 19.336 ( -0.751 -1.706 -0.769) 2.016 20.096 ( -2.193 4.686 2.317) 5.669 20.414 ( -0.431 0.063 -2.523) 2.561 21.076 ( -0.829 -0.518 6.179) 6.256 21.502 ( 2.691 -1.673 -4.247) 5.299 22.981 ( 0.907 -3.380 2.775) 4.466 23.459 ( 1.710 0.321 -0.693) 1.873 26.638 ( -0.604 1.007 -0.066) 1.176 26.754 ( 0.393 -0.724 0.012) 0.824 29.210 ( -5.906 9.634 0.982) 11.343 29.627 ( -0.164 8.562 -1.795) 8.750 30.013 ( 5.630 -7.573 11.013) 14.503 30.323 ( 2.574 -10.592 -4.872) 11.939 30.754 ( 0.218 1.213 -4.777) 4.933 30.874 ( 1.369 0.747 -1.697) 2.305 30.961 ( -3.080 0.793 -0.080) 3.181 31.444 ( -2.851 13.241 5.308) 14.547 32.146 ( 0.778 -0.892 1.087) 1.607 32.255 ( 0.179 1.528 0.500) 1.617 32.543 ( 1.625 -1.336 -2.943) 3.617 32.961 ( 7.775 4.087 -5.545) 10.388 33.563 ( -2.635 -0.259 6.590) 7.102 33.906 ( 2.244 -0.918 -4.335) 4.967 35.654 ( -1.359 1.324 -0.806) 2.062 35.748 ( 0.329 0.045 -1.508) 1.544 36.145 ( -2.154 -0.695 5.732) 6.163 36.184 ( -1.221 5.721 -5.519) 8.043 36.421 ( 4.238 -0.918 -7.565) 8.720 36.644 ( 2.631 -0.622 -3.363) 4.315 37.342 ( -12.805 -11.906 17.631) 24.831 38.440 ( 1.979 -3.121 -5.140) 6.331 ======================= Grid point 116 (52/93) ======================= q-point: ( 0.62 -0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -2.970 0.000 -0.689) 3.049 1.119 ( 0.327 -0.000 0.905) 0.962 1.753 ( 1.995 -0.000 -6.081) 6.400 1.769 ( -8.921 0.000 9.618) 13.118 2.041 ( 4.314 -0.000 1.757) 4.658 2.053 ( 1.162 -0.000 -2.655) 2.898 2.264 ( 8.351 -0.000 2.716) 8.782 2.290 ( -0.433 0.000 -6.261) 6.276 2.374 ( -1.691 0.000 -1.164) 2.053 2.516 ( -6.130 0.000 0.540) 6.154 2.719 ( -1.613 0.000 6.700) 6.891 3.094 ( -6.292 0.000 1.895) 6.571 3.110 ( -7.466 0.000 3.900) 8.423 3.316 ( 14.934 -0.000 -6.942) 16.468 3.323 ( 9.422 -0.000 -6.903) 11.680 3.506 ( -8.253 0.000 -10.103) 13.045 3.533 ( -3.461 0.000 6.821) 7.649 3.682 ( -7.287 0.000 1.264) 7.395 3.771 ( 13.005 -0.000 -10.212) 16.535 3.934 ( -5.857 0.000 4.938) 7.661 4.075 ( -0.957 0.000 6.011) 6.087 4.150 ( 6.852 -0.000 5.718) 8.925 4.419 ( 7.403 -0.000 0.951) 7.464 4.567 ( -6.315 0.000 1.472) 6.484 4.571 ( -3.711 0.000 -0.219) 3.717 4.791 ( -2.487 0.000 -4.834) 5.436 5.052 ( -13.141 0.000 5.158) 14.117 5.194 ( -1.920 0.000 -0.906) 2.123 5.301 ( -4.047 0.000 0.874) 4.140 5.453 ( 4.878 -0.000 -1.376) 5.068 5.529 ( 0.252 -0.000 -0.661) 0.707 5.693 ( 3.974 -0.000 0.135) 3.977 6.086 ( -2.747 0.000 0.145) 2.751 6.291 ( 0.247 -0.000 -1.869) 1.885 6.599 ( -3.355 0.000 9.193) 9.786 6.759 ( -5.045 0.000 -6.085) 7.905 7.027 ( 4.425 -0.000 -2.232) 4.956 7.237 ( -2.354 0.000 -1.554) 2.821 7.312 ( -1.851 0.000 1.805) 2.586 7.381 ( 3.475 -0.000 0.284) 3.487 8.672 ( 4.596 -0.000 -6.235) 7.746 8.729 ( 5.386 -0.000 0.022) 5.386 8.743 ( -4.410 0.000 -1.161) 4.560 9.090 ( 6.011 -0.000 3.004) 6.720 9.192 ( 5.328 -0.000 -1.242) 5.471 9.352 ( 2.204 -0.000 3.393) 4.046 9.407 ( 6.000 -0.000 0.871) 6.063 9.440 ( 5.136 -0.000 -1.169) 5.267 10.049 ( -8.694 0.000 1.381) 8.803 10.111 ( -5.362 0.000 2.617) 5.967 10.317 ( -5.583 0.000 -2.129) 5.975 10.549 ( -1.320 0.000 -0.045) 1.321 11.070 ( 9.431 -0.000 0.596) 9.450 11.123 ( 8.427 -0.000 -1.348) 8.535 11.557 ( 5.591 -0.000 -3.813) 6.767 11.640 ( 6.282 -0.000 2.916) 6.926 12.795 ( -8.058 0.000 -1.605) 8.216 12.873 ( -8.394 0.000 1.237) 8.485 13.251 ( -2.665 0.000 -2.751) 3.830 13.268 ( -1.402 0.000 2.391) 2.772 13.507 ( 0.713 -0.000 0.140) 0.727 13.583 ( 0.689 -0.000 -0.024) 0.690 13.892 ( 0.640 -0.000 0.640) 0.905 13.937 ( -4.130 0.000 -0.763) 4.200 14.372 ( -0.216 0.000 -0.138) 0.256 14.480 ( -4.378 0.000 0.876) 4.464 14.893 ( -1.438 0.000 2.447) 2.839 14.973 ( 2.774 -0.000 -1.525) 3.165 15.472 ( 0.625 -0.000 -0.303) 0.695 15.608 ( -0.667 0.000 -0.362) 0.759 15.706 ( -1.698 0.000 1.118) 2.033 15.894 ( -5.490 0.000 -1.016) 5.583 16.586 ( 1.614 -0.000 -0.482) 1.684 16.650 ( -2.656 0.000 0.044) 2.656 16.660 ( 2.160 -0.000 0.889) 2.336 16.770 ( 3.353 -0.000 -0.608) 3.407 19.062 ( -0.401 0.000 -0.930) 1.013 19.299 ( 0.648 -0.000 -0.983) 1.177 20.217 ( -1.915 0.000 4.488) 4.879 20.476 ( -3.906 0.000 -5.490) 6.738 21.029 ( 0.115 -0.000 5.657) 5.659 21.453 ( 2.953 -0.000 -5.697) 6.417 22.893 ( 0.851 -0.000 1.786) 1.978 23.400 ( 3.855 -0.000 0.101) 3.856 26.688 ( -0.184 0.000 -0.342) 0.389 26.715 ( -0.085 0.000 0.475) 0.483 29.549 ( 7.101 -0.000 1.118) 7.189 29.681 ( -5.871 0.000 9.835) 11.454 29.810 ( 11.341 -0.000 2.375) 11.587 30.198 ( -19.061 0.000 -16.195) 25.012 30.837 ( -1.453 0.000 -1.135) 1.844 30.876 ( 0.335 -0.000 0.028) 0.337 31.088 ( -5.870 0.000 -1.697) 6.110 31.698 ( -3.314 0.000 -0.118) 3.316 32.110 ( 0.391 -0.000 1.342) 1.398 32.274 ( 0.742 -0.000 0.535) 0.914 32.532 ( -0.083 0.000 -4.884) 4.885 32.848 ( 12.588 -0.000 2.148) 12.770 33.571 ( -1.939 0.000 4.574) 4.968 33.875 ( 1.616 -0.000 -4.454) 4.738 35.642 ( 1.018 -0.000 4.933) 5.037 35.816 ( -1.793 0.000 -6.092) 6.351 36.138 ( -2.277 0.000 5.045) 5.535 36.215 ( 2.621 -0.000 13.137) 13.395 36.469 ( 1.480 -0.000 -13.164) 13.247 36.595 ( 3.025 -0.000 -3.509) 4.632 37.268 ( -11.902 0.000 7.434) 14.033 38.302 ( 5.931 -0.000 -2.732) 6.530 ======================= Grid point 118 (53/93) ======================= q-point: (-0.25 -0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.696 1.315 -0.909) 1.744 1.126 ( 0.453 1.302 0.520) 1.473 1.623 ( 1.297 14.043 1.275) 14.160 1.927 ( 0.322 -1.459 -0.526) 1.584 1.952 ( -6.829 -9.906 4.945) 13.008 2.034 ( -6.880 -2.654 0.315) 7.381 2.257 ( 0.273 4.616 -2.240) 5.138 2.325 ( 7.641 6.048 -2.097) 9.968 2.411 ( -2.979 -2.767 -1.393) 4.298 2.541 ( 8.418 -7.656 0.552) 11.392 2.759 ( 2.808 0.540 3.731) 4.701 2.986 ( -7.503 3.048 0.707) 8.129 3.029 ( -7.471 -2.120 7.140) 10.549 3.275 ( -3.967 -1.544 -14.979) 15.572 3.309 ( -2.356 8.032 -3.696) 9.150 3.479 ( 4.069 -1.244 -3.930) 5.792 3.564 ( 3.536 0.741 4.373) 5.672 3.741 ( 9.028 -5.060 -1.965) 10.534 3.800 ( 0.260 11.747 5.375) 12.921 3.922 ( 9.564 -2.613 -9.127) 13.476 4.201 ( -0.353 -10.653 8.282) 13.498 4.275 ( 5.669 0.032 -1.090) 5.773 4.444 ( -8.347 -1.791 0.840) 8.578 4.519 ( -1.735 -1.309 2.090) 3.015 4.573 ( 3.384 1.673 5.303) 6.509 4.712 ( -3.856 -2.280 -2.354) 5.061 4.882 ( -9.977 0.249 6.821) 12.089 5.151 ( -2.796 0.759 -1.197) 3.134 5.247 ( -3.481 -0.910 -0.681) 3.662 5.431 ( -2.897 1.995 -3.430) 4.913 5.505 ( -0.986 3.030 -2.127) 3.832 5.762 ( 3.676 -0.292 0.213) 3.694 6.057 ( -0.954 -1.084 -0.312) 1.477 6.263 ( -2.646 -0.481 -2.590) 3.733 6.599 ( -3.320 0.565 8.253) 8.914 6.665 ( -2.073 0.654 -2.676) 3.447 7.046 ( 0.905 3.228 -2.254) 4.040 7.179 ( -2.215 -0.830 -3.214) 3.991 7.337 ( 3.677 2.722 2.907) 5.420 7.475 ( 4.962 -5.009 0.797) 7.095 8.666 ( -0.240 0.939 -3.597) 3.726 8.750 ( 4.299 -1.323 -2.178) 4.998 8.821 ( 4.230 -1.750 -0.561) 4.612 9.208 ( 3.995 1.587 -0.761) 4.366 9.220 ( 4.540 -0.482 0.378) 4.582 9.436 ( 1.730 -4.536 3.622) 6.057 9.506 ( 5.165 -0.677 0.474) 5.231 9.560 ( 9.886 -0.286 -0.478) 9.902 9.899 ( -7.601 2.858 0.118) 8.122 10.016 ( -7.470 0.927 2.055) 7.803 10.201 ( -7.553 1.411 -1.838) 7.900 10.501 ( -4.327 0.420 0.011) 4.348 11.215 ( 6.834 -0.194 1.099) 6.925 11.229 ( 5.300 -0.378 -0.807) 5.374 11.624 ( 4.650 -0.031 -2.501) 5.280 11.737 ( 3.276 -0.061 2.846) 4.340 12.687 ( -2.517 3.861 -0.735) 4.667 12.833 ( -0.030 -6.842 0.287) 6.848 13.212 ( -1.082 -1.626 -2.207) 2.947 13.274 ( 0.035 -1.105 1.978) 2.266 13.496 ( -0.068 3.337 0.233) 3.345 13.603 ( 0.608 -2.846 -0.479) 2.949 13.858 ( -2.443 2.488 -0.606) 3.539 13.929 ( 1.104 -1.212 0.879) 1.860 14.348 ( -2.394 0.917 -0.065) 2.565 14.386 ( -4.944 0.409 -0.171) 4.964 14.763 ( -8.904 13.633 1.076) 16.319 15.016 ( -1.942 -7.746 -0.023) 7.986 15.475 ( -0.996 -0.571 -0.694) 1.342 15.594 ( -0.018 0.360 -0.235) 0.431 15.691 ( -1.719 -0.668 1.306) 2.260 15.797 ( -2.629 3.683 -1.016) 4.637 16.607 ( -0.977 0.051 -0.235) 1.006 16.625 ( 0.647 -1.572 0.045) 1.700 16.692 ( 0.994 0.115 1.134) 1.512 16.823 ( 4.146 0.184 -1.602) 4.449 19.075 ( 2.017 -0.638 0.020) 2.116 19.310 ( 0.858 -0.808 -0.763) 1.404 20.192 ( -2.425 3.923 3.902) 6.042 20.392 ( -3.096 -1.654 -4.041) 5.353 21.069 ( -0.160 -0.165 6.375) 6.380 21.477 ( 3.499 -0.757 -4.867) 6.042 22.926 ( 0.966 -1.721 1.307) 2.367 23.454 ( 2.215 -0.375 0.527) 2.307 26.670 ( -0.278 1.891 -0.287) 1.932 26.727 ( 0.002 -1.728 0.319) 1.757 29.457 ( -7.710 14.947 2.351) 16.982 29.752 ( -10.419 -10.755 2.432) 15.171 29.839 ( 4.507 5.269 -0.797) 6.979 30.110 ( 10.817 -10.296 -2.311) 15.111 30.780 ( -4.565 0.930 -1.987) 5.064 30.880 ( 0.243 0.072 -0.214) 0.332 30.978 ( -4.885 0.650 -1.178) 5.067 31.642 ( -2.702 5.756 6.388) 9.013 32.132 ( 1.086 -0.408 0.966) 1.509 32.278 ( -0.452 0.658 0.716) 1.072 32.521 ( 1.807 -0.671 -4.221) 4.640 33.019 ( 8.279 1.619 -0.112) 8.436 33.555 ( -3.455 -0.345 4.532) 5.709 33.894 ( 3.692 -0.343 -3.893) 5.376 35.684 ( 0.488 1.381 2.563) 2.952 35.738 ( -2.210 -0.812 -5.177) 5.687 36.134 ( -2.446 -0.222 5.736) 6.240 36.280 ( -1.248 3.142 5.309) 6.294 36.404 ( 3.249 -0.690 -17.118) 17.437 36.629 ( 3.159 -0.625 -3.079) 4.456 37.171 ( -10.513 -4.857 12.034) 16.701 38.399 ( 7.290 -1.034 -3.105) 7.991 ======================= Grid point 119 (54/93) ======================= q-point: (-0.12 -0.38 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 2.519 1.409 -2.242) 3.655 1.111 ( -0.084 1.962 -0.481) 2.022 1.566 ( 2.704 5.125 -2.116) 6.169 1.745 ( -14.028 -5.744 -0.628) 15.172 1.856 ( -12.535 -4.088 -2.710) 13.461 2.071 ( -0.575 -0.073 -2.694) 2.756 2.199 ( -0.291 3.905 -1.374) 4.149 2.331 ( -7.940 1.758 -4.134) 9.123 2.532 ( 10.616 -5.978 5.484) 13.360 2.653 ( -0.247 0.084 3.530) 3.540 2.766 ( -1.759 4.079 5.411) 7.001 2.913 ( 6.692 5.966 1.559) 9.100 3.075 ( -0.562 -10.870 0.239) 10.888 3.117 ( -6.297 0.173 -5.485) 8.352 3.256 ( 4.283 0.210 -3.790) 5.723 3.450 ( -2.397 8.373 2.113) 8.962 3.621 ( -0.980 -1.625 5.547) 5.863 3.783 ( -2.906 2.417 -4.155) 5.617 3.869 ( 10.839 1.502 1.799) 11.090 4.051 ( 7.224 -1.189 -5.937) 9.426 4.255 ( -8.300 -4.061 3.269) 9.801 4.347 ( -0.354 -8.643 5.919) 10.481 4.434 ( 5.304 -0.078 -2.683) 5.945 4.507 ( 0.623 5.881 -2.129) 6.285 4.578 ( 3.132 -3.271 1.435) 4.751 4.739 ( 0.403 -5.610 0.231) 5.629 4.872 ( 2.200 3.018 9.266) 9.990 5.083 ( -1.548 2.968 -1.575) 3.699 5.214 ( -1.662 -3.126 0.235) 3.548 5.334 ( -3.590 0.928 -3.297) 4.962 5.422 ( -2.115 3.890 -3.946) 5.931 5.793 ( 0.570 0.730 -0.974) 1.344 6.084 ( 2.190 -3.085 -0.418) 3.807 6.205 ( -1.819 0.526 -2.210) 2.910 6.570 ( -0.799 4.322 0.969) 4.500 6.653 ( 0.111 -0.245 2.613) 2.627 7.001 ( 0.011 4.087 0.269) 4.096 7.146 ( -1.553 -2.471 -4.358) 5.245 7.380 ( 3.158 4.051 2.859) 5.879 7.607 ( 2.972 -4.673 1.265) 5.681 8.635 ( -0.557 -0.303 -2.944) 3.012 8.817 ( 4.379 1.045 0.169) 4.505 8.865 ( -0.161 -1.694 -1.253) 2.113 9.209 ( 2.384 1.719 -1.888) 3.493 9.365 ( 7.801 -3.586 0.032) 8.585 9.520 ( 2.112 -4.037 0.469) 4.580 9.552 ( -0.920 0.440 -0.419) 1.103 9.690 ( 1.232 -2.046 1.500) 2.820 9.788 ( -2.574 4.851 1.219) 5.625 9.909 ( -5.842 2.165 1.688) 6.455 10.046 ( -1.983 2.824 -2.726) 4.397 10.427 ( -5.164 -2.212 -0.598) 5.650 11.276 ( 0.885 -0.911 0.197) 1.285 11.289 ( 0.306 -0.073 1.051) 1.097 11.667 ( 1.801 0.348 0.087) 1.836 11.771 ( -0.965 -0.094 1.621) 1.889 12.654 ( 5.240 5.945 -0.128) 7.926 12.948 ( 4.246 -5.104 -0.264) 6.645 13.224 ( 0.216 -3.431 -0.798) 3.529 13.313 ( 0.376 -3.238 0.489) 3.296 13.458 ( 0.395 4.284 0.443) 4.325 13.665 ( 2.318 -5.485 -1.127) 6.060 13.829 ( 2.906 -0.915 -0.415) 3.075 13.950 ( -0.977 -1.567 0.724) 1.984 14.288 ( -1.666 1.818 -0.601) 2.538 14.324 ( -6.483 9.520 0.246) 11.520 14.425 ( -8.781 9.882 0.642) 13.235 15.054 ( -4.459 -9.957 -0.007) 10.909 15.442 ( -4.142 -3.162 -0.587) 5.244 15.585 ( -0.337 0.909 -0.521) 1.101 15.674 ( -3.475 -1.065 2.522) 4.424 15.744 ( 1.817 4.537 -1.397) 5.083 16.584 ( -2.167 -1.589 0.029) 2.687 16.660 ( 1.590 -0.722 -0.221) 1.761 16.703 ( -0.358 -0.009 1.026) 1.087 16.866 ( 3.340 1.717 -2.163) 4.334 19.134 ( 4.152 0.004 1.409) 4.385 19.329 ( 1.777 -0.031 -1.376) 2.248 20.121 ( -2.466 5.164 2.327) 6.177 20.369 ( -1.131 -3.699 -1.842) 4.285 21.100 ( -1.232 0.308 7.220) 7.331 21.510 ( 3.020 -0.679 -4.251) 5.259 22.977 ( 0.859 -3.632 2.750) 4.636 23.475 ( 0.363 0.502 -0.618) 0.875 26.647 ( -0.010 1.806 -0.195) 1.817 26.745 ( -0.186 -1.564 0.109) 1.579 29.211 ( -6.496 9.084 0.369) 11.174 29.572 ( -10.503 -0.931 -0.759) 10.571 30.025 ( 0.833 -9.687 7.908) 12.533 30.344 ( 8.561 -1.534 -0.761) 8.731 30.706 ( 0.279 -4.934 -3.708) 6.178 30.889 ( 1.737 -0.697 -1.113) 2.177 30.934 ( -0.494 -0.215 0.078) 0.544 31.577 ( -2.060 10.988 11.060) 15.726 32.159 ( 0.776 -0.555 1.110) 1.464 32.260 ( -1.234 0.580 0.520) 1.459 32.540 ( 1.845 -1.038 -2.919) 3.606 33.057 ( 2.718 5.185 -5.552) 8.068 33.543 ( -3.186 -2.106 5.730) 6.886 33.941 ( 4.815 0.787 -3.033) 5.745 35.611 ( -2.757 1.898 -5.476) 6.417 35.762 ( 1.596 -1.469 1.957) 2.921 36.139 ( -2.194 -0.753 6.541) 6.940 36.169 ( -1.322 6.895 -14.059) 15.714 36.396 ( 1.163 -3.916 -6.997) 8.102 36.661 ( 2.357 -0.327 -2.776) 3.657 37.168 ( -9.377 -7.791 16.761) 20.726 38.498 ( 8.677 2.449 -4.363) 10.017 ======================= Grid point 126 (55/93) ======================= q-point: (-0.25 -0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 2.039 -0.000 -0.535) 2.108 1.137 ( -0.378 0.000 -0.950) 1.023 1.632 ( -20.859 0.000 -4.762) 21.396 1.680 ( -20.922 0.000 -0.374) 20.925 1.858 ( -3.292 0.000 1.872) 3.787 1.973 ( 12.282 -0.000 1.440) 12.366 2.277 ( 0.383 -0.000 -1.475) 1.524 2.331 ( -6.343 0.000 -3.794) 7.391 2.561 ( 3.778 -0.000 -5.835) 6.951 2.566 ( 6.312 -0.000 7.698) 9.955 2.827 ( 0.857 -0.000 0.076) 0.860 2.961 ( 2.558 -0.000 4.967) 5.587 3.014 ( 6.156 -0.000 6.757) 9.140 3.134 ( -11.944 0.000 -4.403) 12.730 3.257 ( 4.008 -0.000 -4.675) 6.158 3.373 ( -3.972 0.000 -5.438) 6.734 3.737 ( 3.066 -0.000 -7.463) 8.068 3.851 ( -3.811 0.000 2.868) 4.770 3.890 ( 5.079 -0.000 4.326) 6.672 4.073 ( -11.403 0.000 13.102) 17.369 4.088 ( 20.221 -0.000 -4.428) 20.700 4.279 ( -5.095 0.000 2.000) 5.473 4.422 ( 7.850 -0.000 -4.089) 8.851 4.524 ( 3.069 -0.000 2.976) 4.274 4.626 ( -0.238 0.000 -2.658) 2.668 4.638 ( -0.210 0.000 0.457) 0.503 4.905 ( 2.981 -0.000 10.396) 10.815 5.128 ( 0.197 -0.000 0.383) 0.430 5.160 ( -4.571 0.000 -3.402) 5.698 5.334 ( -4.651 0.000 -6.502) 7.994 5.494 ( -1.650 0.000 -1.896) 2.513 5.783 ( -0.155 0.000 -0.606) 0.625 6.058 ( 1.927 -0.000 -0.146) 1.933 6.210 ( -1.480 0.000 -2.296) 2.731 6.622 ( -0.793 0.000 7.279) 7.322 6.641 ( 0.386 -0.000 -1.558) 1.605 7.073 ( 1.116 -0.000 -1.628) 1.974 7.100 ( -2.966 0.000 -4.414) 5.318 7.470 ( 5.428 -0.000 4.141) 6.827 7.509 ( 3.641 -0.000 0.282) 3.652 8.632 ( -1.222 0.000 -3.092) 3.325 8.833 ( 7.423 -0.000 -1.228) 7.524 8.844 ( -0.807 0.000 -0.219) 0.836 9.215 ( 1.581 -0.000 -1.864) 2.444 9.347 ( 6.850 -0.000 0.960) 6.917 9.467 ( 3.277 -0.000 0.449) 3.308 9.556 ( 0.047 -0.000 -0.104) 0.114 9.672 ( 1.706 -0.000 0.682) 1.837 9.821 ( -1.465 0.000 0.018) 1.465 9.945 ( -5.306 0.000 3.213) 6.203 10.088 ( -3.061 0.000 -3.105) 4.360 10.393 ( -8.891 0.000 -0.068) 8.891 11.265 ( 0.838 -0.000 -0.364) 0.913 11.288 ( 0.877 -0.000 1.427) 1.675 11.672 ( 2.534 -0.000 -1.055) 2.745 11.769 ( -1.430 0.000 2.586) 2.955 12.786 ( 8.533 -0.000 -0.640) 8.557 12.824 ( 5.620 -0.000 0.218) 5.624 13.186 ( 0.465 -0.000 -1.656) 1.720 13.273 ( -0.851 0.000 1.636) 1.844 13.530 ( 1.941 -0.000 0.569) 2.023 13.582 ( 0.301 -0.000 -1.121) 1.161 13.840 ( -0.696 0.000 0.206) 0.726 13.924 ( -1.508 0.000 -0.157) 1.516 14.318 ( -1.306 0.000 -1.482) 1.976 14.346 ( -0.023 0.000 0.775) 0.775 14.752 ( -8.659 0.000 2.024) 8.892 14.791 ( -13.696 0.000 -0.951) 13.728 15.416 ( -5.463 0.000 -0.359) 5.475 15.591 ( -0.162 0.000 -0.877) 0.892 15.659 ( -3.014 0.000 2.825) 4.131 15.796 ( 0.630 -0.000 -1.948) 2.048 16.567 ( -2.364 0.000 -0.100) 2.367 16.648 ( 1.642 -0.000 0.287) 1.667 16.704 ( -0.422 0.000 0.924) 1.016 16.886 ( 4.577 -0.000 -1.745) 4.898 19.134 ( 4.899 -0.000 1.676) 5.178 19.328 ( 2.664 -0.000 -1.393) 3.006 20.208 ( -2.100 0.000 4.678) 5.127 20.300 ( -3.178 0.000 -4.174) 5.246 21.104 ( -0.965 0.000 7.791) 7.850 21.502 ( 3.658 -0.000 -4.487) 5.789 22.936 ( 0.537 -0.000 1.544) 1.635 23.478 ( 0.638 -0.000 0.137) 0.653 26.678 ( 0.096 -0.000 -0.667) 0.674 26.716 ( -0.316 0.000 0.652) 0.725 29.407 ( -12.629 0.000 -6.672) 14.283 29.469 ( -12.027 0.000 7.329) 14.084 29.923 ( 2.230 -0.000 4.136) 4.699 30.311 ( 17.025 -0.000 -0.166) 17.026 30.662 ( -7.175 0.000 -2.881) 7.732 30.883 ( 0.526 -0.000 -0.126) 0.541 30.932 ( -0.723 0.000 -0.210) 0.753 31.694 ( -1.872 0.000 12.409) 12.549 32.153 ( 1.006 -0.000 0.699) 1.225 32.265 ( -1.751 0.000 0.110) 1.754 32.529 ( 2.237 -0.000 -3.328) 4.010 33.116 ( 3.317 -0.000 -2.396) 4.092 33.515 ( -4.109 0.000 4.094) 5.800 33.950 ( 5.676 -0.000 -2.873) 6.362 35.636 ( -3.057 0.000 -6.819) 7.473 35.741 ( 1.602 -0.000 3.180) 3.561 36.133 ( -2.141 0.000 6.200) 6.559 36.293 ( 2.868 -0.000 -29.521) 29.660 36.305 ( -3.992 0.000 7.274) 8.297 36.656 ( 2.708 -0.000 -2.743) 3.855 37.088 ( -7.772 0.000 16.702) 18.422 38.524 ( 10.970 -0.000 -3.795) 11.608 ======================= Grid point 127 (56/93) ======================= q-point: (-0.12 -0.25 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.541 2.009 -1.611) 2.631 1.088 ( -3.655 -1.090 -2.221) 4.414 1.248 ( -25.047 -5.325 -7.116) 26.577 1.344 ( -21.045 -9.731 -0.016) 23.186 1.758 ( -14.088 -0.306 2.764) 14.360 2.161 ( 8.713 3.016 -7.568) 11.928 2.185 ( -1.241 1.637 -1.031) 2.298 2.250 ( -0.619 4.466 -1.987) 4.927 2.560 ( 0.029 -4.697 -4.744) 6.676 2.593 ( -8.578 1.183 9.733) 13.027 2.785 ( -11.734 -4.220 -2.563) 12.731 2.928 ( -3.504 2.080 -0.604) 4.119 3.092 ( 3.592 6.970 2.334) 8.181 3.193 ( 12.665 -0.376 7.614) 14.782 3.367 ( 10.811 3.259 -3.046) 11.695 3.410 ( 6.418 -8.328 -1.582) 10.633 3.583 ( -9.510 5.431 -2.643) 11.266 3.733 ( -10.043 1.351 4.182) 10.962 3.828 ( -10.583 -7.854 4.565) 13.947 4.128 ( -5.216 3.268 5.357) 8.160 4.208 ( 7.056 -1.731 4.953) 8.792 4.427 ( 14.621 0.369 -1.920) 14.751 4.506 ( 4.910 0.950 -1.820) 5.322 4.593 ( 0.477 4.637 -0.824) 4.734 4.693 ( 12.981 -2.382 2.229) 13.385 4.722 ( 7.880 -4.781 -0.975) 9.269 4.989 ( 4.637 1.446 0.998) 4.959 5.077 ( -2.433 -0.682 -2.259) 3.389 5.189 ( 2.680 0.962 0.220) 2.855 5.260 ( 1.175 -4.158 -3.389) 5.491 5.427 ( -1.389 5.158 -1.605) 5.578 5.774 ( -0.071 -1.173 -3.902) 4.075 6.114 ( 4.383 -1.496 0.621) 4.673 6.198 ( 1.571 0.555 -1.044) 1.966 6.619 ( 1.258 4.768 -0.472) 4.954 6.685 ( 2.790 -2.009 2.650) 4.341 7.023 ( -1.644 1.314 -2.378) 3.175 7.075 ( -0.896 -0.355 -2.737) 2.902 7.496 ( 1.822 6.090 2.604) 6.869 7.599 ( 0.023 -3.826 1.776) 4.218 8.603 ( -0.200 -0.488 -2.665) 2.717 8.791 ( -5.224 -0.581 -0.081) 5.257 8.944 ( 7.311 1.266 -0.074) 7.420 9.239 ( 1.939 0.416 -2.724) 3.370 9.434 ( 2.056 -1.732 -0.198) 2.696 9.497 ( -4.513 0.376 0.137) 4.530 9.534 ( 2.003 -0.335 -2.832) 3.485 9.573 ( -11.981 -1.053 1.838) 12.166 9.828 ( -2.501 5.682 4.189) 7.489 9.895 ( 4.608 -1.571 0.046) 4.869 10.130 ( 7.595 2.777 -2.544) 8.478 10.275 ( -6.114 -6.063 -0.839) 8.652 11.263 ( -1.268 -0.133 -0.073) 1.277 11.267 ( -4.028 0.417 1.309) 4.256 11.681 ( -1.349 0.576 1.099) 1.833 11.729 ( -4.992 -0.362 1.693) 5.283 12.875 ( 11.304 7.489 -0.163) 13.561 12.990 ( 6.681 -3.761 -0.279) 7.672 13.202 ( 0.502 -1.210 -0.402) 1.371 13.272 ( -1.601 -3.535 0.629) 3.931 13.535 ( 2.978 5.816 -0.193) 6.537 13.649 ( 3.418 -5.134 -0.269) 6.173 13.872 ( 5.183 -3.300 -0.058) 6.145 13.905 ( -1.355 -1.919 -0.206) 2.358 14.290 ( -4.020 7.145 -1.669) 8.367 14.299 ( -8.784 9.492 0.130) 12.934 14.422 ( -2.292 5.900 0.913) 6.395 14.792 ( -9.144 -19.094 0.609) 21.180 15.332 ( -5.270 -2.223 0.087) 5.720 15.564 ( -2.633 -0.065 -0.190) 2.641 15.642 ( -1.737 -0.405 3.089) 3.567 15.772 ( -1.336 1.932 -1.930) 3.040 16.540 ( -1.535 -0.898 0.375) 1.818 16.671 ( 0.726 -0.518 -0.405) 0.980 16.690 ( -1.869 -0.069 0.427) 1.918 16.928 ( 3.136 2.641 -2.383) 4.743 19.238 ( 6.441 0.827 2.649) 7.013 19.369 ( 4.081 0.559 -2.564) 4.851 20.149 ( -2.560 6.218 1.733) 6.944 20.289 ( -1.250 -6.742 -1.139) 6.951 21.133 ( -1.815 0.786 9.733) 9.932 21.529 ( 2.974 0.098 -4.239) 5.179 22.973 ( 0.741 -3.209 3.033) 4.477 23.475 ( -0.288 0.578 -1.236) 1.395 26.667 ( 0.352 1.761 -0.373) 1.834 26.724 ( -0.480 -1.574 0.296) 1.672 29.170 ( -6.986 4.266 -1.637) 8.348 29.356 ( -10.883 -5.200 2.121) 12.247 29.918 ( -11.606 -4.041 6.736) 14.015 30.513 ( 9.373 5.101 -1.493) 10.775 30.664 ( 7.113 -9.372 -2.233) 11.976 30.910 ( 3.311 -1.457 -0.711) 3.686 30.942 ( 1.662 -0.237 0.100) 1.682 31.724 ( -1.255 7.482 15.411) 17.178 32.168 ( 0.131 -0.288 0.438) 0.540 32.234 ( -2.250 -0.598 0.170) 2.334 32.540 ( 0.859 -0.394 -2.379) 2.560 33.075 ( -0.628 4.793 -11.494) 12.469 33.499 ( -2.867 -2.941 4.713) 6.252 34.016 ( 5.014 1.097 -2.704) 5.801 35.557 ( -1.389 1.005 -4.971) 5.258 35.783 ( 1.146 -0.980 1.408) 2.063 36.078 ( -2.211 5.380 -29.026) 29.603 36.144 ( -1.729 -0.209 6.646) 6.870 36.305 ( -2.816 -5.555 -0.426) 6.243 36.672 ( 1.376 0.024 -2.976) 3.279 37.134 ( -4.377 -2.159 25.660) 26.121 38.676 ( 12.738 3.113 -4.688) 13.926 ======================= Grid point 135 (57/93) ======================= q-point: (-0.12 -0.12 0.20) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -22.182 0.000 4.861) 22.709 0.800 ( -25.367 0.000 1.146) 25.393 1.089 ( -10.637 0.000 -1.310) 10.718 1.091 ( 0.224 -0.000 0.902) 0.930 1.372 ( -28.536 0.000 -0.666) 28.543 2.169 ( 0.590 -0.000 1.177) 1.317 2.205 ( -3.701 0.000 -2.837) 4.663 2.296 ( 1.625 -0.000 -5.937) 6.156 2.463 ( -3.655 0.000 -6.665) 7.601 2.514 ( -7.626 0.000 4.173) 8.693 2.525 ( -12.890 0.000 1.600) 12.988 2.898 ( -1.830 0.000 0.154) 1.836 3.158 ( 3.253 -0.000 -7.081) 7.793 3.313 ( -10.321 0.000 -12.623) 16.305 3.358 ( 0.562 -0.000 8.153) 8.172 3.520 ( -7.801 0.000 11.015) 13.497 3.634 ( 5.574 -0.000 -2.472) 6.098 3.647 ( 10.107 -0.000 -2.803) 10.488 3.726 ( 6.146 -0.000 13.130) 14.497 4.048 ( -6.216 0.000 5.167) 8.083 4.406 ( 10.839 -0.000 2.929) 11.228 4.525 ( -2.294 0.000 -4.076) 4.677 4.627 ( 7.135 -0.000 7.256) 10.177 4.628 ( 1.642 -0.000 3.966) 4.293 4.791 ( 6.584 -0.000 -1.528) 6.759 4.954 ( 11.749 -0.000 4.073) 12.435 5.015 ( -2.283 0.000 -0.323) 2.305 5.103 ( 11.786 -0.000 -6.724) 13.569 5.177 ( 1.370 -0.000 -6.485) 6.628 5.333 ( 4.035 -0.000 -2.157) 4.575 5.476 ( 6.014 -0.000 6.047) 8.528 5.734 ( 1.320 -0.000 -11.057) 11.136 6.207 ( 7.469 -0.000 1.408) 7.600 6.245 ( 3.645 -0.000 0.891) 3.752 6.698 ( 2.892 -0.000 -1.224) 3.140 6.717 ( 3.786 -0.000 0.477) 3.816 6.982 ( 1.505 -0.000 -3.841) 4.126 7.054 ( -2.122 0.000 -1.381) 2.532 7.535 ( -6.212 0.000 4.504) 7.673 7.565 ( -0.557 0.000 -0.525) 0.765 8.597 ( 1.679 -0.000 -2.354) 2.892 8.705 ( -4.360 0.000 -0.634) 4.406 9.045 ( 4.054 -0.000 0.427) 4.077 9.223 ( -7.038 0.000 -2.868) 7.600 9.315 ( -11.011 0.000 -0.252) 11.014 9.321 ( -11.547 0.000 -0.039) 11.547 9.510 ( 3.628 -0.000 -0.000) 3.628 9.626 ( 6.655 -0.000 -0.148) 6.657 9.843 ( -1.290 0.000 2.094) 2.459 9.984 ( 2.949 -0.000 1.283) 3.216 10.130 ( -0.708 0.000 -0.217) 0.740 10.310 ( 11.309 -0.000 -3.277) 11.774 11.195 ( -6.168 0.000 1.430) 6.331 11.229 ( -3.111 0.000 -0.675) 3.183 11.645 ( -5.757 0.000 1.777) 6.025 11.648 ( -4.014 0.000 1.196) 4.188 13.048 ( 6.088 -0.000 -1.167) 6.199 13.096 ( 7.592 -0.000 0.462) 7.606 13.214 ( -2.409 0.000 0.845) 2.553 13.219 ( 1.594 -0.000 -0.441) 1.654 13.612 ( 2.438 -0.000 -1.336) 2.780 13.706 ( 5.303 -0.000 1.512) 5.514 13.915 ( 4.313 -0.000 -0.350) 4.327 13.937 ( 6.917 -0.000 -0.240) 6.921 14.117 ( -18.777 0.000 -1.883) 18.871 14.320 ( 2.133 -0.000 -1.114) 2.406 14.479 ( -1.506 0.000 0.218) 1.521 14.485 ( -8.640 0.000 1.167) 8.718 15.264 ( -1.477 0.000 0.618) 1.601 15.512 ( -3.029 0.000 -0.733) 3.116 15.636 ( -1.613 0.000 3.372) 3.738 15.714 ( -5.341 0.000 -1.689) 5.602 16.529 ( 0.145 -0.000 1.100) 1.109 16.649 ( -2.995 0.000 -0.464) 3.031 16.669 ( 0.075 -0.000 -2.018) 2.020 16.955 ( 0.129 -0.000 -6.684) 6.685 19.367 ( 6.195 -0.000 2.929) 6.853 19.426 ( 4.998 -0.000 -3.818) 6.289 20.179 ( -1.344 0.000 -3.163) 3.437 20.198 ( -1.879 0.000 2.470) 3.103 21.190 ( -0.171 0.000 13.848) 13.849 21.548 ( 2.470 -0.000 -4.101) 4.788 22.985 ( 0.482 -0.000 3.681) 3.712 23.464 ( -0.117 0.000 -2.258) 2.262 26.681 ( 0.487 -0.000 -0.436) 0.653 26.709 ( -0.511 0.000 0.342) 0.615 29.063 ( -5.658 0.000 -1.649) 5.893 29.196 ( -7.844 0.000 2.212) 8.150 29.698 ( -16.868 0.000 5.394) 17.709 30.638 ( 5.015 -0.000 -1.037) 5.121 30.750 ( 8.212 -0.000 -2.000) 8.452 30.976 ( 7.954 -0.000 -2.916) 8.472 30.981 ( 3.336 -0.000 0.113) 3.338 31.843 ( -1.414 0.000 8.940) 9.051 32.161 ( -0.690 0.000 -0.648) 0.947 32.186 ( -3.045 0.000 0.052) 3.046 32.530 ( -0.042 0.000 -2.089) 2.090 32.898 ( -10.213 0.000 -39.438) 40.739 33.475 ( -1.811 0.000 5.504) 5.794 34.071 ( 3.417 -0.000 -3.768) 5.086 35.528 ( 0.223 -0.000 -2.983) 2.992 35.794 ( 0.232 -0.000 -0.031) 0.234 35.838 ( -6.941 0.000 -25.728) 26.648 36.162 ( -1.220 0.000 6.533) 6.646 36.231 ( -3.767 0.000 3.172) 4.925 36.667 ( 0.510 -0.000 -3.557) 3.593 37.359 ( 8.668 -0.000 46.363) 47.167 38.873 ( 12.870 -0.000 -4.427) 13.610 ======================= Grid point 136 (58/93) ======================= q-point: ( 0.00 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 5.567 -0.000 16.793) 17.691 0.866 ( -1.115 0.000 -0.550) 1.244 1.130 ( 7.076 -0.000 9.421) 11.783 1.299 ( 4.990 -0.000 19.531) 20.158 1.444 ( -5.852 0.000 -19.670) 20.522 1.619 ( -1.607 0.000 1.941) 2.520 1.947 ( -3.089 0.000 13.382) 13.734 2.257 ( 0.929 -0.000 -1.105) 1.444 2.303 ( 7.318 -0.000 -1.849) 7.548 2.344 ( -4.696 0.000 -9.892) 10.950 2.532 ( -4.084 0.000 7.547) 8.581 2.697 ( 3.511 -0.000 -9.764) 10.376 2.934 ( -2.539 0.000 9.326) 9.666 3.158 ( 7.137 -0.000 -10.581) 12.763 3.362 ( -6.097 0.000 2.212) 6.486 3.494 ( 0.074 -0.000 -9.240) 9.241 3.495 ( -7.713 0.000 6.863) 10.324 3.644 ( 8.900 -0.000 -10.527) 13.785 4.086 ( 9.238 -0.000 7.211) 11.720 4.186 ( -11.074 0.000 -0.812) 11.104 4.412 ( -6.050 0.000 8.876) 10.742 4.547 ( 0.781 -0.000 -4.002) 4.078 4.673 ( 0.406 -0.000 -0.772) 0.872 4.675 ( 1.278 -0.000 -0.899) 1.562 4.911 ( 6.556 -0.000 0.128) 6.558 4.952 ( -6.816 0.000 -4.682) 8.269 5.128 ( -7.083 0.000 3.722) 8.001 5.231 ( 5.023 -0.000 -6.003) 7.828 5.284 ( 0.256 -0.000 1.246) 1.272 5.288 ( 3.271 -0.000 0.667) 3.338 5.885 ( -4.997 0.000 4.644) 6.822 5.936 ( 5.888 -0.000 -0.429) 5.904 6.388 ( -1.987 0.000 4.694) 5.097 6.521 ( 2.965 -0.000 -8.268) 8.783 6.794 ( 0.103 -0.000 4.438) 4.439 6.882 ( 4.806 -0.000 -3.850) 6.158 7.047 ( -5.865 0.000 3.666) 6.916 7.124 ( 7.179 -0.000 -3.660) 8.058 7.414 ( -1.848 0.000 3.449) 3.913 7.470 ( 0.349 -0.000 -2.081) 2.110 8.604 ( -1.697 0.000 0.283) 1.721 8.619 ( 2.412 -0.000 -1.171) 2.681 8.960 ( 2.870 -0.000 0.708) 2.956 8.979 ( -1.397 0.000 -1.022) 1.731 9.174 ( 1.288 -0.000 2.365) 2.693 9.222 ( -1.339 0.000 -2.171) 2.551 9.630 ( 2.087 -0.000 0.627) 2.179 9.645 ( -4.195 0.000 -0.887) 4.288 9.858 ( 2.961 -0.000 2.177) 3.676 9.892 ( -3.413 0.000 -1.130) 3.595 10.374 ( 0.838 -0.000 4.068) 4.153 10.460 ( -0.540 0.000 -4.184) 4.218 11.038 ( -2.264 0.000 2.235) 3.181 11.083 ( 2.019 -0.000 -2.149) 2.949 11.545 ( -2.635 0.000 0.107) 2.638 11.547 ( 2.516 -0.000 -0.054) 2.517 13.160 ( 0.106 -0.000 0.621) 0.630 13.175 ( -0.233 0.000 -0.790) 0.823 13.205 ( 0.231 -0.000 0.592) 0.635 13.222 ( -0.175 0.000 -1.148) 1.161 13.683 ( -7.941 0.000 0.702) 7.972 13.692 ( 5.806 -0.000 -0.284) 5.813 13.718 ( -1.795 0.000 1.195) 2.156 13.742 ( -1.696 0.000 -1.056) 1.998 14.174 ( 0.253 -0.000 0.478) 0.541 14.181 ( 1.344 -0.000 -0.330) 1.384 14.307 ( -1.172 0.000 1.553) 1.946 14.337 ( 0.113 -0.000 -1.365) 1.369 15.247 ( -0.401 0.000 1.466) 1.520 15.280 ( -1.174 0.000 -1.733) 2.093 15.547 ( 1.482 -0.000 0.453) 1.550 15.557 ( -1.212 0.000 -0.509) 1.315 16.512 ( -3.532 0.000 -0.100) 3.533 16.521 ( 4.758 -0.000 -0.927) 4.847 16.649 ( 3.326 -0.000 1.525) 3.659 16.674 ( -3.378 0.000 -0.907) 3.498 19.492 ( -3.702 0.000 1.235) 3.902 19.518 ( 3.636 -0.000 -1.278) 3.854 20.068 ( -4.341 0.000 2.305) 4.915 20.116 ( 3.258 -0.000 -2.324) 4.002 21.382 ( -5.888 0.000 4.376) 7.336 21.478 ( 3.451 -0.000 -4.847) 5.950 23.172 ( -1.273 0.000 7.592) 7.698 23.323 ( 1.023 -0.000 -6.789) 6.866 26.694 ( 0.554 -0.000 0.058) 0.557 26.696 ( -0.544 0.000 -0.068) 0.548 29.013 ( 1.894 -0.000 1.443) 2.381 29.042 ( -1.910 0.000 -1.243) 2.279 29.421 ( -1.791 0.000 2.905) 3.413 29.488 ( -2.637 0.000 -3.505) 4.386 30.779 ( 1.065 -0.000 1.998) 2.264 30.816 ( -0.794 0.000 -1.463) 1.665 31.119 ( 1.331 -0.000 2.460) 2.797 31.174 ( -1.869 0.000 -2.801) 3.368 32.119 ( -0.729 0.000 0.375) 0.820 32.129 ( 0.874 -0.000 -0.547) 1.031 32.471 ( 2.127 -0.000 0.292) 2.147 32.486 ( 0.634 -0.000 -1.288) 1.435 33.698 ( -2.162 0.000 10.591) 10.809 33.910 ( 1.758 -0.000 -9.817) 9.973 35.634 ( 0.818 -0.000 3.673) 3.763 35.711 ( -0.553 0.000 -3.676) 3.717 36.029 ( 9.155 -0.000 2.523) 9.497 36.088 ( -5.882 0.000 -2.933) 6.573 36.355 ( -2.489 0.000 8.375) 8.737 36.518 ( 2.168 -0.000 -7.353) 7.666 38.982 ( -2.830 0.000 3.446) 4.459 39.051 ( 2.686 -0.000 -3.107) 4.107 ======================= Grid point 137 (59/93) ======================= q-point: ( 0.12 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 5.011 -1.507 -1.776) 5.526 0.934 ( 7.878 -3.196 1.115) 8.574 1.364 ( 9.689 2.540 9.950) 14.118 1.448 ( 12.939 -6.624 -12.888) 19.426 1.483 ( -0.551 3.020 -9.531) 10.013 1.553 ( 13.367 -4.571 12.479) 18.849 2.133 ( 4.347 -7.349 16.849) 18.889 2.210 ( -5.367 -6.547 -20.656) 22.324 2.261 ( 1.214 1.180 -0.113) 1.697 2.453 ( 6.295 -4.292 3.420) 8.352 2.554 ( 3.961 -1.324 3.707) 5.584 2.691 ( 3.409 4.687 -4.354) 7.249 2.986 ( 2.592 -1.075 5.656) 6.314 3.181 ( 6.830 1.608 -13.184) 14.935 3.286 ( -4.274 2.990 6.134) 8.052 3.448 ( 2.745 1.048 1.533) 3.315 3.520 ( -0.861 -5.502 2.027) 5.927 3.742 ( 3.432 -3.924 -6.430) 8.278 4.020 ( -4.364 0.939 -5.614) 7.172 4.214 ( -0.217 0.628 10.283) 10.304 4.386 ( -4.020 3.340 14.996) 15.880 4.582 ( 3.890 -0.105 -4.871) 6.235 4.620 ( -4.651 3.446 -0.095) 5.789 4.666 ( -1.024 -0.126 -1.763) 2.043 4.772 ( -9.572 1.423 -4.615) 10.721 4.959 ( -1.005 1.992 3.537) 4.182 5.082 ( -4.090 -3.431 3.410) 6.335 5.191 ( -8.374 -0.450 0.549) 8.404 5.297 ( 1.070 -0.721 -3.150) 3.403 5.320 ( 1.807 -3.250 -5.003) 6.234 5.684 ( -15.362 6.795 -0.475) 16.804 5.853 ( -7.633 6.613 -0.170) 10.101 6.364 ( -3.301 2.349 3.961) 5.666 6.469 ( -2.591 1.003 -6.888) 7.428 6.729 ( -5.956 6.931 -0.999) 9.193 6.820 ( -0.547 4.915 -2.729) 5.648 6.954 ( -10.119 -5.402 3.055) 11.871 7.167 ( -0.758 -2.471 -3.312) 4.201 7.438 ( 2.598 2.677 3.301) 4.981 7.511 ( 6.240 1.444 -0.855) 6.461 8.586 ( -0.176 0.214 -0.942) 0.981 8.646 ( 2.154 0.050 -0.693) 2.263 9.036 ( 8.003 2.093 -1.190) 8.357 9.109 ( 12.769 -2.000 -0.456) 12.933 9.175 ( -1.333 1.612 -0.743) 2.220 9.217 ( 1.878 -0.971 0.475) 2.167 9.558 ( -3.975 3.253 0.712) 5.185 9.648 ( -1.985 -2.205 1.420) 3.289 9.839 ( 0.349 3.344 -1.391) 3.638 9.921 ( 2.414 -1.802 2.407) 3.856 10.348 ( -7.641 -2.409 2.879) 8.513 10.369 ( -7.734 -2.632 -4.210) 9.191 11.083 ( 5.500 1.321 1.547) 5.864 11.159 ( 6.405 -0.114 -1.241) 6.525 11.541 ( 3.042 0.151 0.656) 3.116 11.594 ( 4.254 2.399 0.472) 4.906 13.113 ( -5.329 0.215 -0.639) 5.371 13.153 ( -1.477 -1.785 0.591) 2.391 13.174 ( -2.510 3.717 0.500) 4.513 13.245 ( 1.673 -2.666 -0.226) 3.156 13.664 ( -4.070 3.620 -1.070) 5.552 13.718 ( 11.130 6.729 0.719) 13.026 13.743 ( 0.462 -0.506 1.063) 1.264 13.991 ( 16.323 -1.575 1.155) 16.440 14.016 ( -3.648 -1.162 0.353) 3.845 14.165 ( -6.951 -9.053 -0.324) 11.418 14.398 ( 2.104 -6.468 -0.955) 6.869 14.496 ( 4.616 -16.180 1.268) 16.873 15.268 ( 0.366 -1.934 0.317) 1.994 15.280 ( 1.891 -2.902 1.214) 3.670 15.576 ( 3.357 0.574 -0.075) 3.407 15.628 ( 6.550 -0.773 0.051) 6.596 16.481 ( -0.260 -0.625 0.017) 0.678 16.612 ( 6.830 -0.666 -2.522) 7.311 16.627 ( -1.791 -0.533 -1.464) 2.374 16.711 ( 2.871 0.038 1.755) 3.365 19.387 ( -7.569 3.320 0.882) 8.312 19.512 ( -1.584 2.288 -0.783) 2.891 20.044 ( -1.961 -1.492 2.688) 3.646 20.181 ( 4.648 -2.686 -1.699) 5.630 21.310 ( -5.691 1.960 7.295) 9.458 21.490 ( 2.670 2.211 -4.189) 5.437 23.186 ( -1.931 2.168 7.413) 7.962 23.301 ( 1.391 -1.342 -6.366) 6.653 26.682 ( -0.842 0.643 -0.110) 1.065 26.707 ( 0.652 -0.806 0.077) 1.040 29.054 ( -1.220 -6.085 -0.117) 6.207 29.152 ( 3.412 -12.098 -0.516) 12.580 29.594 ( 17.497 -2.092 9.526) 20.032 29.697 ( 25.609 -5.081 -6.299) 26.858 30.767 ( -3.705 0.835 -1.016) 3.931 30.804 ( -0.266 -1.437 0.849) 1.690 31.096 ( -5.092 0.263 -0.804) 5.161 31.146 ( -1.864 -3.388 1.754) 4.246 32.134 ( 1.833 -0.651 0.143) 1.950 32.150 ( 1.756 -0.021 -0.251) 1.774 32.497 ( 1.880 -0.079 -2.043) 2.777 32.522 ( 4.545 -1.179 -2.825) 5.480 33.723 ( -2.908 0.229 10.648) 11.040 33.868 ( 1.023 0.615 -9.711) 9.785 35.671 ( 0.300 0.167 1.281) 1.327 35.681 ( 0.023 -0.750 -1.742) 1.897 35.983 ( -4.949 -2.012 -5.577) 7.724 36.179 ( 7.881 -0.879 0.688) 7.960 36.365 ( -2.542 0.387 8.241) 8.633 36.508 ( 2.466 -0.124 -7.442) 7.841 38.744 ( -19.781 12.190 10.349) 25.436 38.917 ( -10.029 8.267 -7.247) 14.881 ======================= Grid point 138 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 3.738 -1.261 -1.785) 4.330 1.020 ( 2.740 -0.297 -1.115) 2.973 1.317 ( 0.892 2.930 -14.230) 14.556 1.534 ( 5.877 4.586 12.128) 14.236 1.767 ( 21.404 -7.750 -11.140) 25.343 1.921 ( 4.488 -10.813 -5.705) 13.023 2.123 ( 4.358 -9.634 -0.067) 10.574 2.232 ( 0.838 3.262 2.531) 4.212 2.344 ( 4.353 -3.147 -3.197) 6.251 2.575 ( 2.863 -1.380 9.775) 10.278 2.673 ( 3.435 2.349 -1.155) 4.318 2.790 ( 12.891 -8.241 0.164) 15.301 3.040 ( 2.462 5.064 -0.422) 5.646 3.203 ( 1.971 2.078 -0.198) 2.871 3.276 ( 2.775 0.152 1.708) 3.262 3.523 ( 3.956 0.131 0.111) 3.960 3.576 ( -0.350 -3.672 0.402) 3.710 3.677 ( -6.498 -3.235 -1.677) 7.450 4.009 ( 3.398 3.972 -2.687) 5.877 4.205 ( -5.447 1.975 9.929) 11.496 4.274 ( -14.026 7.775 4.877) 16.762 4.447 ( -7.138 3.393 4.311) 9.003 4.614 ( 0.201 0.424 -1.213) 1.300 4.662 ( 0.710 -1.666 1.941) 2.655 4.669 ( -0.459 -1.210 -1.848) 2.256 4.898 ( -6.096 1.498 0.322) 6.286 5.003 ( -12.227 1.508 3.499) 12.806 5.127 ( -1.534 -3.772 2.184) 4.621 5.228 ( -9.597 1.932 -7.891) 12.574 5.268 ( -0.491 -2.092 -7.661) 7.957 5.514 ( 1.214 -1.014 1.525) 2.197 5.673 ( -5.987 4.016 -1.735) 7.415 6.290 ( -3.152 4.880 0.592) 5.840 6.349 ( -5.898 0.977 -4.235) 7.326 6.543 ( -5.921 3.895 -2.297) 7.450 6.760 ( -8.560 -3.513 2.847) 9.681 6.918 ( 1.045 -0.873 0.748) 1.553 7.152 ( 0.429 -0.462 -3.403) 3.461 7.455 ( 1.077 4.476 2.318) 5.155 7.593 ( 6.093 2.356 0.455) 6.548 8.586 ( 1.679 0.355 -2.052) 2.675 8.696 ( 3.724 -1.602 0.151) 4.057 9.043 ( -4.121 5.361 1.935) 7.034 9.142 ( 1.150 0.945 -3.605) 3.900 9.283 ( 9.542 3.238 0.081) 10.077 9.352 ( 11.787 -1.288 -0.372) 11.863 9.503 ( 0.981 1.723 0.058) 1.984 9.635 ( -5.284 -6.067 1.751) 8.234 9.823 ( 4.256 7.002 -0.537) 8.212 9.990 ( -0.180 -3.435 0.504) 3.477 10.238 ( -11.907 -4.894 0.003) 12.874 10.265 ( -4.047 -4.214 -1.318) 5.989 11.178 ( 6.699 1.484 1.124) 6.953 11.225 ( 4.292 2.043 -0.511) 4.780 11.621 ( 4.148 0.836 1.373) 4.448 11.658 ( 6.394 0.831 1.014) 6.527 12.976 ( -10.475 5.035 -0.129) 11.623 13.067 ( -4.146 1.932 0.167) 4.577 13.191 ( 1.193 -2.929 0.712) 3.241 13.306 ( 1.888 -3.483 -0.304) 3.973 13.531 ( -5.409 5.130 -0.258) 7.460 13.747 ( -1.072 -0.673 -0.470) 1.351 13.824 ( 14.312 14.160 0.402) 20.137 13.905 ( -2.031 -0.903 0.255) 2.238 14.123 ( -9.789 -11.835 -0.803) 15.379 14.296 ( 5.307 -2.323 0.641) 5.829 14.432 ( -1.830 -3.566 -1.538) 4.293 14.792 ( 8.228 -18.305 1.711) 20.142 15.327 ( 3.191 -4.261 -0.391) 5.337 15.401 ( 5.576 -4.864 2.679) 7.869 15.623 ( 3.242 1.918 0.573) 3.810 15.726 ( 3.983 -0.337 0.066) 3.998 16.516 ( 2.855 -0.696 0.995) 3.102 16.616 ( 0.288 -2.060 -1.263) 2.433 16.702 ( 5.554 -0.539 -3.188) 6.426 16.749 ( 0.867 1.127 1.862) 2.343 19.241 ( -5.757 4.216 1.470) 7.285 19.435 ( -4.095 2.294 -0.945) 4.788 20.055 ( -0.797 -1.605 2.374) 2.975 20.279 ( 4.251 -3.594 -1.078) 5.670 21.262 ( -4.205 1.792 8.319) 9.492 21.471 ( 2.233 3.347 -5.012) 6.427 23.167 ( -1.354 3.539 5.646) 6.800 23.324 ( 1.715 -3.823 -3.711) 5.597 26.657 ( -0.932 1.089 -0.131) 1.440 26.730 ( 0.755 -1.234 0.038) 1.447 29.089 ( -1.037 -4.349 0.685) 4.523 29.318 ( 6.006 -7.850 -0.806) 9.917 30.010 ( 20.952 -2.253 7.266) 22.290 30.188 ( 23.203 -10.189 3.000) 25.519 30.654 ( -8.138 1.492 -0.948) 8.328 30.820 ( -0.031 -1.189 0.817) 1.443 31.013 ( -4.262 -0.184 -0.218) 4.271 31.191 ( 0.530 -5.987 4.881) 7.742 32.172 ( 1.340 0.231 0.907) 1.634 32.183 ( 2.214 -1.400 -0.149) 2.624 32.512 ( 2.434 0.796 -3.008) 3.950 32.605 ( 5.815 -3.373 -4.777) 8.247 33.733 ( -3.100 0.489 9.451) 9.958 33.820 ( 1.049 0.516 -8.269) 8.351 35.623 ( -2.769 -0.331 -4.442) 5.245 35.727 ( 1.807 -0.549 3.027) 3.568 35.906 ( -2.645 -3.187 -8.410) 9.374 36.302 ( 5.341 -1.202 1.259) 5.617 36.366 ( -1.981 1.463 6.640) 7.082 36.512 ( 2.996 -0.959 -6.610) 7.320 38.340 ( -21.173 16.033 10.711) 28.637 38.570 ( -12.581 7.762 -10.593) 18.186 ======================= Grid point 139 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.607 3.075 -2.473) 4.261 1.055 ( 1.091 -0.796 0.664) 1.505 1.328 ( 9.006 -2.120 -2.686) 9.634 1.650 ( 6.258 -0.074 2.663) 6.801 1.889 ( -4.402 -9.100 -11.349) 15.198 2.004 ( 6.030 -1.850 -7.950) 10.148 2.204 ( 0.203 3.904 2.255) 4.513 2.336 ( -2.104 0.306 -8.220) 8.490 2.471 ( 10.372 -12.357 8.296) 18.141 2.637 ( 3.575 3.058 5.776) 7.449 2.801 ( 6.751 1.080 2.714) 7.356 2.975 ( 5.729 2.067 -5.123) 7.958 3.011 ( -1.215 -2.006 4.117) 4.738 3.199 ( -3.244 -1.153 3.986) 5.267 3.314 ( 0.633 2.241 4.872) 5.400 3.509 ( -1.769 6.029 -6.961) 9.377 3.533 ( 3.093 1.165 -2.571) 4.187 3.757 ( 5.028 -8.159 -0.388) 9.591 3.891 ( -9.895 5.791 5.357) 12.655 4.061 ( -4.525 2.325 1.508) 5.306 4.179 ( -2.910 6.854 4.605) 8.755 4.381 ( 4.405 0.272 -3.820) 5.837 4.602 ( -3.636 0.170 -1.821) 4.070 4.641 ( -3.530 1.685 -1.674) 4.254 4.667 ( -8.669 -2.869 3.130) 9.653 4.784 ( -6.344 -0.734 -0.538) 6.409 4.874 ( -0.966 -2.584 10.128) 10.497 5.060 ( -3.044 -0.375 -2.912) 4.229 5.198 ( 0.329 -1.762 1.565) 2.380 5.254 ( 2.425 -2.958 -7.727) 8.622 5.486 ( -5.010 3.413 -1.284) 6.197 5.653 ( 2.873 -3.667 0.154) 4.660 6.192 ( -1.812 5.096 -1.386) 5.583 6.237 ( -4.286 0.928 -2.023) 4.830 6.461 ( -2.062 -0.683 -0.933) 2.364 6.684 ( -6.090 -2.807 2.674) 7.219 6.971 ( 2.927 -0.142 1.856) 3.469 7.142 ( 0.919 0.738 -4.060) 4.228 7.417 ( -1.207 4.135 1.773) 4.658 7.655 ( 3.421 1.395 0.590) 3.741 8.601 ( 1.965 0.402 -2.123) 2.920 8.774 ( 2.199 -1.194 0.969) 2.683 8.928 ( -3.299 2.992 0.357) 4.468 9.121 ( 0.363 1.467 -1.782) 2.336 9.380 ( 8.112 5.209 -0.190) 9.642 9.501 ( 2.609 -1.644 -0.250) 3.094 9.536 ( 4.355 -0.291 -0.785) 4.435 9.656 ( -1.006 -6.753 2.241) 7.186 9.819 ( 5.180 8.559 0.211) 10.006 9.932 ( -6.408 -1.111 -2.734) 7.055 10.088 ( -12.913 -4.317 1.423) 13.689 10.341 ( 4.672 -5.848 -0.544) 7.505 11.262 ( 4.033 0.433 0.235) 4.063 11.275 ( 4.359 1.430 0.575) 4.623 11.666 ( 2.593 1.780 1.128) 3.341 11.753 ( 3.812 -0.469 0.835) 3.930 12.725 ( -11.355 5.964 0.118) 12.826 13.011 ( -1.701 0.692 0.039) 1.837 13.243 ( 0.515 -3.678 0.267) 3.723 13.349 ( 0.814 -0.162 -1.041) 1.331 13.428 ( -2.193 2.163 0.676) 3.153 13.724 ( -1.258 -0.310 -1.430) 1.930 13.900 ( 11.796 12.550 -0.109) 17.224 13.938 ( 3.154 -0.278 1.322) 3.431 14.074 ( -10.981 -13.090 -0.540) 17.094 14.303 ( -2.660 -0.965 -0.580) 2.889 14.417 ( -2.748 -0.844 0.482) 2.914 15.052 ( 6.827 -7.882 -0.262) 10.431 15.432 ( 3.502 -5.531 -0.621) 6.576 15.528 ( 3.083 -2.715 0.895) 4.204 15.641 ( 1.555 2.569 1.207) 3.236 15.751 ( -0.269 0.509 -0.171) 0.601 16.576 ( 2.850 -1.145 0.358) 3.092 16.655 ( 1.381 -2.433 -0.134) 2.801 16.729 ( -1.265 2.367 1.610) 3.129 16.760 ( 2.806 -0.023 -2.829) 3.985 19.161 ( -1.406 2.784 2.141) 3.783 19.344 ( -3.737 1.097 -1.315) 4.110 20.074 ( -0.379 -1.287 1.877) 2.307 20.357 ( 2.537 -2.117 -0.932) 3.433 21.243 ( -3.117 0.792 8.168) 8.779 21.442 ( 2.249 2.619 -5.890) 6.827 23.155 ( -0.208 3.135 4.832) 5.764 23.365 ( 0.849 -3.865 -2.672) 4.775 26.634 ( -0.598 0.787 -0.111) 0.995 26.751 ( 0.513 -0.873 -0.021) 1.013 29.115 ( -0.343 -2.156 0.991) 2.398 29.477 ( 6.653 -3.934 -1.082) 7.804 30.307 ( 6.395 -0.809 6.509) 9.161 30.509 ( -4.643 4.448 3.458) 7.301 30.533 ( 9.421 -7.692 -3.008) 12.529 30.834 ( 0.279 -0.373 0.522) 0.700 30.966 ( -1.783 0.022 0.035) 1.783 31.349 ( 4.590 -5.384 9.912) 12.178 32.196 ( 0.766 -0.017 2.307) 2.431 32.226 ( 1.388 -1.205 -0.073) 1.839 32.523 ( 2.603 1.776 -1.956) 3.709 32.699 ( 4.268 -5.574 -6.250) 9.399 33.736 ( -3.004 0.548 8.308) 8.851 33.796 ( 2.397 -0.163 -6.793) 7.205 35.550 ( -2.971 -0.472 -4.353) 5.292 35.775 ( 1.469 -0.386 1.990) 2.503 35.850 ( -1.347 -2.856 -9.668) 10.170 36.345 ( -2.410 2.150 7.448) 8.118 36.396 ( 3.199 -0.806 -0.094) 3.301 36.539 ( 3.432 -1.208 -5.392) 6.505 37.935 ( -15.500 14.046 5.274) 21.572 38.323 ( -5.773 1.466 -6.163) 8.570 ======================= Grid point 140 (62/93) ======================= q-point: (-0.50 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 1.753 1.297 -2.432) 3.266 1.082 ( 1.082 -0.249 0.151) 1.121 1.544 ( 9.244 0.121 6.372) 11.228 1.757 ( 2.303 -3.841 -9.473) 10.478 1.835 ( -3.813 -4.568 -1.556) 6.151 1.872 ( -7.827 8.157 -5.788) 12.700 2.177 ( -0.811 3.529 0.396) 3.643 2.231 ( -4.308 -1.480 -0.874) 4.638 2.698 ( 0.645 -5.907 1.726) 6.188 2.734 ( 2.062 -2.364 4.784) 5.720 2.797 ( 0.473 4.008 2.930) 4.988 2.964 ( -5.596 0.048 -5.630) 7.938 3.076 ( 5.777 -1.439 5.970) 8.431 3.155 ( -1.894 4.575 0.435) 4.971 3.338 ( -2.984 -2.982 4.715) 6.327 3.402 ( 2.600 7.026 0.901) 7.546 3.644 ( 3.115 -3.612 -0.574) 4.804 3.734 ( -2.577 1.420 -3.004) 4.205 3.862 ( 4.060 1.231 -3.199) 5.313 4.019 ( -0.861 0.079 1.126) 1.420 4.163 ( 4.419 -5.779 -3.002) 7.869 4.402 ( -7.119 1.298 1.000) 7.305 4.495 ( -7.086 -0.125 3.286) 7.811 4.538 ( 4.477 2.946 0.169) 5.362 4.623 ( 2.490 -0.006 -1.486) 2.900 4.799 ( 2.377 -0.130 -0.887) 2.541 4.969 ( -0.227 -2.671 7.069) 7.560 5.042 ( -0.425 0.307 -0.016) 0.525 5.219 ( 3.068 -0.326 -2.926) 4.252 5.286 ( 1.056 -1.200 1.272) 2.042 5.354 ( -4.748 3.396 -3.648) 6.884 5.717 ( 0.813 -2.206 -0.653) 2.440 6.139 ( 0.310 1.743 -0.614) 1.874 6.180 ( -0.362 0.922 -0.848) 1.304 6.451 ( -1.180 -2.634 -0.531) 2.935 6.669 ( 0.576 -1.071 0.745) 1.426 7.022 ( 1.061 -0.101 3.272) 3.441 7.106 ( -0.704 1.948 -4.185) 4.670 7.390 ( -0.472 -0.114 1.633) 1.704 7.677 ( -0.365 0.059 0.636) 0.735 8.604 ( 0.282 0.726 -1.388) 1.592 8.796 ( 2.182 -0.324 -0.447) 2.251 8.899 ( -0.879 1.204 0.558) 1.592 9.117 ( 0.684 -1.428 -1.876) 2.455 9.442 ( 2.574 1.687 -1.046) 3.250 9.487 ( -1.613 -1.212 -0.318) 2.043 9.586 ( 0.105 0.609 -0.036) 0.619 9.728 ( -0.434 -5.692 3.644) 6.773 9.779 ( -2.623 4.197 -1.154) 5.082 9.878 ( -3.396 -0.715 0.559) 3.515 9.994 ( 3.871 1.224 -0.855) 4.149 10.420 ( 0.382 -0.658 -0.803) 1.106 11.296 ( -0.310 -0.097 0.119) 0.346 11.311 ( 0.114 0.300 0.716) 0.785 11.685 ( 0.276 0.121 0.655) 0.721 11.788 ( -0.028 0.093 0.496) 0.506 12.592 ( 0.156 -0.032 -0.018) 0.161 12.996 ( 0.310 0.134 -0.111) 0.355 13.272 ( -0.245 -0.751 0.044) 0.792 13.329 ( 0.111 1.112 -0.565) 1.252 13.420 ( -0.099 -0.678 0.354) 0.771 13.703 ( -0.348 0.249 -0.755) 0.868 13.953 ( 2.340 2.267 0.091) 3.259 13.966 ( -0.206 -0.321 -0.316) 0.495 14.041 ( -2.250 -2.385 0.679) 3.348 14.280 ( -0.238 0.312 0.123) 0.411 14.392 ( 0.228 -0.084 0.075) 0.254 15.145 ( -0.074 0.117 -0.202) 0.245 15.502 ( 0.592 0.787 -0.715) 1.218 15.547 ( -0.207 -0.378 -0.095) 0.441 15.659 ( 0.117 -1.247 0.559) 1.372 15.732 ( -0.367 0.843 0.520) 1.056 16.624 ( 0.372 0.509 0.506) 0.808 16.657 ( -0.676 0.195 -0.344) 0.783 16.717 ( -0.041 -0.922 1.631) 1.874 16.772 ( 0.886 -0.447 -3.128) 3.282 19.161 ( 1.572 0.136 1.048) 1.894 19.295 ( -0.684 -0.347 -1.122) 1.359 20.088 ( -0.398 -0.922 1.158) 1.533 20.385 ( 0.835 0.581 -1.011) 1.434 21.249 ( -2.416 -0.937 7.858) 8.274 21.421 ( 2.215 1.187 -6.215) 6.704 23.156 ( 0.538 3.116 4.308) 5.344 23.386 ( -0.350 -2.919 -2.790) 4.053 26.625 ( -0.015 -0.039 -0.079) 0.090 26.760 ( -0.024 -0.025 -0.028) 0.045 29.131 ( 0.053 -0.478 0.580) 0.753 29.550 ( 0.001 0.661 -0.733) 0.987 30.315 ( -8.111 -5.604 4.994) 11.052 30.462 ( -1.499 8.063 8.283) 11.657 30.694 ( 12.491 1.964 -9.239) 15.660 30.846 ( 0.653 -1.071 -0.742) 1.457 30.953 ( 0.480 0.759 -0.025) 0.898 31.500 ( 1.391 -5.726 4.823) 7.615 32.217 ( 0.291 0.949 2.335) 2.537 32.247 ( -0.143 -1.216 -0.134) 1.232 32.534 ( 1.381 1.414 -0.408) 2.018 32.748 ( 0.511 -4.217 -7.641) 8.743 33.712 ( -4.304 1.583 6.168) 7.686 33.829 ( 4.804 -1.715 -5.257) 7.325 35.498 ( -1.202 -0.375 -2.441) 2.746 35.791 ( -1.252 -1.350 -6.508) 6.763 35.806 ( 0.439 -0.081 -0.526) 0.690 36.330 ( -2.387 1.791 7.066) 7.670 36.427 ( 0.071 0.548 0.711) 0.901 36.566 ( 2.810 -0.601 -5.561) 6.260 37.687 ( -7.994 7.846 11.276) 15.894 38.279 ( 3.417 -4.282 -7.145) 9.004 ======================= Grid point 141 (63/93) ======================= q-point: (-0.38 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.971 -0.630 -2.451) 2.710 1.080 ( -0.573 0.700 -1.497) 1.749 1.335 ( -18.293 12.457 -3.178) 22.359 1.675 ( -6.955 14.885 6.481) 17.662 1.730 ( 2.315 -2.326 -5.574) 6.468 1.938 ( -1.037 -3.907 0.394) 4.061 2.183 ( 0.437 -4.245 4.473) 6.182 2.215 ( -1.179 -1.162 3.198) 3.601 2.601 ( -4.944 8.540 -3.946) 10.628 2.735 ( -7.481 -2.610 1.967) 8.163 2.800 ( -9.961 0.579 -1.287) 10.060 2.891 ( 2.258 -5.858 0.111) 6.279 3.074 ( -1.889 6.918 3.300) 7.894 3.212 ( -1.567 -3.731 -0.455) 4.072 3.296 ( 1.103 2.936 -0.211) 3.144 3.422 ( -1.192 -4.154 3.865) 5.798 3.605 ( 3.787 -1.175 -6.336) 7.475 3.717 ( -0.091 4.007 2.087) 4.519 3.991 ( -1.968 -1.935 -0.501) 2.805 4.071 ( 9.414 -7.605 -0.361) 12.108 4.279 ( -0.418 0.105 3.691) 3.716 4.319 ( 4.122 -9.588 -6.913) 12.518 4.501 ( 5.269 2.896 6.127) 8.584 4.574 ( 0.399 0.349 4.399) 4.431 4.752 ( 10.926 3.210 -3.771) 11.996 4.797 ( 5.934 3.172 -1.868) 6.983 5.004 ( 0.475 -1.032 2.754) 2.979 5.050 ( 0.082 -0.005 -0.942) 0.945 5.154 ( -1.645 4.273 -5.396) 7.076 5.241 ( -3.626 2.248 -1.291) 4.457 5.414 ( 7.374 -2.292 5.025) 9.213 5.700 ( -2.539 0.474 -3.321) 4.208 6.160 ( 1.849 -2.486 1.053) 3.272 6.201 ( 4.103 1.529 1.370) 4.588 6.465 ( -0.346 -4.317 -1.386) 4.547 6.726 ( 6.213 0.988 -0.903) 6.355 7.018 ( -2.484 2.227 -1.915) 3.847 7.062 ( -0.488 0.298 2.375) 2.443 7.427 ( 0.674 -4.566 1.049) 4.733 7.652 ( -4.054 -1.466 0.802) 4.384 8.583 ( -0.751 0.787 -0.590) 1.237 8.804 ( -3.590 1.650 -1.617) 4.269 8.923 ( 6.860 -1.524 1.001) 7.098 9.130 ( -0.994 -3.457 -2.815) 4.568 9.392 ( -6.795 -4.640 -1.595) 8.382 9.498 ( -4.588 0.915 0.177) 4.682 9.521 ( -3.129 0.901 0.739) 3.339 9.683 ( -1.253 6.087 0.305) 6.222 9.782 ( -4.204 -7.943 3.167) 9.529 9.892 ( 6.077 0.425 0.738) 6.136 10.114 ( 11.455 4.240 -0.838) 12.243 10.356 ( -3.472 4.744 -1.735) 6.129 11.259 ( -4.052 -0.977 0.297) 4.178 11.279 ( -4.533 -0.494 0.404) 4.577 11.677 ( -2.698 -1.869 0.122) 3.284 11.760 ( -3.319 0.894 0.303) 3.450 12.730 ( 11.628 -6.026 -0.279) 13.100 13.016 ( 2.173 -0.434 -0.391) 2.250 13.249 ( -0.271 3.403 -0.161) 3.417 13.333 ( -0.608 0.053 0.434) 0.748 13.438 ( 1.579 -2.510 -0.291) 2.980 13.703 ( 0.905 0.469 0.462) 1.120 13.902 ( -11.230 -11.275 -0.314) 15.916 13.959 ( -2.736 -0.592 -0.768) 2.902 14.057 ( 9.622 12.077 0.956) 15.471 14.289 ( 2.105 1.238 0.617) 2.519 14.426 ( 3.088 1.238 -0.320) 3.342 15.050 ( -6.505 7.161 -0.019) 9.675 15.425 ( -3.038 6.575 -0.037) 7.243 15.549 ( -0.984 0.664 -1.103) 1.620 15.660 ( -2.265 -3.081 -0.289) 3.835 15.737 ( 0.610 0.819 0.989) 1.422 16.578 ( -1.947 1.921 0.123) 2.738 16.660 ( -0.888 0.498 -0.462) 1.118 16.716 ( -2.198 0.500 1.181) 2.545 16.782 ( 0.606 -3.809 -3.298) 5.074 19.211 ( 3.028 -3.009 -1.902) 4.673 19.321 ( 3.239 -1.091 0.428) 3.445 20.093 ( -0.449 -0.562 0.265) 0.767 20.361 ( -0.626 3.220 -1.373) 3.556 21.283 ( -1.990 -3.060 7.990) 8.784 21.413 ( 2.417 -0.218 -6.527) 6.963 23.161 ( 0.812 3.584 4.118) 5.519 23.378 ( -1.053 -2.113 -3.598) 4.303 26.633 ( 0.578 -0.859 -0.055) 1.036 26.751 ( -0.568 0.790 0.017) 0.973 29.131 ( 0.547 1.705 -0.352) 1.825 29.460 ( -6.559 4.614 0.362) 8.028 30.186 ( -20.075 -1.290 10.272) 22.588 30.485 ( 10.194 5.013 0.799) 11.388 30.757 ( 8.147 7.276 -8.080) 13.587 30.870 ( 2.331 -1.346 -4.551) 5.287 30.966 ( 2.796 1.753 -0.138) 3.303 31.555 ( -3.909 -8.391 -6.967) 11.586 32.211 ( -0.809 1.718 1.224) 2.259 32.242 ( -1.421 -0.664 -0.906) 1.812 32.523 ( -2.205 -0.699 -1.249) 2.629 32.688 ( -3.011 2.015 -8.319) 9.073 33.660 ( -4.132 1.788 5.608) 7.192 33.890 ( 4.499 -1.988 -6.063) 7.807 35.493 ( 1.134 -0.073 0.691) 1.330 35.744 ( -1.369 -0.031 -1.345) 1.919 35.806 ( -0.021 0.643 -0.818) 1.041 36.323 ( -2.905 0.725 7.892) 8.441 36.396 ( -1.982 2.855 0.200) 3.482 36.567 ( 1.461 -0.391 -6.382) 6.559 37.695 ( 1.176 -0.896 22.239) 22.288 38.410 ( 11.008 -8.103 -8.987) 16.358 ======================= Grid point 142 (64/93) ======================= q-point: (-0.25 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -7.474 2.207 5.109) 9.319 0.978 ( -8.095 6.360 0.988) 10.342 1.097 ( -2.435 -1.248 3.616) 4.534 1.436 ( -14.514 14.101 15.462) 25.467 1.623 ( -10.337 11.293 8.507) 17.514 1.916 ( 0.995 -4.163 -12.671) 13.374 2.188 ( -5.584 -2.286 1.802) 6.297 2.255 ( -0.345 1.561 1.692) 2.327 2.384 ( -5.293 7.637 -9.483) 13.276 2.626 ( -7.894 0.874 2.786) 8.417 2.653 ( -8.632 -1.600 4.711) 9.963 2.889 ( -4.663 1.060 -10.883) 11.887 2.973 ( -4.495 2.535 5.601) 7.616 3.112 ( -4.898 -0.487 -0.519) 4.949 3.388 ( 3.596 -4.617 -3.144) 6.644 3.507 ( 2.919 -4.575 0.778) 5.482 3.646 ( 0.050 -1.665 -5.544) 5.789 3.727 ( 5.788 3.568 0.680) 6.834 3.883 ( -8.594 6.167 4.032) 11.320 4.211 ( 3.478 -7.937 8.707) 12.284 4.408 ( 2.650 -3.440 -5.470) 6.984 4.476 ( 12.584 -0.858 1.328) 12.683 4.564 ( -0.648 -2.012 2.753) 3.471 4.722 ( 5.202 2.182 0.177) 5.644 4.752 ( 7.457 -3.266 -6.365) 10.334 4.935 ( 5.635 -1.483 -6.575) 8.786 5.025 ( 6.475 -0.322 2.155) 6.832 5.082 ( 6.445 0.614 4.701) 8.001 5.136 ( 4.673 4.407 1.512) 6.599 5.189 ( -0.590 -1.892 -2.975) 3.575 5.553 ( -0.059 0.610 -0.546) 0.820 5.636 ( 4.438 -0.647 0.347) 4.499 6.254 ( 4.477 -3.221 2.764) 6.169 6.287 ( 5.910 0.216 3.088) 6.671 6.525 ( 2.384 -7.147 -0.913) 7.589 6.809 ( 7.133 4.846 -1.655) 8.780 6.950 ( 0.345 1.726 -2.226) 2.838 7.071 ( -0.600 0.495 3.747) 3.827 7.485 ( -0.579 -5.045 -0.152) 5.080 7.587 ( -7.332 -2.556 0.907) 7.818 8.569 ( 0.281 0.250 -0.528) 0.648 8.705 ( -4.627 1.521 -0.601) 4.907 9.062 ( 5.159 -0.704 1.973) 5.568 9.113 ( -3.788 -4.750 -2.806) 6.692 9.288 ( -9.645 -1.947 -0.527) 9.853 9.343 ( -10.902 0.308 0.592) 10.923 9.506 ( 0.186 -1.681 -0.171) 1.700 9.664 ( 5.700 5.898 -0.645) 8.228 9.796 ( -4.740 -6.534 1.392) 8.191 9.991 ( 2.994 0.381 0.677) 3.093 10.182 ( 3.043 4.603 2.100) 5.904 10.319 ( 9.573 5.029 -3.194) 11.275 11.195 ( -6.798 -1.480 -0.136) 6.959 11.212 ( -4.224 -1.756 0.433) 4.595 11.639 ( -4.418 -1.983 -0.025) 4.843 11.673 ( -6.101 0.788 -0.472) 6.170 12.982 ( 10.541 -4.912 -0.649) 11.647 13.072 ( 4.342 -1.861 -0.312) 4.734 13.208 ( -0.461 2.905 -0.725) 3.030 13.296 ( -1.936 2.805 0.508) 3.446 13.529 ( 4.837 -4.746 -0.116) 6.778 13.729 ( 1.893 -0.095 1.005) 2.146 13.830 ( -13.402 -13.963 -0.172) 19.355 13.920 ( 0.128 0.448 -1.066) 1.163 14.103 ( 9.606 11.567 0.910) 15.063 14.302 ( -1.918 2.454 0.168) 3.119 14.409 ( -1.636 3.412 0.501) 3.816 14.839 ( -4.117 15.775 -2.436) 16.484 15.317 ( -2.700 4.575 0.448) 5.331 15.478 ( -3.334 3.659 -4.292) 6.552 15.637 ( -4.204 -2.767 -0.696) 5.081 15.723 ( -1.997 1.971 0.471) 2.845 16.546 ( -1.109 -0.150 -1.038) 1.526 16.610 ( -2.430 1.679 -1.395) 3.267 16.662 ( -4.116 0.814 0.663) 4.248 16.792 ( -2.174 -2.926 -2.613) 4.485 19.293 ( 5.182 -4.230 -3.319) 7.467 19.408 ( 4.263 -1.937 1.543) 4.930 20.090 ( -0.167 -0.241 -0.586) 0.656 20.285 ( -2.465 4.925 -2.103) 5.895 21.344 ( -1.629 -5.053 7.631) 9.296 21.422 ( 3.213 -1.215 -6.961) 7.762 23.159 ( 0.092 3.992 4.851) 6.284 23.356 ( -0.522 -1.967 -5.139) 5.527 26.656 ( 0.948 -1.136 -0.029) 1.480 26.730 ( -0.827 1.096 0.044) 1.374 29.110 ( 1.758 5.459 -1.154) 5.850 29.298 ( -6.465 6.860 0.951) 9.474 29.883 ( -22.582 3.160 8.412) 24.304 30.619 ( 8.892 4.265 -3.909) 10.608 30.682 ( -2.668 5.974 -19.661) 20.721 30.855 ( -2.002 -1.253 -5.051) 5.576 31.005 ( 4.349 1.902 0.224) 4.751 31.380 ( -13.537 -1.690 -16.443) 21.365 32.178 ( -2.049 1.149 0.462) 2.394 32.198 ( -2.556 0.812 -1.725) 3.189 32.462 ( -4.543 -0.993 0.283) 4.659 32.568 ( -1.878 5.100 -1.732) 5.704 33.637 ( -2.498 0.477 8.067) 8.458 33.927 ( 3.490 -1.355 -8.002) 8.834 35.542 ( 2.854 -0.005 3.183) 4.275 35.753 ( 1.944 0.789 5.583) 5.964 35.783 ( -0.682 0.844 -2.168) 2.425 36.300 ( -5.023 1.608 3.469) 6.313 36.340 ( -1.552 2.243 4.668) 5.407 36.548 ( 1.127 -0.537 -7.079) 7.189 38.047 ( 14.908 -12.241 30.027) 35.689 38.649 ( 14.547 -9.256 -8.689) 19.308 ======================= Grid point 143 (65/93) ======================= q-point: (-0.12 0.00 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -15.522 7.248 7.463) 18.686 0.873 ( -4.328 -0.216 13.267) 13.956 1.116 ( -8.052 3.396 10.801) 13.893 1.151 ( -4.979 -0.607 9.527) 10.767 1.544 ( 1.670 12.310 25.428) 28.300 1.766 ( -11.583 3.603 -17.679) 21.441 2.037 ( -6.733 -2.526 -10.559) 12.775 2.244 ( 1.666 1.160 0.051) 2.030 2.269 ( -1.009 2.147 -0.665) 2.464 2.506 ( -9.308 4.028 3.222) 10.642 2.572 ( -5.116 1.924 6.417) 8.429 2.734 ( -0.173 -0.394 -14.794) 14.800 2.937 ( -4.795 -0.483 8.275) 9.576 3.101 ( 4.513 -1.238 -6.518) 8.024 3.424 ( -3.059 -3.281 -0.651) 4.533 3.528 ( -4.382 -8.388 -7.057) 11.805 3.587 ( -1.440 4.295 -0.654) 4.577 3.702 ( -2.598 9.791 -4.970) 11.283 3.872 ( 11.159 0.206 5.721) 12.542 4.353 ( -7.476 1.213 -0.007) 7.574 4.405 ( -1.280 -5.555 10.410) 11.869 4.593 ( -0.639 -0.318 -1.079) 1.293 4.617 ( 2.973 -2.726 0.455) 4.059 4.671 ( 0.235 1.605 -2.506) 2.985 4.801 ( 8.278 -0.742 -11.318) 14.042 5.024 ( 0.677 -2.625 -4.723) 5.446 5.170 ( 4.489 0.305 2.495) 5.145 5.201 ( 3.586 -1.043 -0.138) 3.737 5.216 ( 6.861 3.530 1.064) 7.788 5.237 ( 1.708 2.015 -0.098) 2.643 5.635 ( 16.318 -9.539 3.783) 19.276 5.809 ( 7.677 -2.477 4.261) 9.123 6.364 ( 2.218 -0.969 3.769) 4.479 6.424 ( 8.568 -3.615 -0.493) 9.313 6.673 ( 4.213 -9.817 3.075) 11.117 6.807 ( 1.306 2.372 -0.650) 2.785 7.016 ( 11.089 3.947 -2.904) 12.123 7.079 ( -0.241 2.454 4.556) 5.181 7.479 ( -8.099 -2.262 2.315) 8.722 7.497 ( -2.754 -1.875 -2.169) 3.976 8.585 ( 2.117 -0.345 -0.913) 2.331 8.638 ( -2.684 0.264 0.051) 2.697 9.009 ( -9.302 -2.140 1.486) 9.659 9.100 ( -8.540 2.317 0.481) 8.861 9.149 ( -1.655 -0.417 0.971) 1.963 9.243 ( -0.857 -0.476 -1.373) 1.687 9.569 ( 4.121 -1.801 -0.363) 4.512 9.690 ( 1.560 1.382 -2.696) 3.407 9.800 ( -0.926 -3.792 2.044) 4.406 9.958 ( -3.676 0.500 -0.942) 3.828 10.276 ( 7.761 1.221 3.847) 8.747 10.420 ( 8.945 3.078 -3.205) 9.989 11.105 ( -6.380 -2.087 0.230) 6.716 11.143 ( -5.379 1.085 -0.511) 5.511 11.562 ( -4.375 0.244 -1.287) 4.567 11.593 ( -4.513 -1.789 0.545) 4.885 13.109 ( 5.112 -0.226 -0.224) 5.122 13.166 ( 2.393 0.917 -0.636) 2.640 13.187 ( 1.039 -2.238 -0.650) 2.552 13.243 ( -1.243 2.358 -0.041) 2.666 13.643 ( 3.657 -2.604 0.854) 4.570 13.731 ( -9.332 -5.886 -0.544) 11.046 13.761 ( -1.856 -2.591 -0.564) 3.237 13.993 ( 4.119 -4.942 0.254) 6.439 14.067 ( -15.605 1.108 -3.634) 16.061 14.159 ( 6.955 10.967 0.059) 12.987 14.370 ( -2.237 3.484 1.324) 4.347 14.561 ( -4.576 22.190 -4.937) 23.189 15.276 ( -0.623 0.122 -0.297) 0.700 15.330 ( -4.042 4.899 -4.362) 7.705 15.578 ( -4.669 -1.329 -0.334) 4.866 15.631 ( -5.790 2.167 -0.320) 6.191 16.502 ( -1.618 -0.131 -2.360) 2.865 16.578 ( -3.318 0.793 1.130) 3.593 16.602 ( 0.652 0.822 0.726) 1.276 16.740 ( -4.182 -0.507 -1.140) 4.364 19.417 ( 7.103 -3.438 -1.962) 8.132 19.488 ( 1.522 -1.944 1.508) 2.893 20.090 ( 0.430 -0.427 -0.955) 1.131 20.169 ( -4.186 4.693 -1.483) 6.461 21.403 ( -2.540 -4.601 4.348) 6.821 21.450 ( 3.678 -1.148 -6.296) 7.381 23.153 ( -1.097 2.123 6.715) 7.128 23.341 ( 0.811 -1.422 -6.375) 6.582 26.681 ( 0.905 -0.631 -0.006) 1.104 26.708 ( -0.714 0.695 0.016) 0.996 29.064 ( 2.982 10.704 -1.172) 11.173 29.143 ( -4.491 7.690 0.420) 8.915 29.568 ( -17.351 1.436 4.576) 18.001 29.976 ( -37.922 9.545 -29.044) 48.711 30.732 ( 3.951 0.368 1.797) 4.356 30.827 ( 0.020 0.285 -1.056) 1.094 31.065 ( 4.198 1.164 1.405) 4.578 31.208 ( -0.461 1.821 -3.454) 3.931 32.139 ( -1.512 0.457 -0.272) 1.603 32.147 ( -2.337 0.503 0.051) 2.391 32.443 ( -0.626 -0.681 2.908) 3.051 32.505 ( -0.797 2.353 -0.701) 2.582 33.662 ( -1.656 -0.189 9.900) 10.039 33.931 ( 2.665 -0.695 -9.282) 9.682 35.597 ( 1.310 0.003 3.430) 3.672 35.745 ( -0.861 0.547 -3.042) 3.208 35.866 ( 7.835 0.646 5.998) 9.888 36.200 ( -5.449 1.996 -0.838) 5.863 36.343 ( -2.346 0.349 8.191) 8.527 36.530 ( 1.727 -0.353 -7.317) 7.527 38.677 ( 20.759 -16.144 17.484) 31.579 38.909 ( 12.385 -6.988 -5.733) 15.333 ======================= Grid point 145 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 5.431 -0.000 -2.151) 5.841 1.043 ( 4.971 -0.000 -1.384) 5.160 1.370 ( 1.477 -0.000 -13.321) 13.403 1.622 ( 20.937 -0.000 -8.978) 22.780 1.715 ( 9.936 -0.000 13.406) 16.686 1.748 ( 7.295 -0.000 -7.598) 10.533 1.978 ( -1.000 0.000 -5.462) 5.552 2.288 ( 1.870 -0.000 -1.561) 2.436 2.298 ( 8.619 -0.000 0.338) 8.625 2.526 ( 3.090 -0.000 14.982) 15.297 2.716 ( 14.060 -0.000 -1.057) 14.100 2.758 ( 3.833 -0.000 -4.049) 5.575 3.078 ( 7.642 -0.000 1.055) 7.714 3.213 ( 6.232 -0.000 -13.359) 14.741 3.293 ( -5.726 0.000 14.430) 15.525 3.507 ( 2.027 -0.000 8.836) 9.065 3.525 ( 2.917 -0.000 -2.833) 4.066 3.648 ( -6.756 0.000 -6.463) 9.349 4.053 ( 10.881 -0.000 -7.187) 13.040 4.200 ( -10.661 0.000 13.315) 17.057 4.380 ( -15.227 0.000 13.405) 20.287 4.473 ( -12.065 0.000 -0.982) 12.105 4.617 ( -1.783 0.000 -4.962) 5.273 4.638 ( 0.021 -0.000 1.820) 1.820 4.651 ( 3.147 -0.000 -1.937) 3.695 4.920 ( -7.403 0.000 1.235) 7.505 5.034 ( -10.654 0.000 1.988) 10.838 5.079 ( 0.543 -0.000 6.046) 6.071 5.237 ( -10.279 0.000 -7.444) 12.691 5.248 ( 0.070 -0.000 -8.273) 8.273 5.514 ( -3.650 0.000 0.707) 3.718 5.718 ( -8.857 0.000 -3.974) 9.707 6.339 ( -3.187 0.000 0.383) 3.210 6.361 ( -5.691 0.000 -4.536) 7.278 6.645 ( -13.621 0.000 1.533) 13.707 6.672 ( -6.175 0.000 0.349) 6.185 6.913 ( 3.361 -0.000 -1.134) 3.547 7.148 ( 1.617 -0.000 -3.013) 3.420 7.505 ( 1.426 -0.000 2.323) 2.726 7.615 ( 4.515 -0.000 1.002) 4.625 8.589 ( 1.924 -0.000 -2.498) 3.154 8.680 ( 2.797 -0.000 0.231) 2.806 9.126 ( -1.972 0.000 2.390) 3.098 9.136 ( -2.048 0.000 -3.954) 4.452 9.313 ( 12.437 -0.000 -0.506) 12.448 9.325 ( 12.708 -0.000 -0.290) 12.712 9.521 ( -2.025 0.000 -0.417) 2.068 9.583 ( -4.665 0.000 1.844) 5.016 9.900 ( 5.453 -0.000 -1.646) 5.696 9.954 ( 0.344 -0.000 3.934) 3.949 10.200 ( -10.175 0.000 2.356) 10.444 10.200 ( -7.310 0.000 -4.540) 8.605 11.194 ( 5.551 -0.000 0.943) 5.630 11.243 ( 4.532 -0.000 -0.505) 4.560 11.621 ( 5.239 -0.000 1.398) 5.423 11.678 ( 4.633 -0.000 0.802) 4.702 13.025 ( -5.934 0.000 -0.440) 5.950 13.094 ( -6.507 0.000 0.332) 6.515 13.184 ( -0.340 0.000 0.534) 0.633 13.231 ( 1.355 -0.000 0.098) 1.358 13.608 ( -4.449 0.000 -0.981) 4.556 13.728 ( -3.054 0.000 0.808) 3.160 13.919 ( -7.442 0.000 -0.599) 7.466 13.948 ( -5.717 0.000 -0.252) 5.723 14.091 ( 21.884 -0.000 -1.510) 21.936 14.267 ( 10.351 -0.000 2.462) 10.639 14.433 ( 5.660 -0.000 0.168) 5.662 14.451 ( 1.670 -0.000 1.595) 2.309 15.303 ( 4.251 -0.000 -1.264) 4.435 15.343 ( 6.364 -0.000 4.103) 7.572 15.642 ( 3.122 -0.000 1.388) 3.416 15.724 ( 5.559 -0.000 -1.246) 5.697 16.513 ( 3.431 -0.000 2.134) 4.041 16.590 ( -0.563 0.000 -2.127) 2.200 16.696 ( 5.954 -0.000 -3.250) 6.783 16.760 ( 1.127 -0.000 2.614) 2.847 19.289 ( -6.837 0.000 1.616) 7.025 19.456 ( -5.427 0.000 -1.064) 5.530 20.044 ( 0.362 -0.000 2.624) 2.649 20.237 ( 4.776 -0.000 -0.906) 4.861 21.281 ( -4.960 0.000 8.166) 9.555 21.508 ( 1.289 -0.000 -3.915) 4.122 23.226 ( -1.078 0.000 8.279) 8.349 23.254 ( 0.241 -0.000 -7.562) 7.566 26.676 ( -0.416 0.000 -0.260) 0.491 26.709 ( 0.329 -0.000 0.256) 0.417 29.059 ( 3.718 -0.000 -1.318) 3.944 29.219 ( 10.288 -0.000 1.407) 10.383 30.004 ( 17.649 -0.000 21.720) 27.987 30.037 ( 26.502 -0.000 -11.977) 29.082 30.681 ( -5.917 0.000 -2.582) 6.456 30.807 ( 0.843 -0.000 2.464) 2.604 31.016 ( -3.573 0.000 -1.560) 3.898 31.132 ( 0.781 -0.000 7.219) 7.261 32.170 ( 2.778 -0.000 0.017) 2.778 32.173 ( 0.917 -0.000 0.327) 0.973 32.520 ( 2.894 -0.000 -2.865) 4.072 32.572 ( 5.263 -0.000 -5.062) 7.302 33.738 ( -3.576 0.000 10.597) 11.184 33.825 ( 0.917 -0.000 -9.456) 9.500 35.620 ( -2.736 0.000 -4.398) 5.180 35.722 ( 1.906 -0.000 3.007) 3.560 35.873 ( -2.604 0.000 -7.100) 7.562 36.289 ( 6.345 -0.000 -0.243) 6.349 36.385 ( -1.745 0.000 8.234) 8.417 36.499 ( 2.579 -0.000 -7.789) 8.205 38.519 ( -23.413 0.000 14.528) 27.554 38.646 ( -18.149 0.000 -15.102) 23.610 ======================= Grid point 146 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 5.042 -0.186 -0.459) 5.066 1.063 ( 0.723 2.194 -1.191) 2.599 1.361 ( 9.334 4.581 -8.339) 13.328 1.665 ( -1.324 -7.642 -16.989) 18.675 1.768 ( 7.533 7.565 1.956) 10.853 1.970 ( 10.292 -5.479 -0.449) 11.668 2.202 ( 8.763 -9.620 7.296) 14.918 2.311 ( 5.733 4.868 -0.152) 7.523 2.332 ( -1.027 -0.471 -3.218) 3.410 2.734 ( 4.172 2.669 7.450) 8.946 2.752 ( 4.457 -1.029 4.971) 6.755 2.938 ( 12.361 -1.584 -4.339) 13.196 3.115 ( 0.285 8.394 -4.586) 9.569 3.218 ( -6.124 1.178 7.770) 9.963 3.315 ( 4.359 -5.329 -2.874) 7.461 3.516 ( -3.573 -1.229 -7.233) 8.161 3.558 ( 3.951 -3.325 -7.228) 8.883 3.610 ( 1.585 -1.112 8.557) 8.774 4.017 ( -14.027 6.157 10.697) 18.684 4.101 ( -13.019 0.462 8.488) 15.548 4.268 ( 1.852 2.580 -0.564) 3.226 4.340 ( 0.296 -3.711 -2.954) 4.752 4.582 ( -1.714 -1.221 -1.972) 2.884 4.640 ( -3.955 1.784 -1.737) 4.673 4.669 ( -2.639 0.669 0.280) 2.737 4.760 ( -10.313 -1.993 0.449) 10.513 4.864 ( -7.814 0.001 5.220) 9.397 5.056 ( -3.665 0.205 -2.388) 4.379 5.158 ( 5.104 -2.257 1.199) 5.708 5.237 ( 3.528 0.834 -6.894) 7.789 5.536 ( -2.475 1.949 -0.742) 3.236 5.584 ( -1.086 -2.851 -0.769) 3.147 6.259 ( -3.100 1.270 -3.411) 4.781 6.271 ( -2.874 1.897 -3.145) 4.664 6.474 ( -7.437 1.526 4.288) 8.719 6.635 ( -2.043 -1.925 3.040) 4.138 6.974 ( 4.623 0.175 -0.921) 4.718 7.155 ( 1.742 0.423 -3.798) 4.200 7.498 ( -2.168 3.148 2.013) 4.320 7.651 ( -0.914 -1.075 1.129) 1.807 8.611 ( 3.103 0.482 -3.434) 4.653 8.745 ( 3.623 -1.207 1.276) 4.027 9.010 ( -5.154 5.402 -1.026) 7.536 9.115 ( -3.113 -3.303 -0.155) 4.541 9.446 ( 1.316 0.603 -0.904) 1.706 9.474 ( 5.189 0.604 -0.105) 5.225 9.525 ( 3.012 -0.287 -0.933) 3.167 9.570 ( 2.853 -2.453 2.232) 4.374 9.920 ( -6.128 0.495 -0.838) 6.205 9.947 ( -0.113 1.488 1.065) 1.833 10.062 ( -2.492 4.003 -0.749) 4.774 10.210 ( 5.184 -7.179 0.467) 8.868 11.262 ( 2.583 -0.124 0.270) 2.600 11.296 ( 2.828 0.562 0.267) 2.896 11.686 ( 1.544 0.305 0.864) 1.795 11.757 ( 4.519 0.502 0.996) 4.654 12.864 ( -10.563 7.353 0.022) 12.870 12.984 ( -6.591 -3.540 -0.122) 7.483 13.189 ( 0.084 -1.358 -0.117) 1.365 13.283 ( 1.330 -3.761 0.316) 4.002 13.516 ( -2.521 5.112 0.182) 5.703 13.677 ( -4.690 -4.350 -0.967) 6.470 13.869 ( -1.824 -2.094 0.538) 2.829 13.905 ( -2.173 -3.504 -0.583) 4.164 14.260 ( 9.336 12.388 -0.140) 15.513 14.310 ( 5.490 4.896 -0.740) 7.393 14.425 ( 0.713 4.007 0.726) 4.135 14.773 ( 11.174 -18.979 0.956) 22.045 15.382 ( 6.554 -0.170 -1.937) 6.837 15.477 ( 5.193 -1.910 3.089) 6.337 15.677 ( 0.510 0.902 2.013) 2.264 15.767 ( 1.535 0.704 -2.087) 2.684 16.569 ( 1.936 0.743 0.038) 2.074 16.605 ( 1.908 -2.412 0.817) 3.182 16.754 ( 3.260 0.138 -2.657) 4.208 16.768 ( -1.605 0.718 2.577) 3.120 19.213 ( -3.125 1.914 2.803) 4.614 19.351 ( -5.996 -0.189 -1.747) 6.248 20.074 ( 1.392 0.647 2.647) 3.060 20.312 ( 4.048 -1.800 -1.193) 4.588 21.256 ( -4.326 0.433 8.170) 9.255 21.485 ( 0.525 1.420 -5.209) 5.424 23.200 ( -0.195 1.644 -2.463) 2.968 23.284 ( -0.229 -3.430 3.431) 4.857 26.661 ( -0.258 1.538 -0.207) 1.573 26.725 ( 0.306 -1.493 0.225) 1.541 29.120 ( 4.965 1.436 -0.173) 5.171 29.432 ( 13.681 -1.039 0.053) 13.720 30.246 ( -3.311 -3.038 14.847) 15.512 30.302 ( 5.635 -7.973 -9.045) 13.309 30.618 ( 6.340 2.253 -4.225) 7.945 30.843 ( 0.964 0.584 2.004) 2.299 30.973 ( -0.351 0.377 -1.479) 1.566 31.315 ( 9.677 0.303 19.138) 21.448 32.186 ( 0.149 -0.353 1.216) 1.275 32.216 ( 2.447 -0.371 0.310) 2.495 32.551 ( 3.384 0.999 -1.675) 3.906 32.620 ( 3.967 -2.322 -6.456) 7.925 33.740 ( -3.879 0.066 9.378) 10.149 33.790 ( 1.720 -0.303 -8.095) 8.282 35.545 ( -2.948 -0.089 -4.009) 4.977 35.767 ( 1.645 -0.261 1.800) 2.452 35.809 ( -0.953 -1.172 -7.159) 7.317 36.369 ( 1.096 0.050 4.460) 4.593 36.409 ( 2.268 1.883 2.125) 3.634 36.504 ( 2.970 -1.845 -6.700) 7.558 38.182 ( -17.798 10.270 -0.580) 20.556 38.314 ( -14.649 -3.154 -3.279) 15.339 ======================= Grid point 147 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.475 3.708 -2.277) 4.377 1.088 ( 2.306 0.374 0.312) 2.356 1.536 ( 17.137 -0.627 4.217) 17.660 1.672 ( -0.188 -4.028 -1.658) 4.360 1.810 ( 5.028 2.527 -8.043) 9.816 2.022 ( 0.035 6.179 -3.259) 6.985 2.251 ( -4.661 2.531 -3.820) 6.536 2.335 ( 4.730 8.449 1.194) 9.756 2.470 ( 5.427 -12.352 2.643) 13.748 2.700 ( -4.207 -0.971 4.031) 5.907 2.888 ( -0.581 3.551 2.577) 4.426 2.952 ( -5.944 2.244 0.344) 6.363 3.078 ( 1.576 2.080 1.002) 2.795 3.127 ( -3.607 -3.650 1.861) 5.459 3.389 ( 2.808 3.474 -1.446) 4.695 3.504 ( 6.423 -3.124 -8.364) 10.999 3.620 ( 4.713 -1.193 -5.025) 6.992 3.671 ( -8.534 -7.916 6.416) 13.291 3.830 ( -0.931 2.467 0.650) 2.716 3.994 ( -6.901 -1.432 3.247) 7.760 4.141 ( -10.434 2.982 3.313) 11.346 4.423 ( -3.812 -0.016 -1.733) 4.188 4.483 ( -4.051 -0.893 0.094) 4.149 4.589 ( 4.863 2.165 -1.696) 5.587 4.610 ( 0.555 -0.646 -1.556) 1.774 4.748 ( 5.675 -3.597 -0.900) 6.779 4.924 ( 1.469 -1.888 10.346) 10.619 5.055 ( 1.859 -0.012 0.985) 2.104 5.228 ( 2.031 1.373 -2.172) 3.275 5.271 ( 5.853 -1.038 -3.393) 6.845 5.409 ( -4.730 2.725 -4.004) 6.769 5.658 ( 0.914 -3.428 2.725) 4.473 6.182 ( -2.662 2.512 -3.027) 4.750 6.207 ( 0.861 1.484 -2.610) 3.123 6.417 ( -3.877 -1.096 4.554) 6.081 6.671 ( 3.353 0.893 2.631) 4.355 7.033 ( 3.450 1.001 0.513) 3.629 7.138 ( 0.337 1.216 -4.756) 4.921 7.421 ( -4.032 3.033 1.888) 5.387 7.637 ( -4.462 -3.714 0.651) 5.842 8.623 ( 1.565 1.130 -2.903) 3.486 8.796 ( 0.952 -0.073 0.538) 1.096 8.917 ( -0.575 1.353 -1.753) 2.288 9.091 ( -3.426 -2.214 0.267) 4.088 9.393 ( -5.815 -1.770 -1.071) 6.172 9.524 ( 2.310 -0.139 -0.500) 2.367 9.564 ( 0.451 -1.461 -0.450) 1.594 9.633 ( -4.651 -2.986 4.229) 6.960 9.826 ( -1.480 1.462 -1.494) 2.561 9.891 ( -2.851 0.549 2.093) 3.579 10.086 ( 11.574 7.377 -1.902) 13.856 10.372 ( 4.917 -4.108 0.519) 6.428 11.280 ( -1.473 -1.001 0.096) 1.784 11.319 ( -0.350 0.193 0.344) 0.527 11.678 ( -2.497 -0.566 0.020) 2.560 11.804 ( 1.424 1.139 0.738) 1.967 12.650 ( -4.941 5.777 -0.039) 7.602 12.946 ( -3.762 -5.289 -0.226) 6.495 13.206 ( -0.696 -3.612 -0.290) 3.690 13.330 ( 0.030 -2.836 -0.022) 2.836 13.452 ( 0.108 4.704 0.600) 4.743 13.656 ( -3.282 -4.965 -0.844) 6.011 13.837 ( -2.963 -0.700 -0.703) 3.124 13.949 ( 1.311 -3.114 0.786) 3.469 14.262 ( 4.014 5.290 0.091) 6.641 14.339 ( 3.625 6.412 -0.203) 7.368 14.426 ( 8.665 9.289 0.626) 12.719 15.051 ( 4.467 -10.060 0.073) 11.008 15.472 ( 5.158 -0.602 -1.626) 5.441 15.562 ( 2.442 -0.427 0.529) 2.535 15.668 ( -1.594 1.610 2.024) 3.038 15.753 ( 0.159 1.080 -1.140) 1.578 16.602 ( 2.209 -1.612 -0.588) 2.797 16.647 ( -0.174 -1.285 0.274) 1.326 16.725 ( -3.260 1.331 3.017) 4.637 16.772 ( 0.730 0.116 -2.676) 2.776 19.179 ( -1.007 1.695 1.346) 2.387 19.275 ( -2.979 -1.720 -1.008) 3.585 20.101 ( 1.491 1.792 2.451) 3.383 20.376 ( 2.998 -1.281 -1.803) 3.726 21.238 ( -4.047 -0.276 7.749) 8.747 21.444 ( 0.531 1.050 -6.316) 6.424 23.180 ( 0.176 -0.484 -2.328) 2.384 23.326 ( -1.094 -2.545 3.300) 4.308 26.642 ( 0.074 1.625 -0.080) 1.628 26.744 ( 0.048 -1.452 0.104) 1.456 29.176 ( 5.116 4.230 0.917) 6.701 29.614 ( 10.283 5.285 -1.467) 11.654 30.169 ( -14.741 -7.061 6.130) 17.457 30.383 ( -3.202 -13.269 -0.280) 13.653 30.747 ( 13.278 2.999 -7.468) 15.527 30.851 ( 0.250 0.864 0.818) 1.216 30.982 ( 4.924 2.009 -2.993) 6.103 31.513 ( 3.153 4.805 14.845) 15.919 32.204 ( 0.067 -1.100 1.535) 1.889 32.248 ( 0.735 0.117 0.672) 1.003 32.563 ( 0.535 1.759 -2.482) 3.089 32.681 ( 3.670 -2.838 -1.676) 4.932 33.725 ( -4.839 -0.036 7.314) 8.770 33.794 ( 3.504 -1.568 -6.419) 7.479 35.494 ( -0.996 -0.048 -1.846) 2.098 35.767 ( -0.912 -0.912 -4.522) 4.702 35.800 ( 1.001 -0.446 0.274) 1.130 36.371 ( -2.940 1.925 7.127) 7.946 36.444 ( 3.498 1.497 -2.513) 4.560 36.540 ( 3.015 -2.036 -5.039) 6.215 37.855 ( -9.612 8.858 -0.706) 13.090 38.182 ( -5.889 -5.616 -0.793) 8.176 ======================= Grid point 148 (69/93) ======================= q-point: (-0.50 0.12 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.082 2.281 -2.826) 4.763 1.097 ( 0.243 1.272 -0.855) 1.552 1.613 ( -7.511 8.960 -13.559) 17.903 1.696 ( -0.139 5.396 2.900) 6.127 1.875 ( 7.284 0.876 6.335) 9.693 1.978 ( 8.398 7.357 1.788) 11.307 2.127 ( -3.383 2.087 2.331) 4.608 2.289 ( 0.162 9.400 2.068) 9.626 2.612 ( -3.648 -8.779 0.586) 9.525 2.661 ( -8.051 -3.588 2.419) 9.140 2.765 ( -5.879 0.675 -5.118) 7.824 2.863 ( -3.945 -0.369 0.453) 3.988 3.121 ( 0.598 -8.268 2.930) 8.793 3.157 ( 0.803 -0.482 -0.708) 1.175 3.309 ( -5.183 8.910 6.196) 12.027 3.523 ( 0.799 7.251 -2.950) 7.869 3.602 ( 0.785 0.908 -5.710) 5.834 3.719 ( 1.611 -5.381 0.522) 5.641 3.933 ( 3.336 -4.112 -0.258) 5.301 3.943 ( 1.274 -6.497 -3.095) 7.309 4.057 ( -3.640 -11.458 -1.194) 12.082 4.300 ( -4.259 1.675 2.145) 5.054 4.534 ( 4.403 -0.996 3.122) 5.489 4.579 ( -1.166 0.697 2.882) 3.185 4.766 ( 13.252 0.201 -3.593) 13.732 4.859 ( 5.738 -0.123 -2.116) 6.117 4.998 ( -0.519 1.733 5.725) 6.004 5.061 ( 1.456 1.241 0.715) 2.043 5.236 ( -1.863 4.130 -6.877) 8.235 5.328 ( 2.810 0.739 -1.417) 3.233 5.338 ( 3.602 -0.992 4.644) 5.960 5.688 ( -1.833 -1.769 0.378) 2.575 6.125 ( -0.451 -0.235 -1.305) 1.401 6.227 ( 4.302 0.632 -1.452) 4.584 6.411 ( -1.873 -1.554 3.349) 4.140 6.756 ( 7.920 2.123 0.974) 8.257 7.057 ( -0.197 2.254 -0.596) 2.340 7.092 ( 0.596 1.891 -2.314) 3.048 7.368 ( -2.328 -1.149 1.586) 3.042 7.588 ( -7.405 -4.727 0.460) 8.797 8.604 ( -0.390 1.280 -1.635) 2.113 8.817 ( -0.338 -0.551 -2.009) 2.110 8.909 ( 3.022 -0.561 -1.177) 3.292 9.058 ( -3.698 -3.013 -0.335) 4.782 9.308 ( -6.451 -2.911 -1.047) 7.154 9.487 ( -10.317 -1.172 1.351) 10.471 9.530 ( -4.267 -0.462 0.418) 4.313 9.618 ( -3.760 -7.660 2.890) 9.009 9.824 ( 4.990 6.594 -0.587) 8.290 9.919 ( 6.263 2.225 1.610) 6.839 10.217 ( 13.118 5.517 -1.157) 14.278 10.415 ( -1.027 1.378 -0.379) 1.760 11.230 ( -6.077 -1.585 0.364) 6.291 11.270 ( -5.848 -0.480 -0.180) 5.870 11.634 ( -4.324 -2.237 -0.359) 4.882 11.785 ( -2.713 1.398 0.213) 3.059 12.655 ( 8.207 -1.333 -0.254) 8.318 12.963 ( -0.273 -5.047 -0.387) 5.069 13.237 ( -0.532 -4.584 0.309) 4.625 13.332 ( -1.127 0.278 -0.536) 1.279 13.432 ( 1.230 2.253 0.612) 2.639 13.652 ( -2.936 -4.471 0.013) 5.349 13.794 ( -1.343 1.494 -0.482) 2.065 13.973 ( -1.036 -0.279 -0.040) 1.074 14.288 ( 5.447 6.215 0.789) 8.302 14.337 ( 3.220 3.447 0.320) 4.727 14.503 ( 11.334 9.898 0.038) 15.048 15.102 ( -4.021 -1.011 -0.041) 4.147 15.521 ( 1.352 0.374 -1.419) 1.995 15.574 ( 0.417 3.241 0.814) 3.368 15.627 ( -2.054 0.612 -0.060) 2.144 15.756 ( 1.560 1.019 0.485) 1.925 16.611 ( -2.378 0.964 -0.949) 2.736 16.660 ( 1.119 -0.969 0.811) 1.688 16.700 ( -1.645 -1.530 1.564) 2.737 16.745 ( -1.896 0.253 -2.115) 2.851 19.167 ( 0.562 -1.278 -2.132) 2.548 19.282 ( 0.776 -2.629 0.941) 2.898 20.116 ( 1.344 2.599 2.027) 3.559 20.403 ( 1.791 1.041 -2.494) 3.242 21.233 ( -3.814 -1.942 7.485) 8.622 21.409 ( 0.920 -0.146 -6.871) 6.933 23.182 ( 0.574 -1.314 -2.094) 2.538 23.335 ( -2.767 -1.950 2.446) 4.177 26.634 ( 0.659 0.939 0.019) 1.147 26.752 ( -0.478 -0.680 0.053) 0.833 29.211 ( 5.184 6.288 1.037) 8.216 29.599 ( -0.680 9.602 -1.221) 9.703 30.065 ( -14.975 -9.051 7.145) 18.900 30.483 ( 3.106 -9.134 -2.191) 9.893 30.831 ( 5.381 0.865 -7.022) 8.889 30.849 ( 0.297 0.746 0.021) 0.803 31.050 ( 11.369 6.117 -6.466) 14.439 31.524 ( -2.326 4.738 4.327) 6.825 32.220 ( -0.326 -1.073 -0.414) 1.196 32.245 ( -0.833 1.160 1.484) 2.060 32.507 ( -3.500 -0.292 -3.956) 5.291 32.731 ( 1.286 1.939 0.548) 2.390 33.680 ( -5.197 0.225 5.173) 7.336 33.842 ( 3.893 -2.755 -5.515) 7.291 35.494 ( 1.342 0.168 1.254) 1.844 35.745 ( -0.625 0.131 1.213) 1.371 35.812 ( 0.402 -0.051 -1.065) 1.139 36.344 ( -3.737 1.326 6.820) 7.889 36.452 ( 1.943 2.486 -2.422) 3.978 36.556 ( 1.244 -0.569 -5.607) 5.771 37.717 ( -3.436 3.377 10.234) 11.312 38.225 ( 3.563 -10.225 -5.252) 12.035 ======================= Grid point 149 (70/93) ======================= q-point: (-0.38 0.12 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 3.099 4.029 -2.079) 5.492 1.077 ( 0.118 1.271 -0.697) 1.454 1.245 ( -10.013 18.761 -1.358) 21.310 1.694 ( -1.624 2.833 -6.019) 6.848 1.733 ( -11.048 9.153 8.851) 16.858 2.006 ( 5.794 13.865 5.520) 16.009 2.214 ( -2.387 3.646 0.900) 4.450 2.251 ( 5.421 -1.540 4.817) 7.414 2.470 ( -12.516 -0.366 -10.319) 16.225 2.566 ( -8.208 -2.578 3.543) 9.304 2.664 ( -4.522 1.863 -2.602) 5.540 2.851 ( -2.037 -2.983 1.072) 3.768 3.109 ( -8.006 0.629 4.077) 9.006 3.184 ( 3.299 12.809 1.819) 13.351 3.278 ( -0.987 -11.973 -1.131) 12.066 3.431 ( -0.075 6.542 0.267) 6.548 3.627 ( 7.589 -1.432 -7.288) 10.619 3.741 ( -3.805 -2.136 5.689) 7.170 3.979 ( -1.081 0.616 -5.201) 5.348 4.033 ( 3.468 -9.322 6.049) 11.641 4.243 ( 5.305 -13.826 -7.534) 16.615 4.365 ( 10.704 -7.523 1.918) 13.223 4.558 ( -3.749 -0.455 5.254) 6.470 4.647 ( 3.478 -1.897 2.467) 4.667 4.838 ( -0.816 4.289 -7.298) 8.504 4.914 ( 5.238 0.063 -3.490) 6.295 5.046 ( 1.936 2.088 -1.904) 3.425 5.055 ( 5.096 -1.973 3.913) 6.721 5.206 ( 5.501 3.117 1.788) 6.571 5.262 ( 0.054 7.451 0.022) 7.451 5.514 ( 5.845 -6.127 2.170) 8.742 5.630 ( -4.972 1.272 -1.360) 5.309 6.174 ( 3.824 -4.212 0.552) 5.716 6.299 ( 5.172 -0.233 -0.350) 5.189 6.435 ( 0.755 -1.766 2.893) 3.473 6.880 ( 8.491 2.496 -1.126) 8.922 6.981 ( -1.690 1.833 -2.983) 3.888 7.107 ( 2.999 3.013 2.229) 4.801 7.388 ( -0.151 -4.183 1.037) 4.313 7.506 ( -9.132 -5.371 0.302) 10.599 8.576 ( -0.476 0.602 -1.172) 1.401 8.738 ( -5.539 1.467 -0.655) 5.767 9.009 ( -0.105 -5.678 -5.598) 7.974 9.048 ( 3.893 -0.811 3.558) 5.336 9.236 ( -5.309 -2.559 -1.215) 6.018 9.333 ( -10.458 -0.990 1.666) 10.636 9.454 ( -6.802 -3.156 0.823) 7.543 9.649 ( -4.016 -7.638 1.190) 8.711 9.826 ( 5.728 9.375 -0.503) 10.998 10.023 ( 6.128 2.577 2.002) 6.943 10.304 ( 0.457 7.096 3.074) 7.747 10.396 ( 8.976 2.267 -4.130) 10.137 11.154 ( -6.895 -3.086 0.672) 7.584 11.165 ( -7.056 -2.109 -0.774) 7.405 11.584 ( -5.085 -3.183 -0.233) 6.003 11.697 ( -6.141 1.279 -0.841) 6.329 12.871 ( 12.382 -5.446 -0.417) 13.533 13.028 ( 3.453 -3.219 -0.464) 4.744 13.268 ( -1.205 -2.461 1.152) 2.973 13.288 ( -2.289 1.737 -0.960) 3.030 13.466 ( 3.905 -1.217 0.136) 4.092 13.645 ( -3.018 -3.661 0.300) 4.755 13.767 ( 0.654 2.835 0.346) 2.930 13.945 ( -0.340 1.122 -0.727) 1.380 14.285 ( 0.115 6.182 0.353) 6.193 14.376 ( 3.707 3.476 1.070) 5.193 14.552 ( 7.073 11.237 0.170) 13.279 15.008 ( -3.981 3.180 -0.371) 5.108 15.455 ( -3.061 7.624 1.001) 8.276 15.558 ( 1.164 3.093 -1.901) 3.812 15.589 ( -2.964 -0.769 -1.424) 3.377 15.768 ( 1.151 2.680 -0.311) 2.934 16.554 ( -2.482 0.880 -1.394) 2.980 16.645 ( -1.694 1.859 1.088) 2.741 16.682 ( -3.578 1.021 -0.184) 3.725 16.728 ( -0.527 -3.285 -0.659) 3.391 19.208 ( 3.694 -3.983 -3.389) 6.403 19.345 ( 1.512 -4.170 1.271) 4.614 20.120 ( 1.269 3.089 1.664) 3.731 20.376 ( 0.121 3.942 -3.719) 5.421 21.250 ( -3.618 -4.088 7.635) 9.386 21.394 ( 1.914 -1.489 -7.348) 7.738 23.193 ( 0.406 -0.855 -0.747) 1.205 23.311 ( -3.725 -2.403 0.171) 4.436 26.645 ( 1.316 0.140 0.077) 1.326 26.743 ( -1.023 0.137 0.065) 1.034 29.237 ( 6.335 7.586 0.576) 9.900 29.462 ( -2.791 9.124 -0.420) 9.551 29.903 ( -18.777 -1.935 8.136) 20.555 30.602 ( 4.081 -5.881 -8.155) 10.851 30.804 ( 0.048 3.619 -13.012) 13.506 30.845 ( 0.275 0.870 -0.088) 0.917 31.108 ( 10.045 8.729 -7.166) 15.114 31.409 ( -6.206 5.054 -3.035) 8.560 32.200 ( -1.732 0.094 -1.651) 2.394 32.218 ( -1.813 2.130 0.593) 2.859 32.437 ( -3.818 -1.412 0.131) 4.072 32.678 ( -1.974 5.437 -2.378) 6.253 33.641 ( -3.541 -0.152 6.420) 7.333 33.887 ( 3.057 -2.555 -6.611) 7.718 35.543 ( 2.721 0.201 3.468) 4.412 35.774 ( 2.194 1.295 7.777) 8.184 35.799 ( -0.244 0.682 -2.456) 2.561 36.314 ( -4.390 0.391 6.698) 8.018 36.423 ( 0.635 5.059 -2.190) 5.549 36.532 ( 0.268 -0.966 -6.520) 6.596 37.831 ( 3.171 -7.911 22.156) 23.739 38.410 ( 9.166 -14.343 -8.542) 19.045 ======================= Grid point 150 (71/93) ======================= q-point: (-0.25 0.12 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -3.984 8.734 2.182) 9.845 0.993 ( -0.045 13.677 7.143) 15.430 1.093 ( -2.021 -0.537 7.853) 8.127 1.362 ( -14.215 17.182 12.679) 25.653 1.699 ( 0.886 -0.786 -11.159) 11.222 1.966 ( -4.372 16.274 -4.970) 17.568 2.066 ( -2.535 8.245 6.761) 10.960 2.290 ( 2.687 2.688 -4.481) 5.875 2.297 ( -3.173 0.100 0.759) 3.264 2.524 ( -3.632 -2.903 4.476) 6.454 2.598 ( -1.186 0.580 0.017) 1.321 2.797 ( -6.809 2.958 -1.158) 7.514 2.969 ( -7.180 5.216 6.098) 10.768 3.112 ( 4.994 5.854 -9.845) 12.496 3.326 ( 0.384 -8.607 -6.600) 10.853 3.410 ( -3.691 -0.003 0.187) 3.696 3.664 ( -2.594 2.112 5.057) 6.063 3.823 ( 3.669 -2.250 3.972) 5.857 3.905 ( 4.791 4.735 -6.322) 9.238 4.253 ( 2.059 -8.891 7.939) 12.097 4.327 ( -3.880 -6.057 0.657) 7.223 4.517 ( -0.194 -3.101 -0.136) 3.110 4.613 ( 0.014 -0.372 -1.125) 1.185 4.697 ( 4.003 -4.103 -6.648) 8.778 4.721 ( -0.669 -3.421 -5.715) 6.694 4.974 ( 1.734 -2.593 -4.344) 5.348 5.158 ( 7.456 -3.350 7.124) 10.843 5.194 ( 5.038 -2.688 2.997) 6.449 5.235 ( 5.223 3.930 1.245) 6.654 5.301 ( 8.180 3.932 0.638) 9.098 5.509 ( -2.390 0.547 -0.310) 2.471 5.677 ( 1.960 -9.750 0.809) 9.978 6.304 ( 4.654 -4.814 1.691) 6.906 6.373 ( 2.887 -2.221 -0.601) 3.692 6.518 ( 3.879 -3.884 4.325) 6.989 6.836 ( -3.762 1.622 -4.290) 5.932 7.064 ( 9.548 0.214 -0.830) 9.587 7.147 ( 3.398 3.775 2.682) 5.744 7.412 ( -7.371 -4.388 3.232) 9.167 7.436 ( -0.668 -3.326 -2.520) 4.226 8.574 ( 1.257 -0.592 -1.058) 1.746 8.646 ( -3.983 0.533 -0.116) 4.020 8.969 ( -4.300 -1.584 0.872) 4.665 9.138 ( 0.265 -0.805 1.464) 1.691 9.147 ( -9.843 1.646 0.128) 9.981 9.211 ( -1.173 -2.225 -1.859) 3.128 9.472 ( 2.531 -7.259 -0.082) 7.688 9.642 ( -6.436 -6.729 0.197) 9.313 9.830 ( 5.871 7.676 0.264) 9.667 10.010 ( -3.210 5.097 -0.041) 6.024 10.316 ( 5.405 2.644 4.747) 7.664 10.496 ( 7.753 3.432 -3.589) 9.208 11.064 ( -5.578 -2.325 0.173) 6.045 11.118 ( -4.221 -3.476 -0.386) 5.482 11.537 ( -4.422 -3.341 -0.093) 5.543 11.574 ( -5.943 0.867 -1.778) 6.264 13.079 ( 7.195 -4.180 -0.245) 8.325 13.118 ( 4.325 -1.979 -0.411) 4.774 13.227 ( -1.604 2.248 -1.147) 2.991 13.255 ( -2.560 -0.004 0.788) 2.679 13.575 ( 5.455 -3.588 0.193) 6.533 13.645 ( 0.513 -1.585 0.086) 1.668 13.753 ( -0.216 1.958 0.657) 2.077 13.961 ( 2.443 0.438 0.088) 2.484 14.140 ( -10.192 5.395 -0.352) 11.537 14.327 ( -3.614 5.966 -1.134) 7.067 14.560 ( 7.805 12.842 3.589) 15.451 14.915 ( -0.513 9.685 -4.956) 10.891 15.344 ( -1.586 7.455 1.720) 7.814 15.477 ( -0.385 8.418 -6.468) 10.623 15.554 ( -2.242 -0.750 0.456) 2.408 15.697 ( -4.516 4.892 -2.985) 7.296 16.507 ( -0.643 0.774 -0.870) 1.330 16.604 ( -4.278 1.632 0.559) 4.613 16.626 ( 0.917 1.498 0.715) 1.897 16.723 ( -2.508 -1.172 -0.392) 2.796 19.318 ( 6.086 -5.767 -2.404) 8.723 19.411 ( -0.481 -5.497 1.050) 5.617 20.118 ( 0.919 3.201 1.956) 3.862 20.284 ( -1.601 6.313 -5.120) 8.285 21.288 ( -3.769 -5.840 7.219) 10.021 21.409 ( 3.060 -2.653 -7.359) 8.400 23.186 ( -3.348 0.380 4.508) 5.628 23.290 ( 0.057 -3.539 -5.103) 6.211 26.671 ( 1.680 -0.195 0.062) 1.693 26.721 ( -1.340 0.463 0.075) 1.420 29.278 ( 8.574 10.050 1.523) 13.298 29.360 ( 3.275 9.846 -1.099) 10.434 29.627 ( -18.442 4.470 5.865) 19.862 30.273 ( -24.639 15.619 -34.884) 45.474 30.758 ( 4.301 2.604 0.747) 5.083 30.839 ( 0.038 0.801 -0.465) 0.927 31.127 ( 5.308 5.936 -0.535) 7.981 31.277 ( -0.748 5.102 -2.477) 5.721 32.156 ( -1.736 1.247 -0.316) 2.160 32.164 ( -2.122 1.238 -0.516) 2.510 32.429 ( -0.380 -0.706 3.623) 3.711 32.575 ( -1.681 4.326 -3.099) 5.581 33.654 ( -1.733 -0.667 8.902) 9.094 33.905 ( 2.189 -1.962 -8.200) 8.711 35.599 ( 1.371 0.211 3.937) 4.175 35.763 ( -0.623 1.149 -3.373) 3.618 35.890 ( 7.248 1.705 8.379) 11.209 36.258 ( -4.681 2.807 0.700) 5.503 36.368 ( -1.862 2.879 3.623) 4.988 36.516 ( 1.622 -1.095 -6.890) 7.163 38.237 ( 7.677 -23.256 25.576) 35.411 38.663 ( 9.410 -16.815 -8.885) 21.219 ======================= Grid point 151 (72/93) ======================= q-point: (-0.12 0.12 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.043 11.313 10.887) 15.701 0.946 ( 1.710 8.144 -0.144) 8.323 1.174 ( -0.186 -1.703 19.276) 19.352 1.263 ( 7.716 6.826 14.539) 17.819 1.572 ( -2.449 9.802 -19.366) 21.843 1.645 ( -3.927 2.294 -15.532) 16.184 2.083 ( 1.656 11.328 18.708) 21.933 2.254 ( -1.059 1.400 1.041) 2.041 2.344 ( 9.012 4.584 0.632) 10.130 2.464 ( -6.113 8.509 -0.928) 10.518 2.570 ( -2.089 4.013 -0.859) 4.605 2.643 ( -0.790 -4.788 -6.614) 8.204 2.937 ( -0.387 0.070 5.785) 5.799 3.129 ( 6.812 -1.751 -11.590) 13.557 3.323 ( -6.289 -1.970 0.358) 6.600 3.381 ( 3.019 -4.513 -5.350) 7.623 3.606 ( -4.603 5.733 7.263) 10.335 3.772 ( 4.039 7.996 -8.548) 12.382 4.072 ( 8.288 -2.056 6.738) 10.877 4.183 ( -11.654 -1.777 -2.741) 12.103 4.348 ( -6.224 -4.407 11.910) 14.142 4.555 ( 3.028 -0.335 -6.541) 7.216 4.621 ( -0.064 -3.971 1.701) 4.320 4.669 ( 0.230 -1.595 -3.189) 3.573 4.868 ( 6.424 -4.278 -0.125) 7.719 4.913 ( -7.236 -2.463 -4.607) 8.924 5.209 ( -5.515 5.485 2.032) 8.039 5.232 ( 2.471 0.790 -1.044) 2.796 5.295 ( 1.738 1.300 1.909) 2.890 5.344 ( 3.841 4.314 -2.011) 6.116 5.725 ( 5.282 -15.634 4.885) 17.210 5.772 ( -4.337 -13.243 0.039) 13.935 6.364 ( -3.001 -2.723 3.991) 5.687 6.465 ( 4.875 -4.735 -5.472) 8.725 6.674 ( 4.023 -6.812 4.777) 9.242 6.766 ( -2.202 -4.528 -4.185) 6.547 7.120 ( -5.133 4.071 3.043) 7.223 7.187 ( 6.329 1.301 -2.833) 7.055 7.380 ( -2.251 -2.035 3.716) 4.797 7.444 ( 0.779 -2.105 -2.389) 3.278 8.600 ( -1.735 -0.468 0.033) 1.797 8.609 ( 2.324 -0.867 -0.929) 2.649 8.969 ( 3.783 1.167 1.277) 4.160 8.993 ( -2.488 0.922 -1.129) 2.883 9.169 ( 0.017 -1.152 2.295) 2.568 9.215 ( 0.004 -0.865 -2.167) 2.333 9.580 ( -3.902 -5.709 1.903) 7.172 9.617 ( 2.666 -3.544 -1.906) 4.827 9.856 ( 0.346 2.305 2.878) 3.704 9.904 ( -1.014 3.283 -1.910) 3.931 10.402 ( 1.721 1.818 4.655) 5.286 10.498 ( -0.551 3.053 -4.584) 5.535 11.037 ( -2.071 -0.663 2.441) 3.269 11.089 ( 1.660 -0.737 -2.666) 3.226 11.517 ( -1.269 -2.267 -0.003) 2.598 11.519 ( 0.337 -1.761 -0.327) 1.823 13.167 ( -1.317 -2.181 0.342) 2.571 13.173 ( 1.413 -0.101 -0.159) 1.425 13.203 ( -3.788 -0.143 -0.193) 3.796 13.207 ( 3.044 0.985 -0.530) 3.243 13.670 ( 1.730 -1.925 1.116) 2.818 13.689 ( -2.213 -3.237 -0.788) 3.999 13.751 ( 3.578 5.270 2.140) 6.720 13.798 ( -3.929 5.392 -2.425) 7.098 14.138 ( 5.061 0.561 1.478) 5.302 14.175 ( -5.519 2.390 -2.136) 6.382 14.540 ( 3.442 16.798 4.878) 17.827 14.672 ( -3.395 21.514 -8.668) 23.441 15.287 ( 0.095 4.624 2.053) 5.060 15.343 ( -1.278 7.520 -3.953) 8.592 15.549 ( 1.081 0.328 1.214) 1.658 15.576 ( -1.389 1.871 -1.392) 2.715 16.525 ( -3.338 1.338 -0.272) 3.606 16.530 ( 4.841 0.941 -0.722) 4.984 16.656 ( 2.706 0.581 1.375) 3.091 16.678 ( -2.706 0.323 -0.758) 2.829 19.434 ( -4.071 -5.504 1.023) 6.922 19.457 ( 3.957 -5.545 -1.238) 6.923 20.098 ( -2.688 3.132 3.411) 5.354 20.179 ( 2.026 5.667 -4.814) 7.707 21.320 ( -4.875 -5.162 6.419) 9.572 21.446 ( 3.210 -3.003 -6.040) 7.470 23.164 ( -3.600 -1.195 7.283) 8.212 23.306 ( 2.480 -1.623 -6.427) 7.078 26.696 ( -0.194 0.114 0.069) 0.235 26.697 ( 0.245 0.166 -0.052) 0.300 29.229 ( -3.047 16.985 4.731) 17.893 29.390 ( 12.679 24.043 -10.713) 29.216 29.432 ( 2.538 3.048 2.220) 4.545 29.516 ( -16.436 7.781 -7.293) 19.593 30.790 ( 0.563 1.065 1.798) 2.164 30.823 ( -0.371 0.716 -1.334) 1.559 31.143 ( 0.135 2.566 2.885) 3.863 31.211 ( -0.594 3.900 -3.591) 5.334 32.129 ( -0.484 0.737 0.086) 0.886 32.134 ( 0.512 0.822 -0.365) 1.035 32.466 ( 2.054 0.100 1.904) 2.803 32.516 ( 0.632 2.222 -3.193) 3.941 33.693 ( -1.958 -0.522 10.177) 10.377 33.896 ( 1.581 -1.408 -9.337) 9.574 35.636 ( 0.761 0.287 4.073) 4.154 35.721 ( -0.511 0.955 -3.941) 4.088 36.043 ( 8.326 1.443 4.096) 9.391 36.129 ( -5.016 3.867 -4.044) 7.515 36.356 ( -2.706 0.224 7.697) 8.162 36.513 ( 2.392 -0.455 -7.184) 7.586 38.681 ( -3.646 -26.055 14.683) 30.129 38.885 ( 3.104 -15.661 -6.868) 17.380 ======================= Grid point 154 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.953 0.000 -1.179) 1.516 1.088 ( 3.761 -0.000 0.155) 3.765 1.548 ( 12.185 -0.000 -0.416) 12.192 1.604 ( 7.030 -0.000 0.995) 7.100 1.912 ( 1.736 -0.000 -3.908) 4.276 2.043 ( 9.211 -0.000 -3.498) 9.853 2.256 ( 4.039 -0.000 -1.275) 4.235 2.267 ( -3.974 0.000 -0.431) 3.998 2.517 ( 9.483 -0.000 2.528) 9.815 2.699 ( -7.702 0.000 0.634) 7.728 2.921 ( 8.297 -0.000 9.088) 12.306 3.017 ( -12.102 0.000 -6.497) 13.736 3.106 ( 1.846 -0.000 5.136) 5.457 3.123 ( -2.821 0.000 -4.605) 5.400 3.322 ( 0.713 -0.000 -0.259) 0.759 3.424 ( 2.391 -0.000 -11.681) 11.923 3.558 ( 5.217 -0.000 -13.276) 14.264 3.628 ( -8.895 0.000 14.607) 17.102 3.909 ( -6.227 0.000 8.651) 10.660 3.979 ( -8.205 0.000 3.835) 9.057 4.182 ( -12.441 0.000 4.287) 13.159 4.410 ( 2.867 -0.000 -3.053) 4.188 4.483 ( -7.602 0.000 -4.236) 8.702 4.597 ( 7.854 -0.000 -3.870) 8.755 4.618 ( -3.301 0.000 0.040) 3.301 4.700 ( 7.781 -0.000 -0.980) 7.842 4.903 ( 2.384 -0.000 11.731) 11.970 5.051 ( 2.033 -0.000 1.831) 2.736 5.243 ( -1.159 0.000 -2.436) 2.698 5.257 ( 9.123 -0.000 -6.538) 11.224 5.447 ( -3.575 0.000 -3.678) 5.129 5.614 ( 1.016 -0.000 4.999) 5.101 6.212 ( -1.690 0.000 -5.577) 5.827 6.224 ( -0.010 0.000 -3.036) 3.036 6.405 ( -6.272 0.000 8.190) 10.316 6.683 ( 4.767 -0.000 3.500) 5.914 7.046 ( 5.011 -0.000 -1.205) 5.154 7.150 ( 0.479 -0.000 -4.735) 4.759 7.473 ( -4.838 0.000 2.467) 5.431 7.576 ( -6.726 0.000 0.413) 6.739 8.637 ( 2.309 -0.000 -4.093) 4.699 8.791 ( 1.122 -0.000 1.714) 2.048 8.952 ( -3.725 0.000 -6.431) 7.432 9.041 ( -3.062 0.000 4.648) 5.567 9.406 ( -5.446 0.000 -1.248) 5.587 9.469 ( -1.053 0.000 0.456) 1.148 9.572 ( 0.975 -0.000 -1.175) 1.527 9.605 ( -5.009 0.000 3.805) 6.290 9.847 ( 0.111 -0.000 -1.291) 1.295 9.890 ( -0.539 0.000 2.518) 2.575 10.204 ( 10.088 -0.000 -5.391) 11.438 10.292 ( 7.805 -0.000 4.390) 8.955 11.269 ( -1.660 0.000 -0.072) 1.661 11.320 ( -0.742 0.000 0.300) 0.800 11.672 ( -3.281 0.000 -0.412) 3.307 11.817 ( 1.506 -0.000 0.957) 1.784 12.780 ( -8.837 0.000 -0.473) 8.850 12.820 ( -4.703 0.000 0.263) 4.711 13.166 ( -0.755 0.000 -0.806) 1.104 13.295 ( 1.328 -0.000 0.728) 1.514 13.539 ( 0.149 -0.000 0.856) 0.869 13.568 ( -2.753 0.000 -1.212) 3.008 13.866 ( -0.222 0.000 -1.215) 1.235 13.890 ( 2.590 -0.000 1.343) 2.917 14.292 ( 2.431 -0.000 -0.384) 2.461 14.367 ( -1.723 0.000 -0.215) 1.736 14.726 ( 12.820 -0.000 1.805) 12.947 14.804 ( 9.953 -0.000 -0.461) 9.964 15.475 ( 6.032 -0.000 -2.703) 6.610 15.551 ( 3.067 -0.000 1.793) 3.553 15.690 ( -0.685 0.000 2.589) 2.678 15.763 ( -0.300 0.000 -2.383) 2.402 16.585 ( 1.305 -0.000 -1.128) 1.725 16.631 ( 0.625 -0.000 1.309) 1.450 16.741 ( -4.005 0.000 3.367) 5.232 16.773 ( 0.953 -0.000 -2.637) 2.804 19.211 ( -1.086 0.000 3.520) 3.683 19.242 ( -4.930 0.000 -2.988) 5.765 20.127 ( 2.098 -0.000 3.255) 3.873 20.357 ( 4.069 -0.000 -2.389) 4.718 21.236 ( -4.698 0.000 7.755) 9.067 21.455 ( -0.341 0.000 -6.271) 6.280 23.167 ( 0.635 -0.000 -7.840) 7.866 23.301 ( -1.717 0.000 8.367) 8.542 26.668 ( 0.198 -0.000 -0.300) 0.359 26.720 ( -0.022 0.000 0.405) 0.406 29.235 ( 7.438 -0.000 1.055) 7.512 29.687 ( 16.987 -0.000 -1.339) 17.040 30.141 ( -10.966 0.000 -4.545) 11.870 30.153 ( -10.994 0.000 7.668) 13.404 30.775 ( 10.551 -0.000 -5.529) 11.912 30.860 ( 0.167 -0.000 0.850) 0.866 31.007 ( 8.062 -0.000 -5.265) 9.628 31.578 ( 3.532 -0.000 19.261) 19.582 32.194 ( -0.109 0.000 2.363) 2.365 32.244 ( 1.101 -0.000 -0.806) 1.365 32.595 ( 0.149 -0.000 -7.446) 7.448 32.640 ( 5.342 -0.000 5.029) 7.336 33.723 ( -5.127 0.000 7.813) 9.345 33.777 ( 2.958 -0.000 -7.185) 7.770 35.494 ( -0.911 0.000 -1.658) 1.892 35.758 ( -0.659 0.000 -3.438) 3.501 35.794 ( 1.147 -0.000 0.226) 1.169 36.390 ( -2.993 0.000 7.405) 7.987 36.490 ( 2.931 0.000 -7.700) 8.239 36.490 ( 4.827 -0.000 -1.024) 4.935 37.984 ( -4.667 0.000 -20.863) 21.379 38.088 ( -15.495 0.000 17.119) 23.090 ======================= Grid point 155 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.902 1.718 -1.170) 2.266 1.122 ( 0.701 0.885 0.133) 1.137 1.673 ( -3.067 3.648 2.874) 5.566 1.772 ( 7.346 -4.391 4.559) 9.697 1.953 ( 15.418 8.144 1.085) 17.471 2.083 ( 0.314 4.025 -2.641) 4.824 2.235 ( 2.588 4.144 -0.633) 4.926 2.349 ( 1.678 -7.873 -3.977) 8.978 2.584 ( -5.330 0.507 -1.497) 5.559 2.593 ( 3.260 6.149 0.929) 7.022 2.726 ( -14.917 -6.368 -4.003) 16.706 2.920 ( -5.558 12.430 -0.764) 13.637 3.107 ( 1.632 3.382 8.202) 9.021 3.170 ( 2.739 2.928 -1.069) 4.149 3.344 ( -2.733 -16.758 -4.723) 17.624 3.440 ( -3.102 -6.609 1.759) 7.510 3.569 ( 5.531 0.237 -3.733) 6.678 3.632 ( 2.782 -2.854 -2.991) 4.983 3.852 ( -8.310 -1.553 -1.921) 8.670 3.898 ( -3.529 2.245 5.371) 6.807 4.016 ( -5.032 1.785 2.525) 5.906 4.332 ( -4.194 1.266 -0.959) 4.485 4.484 ( 1.474 -2.392 2.055) 3.481 4.597 ( 0.978 0.486 -0.881) 1.403 4.752 ( 12.079 -1.522 -4.811) 13.091 4.850 ( 8.711 0.336 -0.710) 8.746 5.025 ( 2.440 0.542 11.946) 12.205 5.104 ( 1.537 2.982 0.160) 3.358 5.203 ( -0.505 -5.603 -1.317) 5.778 5.303 ( 1.754 1.501 -6.505) 6.903 5.426 ( 3.954 3.251 0.010) 5.119 5.643 ( -2.026 -1.991 3.358) 4.398 6.153 ( -0.550 2.246 -3.877) 4.515 6.221 ( 1.151 -1.054 -1.876) 2.440 6.390 ( -2.088 -0.606 7.585) 7.891 6.794 ( 7.528 1.260 1.762) 7.833 7.102 ( 0.327 1.677 -3.857) 4.219 7.117 ( 3.070 0.603 -2.002) 3.714 7.382 ( -5.652 2.144 2.389) 6.500 7.490 ( -7.419 -4.449 0.007) 8.651 8.628 ( 0.033 0.946 -2.868) 3.020 8.797 ( -0.978 -0.877 -0.290) 1.345 8.879 ( -0.363 -1.699 -7.016) 7.228 9.032 ( -2.638 -0.106 4.728) 5.415 9.292 ( -5.929 0.739 -0.959) 6.052 9.466 ( -13.376 -1.110 4.020) 14.011 9.479 ( -2.422 -3.598 1.352) 4.543 9.530 ( -4.236 -0.900 -0.756) 4.396 9.917 ( 9.166 2.602 -0.743) 9.558 9.962 ( 6.154 1.505 2.552) 6.831 10.301 ( 9.170 2.584 -4.167) 10.398 10.421 ( 2.996 -0.350 2.947) 4.217 11.208 ( -6.461 -0.601 0.269) 6.494 11.262 ( -6.760 -0.295 -0.530) 6.787 11.600 ( -5.285 -1.042 -0.856) 5.454 11.806 ( -3.091 0.623 0.308) 3.169 12.679 ( 2.613 3.189 -0.510) 4.154 12.837 ( 0.473 -6.398 0.160) 6.418 13.168 ( 0.219 -1.819 -0.344) 1.864 13.319 ( 0.846 -0.662 0.089) 1.078 13.506 ( 0.393 4.119 0.053) 4.138 13.579 ( -0.705 -3.364 0.015) 3.437 13.850 ( 1.233 2.961 -0.262) 3.218 13.947 ( 0.913 -1.917 0.283) 2.142 14.342 ( 4.091 1.277 0.026) 4.286 14.364 ( 1.964 -0.051 0.311) 1.989 14.776 ( 9.390 14.340 0.862) 17.162 15.010 ( 1.982 -8.398 0.082) 8.629 15.519 ( 1.723 0.151 -2.164) 2.771 15.592 ( 0.896 -0.358 0.431) 1.057 15.691 ( 0.706 3.918 1.683) 4.322 15.759 ( 1.614 -1.178 -0.651) 2.101 16.610 ( 0.856 -0.808 -0.458) 1.263 16.629 ( -0.795 -0.835 -0.198) 1.170 16.702 ( -2.652 0.545 3.093) 4.110 16.751 ( -1.771 0.173 -1.972) 2.657 19.162 ( -1.447 0.524 -3.146) 3.502 19.232 ( -0.610 -2.053 2.315) 3.154 20.170 ( 1.914 2.108 3.595) 4.586 20.406 ( 3.998 -0.333 -3.631) 5.412 21.208 ( -4.936 -0.628 7.365) 8.888 21.408 ( -0.133 -0.012 -7.210) 7.211 23.143 ( 1.314 -1.580 -7.059) 7.352 23.307 ( -4.382 -0.823 7.340) 8.588 26.663 ( 0.553 1.603 -0.112) 1.699 26.728 ( -0.305 -1.422 0.264) 1.478 29.346 ( 7.832 5.745 3.232) 10.237 29.806 ( 0.874 7.969 -1.497) 8.155 29.904 ( -14.667 -3.103 2.623) 15.219 30.216 ( 7.146 -14.036 -4.580) 16.403 30.842 ( 2.388 0.187 -2.124) 3.201 30.865 ( 0.213 0.499 0.451) 0.706 31.147 ( 15.239 2.908 -9.516) 18.199 31.637 ( -3.442 4.263 9.473) 10.943 32.211 ( 0.255 0.257 1.755) 1.792 32.244 ( -0.362 -0.984 -0.578) 1.197 32.519 ( -3.379 0.920 -6.256) 7.170 32.755 ( 2.491 0.505 7.252) 7.685 33.677 ( -5.809 -0.280 5.593) 8.069 33.797 ( 3.630 -1.429 -5.957) 7.121 35.498 ( 1.439 0.130 1.582) 2.143 35.748 ( -0.112 0.102 2.991) 2.995 35.808 ( 0.842 -0.194 -1.279) 1.544 36.368 ( -4.718 0.834 7.065) 8.537 36.480 ( 2.601 0.375 -6.997) 7.474 36.552 ( 3.118 0.158 -2.571) 4.044 37.817 ( -0.987 6.017 -6.905) 9.212 38.034 ( -5.956 -8.396 6.071) 11.950 ======================= Grid point 156 (75/93) ======================= q-point: (-0.50 0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.912 1.122 -0.833) 3.229 1.106 ( -0.747 1.446 0.154) 1.635 1.548 ( -1.653 7.322 -8.650) 11.453 1.783 ( -1.990 12.142 1.263) 12.368 1.966 ( -4.441 8.564 5.360) 11.036 2.150 ( -2.910 -1.744 6.413) 7.254 2.243 ( 10.562 6.207 -1.456) 12.337 2.334 ( -0.511 2.328 -3.922) 4.589 2.475 ( -4.142 4.372 -5.039) 7.852 2.618 ( -3.619 8.104 1.669) 9.031 2.633 ( 2.602 -6.654 1.864) 7.384 2.804 ( -0.644 -1.542 0.367) 1.711 3.108 ( -2.983 1.025 0.668) 3.224 3.115 ( -5.843 -0.554 2.810) 6.507 3.374 ( -0.210 3.701 6.515) 7.496 3.539 ( 7.102 -5.893 -5.219) 10.602 3.619 ( -3.437 -1.631 -2.672) 4.649 3.678 ( 1.188 0.060 0.284) 1.223 3.782 ( -1.561 -10.276 -1.199) 10.463 3.939 ( 4.379 -11.287 1.506) 12.200 4.007 ( 3.358 2.446 -3.783) 5.619 4.299 ( 1.162 -1.337 1.957) 2.639 4.528 ( -2.281 -2.217 4.835) 5.787 4.623 ( 1.391 -1.447 -1.045) 2.263 4.870 ( -1.078 0.487 -9.579) 9.652 4.911 ( 5.783 -1.651 -6.167) 8.614 5.068 ( 1.520 2.880 6.999) 7.720 5.092 ( 0.223 2.396 4.250) 4.884 5.248 ( 4.104 0.858 0.145) 4.195 5.367 ( 3.944 -5.261 0.122) 6.576 5.425 ( 1.795 6.135 1.646) 6.601 5.637 ( -2.687 -1.222 0.322) 2.969 6.127 ( 1.796 0.097 -1.054) 2.085 6.256 ( 0.923 -3.656 -0.958) 3.891 6.437 ( 2.664 0.995 5.997) 6.637 6.911 ( 7.537 0.863 -0.837) 7.632 7.021 ( -2.608 1.869 -5.288) 6.185 7.173 ( 5.354 3.170 0.395) 6.235 7.327 ( -3.638 -2.567 3.321) 5.555 7.410 ( -6.476 -3.237 -0.824) 7.287 8.594 ( -0.924 1.109 -1.842) 2.340 8.752 ( -4.876 -0.005 -1.249) 5.033 8.902 ( 3.358 -4.879 -7.020) 9.185 9.038 ( 0.643 -0.007 4.997) 5.039 9.208 ( -3.659 -0.489 -1.570) 4.011 9.304 ( -10.899 -2.087 3.847) 11.745 9.406 ( -8.798 -0.909 0.950) 8.896 9.516 ( -3.321 -5.674 0.166) 6.576 10.000 ( 6.918 7.722 0.200) 10.370 10.078 ( 8.513 2.613 2.478) 9.244 10.399 ( 3.334 -0.648 -4.035) 5.275 10.429 ( 3.032 4.024 2.714) 5.723 11.098 ( -8.179 -2.103 0.548) 8.463 11.131 ( -8.905 -1.355 -1.205) 9.088 11.526 ( -5.430 -2.485 -0.616) 6.004 11.717 ( -6.721 0.736 -0.692) 6.796 12.794 ( 10.849 -2.202 -0.528) 11.083 12.944 ( 5.440 -4.653 0.086) 7.159 13.198 ( 0.649 -2.241 0.527) 2.392 13.331 ( 0.950 0.995 -0.747) 1.565 13.483 ( 1.110 2.534 0.089) 2.768 13.596 ( -0.777 -2.359 0.359) 2.509 13.845 ( 2.346 4.401 0.190) 4.991 13.953 ( -0.141 -0.405 -0.606) 0.742 14.361 ( -1.411 2.091 -0.621) 2.598 14.426 ( 5.496 1.815 1.848) 6.076 14.777 ( 4.732 10.302 0.672) 11.357 15.024 ( -3.153 -0.971 -0.452) 3.330 15.521 ( -0.023 0.166 -0.874) 0.890 15.584 ( -2.329 0.219 0.576) 2.409 15.666 ( 2.469 6.787 0.016) 7.222 15.811 ( 3.857 0.891 -0.366) 3.975 16.574 ( -2.347 1.081 -0.734) 2.686 16.669 ( 0.912 -2.644 0.166) 2.802 16.679 ( -0.895 1.452 1.456) 2.243 16.697 ( -3.274 0.406 -0.507) 3.338 19.151 ( 2.111 -1.694 -3.671) 4.562 19.263 ( -0.657 -3.670 1.731) 4.110 20.192 ( 1.685 3.668 3.642) 5.437 20.432 ( 2.961 1.726 -4.833) 5.925 21.189 ( -4.672 -2.122 7.330) 8.948 21.369 ( 0.789 -0.959 -7.816) 7.914 23.150 ( 2.087 -2.550 -6.070) 6.907 23.268 ( -7.148 -1.800 5.963) 9.481 26.661 ( 1.110 1.322 0.045) 1.727 26.734 ( -0.783 -1.004 0.151) 1.282 29.403 ( 6.341 9.125 3.380) 11.614 29.632 ( -6.414 7.539 -1.396) 9.996 29.810 ( -11.163 -6.940 7.011) 14.897 30.442 ( 10.795 -8.385 -12.985) 18.854 30.846 ( 0.544 1.004 -2.155) 2.438 30.861 ( -0.036 0.685 0.160) 0.704 31.274 ( 14.001 6.595 -11.342) 19.187 31.539 ( -6.506 6.605 3.378) 9.867 32.203 ( -0.117 0.568 -2.216) 2.290 32.253 ( -0.899 0.728 2.552) 2.802 32.418 ( -4.076 -0.213 -1.895) 4.500 32.762 ( -2.844 2.947 1.278) 4.290 33.632 ( -4.132 -0.611 5.770) 7.124 33.835 ( 3.000 -2.436 -5.787) 6.959 35.549 ( 2.592 0.273 3.848) 4.648 35.798 ( 2.432 0.997 9.450) 9.808 35.807 ( 0.473 0.207 -2.099) 2.161 36.324 ( -4.814 0.619 6.450) 8.072 36.478 ( 2.414 -0.366 -6.303) 6.759 36.544 ( 0.070 2.776 -3.831) 4.732 37.769 ( -0.556 1.471 8.521) 8.665 38.125 ( 2.579 -13.915 -4.617) 14.886 ======================= Grid point 157 (76/93) ======================= q-point: (-0.38 0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.777 2.746 -0.054) 2.854 1.084 ( -1.242 0.802 1.472) 2.086 1.363 ( -0.789 19.131 0.699) 19.160 1.671 ( 0.695 3.275 -9.208) 9.798 1.741 ( -7.837 17.848 8.548) 21.285 2.185 ( -2.157 -6.410 3.571) 7.648 2.233 ( -8.510 9.165 -12.754) 17.863 2.326 ( 5.294 7.193 0.802) 8.967 2.350 ( 6.131 6.433 4.973) 10.183 2.511 ( -0.992 4.200 1.441) 4.550 2.664 ( 0.543 5.351 -0.202) 5.382 2.807 ( -1.514 1.319 1.659) 2.605 3.015 ( -6.765 0.826 3.525) 7.672 3.108 ( -5.213 -8.546 -0.067) 10.011 3.411 ( 6.048 9.715 0.054) 11.444 3.472 ( -4.041 6.300 -2.373) 7.851 3.662 ( 0.068 -0.814 1.692) 1.879 3.701 ( 4.497 -6.591 1.140) 8.060 3.925 ( 3.444 -4.027 0.398) 5.314 4.040 ( -0.833 -12.104 -3.396) 12.599 4.156 ( 4.992 -9.300 3.103) 11.002 4.442 ( 7.842 -6.782 0.350) 10.374 4.533 ( -1.237 -2.925 5.088) 5.998 4.595 ( -5.650 -2.558 -3.881) 7.316 4.734 ( -4.151 0.089 -8.440) 9.406 4.915 ( -2.293 -3.143 -4.731) 6.125 5.129 ( 4.018 0.813 4.469) 6.065 5.163 ( 4.856 -0.373 4.958) 6.950 5.335 ( 6.077 2.668 -1.278) 6.759 5.378 ( 4.562 5.589 2.043) 7.498 5.492 ( -0.253 -7.335 0.041) 7.340 5.565 ( -5.106 2.758 -0.067) 5.803 6.207 ( 5.570 -4.392 -0.914) 7.152 6.294 ( -1.419 -5.069 0.016) 5.264 6.520 ( 4.724 2.059 5.966) 7.883 6.885 ( -3.438 3.160 -6.707) 8.172 7.038 ( 5.434 -2.060 -0.638) 5.846 7.200 ( -1.176 0.561 -0.817) 1.538 7.324 ( -2.195 -3.132 4.438) 5.859 7.397 ( 2.407 -0.759 -0.858) 2.666 8.571 ( 0.736 0.358 -1.562) 1.763 8.658 ( -4.942 0.711 -0.597) 5.029 8.945 ( 2.162 -1.081 -1.570) 2.882 9.087 ( -1.066 -3.149 2.485) 4.150 9.173 ( -3.619 -1.665 -1.586) 4.288 9.188 ( -6.742 1.540 -0.609) 6.942 9.331 ( -0.792 -6.026 2.476) 6.563 9.508 ( -5.084 -6.397 -0.217) 8.174 10.007 ( 4.693 9.514 1.058) 10.661 10.138 ( 1.126 7.159 0.332) 7.254 10.365 ( 0.898 1.994 4.302) 4.826 10.527 ( 6.255 -0.513 -3.707) 7.289 11.012 ( -5.989 -2.989 0.166) 6.696 11.036 ( -4.657 -3.987 -0.668) 6.167 11.476 ( -3.406 -2.692 -0.187) 4.345 11.589 ( -6.914 0.554 -1.793) 7.164 12.987 ( 8.108 -4.181 -0.038) 9.123 13.070 ( 4.479 -3.220 -0.350) 5.527 13.224 ( 0.505 0.063 0.865) 1.004 13.312 ( -0.055 3.429 -1.073) 3.593 13.519 ( 4.298 -1.773 -0.065) 4.650 13.610 ( -0.656 -2.407 0.423) 2.530 13.835 ( 2.990 5.188 -0.002) 5.987 13.979 ( 3.180 0.969 0.264) 3.335 14.245 ( -7.544 4.734 0.113) 8.907 14.431 ( -3.892 4.791 -0.495) 6.193 14.757 ( 4.487 6.685 2.845) 8.539 14.995 ( 0.155 1.172 -2.336) 2.619 15.496 ( -0.813 3.927 1.243) 4.198 15.538 ( -2.398 1.189 0.826) 2.801 15.631 ( 2.688 7.867 -1.071) 8.382 15.815 ( 0.845 5.703 -4.120) 7.086 16.531 ( -0.405 1.563 0.093) 1.618 16.627 ( -3.479 0.558 -0.797) 3.612 16.663 ( 0.017 2.179 1.414) 2.598 16.699 ( -0.389 -1.141 0.144) 1.214 19.216 ( 4.785 -4.262 -3.009) 7.079 19.297 ( -2.125 -5.587 1.029) 6.066 20.199 ( 1.104 4.518 4.075) 6.184 20.397 ( 1.087 4.912 -6.501) 8.220 21.194 ( -4.128 -3.711 7.633) 9.438 21.359 ( 2.097 -2.296 -8.129) 8.704 23.168 ( -3.079 -1.687 2.117) 4.100 23.215 ( -1.855 -3.765 -2.168) 4.724 26.675 ( 1.696 0.552 0.065) 1.785 26.723 ( -1.361 -0.210 0.122) 1.383 29.432 ( 4.802 5.717 2.336) 7.823 29.496 ( -1.844 4.519 -0.990) 4.980 29.721 ( -8.844 4.354 10.438) 14.357 30.452 ( -1.580 3.585 -26.136) 26.428 30.820 ( 0.907 2.753 -0.596) 2.959 30.854 ( -0.217 0.651 -0.177) 0.708 31.299 ( 5.259 10.105 -5.928) 12.842 31.393 ( -1.816 6.101 -1.477) 6.535 32.180 ( 0.109 1.227 -1.973) 2.326 32.201 ( -3.551 2.449 0.682) 4.367 32.412 ( 0.820 -1.070 4.043) 4.262 32.655 ( -4.189 3.364 -3.679) 6.511 33.638 ( -1.660 -0.928 7.776) 8.005 33.859 ( 1.837 -2.490 -6.854) 7.520 35.606 ( 1.458 0.412 4.575) 4.819 35.785 ( 0.021 0.955 -3.903) 4.018 35.928 ( 6.480 1.980 12.062) 13.835 36.287 ( -4.051 0.531 5.146) 6.570 36.457 ( -1.880 5.258 -3.473) 6.576 36.489 ( 2.040 -1.576 -6.607) 7.092 37.894 ( -0.672 -10.779 20.379) 23.064 38.309 ( 5.997 -18.166 -10.561) 21.851 ======================= Grid point 158 (77/93) ======================= q-point: (-0.25 0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.492 7.772 3.558) 8.677 1.067 ( -0.572 1.034 -0.004) 1.181 1.235 ( 0.313 12.630 14.173) 18.987 1.519 ( -2.449 12.900 6.735) 14.757 1.638 ( 5.496 7.332 -10.623) 14.029 1.902 ( -0.979 16.439 -18.485) 24.757 2.208 ( -2.998 1.848 6.674) 7.546 2.307 ( 1.797 1.013 -3.792) 4.317 2.453 ( 4.530 2.171 12.077) 13.080 2.534 ( 1.193 1.318 1.991) 2.670 2.622 ( -0.051 6.922 2.331) 7.304 2.741 ( 1.439 9.207 -6.796) 11.534 2.921 ( -5.426 0.203 4.615) 7.126 3.079 ( 1.754 -4.032 -8.548) 9.613 3.365 ( -2.606 6.234 -1.323) 6.885 3.394 ( 6.022 6.230 -4.442) 9.737 3.669 ( -4.364 0.163 10.837) 11.684 3.830 ( 2.880 -3.065 -3.179) 5.272 4.005 ( 4.061 -3.540 1.791) 5.677 4.057 ( -9.498 -10.838 -2.864) 14.693 4.279 ( -4.945 -4.146 12.148) 13.756 4.524 ( 5.330 -2.592 -6.372) 8.702 4.532 ( -3.710 -5.115 0.968) 6.392 4.623 ( -0.929 -2.569 -3.617) 4.533 4.760 ( 7.917 -6.059 1.687) 10.111 4.849 ( -7.657 -4.869 -6.519) 11.173 5.237 ( 0.937 -0.306 2.321) 2.521 5.251 ( 1.787 -2.470 3.286) 4.482 5.350 ( 2.519 4.400 2.749) 5.767 5.433 ( 0.795 4.906 -2.009) 5.360 5.495 ( 1.715 -4.224 1.115) 4.693 5.526 ( -3.930 -9.655 -1.285) 10.503 6.290 ( -3.565 -4.416 2.274) 6.114 6.355 ( 4.815 -6.419 -3.615) 8.801 6.621 ( 5.086 0.662 6.251) 8.086 6.752 ( -4.493 2.200 -6.592) 8.275 7.126 ( -3.670 -3.257 1.295) 5.074 7.167 ( 3.714 -2.530 -2.355) 5.073 7.365 ( 0.464 0.528 3.296) 3.370 7.416 ( -0.092 -0.534 -1.422) 1.522 8.590 ( -2.435 -0.354 -0.291) 2.478 8.596 ( 2.921 -0.239 -1.104) 3.132 9.003 ( -0.386 1.934 0.825) 2.138 9.010 ( 0.392 1.058 -0.113) 1.134 9.121 ( -0.812 -3.410 2.778) 4.472 9.181 ( 0.624 -2.554 -2.986) 3.979 9.446 ( -2.301 -6.987 2.909) 7.911 9.507 ( 3.074 -6.498 -2.982) 7.782 9.966 ( -3.412 8.064 3.987) 9.621 10.036 ( 2.337 9.183 -2.896) 9.908 10.424 ( 0.343 0.169 6.174) 6.186 10.548 ( 0.718 1.447 -5.762) 5.984 10.997 ( -1.863 -3.294 1.997) 4.279 11.036 ( 1.435 -4.123 -1.795) 4.720 11.478 ( 1.106 -1.480 0.427) 1.896 11.498 ( -1.994 -0.574 -1.634) 2.641 13.104 ( 1.099 -3.632 0.726) 3.863 13.121 ( -1.309 -3.746 -0.940) 4.078 13.233 ( 0.945 2.526 0.997) 2.876 13.256 ( -0.994 3.064 -1.191) 3.434 13.615 ( -2.347 -3.897 0.261) 4.556 13.617 ( 2.196 -3.012 0.040) 3.728 13.872 ( 3.998 5.910 1.422) 7.275 13.902 ( -4.241 4.809 -1.435) 6.570 14.196 ( 6.401 4.699 2.647) 8.370 14.255 ( -6.439 5.114 -3.135) 8.800 14.798 ( 3.017 7.994 5.762) 10.306 14.923 ( -2.635 5.038 -6.134) 8.364 15.436 ( -0.283 8.680 3.287) 9.286 15.505 ( 0.265 2.806 -2.131) 3.533 15.606 ( 4.256 6.603 0.070) 7.856 15.659 ( -4.948 9.641 -5.299) 12.063 16.551 ( 4.031 1.010 0.053) 4.155 16.558 ( -2.668 1.763 -0.786) 3.293 16.670 ( 1.676 0.885 0.975) 2.132 16.685 ( -1.302 0.461 -0.440) 1.450 19.306 ( -4.438 -6.751 1.007) 8.142 19.336 ( 4.347 -6.096 -2.013) 7.753 20.181 ( -1.656 5.034 5.071) 7.335 20.307 ( 1.628 6.756 -7.373) 10.132 21.221 ( -3.786 -4.450 7.855) 9.790 21.379 ( 2.963 -3.468 -7.584) 8.850 23.123 ( -6.579 -2.719 7.327) 10.216 23.262 ( 5.000 -2.714 -6.172) 8.394 26.698 ( -0.964 0.122 0.176) 0.987 26.701 ( 1.030 0.209 -0.104) 1.056 29.439 ( -4.697 1.045 2.389) 5.373 29.487 ( 4.275 1.678 -1.732) 4.908 29.613 ( 2.536 16.758 13.481) 21.656 30.027 ( -5.151 23.810 -28.194) 37.261 30.817 ( -0.435 1.551 1.272) 2.052 30.840 ( 0.351 0.964 -0.953) 1.400 31.219 ( -4.182 4.979 4.285) 7.787 31.330 ( 3.649 8.017 -6.649) 11.036 32.144 ( -1.597 1.042 0.866) 2.094 32.164 ( 1.186 1.942 -1.100) 2.527 32.475 ( 3.009 0.702 3.543) 4.701 32.559 ( -0.605 1.873 -5.027) 5.398 33.678 ( -1.423 -0.917 9.100) 9.256 33.859 ( 1.232 -2.262 -8.198) 8.594 35.645 ( 0.669 0.590 4.792) 4.875 35.744 ( -0.265 1.351 -4.611) 4.812 36.084 ( 7.418 2.538 7.678) 10.973 36.215 ( -4.005 4.047 -3.255) 6.558 36.370 ( -3.472 1.493 3.756) 5.329 36.501 ( 2.920 -0.787 -6.726) 7.375 38.167 ( -5.553 -23.112 23.066) 33.122 38.514 ( 4.223 -20.282 -12.253) 24.069 ======================= Grid point 159 (78/93) ======================= q-point: (-0.12 0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.446 5.860 2.884) 6.547 1.030 ( 1.044 4.899 -1.995) 5.391 1.319 ( 2.145 -0.435 17.539) 17.675 1.432 ( -0.452 0.054 -11.715) 11.724 1.631 ( 14.101 12.488 -6.008) 19.770 1.775 ( 16.378 15.962 -2.259) 22.981 2.186 ( -1.738 -0.280 4.747) 5.063 2.319 ( 0.948 3.023 -0.297) 3.182 2.381 ( -7.424 7.598 -12.321) 16.268 2.531 ( -0.917 -1.834 3.142) 3.752 2.602 ( 4.638 1.147 3.368) 5.846 2.716 ( 10.730 17.514 4.635) 21.056 2.954 ( 1.564 -5.026 1.052) 5.367 3.136 ( 5.629 -2.722 -6.227) 8.825 3.261 ( -1.439 2.132 -1.156) 2.820 3.448 ( 7.611 1.952 -3.796) 8.726 3.632 ( -4.849 3.513 7.568) 9.650 3.810 ( -4.389 1.450 -1.493) 4.857 3.970 ( -2.433 -4.872 -5.951) 8.067 4.151 ( -0.863 -7.059 9.352) 11.749 4.305 ( -4.713 -3.533 14.034) 15.220 4.493 ( -7.840 -7.941 -3.992) 11.852 4.611 ( 4.449 1.793 -2.999) 5.658 4.639 ( 0.464 -3.628 0.198) 3.663 4.723 ( -6.459 -2.840 -3.768) 7.999 4.901 ( 1.010 -3.538 2.805) 4.627 5.179 ( -7.148 4.831 0.476) 8.641 5.211 ( -5.067 1.662 1.932) 5.672 5.332 ( -0.296 2.643 -1.656) 3.133 5.368 ( -4.160 -1.092 -7.277) 8.453 5.517 ( -4.432 -5.949 -0.081) 7.419 5.654 ( 0.330 -10.154 2.560) 10.477 6.285 ( -4.107 -5.225 2.502) 7.101 6.424 ( -0.723 -3.738 -4.929) 6.228 6.627 ( -5.316 -1.411 -5.756) 7.961 6.743 ( 4.607 -1.795 4.685) 6.811 7.039 ( -8.630 2.030 1.431) 8.980 7.208 ( -1.881 1.242 -2.819) 3.610 7.372 ( 0.592 -2.833 3.495) 4.538 7.460 ( 5.403 -3.340 -1.458) 6.517 8.573 ( 0.058 -0.953 -0.868) 1.290 8.650 ( 3.798 0.467 -0.529) 3.863 8.978 ( 2.028 -3.464 -0.072) 4.014 9.140 ( 6.612 0.284 0.813) 6.668 9.168 ( 3.772 0.776 -0.512) 3.885 9.195 ( 2.516 -2.475 -1.013) 3.672 9.461 ( -1.743 -5.818 0.902) 6.140 9.656 ( 6.203 -5.338 -1.062) 8.252 9.813 ( -7.088 5.545 1.891) 9.195 10.010 ( 3.505 6.863 -0.194) 7.709 10.386 ( -6.445 1.059 1.217) 6.644 10.455 ( -6.354 4.854 -2.662) 8.428 11.046 ( 4.556 -2.415 1.487) 5.367 11.128 ( 4.969 -3.465 -0.978) 6.136 11.532 ( 3.822 -2.800 0.303) 4.748 11.544 ( 5.592 0.163 1.020) 5.687 13.081 ( -7.623 -4.272 -0.393) 8.747 13.110 ( -3.960 -1.819 0.206) 4.363 13.206 ( 0.500 3.005 0.877) 3.170 13.266 ( 3.553 -0.195 -0.321) 3.572 13.578 ( -5.680 -4.285 -0.134) 7.117 13.643 ( -0.488 -1.107 0.309) 1.249 13.765 ( 0.276 2.248 -0.350) 2.292 13.964 ( -1.915 0.268 -0.117) 1.937 14.144 ( 9.325 6.573 -0.884) 11.443 14.296 ( 4.502 5.506 1.610) 7.292 14.632 ( -9.732 12.536 -1.939) 15.988 14.839 ( 4.357 12.450 0.706) 13.209 15.378 ( 0.806 8.359 2.339) 8.718 15.399 ( 0.647 10.530 -2.966) 10.959 15.562 ( 1.463 -0.342 -0.197) 1.516 15.656 ( 5.503 2.328 1.221) 6.099 16.506 ( -0.277 1.841 -0.644) 1.970 16.621 ( 4.427 0.199 -1.299) 4.618 16.655 ( 0.972 2.113 -1.880) 2.991 16.706 ( 1.986 -0.536 1.196) 2.380 19.284 ( -6.571 -6.249 0.779) 9.101 19.432 ( 0.579 -5.394 -0.917) 5.502 20.106 ( -3.425 4.773 2.881) 6.543 20.265 ( 4.213 5.216 -3.102) 7.388 21.250 ( -4.003 -3.615 8.108) 9.738 21.423 ( 3.161 -3.992 -6.126) 7.966 23.124 ( -3.181 -3.768 7.104) 8.647 23.321 ( 4.448 0.180 -4.870) 6.598 26.672 ( -1.587 -0.225 -0.014) 1.603 26.722 ( 1.327 0.550 -0.056) 1.438 29.256 ( -9.750 10.923 2.291) 14.820 29.408 ( -4.065 10.330 -4.021) 11.807 29.690 ( 16.890 8.331 8.023) 20.470 29.897 ( 24.450 13.563 -6.412) 28.686 30.767 ( -4.779 1.163 0.255) 4.926 30.834 ( 0.277 1.433 -0.211) 1.475 31.112 ( -6.796 2.088 1.637) 7.295 31.257 ( 0.295 8.009 -1.186) 8.101 32.142 ( 1.048 -0.081 0.592) 1.206 32.167 ( 2.114 1.965 -0.353) 2.908 32.500 ( 0.750 0.110 -2.079) 2.212 32.563 ( 5.898 2.805 -2.718) 7.074 33.714 ( -2.490 -0.692 9.553) 9.896 33.845 ( 1.147 -1.678 -8.675) 8.910 35.674 ( -0.237 0.431 1.984) 2.044 35.701 ( 0.289 1.181 -2.479) 2.761 36.054 ( -4.458 4.933 -7.315) 9.885 36.211 ( 6.735 2.142 2.824) 7.610 36.354 ( -3.099 -0.604 7.214) 7.875 36.510 ( 3.036 -0.028 -6.824) 7.468 38.363 ( -15.602 -23.509 16.703) 32.788 38.644 ( -3.726 -17.468 -10.960) 20.955 ======================= Grid point 163 (79/93) ======================= q-point: (-0.62 0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.811 -0.000 -0.122) 1.815 1.122 ( -1.298 0.000 0.392) 1.356 1.621 ( -3.179 0.000 -2.649) 4.138 1.879 ( 3.137 -0.000 5.181) 6.057 2.056 ( -3.379 0.000 3.326) 4.741 2.266 ( 4.347 -0.000 -5.261) 6.825 2.278 ( -8.124 0.000 -8.849) 12.012 2.364 ( 12.164 -0.000 8.284) 14.717 2.404 ( -0.308 0.000 -3.883) 3.895 2.508 ( -3.316 0.000 0.288) 3.329 2.748 ( 8.795 -0.000 -0.836) 8.835 2.994 ( 0.417 -0.000 -2.478) 2.513 3.036 ( -9.976 0.000 7.929) 12.743 3.226 ( 2.359 -0.000 -4.257) 4.867 3.268 ( -9.290 0.000 -2.842) 9.715 3.324 ( 5.751 -0.000 2.954) 6.466 3.648 ( 0.455 -0.000 10.159) 10.170 3.665 ( 4.923 -0.000 -12.250) 13.202 3.727 ( 2.073 -0.000 -1.110) 2.351 3.812 ( -5.169 0.000 5.253) 7.370 4.092 ( 5.337 -0.000 1.724) 5.608 4.272 ( -3.434 0.000 -1.740) 3.850 4.500 ( -0.888 0.000 5.107) 5.183 4.600 ( 0.546 -0.000 -2.744) 2.798 4.880 ( 7.945 -0.000 -6.455) 10.237 4.881 ( -3.753 0.000 -11.233) 11.843 5.115 ( 1.485 -0.000 0.680) 1.634 5.119 ( -1.349 0.000 12.291) 12.365 5.239 ( 5.119 -0.000 5.076) 7.209 5.304 ( 2.355 -0.000 -1.867) 3.005 5.519 ( 4.881 -0.000 -2.087) 5.308 5.601 ( -3.312 0.000 2.334) 4.052 6.162 ( 2.118 -0.000 -3.785) 4.337 6.188 ( -2.851 0.000 2.049) 3.511 6.449 ( 3.429 -0.000 6.731) 7.555 6.919 ( 6.482 -0.000 -1.080) 6.571 7.041 ( -2.256 0.000 -6.405) 6.790 7.208 ( 5.977 -0.000 -0.183) 5.980 7.293 ( -8.820 0.000 3.931) 9.656 7.387 ( -1.887 0.000 -0.806) 2.052 8.608 ( -1.072 0.000 -2.055) 2.318 8.750 ( -3.191 0.000 -1.803) 3.665 8.846 ( 3.948 -0.000 -6.956) 7.999 9.042 ( -0.986 0.000 5.328) 5.419 9.205 ( -4.304 0.000 -1.975) 4.735 9.274 ( -12.087 0.000 5.320) 13.206 9.422 ( -5.466 0.000 1.043) 5.564 9.438 ( -4.799 0.000 -0.602) 4.837 10.097 ( 10.528 -0.000 -0.018) 10.528 10.097 ( 7.099 0.000 3.333) 7.842 10.380 ( 4.988 -0.000 -5.137) 7.160 10.471 ( -0.521 0.000 3.335) 3.376 11.078 ( -9.227 0.000 0.647) 9.250 11.117 ( -9.283 0.000 -1.450) 9.395 11.499 ( -5.445 0.000 -0.812) 5.506 11.724 ( -7.043 0.000 -0.593) 7.068 12.777 ( 8.886 -0.000 -0.840) 8.926 12.889 ( 7.859 -0.000 0.547) 7.878 13.179 ( 2.177 -0.000 0.331) 2.202 13.338 ( 1.853 -0.000 -0.622) 1.954 13.534 ( 0.051 -0.000 -1.001) 1.002 13.550 ( -0.870 0.000 1.192) 1.476 13.908 ( 3.744 -0.000 0.834) 3.836 13.933 ( -0.804 0.000 -1.179) 1.427 14.380 ( -0.665 0.000 -0.767) 1.015 14.444 ( 6.175 -0.000 2.047) 6.505 14.906 ( -4.289 0.000 1.864) 4.676 14.990 ( 3.114 -0.000 -1.527) 3.468 15.525 ( 1.513 -0.000 -2.317) 2.767 15.577 ( -3.084 0.000 1.361) 3.371 15.780 ( 2.702 -0.000 3.472) 4.400 15.783 ( 5.606 -0.000 -2.756) 6.247 16.590 ( -1.974 0.000 -0.682) 2.088 16.636 ( 1.949 -0.000 0.653) 2.056 16.697 ( -0.575 0.000 2.063) 2.142 16.698 ( -3.490 0.000 -1.267) 3.713 19.137 ( 1.493 -0.000 -4.323) 4.574 19.222 ( -1.513 0.000 2.544) 2.959 20.234 ( 1.283 -0.000 4.872) 5.038 20.447 ( 4.594 -0.000 -5.664) 7.293 21.168 ( -5.094 0.000 7.268) 8.876 21.360 ( 0.360 -0.000 -8.072) 8.080 23.122 ( 2.795 -0.000 -7.387) 7.898 23.249 ( -8.144 0.000 7.478) 11.057 26.682 ( 0.806 -0.000 -0.173) 0.824 26.716 ( -0.500 0.000 0.391) 0.635 29.542 ( 7.031 -0.000 6.003) 9.245 29.680 ( -11.971 0.000 3.403) 12.445 29.728 ( -8.854 0.000 -0.012) 8.854 30.346 ( 18.146 -0.000 -13.091) 22.375 30.853 ( 0.592 -0.000 -0.803) 0.997 30.870 ( -0.242 0.000 0.214) 0.323 31.339 ( 14.794 -0.000 -11.926) 19.003 31.612 ( -7.590 0.000 5.188) 9.194 32.217 ( 0.063 -0.000 -2.907) 2.907 32.248 ( 0.760 -0.000 4.122) 4.192 32.422 ( -4.691 0.000 -3.603) 5.915 32.791 ( -3.606 0.000 3.836) 5.264 33.625 ( -4.218 0.000 5.671) 7.068 33.808 ( 3.115 -0.000 -5.662) 6.463 35.552 ( 2.530 -0.000 4.046) 4.772 35.808 ( 0.894 -0.000 -2.824) 2.962 35.809 ( 2.479 -0.000 11.044) 11.319 36.332 ( -5.343 0.000 6.700) 8.570 36.467 ( 2.133 -0.000 -7.813) 8.099 36.578 ( 1.043 -0.000 -2.742) 2.933 37.850 ( 8.241 -0.000 -15.183) 17.276 37.920 ( -9.316 0.000 14.715) 17.416 ======================= Grid point 165 (80/93) ======================= q-point: (-0.50 0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.009 0.469 0.255) 1.142 1.101 ( -0.782 0.392 0.266) 0.915 1.592 ( 4.866 4.547 -5.008) 8.332 1.831 ( -5.815 8.691 -0.886) 10.494 2.034 ( -6.076 8.102 0.516) 10.141 2.068 ( 0.944 -0.770 5.929) 6.053 2.250 ( -1.190 -3.216 -6.434) 7.291 2.403 ( -4.971 0.926 -4.697) 6.901 2.467 ( 8.394 2.870 -0.506) 8.885 2.645 ( 6.383 -0.549 -0.139) 6.408 2.819 ( -0.824 16.015 8.590) 18.192 2.877 ( 3.459 3.109 1.597) 4.918 3.027 ( -5.840 1.750 1.426) 6.261 3.047 ( -2.920 3.470 -0.504) 4.562 3.282 ( -5.628 -14.164 0.039) 15.242 3.438 ( -0.037 -13.479 -6.972) 15.175 3.685 ( 6.393 3.116 4.432) 8.379 3.738 ( 4.452 -2.962 -0.355) 5.359 3.763 ( 4.387 5.689 -0.247) 7.188 3.963 ( 6.781 -10.428 8.126) 14.858 4.080 ( 0.338 11.581 -1.528) 11.686 4.300 ( 3.256 -8.784 2.490) 9.693 4.508 ( -2.788 -0.559 4.789) 5.569 4.547 ( -6.957 -1.789 -6.918) 9.973 4.716 ( -3.174 -1.093 -10.197) 10.735 4.860 ( -6.306 -1.911 -6.534) 9.280 5.158 ( 1.899 1.370 4.212) 4.819 5.168 ( 2.240 0.421 5.556) 6.006 5.341 ( 4.648 -0.579 2.765) 5.439 5.377 ( 3.634 -2.565 0.096) 4.449 5.519 ( 1.267 5.712 0.371) 5.862 5.590 ( -2.000 -0.936 -0.062) 2.209 6.158 ( 1.755 -0.340 -0.273) 1.808 6.202 ( -0.813 -3.791 -0.451) 3.904 6.554 ( 4.527 0.995 6.917) 8.326 6.935 ( -1.627 1.413 -8.379) 8.652 7.010 ( 3.639 -0.588 -1.896) 4.145 7.162 ( -9.234 -2.307 1.265) 9.602 7.318 ( 5.515 0.888 2.342) 6.057 7.393 ( 2.120 -0.031 0.067) 2.122 8.582 ( 0.054 0.523 -1.378) 1.475 8.674 ( -4.068 0.765 -2.006) 4.600 8.922 ( 7.953 -1.080 -3.773) 8.868 9.044 ( -2.947 -1.107 3.216) 4.500 9.136 ( -3.394 -1.565 -2.710) 4.617 9.185 ( -4.652 -1.195 3.367) 5.866 9.292 ( -7.354 1.437 2.709) 7.967 9.403 ( -2.982 -3.912 -1.016) 5.023 10.175 ( 4.428 6.799 3.261) 8.745 10.246 ( 7.269 2.177 1.277) 7.695 10.395 ( -1.390 2.097 -0.580) 2.582 10.479 ( 1.803 -3.890 -1.807) 4.653 10.957 ( -6.728 -1.812 0.818) 7.016 10.987 ( -5.623 -1.165 -1.727) 5.996 11.438 ( -2.045 -1.047 -0.138) 2.301 11.596 ( -7.533 0.140 -1.600) 7.702 12.931 ( 8.512 -1.442 -0.208) 8.636 13.015 ( 4.968 -1.726 0.098) 5.260 13.234 ( 4.079 0.535 0.960) 4.224 13.359 ( 1.458 1.149 -1.347) 2.294 13.513 ( 0.621 1.185 -0.215) 1.355 13.557 ( -1.543 -2.714 0.402) 3.148 13.915 ( 2.337 2.409 -0.677) 3.424 13.990 ( 4.606 0.137 0.707) 4.662 14.311 ( -5.288 1.826 0.136) 5.596 14.501 ( -2.359 1.960 0.339) 3.086 14.833 ( -0.988 1.648 2.186) 2.910 15.008 ( 0.515 0.404 -2.103) 2.202 15.522 ( -1.781 0.849 0.936) 2.184 15.546 ( -0.155 -0.737 -1.142) 1.368 15.793 ( 2.272 6.441 2.759) 7.366 15.874 ( 4.562 0.086 -2.534) 5.220 16.560 ( -0.462 1.031 -0.257) 1.158 16.630 ( -3.478 -0.115 -0.839) 3.579 16.679 ( 1.404 -0.482 0.831) 1.701 16.700 ( 0.147 0.980 1.039) 1.436 19.161 ( 3.881 -1.245 -3.716) 5.515 19.213 ( -2.913 -2.553 1.692) 4.227 20.270 ( 0.478 2.175 5.661) 6.083 20.465 ( 3.279 1.840 -7.139) 8.069 21.145 ( -4.319 -1.332 7.555) 8.803 21.326 ( 1.512 -0.895 -8.571) 8.750 23.140 ( 1.862 -0.843 -3.844) 4.353 23.158 ( -6.972 -1.761 4.195) 8.325 26.690 ( 1.023 0.829 -0.037) 1.317 26.714 ( -0.754 -0.668 0.249) 1.037 29.514 ( -4.324 2.831 1.383) 5.350 29.543 ( -5.973 0.405 -1.148) 6.095 29.777 ( 3.788 1.348 13.989) 14.555 30.480 ( 9.595 0.296 -21.236) 23.305 30.853 ( 0.183 0.779 -0.360) 0.877 30.862 ( -0.513 0.155 0.203) 0.573 31.452 ( 8.666 4.448 -10.514) 14.333 31.484 ( -6.788 2.622 2.200) 7.602 32.204 ( 1.015 0.954 -2.369) 2.748 32.244 ( -3.617 1.373 0.545) 3.907 32.391 ( 1.854 -0.812 3.849) 4.349 32.698 ( -6.747 1.063 -2.013) 7.121 33.623 ( -1.465 -0.431 7.095) 7.257 33.819 ( 1.896 -1.247 -6.040) 6.452 35.612 ( 1.483 0.219 5.020) 5.239 35.798 ( 0.669 0.341 -4.253) 4.319 35.959 ( 6.035 0.933 15.041) 16.233 36.292 ( -4.408 0.117 6.035) 7.474 36.461 ( 2.299 -0.909 -6.928) 7.356 36.538 ( -1.705 2.354 -4.526) 5.379 37.820 ( -4.119 2.644 10.074) 11.200 37.997 ( 4.649 -12.673 -8.569) 15.989 ======================= Grid point 166 (81/93) ======================= q-point: (-0.38 0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.603 1.042 1.234) 1.724 1.097 ( 0.538 1.353 -0.267) 1.480 1.532 ( -1.181 14.857 2.037) 15.042 1.671 ( 1.245 6.466 -9.438) 11.509 1.919 ( 0.347 13.813 9.925) 17.013 2.111 ( -2.173 0.986 -1.753) 2.961 2.207 ( 2.411 1.479 -2.123) 3.537 2.294 ( -2.110 -1.107 -5.653) 6.135 2.543 ( -1.848 4.915 1.682) 5.513 2.584 ( 2.411 5.910 -3.080) 7.087 2.761 ( 2.826 7.685 6.649) 10.548 2.835 ( -2.013 4.064 0.308) 4.546 2.974 ( -5.327 0.800 1.971) 5.736 3.076 ( 10.848 3.375 -4.436) 12.196 3.342 ( -3.535 -9.189 4.509) 10.829 3.486 ( 1.457 -4.987 -8.047) 9.579 3.739 ( -0.984 2.604 1.858) 3.347 3.770 ( 3.379 5.419 1.550) 6.572 3.828 ( -4.624 -7.625 6.981) 11.325 3.975 ( -1.933 2.955 -2.355) 4.245 4.173 ( 1.853 -6.315 8.596) 10.826 4.385 ( -6.685 -7.587 -9.588) 13.935 4.498 ( -5.171 -4.158 6.002) 8.948 4.529 ( 9.897 -5.014 1.594) 11.208 4.684 ( 1.652 -1.651 -3.458) 4.173 4.737 ( -5.648 -5.483 -6.895) 10.464 5.211 ( 1.978 -0.851 2.538) 3.329 5.228 ( 2.483 -0.276 1.423) 2.875 5.395 ( -4.107 -3.035 1.526) 5.330 5.425 ( 2.512 1.429 -1.934) 3.477 5.504 ( -0.943 3.448 2.223) 4.209 5.531 ( 1.255 3.819 -0.615) 4.067 6.203 ( -3.388 -4.314 0.696) 5.530 6.239 ( 4.807 -4.460 -2.372) 6.974 6.652 ( 3.788 1.600 7.552) 8.598 6.813 ( -4.043 3.087 -8.007) 9.486 7.057 ( -5.158 -2.909 1.321) 6.067 7.103 ( 5.451 -2.926 -2.997) 6.874 7.385 ( 1.453 0.990 2.011) 2.671 7.412 ( -0.709 -0.193 -0.354) 0.816 8.591 ( -0.110 0.382 -0.340) 0.523 8.602 ( 0.285 0.714 -1.688) 1.855 9.024 ( -7.890 0.756 1.061) 7.997 9.044 ( 4.131 0.379 -0.350) 4.163 9.057 ( 2.038 -1.414 2.654) 3.633 9.123 ( 0.071 -3.037 -3.094) 4.335 9.328 ( 0.836 -4.727 3.641) 6.025 9.400 ( 1.230 -3.920 -3.305) 5.272 10.138 ( -3.317 8.927 5.102) 10.804 10.230 ( 2.691 10.027 -3.784) 11.050 10.399 ( -2.618 -2.875 6.834) 7.863 10.536 ( 2.936 -3.012 -6.260) 7.542 10.927 ( -1.180 -3.176 1.405) 3.668 10.958 ( 0.829 -3.218 -1.571) 3.676 11.459 ( 3.163 -0.580 0.886) 3.336 11.490 ( -3.520 -0.331 -2.153) 4.140 13.041 ( 2.410 -2.482 0.615) 3.514 13.054 ( -2.442 -2.726 -0.627) 3.713 13.285 ( 2.251 2.430 1.338) 3.572 13.316 ( -2.198 2.889 -1.744) 4.027 13.546 ( -2.266 -2.921 0.756) 3.773 13.561 ( 2.168 -2.523 -0.580) 3.376 13.959 ( 4.368 2.856 0.765) 5.275 13.974 ( -5.063 2.455 -0.718) 5.672 14.293 ( 7.549 4.436 2.772) 9.184 14.351 ( -7.368 4.032 -2.821) 8.860 14.881 ( 3.284 1.748 4.216) 5.623 14.964 ( -3.101 0.598 -3.767) 4.916 15.503 ( -1.012 -0.129 2.017) 2.260 15.541 ( 0.878 1.418 -1.566) 2.288 15.758 ( -0.572 7.569 3.980) 8.571 15.857 ( 0.782 7.463 -5.431) 9.263 16.566 ( 2.155 0.568 0.444) 2.272 16.580 ( -1.631 0.328 -1.011) 1.947 16.692 ( -0.186 1.251 0.509) 1.363 16.698 ( 0.840 0.784 0.046) 1.150 19.194 ( -4.319 -4.258 1.408) 6.226 19.238 ( 4.354 -3.676 -2.883) 6.386 20.274 ( -1.190 3.877 6.244) 7.445 20.421 ( 1.473 4.467 -8.010) 9.289 21.153 ( -3.191 -2.493 8.032) 8.995 21.322 ( 2.728 -2.167 -8.403) 9.096 23.071 ( -7.830 -2.199 7.391) 10.990 23.211 ( 6.457 -2.220 -6.109) 9.162 26.701 ( -0.788 0.108 0.250) 0.834 26.705 ( 0.841 0.144 -0.141) 0.865 29.454 ( -2.708 0.544 2.281) 3.583 29.503 ( 2.529 0.412 -2.300) 3.443 29.873 ( 1.665 8.823 18.311) 20.394 30.333 ( -2.458 8.652 -26.535) 28.018 30.844 ( -0.589 1.072 0.672) 1.396 30.856 ( 0.489 0.564 -0.457) 0.876 31.319 ( -8.718 4.517 6.284) 11.657 31.488 ( 7.458 6.786 -10.462) 14.530 32.171 ( -3.258 1.580 1.546) 3.937 32.202 ( 1.977 1.736 -1.502) 3.030 32.489 ( 5.378 0.634 4.236) 6.875 32.580 ( -3.274 0.234 -4.881) 5.882 33.661 ( -0.827 -0.761 7.830) 7.910 33.816 ( 1.019 -1.848 -7.051) 7.359 35.657 ( 0.607 0.501 5.312) 5.370 35.768 ( 0.149 0.971 -5.337) 5.426 36.134 ( 6.644 2.354 11.733) 13.687 36.261 ( -3.249 0.772 3.004) 4.492 36.419 ( -3.684 3.022 -4.239) 6.378 36.484 ( 2.697 -0.874 -6.260) 6.872 37.841 ( -8.768 -9.912 18.127) 22.443 38.160 ( 6.890 -14.580 -12.844) 20.616 ======================= Grid point 167 (82/93) ======================= q-point: (-0.25 0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -2.324 3.116 1.584) 4.197 1.091 ( 0.492 1.904 0.342) 1.996 1.404 ( -1.614 8.618 3.421) 9.412 1.543 ( 1.731 11.500 -2.989) 12.008 1.895 ( 8.461 12.358 -1.022) 15.012 2.062 ( 7.919 9.156 -1.261) 12.171 2.227 ( 2.061 4.706 -0.537) 5.165 2.313 ( 2.684 -3.758 -1.478) 4.849 2.404 ( -11.032 0.315 -0.078) 11.037 2.526 ( -1.853 2.891 1.074) 3.598 2.747 ( 3.296 9.694 -3.145) 10.711 2.840 ( 1.863 -3.444 -1.349) 4.142 2.978 ( 8.199 2.924 1.471) 8.828 3.168 ( 7.978 5.096 -2.283) 9.738 3.328 ( -4.216 5.239 3.834) 7.741 3.504 ( 2.325 -0.327 -2.475) 3.412 3.663 ( -5.130 4.657 0.768) 6.971 3.788 ( -8.784 -7.201 2.632) 11.660 3.831 ( 3.210 -3.948 -1.253) 5.241 3.952 ( -5.593 -11.390 4.161) 13.355 4.247 ( -6.965 -3.347 6.978) 10.412 4.334 ( -2.398 -6.772 -2.050) 7.471 4.531 ( -1.014 -6.692 0.808) 6.817 4.636 ( 0.950 -0.255 0.022) 0.984 4.673 ( 0.395 -2.628 -3.520) 4.411 4.818 ( 3.646 -4.732 3.131) 6.744 5.220 ( -3.056 -0.350 0.113) 3.078 5.245 ( -3.632 1.303 -3.476) 5.194 5.319 ( -4.416 -0.729 -1.612) 4.757 5.401 ( -4.611 2.133 -0.099) 5.081 5.444 ( 1.341 0.004 2.974) 3.263 5.589 ( 5.337 1.342 -1.157) 5.623 6.185 ( -4.145 -4.332 0.906) 6.064 6.334 ( 1.728 -5.147 -3.244) 6.325 6.658 ( -5.025 3.280 -7.282) 9.435 6.740 ( 3.068 0.806 7.415) 8.065 7.027 ( -3.361 -2.503 0.317) 4.202 7.211 ( 3.080 -0.853 -1.694) 3.618 7.354 ( -3.029 0.629 1.900) 3.630 7.400 ( 0.732 -2.335 -1.522) 2.882 8.562 ( 0.130 0.083 -0.752) 0.767 8.658 ( 5.148 0.237 -0.688) 5.199 8.912 ( -4.936 -3.030 1.224) 5.920 9.097 ( 1.038 -3.225 2.577) 4.256 9.161 ( 1.504 -1.551 -2.219) 3.097 9.201 ( 11.638 2.055 -0.735) 11.841 9.357 ( 0.652 -4.143 -0.040) 4.194 9.518 ( 5.338 -7.000 -1.094) 8.871 9.982 ( -6.485 9.761 2.915) 12.076 10.162 ( 1.131 8.141 -1.618) 8.377 10.380 ( -5.963 -1.776 3.592) 7.185 10.527 ( -2.135 1.959 -4.212) 5.113 10.993 ( 5.068 -2.691 1.359) 5.897 11.044 ( 5.118 -4.379 -0.860) 6.791 11.484 ( 2.928 -1.991 -1.103) 3.709 11.553 ( 6.890 0.445 1.600) 7.088 12.992 ( -8.626 -4.104 -0.509) 9.566 13.061 ( -3.977 -3.105 0.439) 5.065 13.243 ( -0.288 1.066 -0.768) 1.345 13.291 ( -0.007 2.568 0.729) 2.669 13.513 ( -4.386 -2.120 0.432) 4.891 13.617 ( 0.664 -2.059 -0.177) 2.171 13.838 ( -2.990 4.447 -0.194) 5.363 13.982 ( -2.660 1.111 0.032) 2.883 14.260 ( 5.024 4.938 -1.427) 7.187 14.404 ( 6.653 5.370 1.973) 8.775 14.812 ( -7.563 6.078 -1.384) 9.801 14.949 ( 2.628 1.310 1.217) 3.179 15.506 ( -0.022 0.901 1.114) 1.433 15.529 ( 1.253 3.417 0.356) 3.657 15.659 ( -2.782 8.501 -2.859) 9.391 15.757 ( 1.730 8.554 0.974) 8.781 16.544 ( -0.036 1.659 -1.080) 1.980 16.622 ( 3.418 -0.106 -0.102) 3.421 16.690 ( 0.919 0.027 -0.015) 0.919 16.699 ( 1.162 1.189 -0.944) 1.912 19.171 ( -4.929 -4.848 1.083) 6.998 19.325 ( 2.309 -4.996 -1.598) 5.731 20.217 ( -3.851 6.002 3.803) 8.082 20.362 ( 2.301 4.149 -4.706) 6.683 21.186 ( -2.524 -2.747 8.360) 9.155 21.350 ( 3.597 -3.204 -7.388) 8.820 23.050 ( -4.054 -3.523 7.096) 8.900 23.305 ( 6.760 -1.517 -4.664) 8.352 26.675 ( -1.598 0.513 0.051) 1.680 26.726 ( 1.350 -0.169 -0.103) 1.365 29.410 ( -3.795 5.229 2.479) 6.921 29.535 ( 2.741 3.688 -2.773) 5.367 29.891 ( 2.881 10.161 10.525) 14.910 30.103 ( 6.090 6.072 -11.104) 14.044 30.809 ( -2.405 2.536 0.636) 3.552 30.857 ( 0.434 0.840 -0.344) 1.006 31.177 ( -8.694 4.151 4.872) 10.796 31.443 ( 3.534 9.964 -4.689) 11.566 32.142 ( -0.473 0.300 1.625) 1.719 32.212 ( 2.477 2.341 -0.478) 3.442 32.497 ( -1.084 -0.447 -3.312) 3.513 32.621 ( 8.479 2.841 -0.825) 8.980 33.697 ( -1.923 -0.885 7.963) 8.240 33.807 ( 1.231 -2.039 -7.528) 7.896 35.687 ( -0.206 0.789 3.332) 3.430 35.723 ( 0.023 1.006 -4.286) 4.402 36.159 ( -3.660 5.145 -8.818) 10.845 36.254 ( 4.228 2.156 6.295) 7.884 36.349 ( -2.797 0.267 5.395) 6.083 36.504 ( 3.275 -0.636 -6.011) 6.875 37.931 ( -13.041 -18.909 17.554) 28.910 38.317 ( 3.700 -14.432 -11.787) 18.997 ======================= Grid point 168 (83/93) ======================= q-point: (-0.12 0.38 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.728 2.191 0.255) 3.508 1.065 ( -0.270 2.698 0.100) 2.713 1.317 ( 0.275 3.418 -5.619) 6.582 1.550 ( 6.953 7.196 5.477) 11.407 1.947 ( 14.480 9.409 -10.214) 20.063 2.124 ( -1.704 9.280 -2.011) 9.647 2.182 ( -2.139 -1.690 5.422) 6.069 2.276 ( 10.771 7.039 0.172) 12.868 2.371 ( 1.839 -2.128 -4.579) 5.374 2.550 ( 1.786 -1.751 3.382) 4.206 2.705 ( 5.329 4.603 -4.046) 8.122 2.916 ( 2.374 -5.460 -2.663) 6.523 3.027 ( 1.446 8.213 4.386) 9.422 3.212 ( 3.748 6.733 3.958) 8.663 3.267 ( -0.573 -1.017 2.015) 2.329 3.510 ( 0.831 -0.807 -6.262) 6.368 3.567 ( -3.886 -2.368 -2.383) 5.137 3.743 ( -2.018 0.749 5.329) 5.747 3.906 ( -2.465 -6.208 2.103) 7.002 4.060 ( -1.125 -12.563 5.289) 13.677 4.140 ( -9.160 -4.808 -2.340) 10.606 4.371 ( -2.551 -3.957 2.116) 5.162 4.591 ( 2.185 -2.495 1.581) 3.674 4.672 ( -0.933 -0.314 2.416) 2.609 4.682 ( 1.619 -0.199 2.026) 2.601 4.861 ( -4.285 -2.740 2.279) 5.574 5.028 ( -13.573 4.528 0.135) 14.309 5.161 ( -4.716 -1.153 -5.465) 7.310 5.247 ( -1.904 5.655 1.281) 6.103 5.319 ( -0.496 2.319 -7.284) 7.660 5.495 ( -1.664 -4.016 3.557) 5.617 5.636 ( 3.247 1.349 -1.704) 3.907 6.179 ( -3.068 -5.432 0.302) 6.245 6.324 ( -4.662 -1.856 -3.020) 5.856 6.526 ( -2.899 1.714 -5.360) 6.330 6.798 ( -3.483 0.702 6.049) 7.015 6.954 ( -3.161 2.367 0.101) 3.950 7.166 ( -1.689 0.951 -2.934) 3.517 7.368 ( 0.224 -3.456 2.348) 4.184 7.521 ( 7.936 -4.893 -0.633) 9.345 8.578 ( 1.958 -0.194 -1.344) 2.383 8.730 ( 4.727 1.436 -0.046) 4.941 8.925 ( -2.698 -6.624 2.363) 7.533 9.128 ( -1.357 -0.309 -3.779) 4.027 9.205 ( 6.404 -3.673 1.712) 7.579 9.365 ( 11.016 0.345 -1.376) 11.107 9.461 ( 5.831 -2.513 -0.068) 6.350 9.663 ( 3.911 -8.551 0.132) 9.404 9.800 ( -6.015 9.626 1.794) 11.492 10.067 ( -4.448 3.983 -1.934) 6.276 10.311 ( -8.195 1.506 3.901) 9.200 10.380 ( -3.221 7.285 -4.254) 9.030 11.141 ( 8.238 -2.139 1.341) 8.616 11.168 ( 5.625 -3.418 -0.504) 6.601 11.577 ( 4.714 -2.795 0.340) 5.491 11.668 ( 6.783 1.070 1.695) 7.073 12.866 ( -12.383 -5.264 -0.058) 13.455 13.022 ( -3.405 -3.152 0.086) 4.641 13.263 ( 0.874 3.532 1.089) 3.798 13.295 ( 3.175 -4.251 -1.130) 5.425 13.463 ( -4.076 -1.209 0.346) 4.266 13.651 ( 3.361 -3.325 -0.156) 4.731 13.782 ( -0.668 2.444 -0.969) 2.713 13.930 ( -0.648 1.240 0.559) 1.507 14.293 ( 1.303 4.804 -0.441) 4.996 14.384 ( -2.718 5.174 0.522) 5.868 14.562 ( -10.388 10.353 -0.834) 14.689 15.000 ( 6.206 3.801 0.265) 7.282 15.474 ( 0.373 6.646 0.216) 6.660 15.519 ( 3.308 7.534 -0.119) 8.229 15.581 ( 1.440 -0.993 0.060) 1.750 15.747 ( 1.154 2.042 1.532) 2.802 16.542 ( 2.472 1.719 -0.171) 3.016 16.653 ( 1.565 1.451 -0.140) 2.138 16.709 ( 0.815 -1.018 -0.514) 1.402 16.723 ( 3.288 -0.261 -1.744) 3.731 19.154 ( -3.515 -4.141 1.458) 5.624 19.370 ( -1.385 -3.937 -1.095) 4.314 20.119 ( -2.797 4.903 1.855) 5.942 20.349 ( 2.465 3.013 -1.419) 4.143 21.222 ( -2.574 -2.026 8.400) 9.016 21.400 ( 3.601 -3.481 -6.276) 8.029 23.091 ( -1.312 -4.226 6.477) 7.844 23.373 ( 4.115 1.071 -3.593) 5.567 26.647 ( -1.293 0.148 -0.084) 1.304 26.745 ( 0.995 0.186 -0.086) 1.016 29.231 ( -7.107 9.541 1.039) 11.942 29.481 ( 2.745 8.551 -1.978) 9.196 30.047 ( 16.989 0.316 1.245) 17.037 30.258 ( 10.965 -4.596 8.156) 14.418 30.708 ( -5.832 6.686 0.617) 8.894 30.846 ( -0.168 1.291 -0.203) 1.318 31.037 ( -6.482 2.448 1.899) 7.185 31.363 ( 1.654 11.204 1.360) 11.406 32.162 ( 1.058 -0.677 1.601) 2.035 32.223 ( 1.844 2.487 0.009) 3.096 32.489 ( 1.454 -1.582 -3.485) 4.094 32.696 ( 7.385 5.545 -3.724) 9.957 33.719 ( -2.349 -0.977 7.602) 8.016 33.802 ( 1.521 -1.340 -6.673) 6.974 35.635 ( -2.752 0.924 -4.815) 5.623 35.739 ( 1.473 0.452 2.950) 3.328 35.987 ( -2.773 4.788 -11.616) 12.866 36.314 ( -0.627 -0.652 6.869) 6.928 36.359 ( 1.405 1.588 3.258) 3.887 36.524 ( 3.494 0.105 -5.785) 6.759 37.979 ( -16.315 -19.052 11.691) 27.674 38.385 ( -2.240 -9.730 -9.367) 13.690 ======================= Grid point 173 (84/93) ======================= q-point: ( 0.50 -0.50 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.132 0.000 0.056) 0.144 1.102 ( 0.558 -0.000 -0.302) 0.634 1.709 ( 9.068 0.000 -3.407) 9.687 1.743 ( -6.913 -0.000 -5.783) 9.013 2.020 ( -1.001 0.000 7.295) 7.363 2.165 ( -2.861 0.000 -5.026) 5.783 2.172 ( 3.463 0.000 6.944) 7.760 2.298 ( -4.298 0.000 -5.757) 7.184 2.600 ( 5.589 0.000 1.952) 5.920 2.639 ( -10.234 0.000 -0.295) 10.238 2.893 ( -7.327 0.000 9.978) 12.379 2.946 ( 8.392 0.000 5.189) 9.866 3.036 ( 4.254 -0.000 -4.541) 6.222 3.042 ( -2.748 0.000 -4.982) 5.690 3.220 ( 11.546 0.000 -3.262) 11.997 3.286 ( -3.126 0.000 -7.812) 8.414 3.744 ( -3.865 -0.000 1.249) 4.062 3.746 ( -0.949 0.000 1.813) 2.047 3.985 ( -1.674 0.000 9.183) 9.334 3.998 ( 11.023 0.000 7.063) 13.092 4.138 ( -2.278 0.000 1.488) 2.721 4.236 ( -10.548 0.000 -5.402) 11.850 4.454 ( 12.224 0.000 -1.456) 12.310 4.457 ( -9.168 -0.000 2.099) 9.405 4.666 ( -7.435 0.000 -4.897) 8.903 4.681 ( 3.445 0.000 -5.657) 6.623 5.203 ( 0.199 0.000 2.468) 2.476 5.230 ( 3.713 0.000 0.172) 3.717 5.369 ( -2.872 0.000 4.140) 5.038 5.430 ( 1.873 0.000 -1.543) 2.427 5.556 ( -1.339 0.000 0.896) 1.611 5.570 ( 1.436 0.000 -0.218) 1.452 6.150 ( -0.966 0.000 1.341) 1.653 6.197 ( 2.549 0.000 -3.043) 3.969 6.668 ( 3.108 0.000 8.254) 8.820 6.846 ( -3.633 0.000 -8.917) 9.628 7.026 ( -6.680 0.000 1.810) 6.921 7.076 ( 7.282 0.000 -3.057) 7.897 7.396 ( 1.604 0.000 1.005) 1.893 7.408 ( -1.045 0.000 0.271) 1.080 8.597 ( 2.290 0.000 -0.299) 2.309 8.612 ( -2.455 0.000 -2.018) 3.178 9.016 ( -1.199 0.000 3.525) 3.723 9.051 ( -12.087 0.000 0.002) 12.087 9.053 ( 5.558 -0.000 -0.616) 5.592 9.092 ( 5.878 0.000 -3.295) 6.738 9.278 ( 1.648 0.000 4.777) 5.054 9.362 ( 0.809 0.000 -3.592) 3.682 10.281 ( -1.850 0.000 5.502) 5.804 10.312 ( -2.993 -0.000 6.211) 6.895 10.395 ( -1.146 0.000 -4.016) 4.177 10.449 ( 5.234 -0.000 -5.442) 7.551 10.894 ( -0.335 0.000 1.192) 1.238 10.926 ( 0.381 0.000 -1.904) 1.942 11.453 ( 3.985 0.000 1.002) 4.109 11.486 ( -4.159 0.000 -2.187) 4.699 13.016 ( 2.601 0.000 0.519) 2.652 13.026 ( -2.598 0.000 -0.460) 2.638 13.312 ( 2.874 0.000 1.547) 3.264 13.350 ( -2.851 0.000 -2.106) 3.545 13.513 ( -1.667 0.000 0.993) 1.940 13.533 ( 1.608 0.000 -0.797) 1.795 13.986 ( 4.371 0.000 0.617) 4.414 13.998 ( -5.092 0.000 -0.533) 5.120 14.341 ( 8.019 0.000 2.583) 8.425 14.393 ( -7.833 0.000 -2.506) 8.224 14.895 ( 3.683 0.000 3.743) 5.251 14.968 ( -3.579 0.000 -3.296) 4.866 15.499 ( -1.746 0.000 2.426) 2.989 15.552 ( 1.864 0.000 -2.664) 3.251 15.838 ( -3.102 0.000 4.619) 5.564 15.929 ( 3.389 0.000 -4.192) 5.391 16.575 ( 2.022 -0.000 -0.148) 2.027 16.578 ( -2.049 0.000 -0.540) 2.119 16.706 ( 1.292 -0.000 0.506) 1.388 16.708 ( -0.548 0.000 0.191) 0.580 19.151 ( -4.230 0.000 1.651) 4.541 19.201 ( 4.335 0.000 -3.206) 5.392 20.315 ( -1.029 0.000 6.633) 6.712 20.467 ( 1.373 0.000 -8.004) 8.120 21.128 ( -2.978 0.000 8.032) 8.566 21.300 ( 2.611 0.000 -8.660) 9.045 23.048 ( -8.103 0.000 7.371) 10.954 23.187 ( 6.864 0.000 -6.078) 9.169 26.702 ( -0.627 0.000 0.274) 0.684 26.706 ( 0.673 0.000 -0.148) 0.689 29.460 ( -2.375 0.000 2.208) 3.243 29.507 ( 2.107 0.000 -2.214) 3.056 29.957 ( 1.873 0.000 18.989) 19.082 30.411 ( -1.682 0.000 -24.855) 24.912 30.855 ( -0.424 0.000 0.375) 0.566 30.862 ( 0.441 0.000 -0.213) 0.489 31.367 ( -10.297 0.000 7.155) 12.539 31.558 ( 8.631 0.000 -11.630) 14.483 32.191 ( -3.839 0.000 1.517) 4.128 32.221 ( 2.030 0.000 -1.463) 2.503 32.496 ( 7.762 0.000 4.117) 8.787 32.578 ( -5.717 0.000 -4.023) 6.991 33.653 ( -0.569 0.000 7.218) 7.240 33.797 ( 0.984 0.000 -6.559) 6.633 35.662 ( 0.584 0.000 5.494) 5.525 35.778 ( 0.366 0.000 -5.652) 5.664 36.161 ( 6.462 0.000 13.951) 15.375 36.264 ( -3.396 0.000 4.771) 5.856 36.461 ( 3.143 0.000 -5.591) 6.414 36.467 ( -4.106 -0.000 -6.874) 8.006 37.756 ( -12.175 0.000 12.598) 17.520 38.003 ( 10.164 0.000 -10.993) 14.972 ======================= Grid point 175 (85/93) ======================= q-point: (-0.38 0.50 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.860 1.163 0.010) 1.446 1.111 ( 0.896 0.217 -0.541) 1.068 1.588 ( -2.672 7.396 -4.471) 9.046 1.789 ( 6.360 9.857 0.603) 11.746 2.051 ( -0.355 3.351 3.488) 4.850 2.103 ( 0.126 -2.030 3.685) 4.209 2.211 ( -1.091 -1.482 -6.449) 6.706 2.293 ( 5.047 -1.325 5.315) 7.448 2.455 ( -10.143 2.884 0.976) 10.591 2.621 ( -3.203 0.192 0.647) 3.273 2.824 ( -5.363 8.254 3.425) 10.422 2.967 ( 7.733 8.387 -0.265) 11.411 3.056 ( 8.474 7.562 -2.472) 11.623 3.128 ( 2.918 -6.346 -4.986) 8.582 3.274 ( -2.186 -9.491 -2.348) 10.018 3.435 ( 12.522 -8.709 -6.470) 16.568 3.644 ( -9.877 -3.087 3.825) 11.032 3.714 ( -6.085 -2.718 3.234) 7.408 3.845 ( -12.103 2.649 -3.374) 12.841 3.968 ( -0.832 14.849 5.264) 15.776 4.177 ( -5.854 -3.142 -7.276) 9.853 4.242 ( -1.323 -4.553 9.312) 10.449 4.370 ( 4.624 -8.518 3.567) 10.327 4.608 ( -0.818 -1.074 0.277) 1.378 4.622 ( 3.310 -2.227 -1.196) 4.165 4.747 ( 4.761 -1.938 1.516) 5.360 5.204 ( -1.222 -0.547 -0.947) 1.640 5.280 ( 0.417 1.809 -2.185) 2.867 5.308 ( -3.682 -0.673 2.202) 4.343 5.397 ( -4.022 -0.461 -0.516) 4.081 5.519 ( -1.419 3.510 0.442) 3.812 5.612 ( 4.083 0.367 -1.441) 4.345 6.137 ( -2.405 -0.502 0.773) 2.576 6.241 ( 2.874 -3.507 -3.103) 5.494 6.715 ( -4.652 1.824 -8.282) 9.673 6.753 ( 0.990 0.245 9.000) 9.057 6.983 ( -0.945 -1.314 0.645) 1.742 7.190 ( 7.028 -0.823 -1.843) 7.312 7.363 ( -2.930 -0.089 -1.165) 3.154 7.381 ( -3.325 0.205 0.775) 3.420 8.577 ( 0.142 1.040 -1.155) 1.561 8.654 ( 4.551 -0.551 -0.002) 4.585 8.868 ( -9.718 -1.238 1.292) 9.881 9.061 ( 2.662 -0.133 2.814) 3.875 9.111 ( 4.236 -2.884 -1.361) 5.302 9.232 ( 9.448 0.733 -1.664) 9.622 9.329 ( 2.551 1.403 0.212) 2.919 9.402 ( 4.464 -4.702 -1.476) 6.649 10.162 ( -7.085 8.115 3.505) 11.329 10.284 ( -7.431 -0.282 0.632) 7.463 10.337 ( -1.188 1.005 1.044) 1.874 10.520 ( 2.585 -2.106 -3.624) 4.924 10.955 ( 6.098 -0.958 1.145) 6.278 10.981 ( 6.367 -1.709 -1.370) 6.733 11.456 ( 1.833 -0.798 -1.954) 2.796 11.558 ( 7.506 0.140 1.894) 7.742 12.935 ( -8.879 -1.547 -0.570) 9.031 13.011 ( -4.679 -1.550 0.525) 4.958 13.265 ( -3.830 0.936 -2.013) 4.427 13.326 ( -1.400 0.688 1.790) 2.374 13.501 ( -0.785 0.673 0.739) 1.271 13.570 ( 1.751 -2.211 -0.596) 2.883 13.905 ( -3.315 1.971 0.233) 3.864 13.997 ( -3.488 0.404 0.004) 3.511 14.327 ( 2.710 1.791 -1.418) 3.545 14.486 ( 5.904 2.401 1.746) 6.609 14.888 ( -1.718 1.953 -2.660) 3.720 14.953 ( 0.820 -0.220 2.881) 3.003 15.495 ( -1.045 -0.540 1.843) 2.186 15.569 ( 2.413 0.682 -1.818) 3.098 15.778 ( -4.848 3.231 2.903) 6.509 15.898 ( -1.189 4.202 -3.405) 5.538 16.561 ( 0.312 0.204 -0.451) 0.586 16.621 ( 3.401 0.028 0.181) 3.406 16.687 ( -1.572 0.077 -0.031) 1.574 16.722 ( 1.248 0.594 -0.828) 1.612 19.106 ( -3.683 -1.730 1.526) 4.346 19.254 ( 3.025 -1.986 -2.257) 4.265 20.313 ( -2.715 3.107 5.904) 7.203 20.415 ( -0.346 1.200 -6.854) 6.967 21.148 ( -1.616 -0.985 8.458) 8.667 21.305 ( 3.739 -1.275 -7.972) 8.897 22.999 ( -4.605 -1.462 6.930) 8.448 23.278 ( 7.729 -0.935 -4.721) 9.105 26.689 ( -0.895 0.707 0.065) 1.143 26.718 ( 0.693 -0.547 -0.087) 0.887 29.478 ( 2.756 1.784 2.500) 4.126 29.577 ( 8.054 0.880 -2.143) 8.380 30.033 ( -4.966 3.908 17.252) 18.373 30.156 ( -8.128 0.559 -19.023) 20.694 30.845 ( -0.800 0.920 0.338) 1.266 30.867 ( 0.511 0.243 -0.218) 0.607 31.247 ( -9.606 2.243 7.341) 12.296 31.595 ( 6.001 4.407 -6.657) 9.988 32.154 ( -1.855 0.596 2.450) 3.130 32.248 ( 2.481 1.030 -0.210) 2.695 32.485 ( -2.543 -0.541 -4.738) 5.404 32.662 ( 10.758 1.167 1.426) 10.915 33.683 ( -1.540 -0.413 6.865) 7.048 33.774 ( 1.185 -0.991 -7.063) 7.230 35.700 ( 0.242 0.428 4.866) 4.891 35.737 ( -0.561 0.355 -6.353) 6.388 36.225 ( -2.718 1.279 -4.553) 5.455 36.303 ( 2.823 2.674 6.327) 7.426 36.354 ( -3.161 -0.243 0.380) 3.193 36.490 ( 3.268 -0.544 -3.676) 4.949 37.670 ( -12.903 -7.121 14.399) 20.604 38.119 ( 8.521 -5.292 -10.168) 14.283 ======================= Grid point 176 (86/93) ======================= q-point: (-0.25 0.50 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -3.789 2.753 0.427) 4.703 1.110 ( 0.047 1.778 -0.104) 1.782 1.458 ( 0.129 10.704 -0.779) 10.733 1.782 ( 7.444 14.185 2.269) 16.179 2.072 ( 4.687 2.478 -3.909) 6.587 2.140 ( -0.088 -2.973 4.603) 5.480 2.254 ( -1.494 -6.566 -0.421) 6.747 2.270 ( -4.784 4.980 0.537) 6.927 2.414 ( 6.675 2.082 0.954) 7.057 2.545 ( -1.015 3.064 0.944) 3.363 2.773 ( 0.885 -2.894 3.471) 4.606 2.893 ( 0.238 8.894 -13.039) 15.786 3.127 ( 4.655 6.076 0.079) 7.654 3.172 ( 1.543 -3.037 -1.120) 3.586 3.296 ( -6.513 -8.313 1.434) 10.657 3.535 ( -6.600 2.546 5.029) 8.680 3.618 ( 3.036 0.884 -6.074) 6.848 3.681 ( -1.039 -5.087 2.154) 5.622 3.759 ( -0.344 -10.129 1.764) 10.287 3.869 ( -1.852 4.234 5.018) 6.822 4.079 ( 0.187 -1.986 -8.782) 9.006 4.304 ( -0.900 -3.997 1.891) 4.512 4.547 ( 3.324 -1.345 3.941) 5.328 4.637 ( -2.525 -2.975 -1.955) 4.364 4.657 ( 2.783 -2.104 8.778) 9.446 4.796 ( -4.608 -3.431 3.710) 6.839 5.122 ( -9.309 2.620 0.841) 9.707 5.162 ( -4.390 2.598 -0.988) 5.196 5.319 ( -1.907 -2.216 -4.464) 5.336 5.350 ( 0.456 2.703 -0.613) 2.809 5.463 ( -1.379 2.422 -1.034) 2.972 5.663 ( 4.373 0.536 -2.001) 4.839 6.108 ( -2.461 -1.473 0.623) 2.935 6.276 ( -1.349 -2.808 -2.496) 3.991 6.579 ( -2.689 2.821 -7.225) 8.209 6.801 ( -2.768 -0.254 8.603) 9.041 6.988 ( 0.085 0.854 -1.005) 1.322 7.191 ( -3.650 1.539 -1.400) 4.201 7.339 ( -1.011 0.287 1.866) 2.142 7.420 ( 7.720 -4.700 -1.429) 9.151 8.584 ( 2.258 0.735 -1.134) 2.632 8.740 ( 4.810 -0.496 -0.007) 4.835 8.804 ( -3.483 -5.035 2.359) 6.561 9.122 ( 2.166 0.077 -1.923) 2.898 9.170 ( 3.190 -0.519 0.828) 3.336 9.369 ( 10.461 -0.244 -2.541) 10.768 9.414 ( 7.761 -1.519 0.204) 7.911 9.512 ( 2.454 -6.253 0.729) 6.757 9.980 ( -7.432 8.135 1.704) 11.150 10.135 ( -8.168 2.624 -2.112) 8.835 10.311 ( -5.417 -1.065 3.422) 6.496 10.496 ( -1.218 3.765 -3.102) 5.028 11.103 ( 9.258 -1.448 1.230) 9.451 11.112 ( 7.885 -1.870 -0.710) 8.135 11.527 ( 5.403 -2.143 -0.853) 5.875 11.687 ( 6.893 0.693 2.100) 7.239 12.791 ( -10.727 -2.229 -0.302) 10.961 12.942 ( -5.530 -4.385 0.275) 7.063 13.222 ( -0.783 -2.301 -1.760) 3.001 13.306 ( -0.702 0.902 1.608) 1.973 13.477 ( -0.954 2.243 0.501) 2.488 13.607 ( 0.860 -2.163 -0.584) 2.400 13.850 ( -1.546 3.943 -0.271) 4.243 13.942 ( -1.088 -0.185 0.385) 1.168 14.354 ( 1.509 1.876 0.154) 2.412 14.455 ( -5.018 2.348 -0.780) 5.595 14.781 ( -6.446 10.479 0.264) 12.305 15.015 ( 5.001 -1.479 0.358) 5.227 15.500 ( -0.601 -1.334 0.945) 1.742 15.581 ( 1.044 1.684 0.486) 2.040 15.685 ( -1.147 5.465 -1.324) 5.739 15.807 ( -2.952 3.590 -0.038) 4.648 16.572 ( 2.050 1.081 -0.410) 2.354 16.664 ( 0.372 -0.976 0.391) 1.115 16.678 ( 0.577 -0.485 0.408) 0.857 16.734 ( 2.783 0.638 -2.454) 3.765 19.092 ( -1.590 -2.124 1.717) 3.160 19.299 ( 0.794 -2.977 -1.605) 3.474 20.232 ( -3.627 6.130 1.492) 7.277 20.380 ( -0.147 -0.075 -1.714) 1.722 21.192 ( -1.061 -0.980 8.527) 8.648 21.342 ( 4.380 -2.309 -6.893) 8.487 23.014 ( -1.767 -3.241 6.354) 7.348 23.373 ( 5.916 -0.670 -3.673) 6.995 26.662 ( -1.028 1.270 -0.080) 1.636 26.737 ( 0.713 -0.945 -0.076) 1.186 29.437 ( -4.852 10.895 0.650) 11.944 29.643 ( 5.609 7.575 -2.434) 9.735 29.992 ( 6.851 -6.413 -9.972) 13.693 30.110 ( -4.635 -7.451 15.695) 17.982 30.811 ( -2.072 2.939 1.143) 3.774 30.866 ( 0.190 0.778 -0.296) 0.854 31.102 ( -9.592 3.536 5.261) 11.498 31.581 ( 4.043 9.449 -1.127) 10.339 32.152 ( 0.076 -0.132 2.301) 2.306 32.268 ( 1.474 1.810 0.401) 2.368 32.454 ( 0.733 -1.729 -4.027) 4.443 32.800 ( 9.462 4.495 -2.376) 10.741 33.697 ( -2.544 -1.082 6.561) 7.120 33.773 ( 2.421 -1.412 -6.514) 7.091 35.657 ( -2.529 1.159 -5.957) 6.575 35.741 ( 0.827 -0.185 3.284) 3.392 36.076 ( -2.843 3.826 -15.304) 16.029 36.300 ( -3.011 -0.381 7.744) 8.318 36.398 ( 1.901 1.524 4.449) 5.073 36.520 ( 3.191 -0.143 -4.029) 5.142 37.657 ( -12.778 -12.579 14.544) 23.088 38.229 ( 5.834 -5.662 -9.612) 12.589 ======================= Grid point 177 (87/93) ======================= q-point: (-0.12 0.50 -0.60) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -1.510 2.147 -0.072) 2.626 1.085 ( -0.092 2.262 0.215) 2.274 1.421 ( 5.703 7.355 4.018) 10.137 1.762 ( 5.453 9.303 -1.724) 10.920 2.003 ( -8.303 2.212 -3.399) 9.240 2.056 ( -4.336 3.677 -8.553) 10.271 2.166 ( -4.799 -0.696 0.003) 4.849 2.369 ( -1.469 3.780 -6.008) 7.248 2.527 ( 12.337 -8.456 6.182) 16.184 2.635 ( 8.578 1.969 6.059) 10.685 2.760 ( 0.346 1.650 -4.343) 4.659 2.903 ( 4.982 -5.108 1.847) 7.371 3.084 ( -0.861 4.422 0.531) 4.536 3.209 ( -7.413 -7.079 -5.385) 11.579 3.252 ( -0.817 -2.033 6.814) 7.158 3.457 ( -3.390 6.992 7.326) 10.679 3.592 ( 5.935 5.600 -3.842) 9.019 3.770 ( 0.014 -6.968 -3.910) 7.990 3.810 ( -2.897 -3.159 7.434) 8.581 3.945 ( 2.803 -8.372 -0.110) 8.830 4.116 ( 8.012 0.956 -6.438) 10.323 4.347 ( 4.379 -1.930 -2.098) 5.225 4.572 ( -7.458 -2.755 -0.279) 7.956 4.599 ( -0.146 -2.528 1.248) 2.823 4.675 ( -11.787 -1.072 5.351) 12.990 4.794 ( -0.850 -0.930 3.153) 3.396 4.984 ( -2.814 6.851 8.196) 11.047 5.066 ( -2.657 1.012 -3.118) 4.220 5.249 ( -2.683 0.990 -4.052) 4.959 5.312 ( -0.725 2.937 -1.605) 3.425 5.414 ( -3.961 -2.359 -2.008) 5.028 5.709 ( 3.789 1.796 -1.802) 4.564 6.107 ( -0.599 -2.989 0.259) 3.060 6.226 ( -4.059 -0.370 -1.357) 4.295 6.499 ( 0.188 2.793 -4.607) 5.391 6.740 ( -6.761 2.517 3.073) 7.841 6.987 ( 1.586 1.581 2.828) 3.607 7.130 ( -1.301 -0.424 -3.265) 3.540 7.365 ( 1.370 -0.776 1.805) 2.396 7.592 ( 6.656 -4.816 0.180) 8.217 8.599 ( 1.102 0.250 -1.292) 1.716 8.781 ( 0.065 -0.443 1.279) 1.355 8.868 ( 1.833 -3.572 1.083) 4.158 9.112 ( 2.083 0.910 -3.612) 4.268 9.287 ( 7.151 -3.460 1.028) 8.010 9.504 ( 6.245 -0.731 -0.766) 6.334 9.533 ( 3.888 -0.712 0.056) 3.953 9.652 ( 6.462 -7.991 0.027) 10.277 9.807 ( -4.992 7.252 1.160) 8.881 9.968 ( -7.128 2.499 -2.707) 8.024 10.171 ( -13.166 3.467 2.516) 13.845 10.434 ( 0.950 3.584 -1.764) 4.106 11.236 ( 5.624 -1.631 -0.232) 5.861 11.255 ( 6.224 -0.762 1.211) 6.386 11.626 ( 4.191 -2.045 0.341) 4.676 11.771 ( 3.114 1.094 1.415) 3.591 12.652 ( -7.966 -1.260 0.013) 8.065 12.958 ( 0.409 -4.822 0.091) 4.840 13.251 ( 0.036 -4.636 -0.886) 4.720 13.320 ( 1.669 -0.089 0.548) 1.759 13.436 ( -1.080 2.317 0.216) 2.565 13.661 ( 3.041 -4.870 -0.778) 5.794 13.793 ( 0.495 1.721 -0.403) 1.836 13.961 ( 1.693 0.179 0.976) 1.962 14.306 ( -4.607 5.074 -0.855) 6.907 14.345 ( -4.690 3.479 -0.310) 5.848 14.496 ( -11.443 10.987 0.620) 15.876 15.105 ( 3.969 -1.219 -0.264) 4.161 15.501 ( -1.007 -0.687 0.446) 1.298 15.586 ( -1.167 1.572 -0.007) 1.958 15.633 ( 3.837 4.317 -0.830) 5.835 15.751 ( -2.299 0.451 0.952) 2.529 16.598 ( 2.354 0.817 0.259) 2.505 16.668 ( -1.831 -2.418 0.000) 3.033 16.702 ( 1.875 1.075 0.971) 2.369 16.763 ( 2.994 0.271 -3.123) 4.334 19.118 ( 0.928 -1.546 1.995) 2.689 19.312 ( -0.935 -1.961 -1.511) 2.647 20.133 ( -2.381 4.650 0.721) 5.273 20.377 ( 0.193 -0.304 -0.467) 0.590 21.232 ( -1.369 -0.218 8.245) 8.361 21.393 ( 3.822 -2.298 -6.163) 7.607 23.077 ( -0.102 -4.451 6.034) 7.498 23.415 ( 2.334 1.225 -3.556) 4.426 26.636 ( -0.659 0.963 -0.133) 1.175 26.754 ( 0.433 -0.635 -0.071) 0.772 29.223 ( -5.976 8.792 0.058) 10.631 29.595 ( 0.655 8.015 -0.916) 8.094 30.205 ( 10.594 -12.289 -6.332) 17.417 30.300 ( 2.530 -10.714 14.810) 18.454 30.713 ( -5.260 6.519 1.576) 8.524 30.856 ( 0.149 1.259 -0.470) 1.352 30.978 ( -4.533 1.253 1.685) 4.996 31.534 ( 2.949 11.853 2.761) 12.522 32.181 ( 0.831 -1.004 2.289) 2.634 32.263 ( 0.198 1.869 0.104) 1.882 32.485 ( 2.668 -1.960 -1.862) 3.799 32.824 ( 4.166 6.676 -6.919) 10.479 33.711 ( -3.238 -2.002 7.272) 8.208 33.795 ( 4.311 -0.191 -6.081) 7.456 35.564 ( -2.958 0.914 -5.208) 6.059 35.777 ( 1.074 -0.272 2.228) 2.488 35.912 ( -1.843 3.167 -13.684) 14.166 36.311 ( -2.953 -1.146 8.124) 8.719 36.420 ( 0.364 1.402 2.591) 2.969 36.548 ( 3.680 -0.068 -5.156) 6.335 37.672 ( -11.483 -12.024 12.691) 20.916 38.285 ( 3.722 -1.856 -8.747) 9.685 ======================= Grid point 183 (88/93) ======================= q-point: (-0.38 -0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -2.523 0.000 -0.327) 2.544 1.128 ( 0.962 -0.000 -0.055) 0.964 1.623 ( 5.874 -0.000 -4.021) 7.119 1.962 ( 1.702 -0.000 0.291) 1.727 2.034 ( -4.469 0.000 8.237) 9.372 2.125 ( -0.515 0.000 6.498) 6.518 2.166 ( 4.059 -0.000 -4.988) 6.431 2.364 ( -3.416 0.000 0.472) 3.449 2.399 ( 4.222 -0.000 7.106) 8.265 2.503 ( -9.249 0.000 -2.024) 9.468 2.800 ( -5.313 0.000 -0.041) 5.313 3.075 ( 1.856 -0.000 -10.563) 10.725 3.138 ( -4.506 0.000 2.868) 5.341 3.166 ( 10.985 -0.000 -6.698) 12.866 3.243 ( 4.242 -0.000 0.696) 4.299 3.431 ( -11.437 0.000 7.110) 13.467 3.485 ( 4.301 -0.000 -9.933) 10.824 3.690 ( 1.834 -0.000 2.328) 2.964 3.705 ( -4.517 0.000 1.101) 4.650 4.045 ( -3.070 0.000 -4.005) 5.046 4.069 ( 1.331 -0.000 -4.113) 4.323 4.191 ( 1.923 -0.000 5.383) 5.717 4.540 ( 4.092 -0.000 5.137) 6.567 4.594 ( -3.080 0.000 -2.287) 3.836 4.633 ( 4.265 -0.000 9.545) 10.455 4.755 ( -5.049 0.000 3.674) 6.244 5.136 ( -7.020 0.000 0.090) 7.021 5.214 ( -5.591 0.000 5.291) 7.698 5.286 ( -4.100 0.000 -2.976) 5.066 5.359 ( 2.163 -0.000 -7.167) 7.486 5.513 ( -1.415 0.000 -0.824) 1.637 5.661 ( 4.666 -0.000 -2.939) 5.514 6.105 ( -2.933 0.000 1.791) 3.437 6.239 ( 1.120 -0.000 -2.891) 3.101 6.610 ( -2.554 0.000 -8.277) 8.662 6.796 ( -3.177 0.000 9.608) 10.120 6.994 ( 2.284 -0.000 -0.841) 2.434 7.210 ( -3.829 0.000 -0.755) 3.903 7.355 ( 0.069 -0.000 2.168) 2.169 7.363 ( 5.467 -0.000 -2.364) 5.956 8.595 ( 2.025 -0.000 -1.271) 2.391 8.728 ( 4.950 -0.000 0.308) 4.959 8.752 ( -4.540 0.000 2.321) 5.099 9.139 ( 2.804 -0.000 -3.908) 4.810 9.153 ( 5.179 -0.000 3.019) 5.994 9.357 ( 10.358 -0.000 -2.691) 10.702 9.425 ( 5.209 -0.000 0.761) 5.264 9.431 ( 3.298 -0.000 0.130) 3.301 10.078 ( -10.738 0.000 1.289) 10.815 10.154 ( -7.406 0.000 -0.326) 7.413 10.296 ( -4.620 0.000 1.671) 4.913 10.528 ( 0.238 -0.000 -2.048) 2.062 11.089 ( 9.665 -0.000 1.214) 9.741 11.097 ( 8.924 -0.000 -1.163) 8.999 11.503 ( 5.557 -0.000 -1.389) 5.728 11.694 ( 7.025 -0.000 2.259) 7.380 12.774 ( -8.559 0.000 -0.474) 8.572 12.890 ( -8.118 0.000 0.404) 8.128 13.202 ( -2.473 0.000 -1.916) 3.128 13.312 ( -1.535 0.000 1.823) 2.384 13.516 ( 0.265 -0.000 0.721) 0.768 13.572 ( 0.756 -0.000 -0.906) 1.180 13.909 ( 1.192 -0.000 1.078) 1.607 13.923 ( -4.362 0.000 -0.697) 4.417 14.372 ( 0.705 -0.000 0.117) 0.715 14.478 ( -6.102 0.000 -1.064) 6.194 14.941 ( 4.597 -0.000 -1.596) 4.866 14.947 ( -2.853 0.000 2.593) 3.855 15.485 ( -0.928 0.000 1.468) 1.737 15.597 ( 1.097 -0.000 -0.709) 1.306 15.736 ( -3.408 0.000 1.839) 3.873 15.850 ( -4.071 0.000 -3.128) 5.134 16.582 ( 2.011 -0.000 0.100) 2.014 16.646 ( -2.432 0.000 -0.358) 2.458 16.678 ( 2.701 -0.000 0.841) 2.829 16.741 ( 2.209 -0.000 -2.071) 3.028 19.072 ( -0.858 0.000 1.946) 2.127 19.267 ( 1.584 -0.000 -1.940) 2.504 20.325 ( -2.949 0.000 5.952) 6.642 20.351 ( -2.158 0.000 -6.392) 6.747 21.183 ( -0.435 0.000 8.831) 8.842 21.318 ( 4.619 -0.000 -7.292) 8.632 22.980 ( -2.157 0.000 6.197) 6.562 23.364 ( 6.515 -0.000 -3.733) 7.509 26.682 ( -0.584 0.000 -0.147) 0.603 26.720 ( 0.287 -0.000 0.008) 0.288 29.585 ( 4.621 -0.000 1.668) 4.913 29.736 ( 11.184 -0.000 -1.819) 11.331 29.872 ( -8.805 0.000 -13.977) 16.519 30.032 ( -10.163 0.000 16.186) 19.112 30.835 ( -1.562 0.000 0.771) 1.742 30.875 ( 0.347 -0.000 -0.186) 0.394 31.142 ( -10.723 0.000 6.636) 12.610 31.681 ( 5.199 -0.000 -1.829) 5.511 32.154 ( -0.573 0.000 2.905) 2.961 32.285 ( 0.993 -0.000 0.244) 1.022 32.435 ( 0.711 -0.000 -4.118) 4.179 32.848 ( 10.580 -0.000 -1.675) 10.712 33.685 ( -3.151 0.000 6.227) 6.979 33.757 ( 3.067 -0.000 -6.798) 7.458 35.671 ( -2.313 0.000 -7.291) 7.649 35.737 ( 0.387 -0.000 4.213) 4.231 36.116 ( -2.803 0.000 -16.883) 17.114 36.299 ( -3.779 0.000 7.542) 8.435 36.409 ( 2.633 -0.000 3.377) 4.282 36.522 ( 2.265 -0.000 -1.101) 2.518 37.528 ( -11.634 0.000 15.868) 19.676 38.173 ( 8.750 -0.000 -9.771) 13.116 ======================= Grid point 184 (89/93) ======================= q-point: (-0.25 -0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.217 2.625 0.408) 2.922 1.127 ( -0.281 1.460 -0.295) 1.516 1.642 ( 5.353 14.415 2.197) 15.533 1.850 ( -8.778 -0.613 -4.339) 9.811 2.024 ( -10.834 -1.437 1.490) 11.031 2.087 ( -8.846 -4.752 -1.531) 10.158 2.239 ( -2.378 3.531 -0.324) 4.269 2.284 ( 8.311 -0.245 -0.223) 8.318 2.448 ( 1.160 1.630 5.934) 6.262 2.593 ( 9.701 -9.798 4.165) 14.403 2.768 ( 1.082 -2.749 -5.455) 6.203 2.930 ( 2.554 12.415 -3.405) 13.125 3.089 ( -6.989 -3.495 1.523) 7.961 3.227 ( 0.210 6.326 0.383) 6.341 3.264 ( -4.229 5.493 6.412) 9.443 3.414 ( 2.883 -12.394 -0.144) 12.726 3.531 ( -1.008 -13.027 -6.789) 14.725 3.711 ( 7.340 5.765 -2.807) 9.747 3.805 ( 7.443 -1.731 2.046) 7.911 3.943 ( -1.434 8.267 3.319) 9.023 4.133 ( 11.491 0.399 -10.050) 15.271 4.296 ( 4.035 -3.925 2.294) 6.079 4.503 ( -9.642 -2.907 2.028) 10.273 4.560 ( -0.867 -1.272 2.208) 2.692 4.657 ( -8.523 -0.341 2.484) 8.884 4.761 ( -2.301 -1.521 7.005) 7.528 5.060 ( -1.956 1.332 7.255) 7.631 5.136 ( -4.305 4.683 1.863) 6.628 5.211 ( -4.273 -2.942 -3.478) 6.246 5.301 ( -3.834 -2.399 -7.879) 9.085 5.461 ( -1.553 3.636 -2.307) 4.578 5.721 ( 4.287 -0.195 -3.668) 5.645 6.080 ( -1.300 -0.210 2.601) 2.916 6.219 ( -2.202 -0.279 -1.351) 2.598 6.547 ( 1.520 1.593 -7.095) 7.429 6.769 ( -5.570 0.532 5.354) 7.744 7.023 ( 1.926 1.458 1.034) 2.627 7.126 ( -4.353 -0.072 -1.614) 4.643 7.392 ( 4.268 3.357 1.684) 5.685 7.486 ( 6.627 -5.468 0.231) 8.595 8.607 ( 0.359 0.380 -1.113) 1.230 8.762 ( 1.843 -1.176 2.897) 3.630 8.808 ( 3.907 -1.722 -0.233) 4.275 9.137 ( 1.930 0.990 -4.855) 5.317 9.260 ( 6.298 0.255 2.087) 6.639 9.473 ( 1.075 -2.461 0.408) 2.716 9.516 ( 4.546 -0.651 0.546) 4.624 9.542 ( 12.035 -2.252 -1.680) 12.359 9.905 ( -8.697 2.524 0.444) 9.067 10.019 ( -6.768 1.928 -2.211) 7.376 10.213 ( -8.771 0.933 3.403) 9.454 10.478 ( -3.592 1.029 -2.191) 4.331 11.214 ( 5.767 -0.531 -0.438) 5.808 11.243 ( 7.331 -0.387 1.241) 7.445 11.594 ( 5.371 -0.978 -0.455) 5.478 11.788 ( 3.136 0.519 1.912) 3.709 12.676 ( -2.150 3.097 -0.244) 3.778 12.838 ( -0.611 -6.116 0.130) 6.148 13.176 ( -0.521 -1.962 -1.185) 2.350 13.307 ( -0.442 -0.657 1.204) 1.441 13.502 ( -0.175 3.349 0.351) 3.372 13.589 ( 0.403 -2.893 -0.765) 3.020 13.850 ( -2.039 2.940 -0.219) 3.585 13.944 ( 0.506 -1.568 0.509) 1.725 14.344 ( -3.467 0.670 -0.199) 3.537 14.376 ( -3.684 0.426 -0.728) 3.779 14.780 ( -9.375 14.436 0.434) 17.219 15.014 ( -1.726 -8.235 -0.194) 8.416 15.481 ( -1.702 -0.386 1.249) 2.146 15.593 ( -0.648 -0.008 0.109) 0.658 15.709 ( -0.026 1.639 0.243) 1.657 15.767 ( -2.873 1.088 -1.499) 3.418 16.604 ( -0.796 0.013 0.054) 0.798 16.626 ( 0.680 -1.346 0.081) 1.510 16.717 ( 1.299 0.304 1.345) 1.894 16.771 ( 3.805 0.398 -3.278) 5.039 19.100 ( 2.405 -0.342 2.373) 3.395 19.280 ( 0.873 -1.024 -2.052) 2.454 20.239 ( -2.942 5.459 -1.444) 6.367 20.340 ( -2.066 -3.360 1.166) 4.113 21.234 ( -0.206 0.267 8.935) 8.942 21.357 ( 4.790 -1.146 -6.642) 8.269 23.005 ( -0.828 -2.288 5.951) 6.429 23.423 ( 3.503 -0.038 -3.695) 5.092 26.664 ( -0.437 1.521 -0.216) 1.597 26.731 ( 0.172 -1.318 0.018) 1.329 29.432 ( -9.380 10.617 -4.218) 14.781 29.763 ( -5.702 7.067 1.532) 9.208 29.921 ( 6.619 -12.102 3.154) 14.150 30.106 ( 8.339 -8.625 3.449) 12.483 30.788 ( -5.859 1.568 2.468) 6.548 30.873 ( 0.080 0.485 -0.373) 0.617 31.006 ( -8.302 1.081 3.961) 9.262 31.726 ( 4.341 5.989 0.677) 7.428 32.170 ( 0.266 -0.068 2.857) 2.870 32.279 ( -0.852 -0.192 -1.218) 1.499 32.459 ( 3.016 -0.581 -0.725) 3.156 32.931 ( 4.838 3.401 -8.013) 9.959 33.670 ( -4.185 -1.585 6.323) 7.747 33.791 ( 5.778 -0.155 -5.715) 8.129 35.580 ( -2.854 0.581 -6.316) 6.956 35.768 ( 0.554 -0.402 2.704) 2.789 35.960 ( -2.077 1.458 -17.166) 17.352 36.299 ( -3.271 -0.213 9.196) 9.763 36.441 ( -1.187 0.549 3.461) 3.700 36.546 ( 3.103 -0.047 -4.004) 5.066 37.499 ( -8.575 -4.883 18.072) 20.591 38.260 ( 9.333 -0.638 -10.256) 13.881 ======================= Grid point 185 (90/93) ======================= q-point: (-0.12 -0.38 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 1.164 4.107 -0.351) 4.284 1.097 ( -0.970 0.875 -0.645) 1.457 1.560 ( -10.484 1.188 2.183) 10.774 1.713 ( -11.994 -5.603 -2.043) 13.395 1.763 ( -5.824 0.023 -6.686) 8.867 1.999 ( 0.326 7.540 -1.483) 7.692 2.196 ( 1.278 3.896 1.384) 4.328 2.320 ( -7.660 5.051 1.962) 9.383 2.532 ( 2.698 -12.787 -3.078) 13.426 2.777 ( 3.339 -0.730 -1.244) 3.637 2.864 ( 4.725 2.950 8.211) 9.922 2.933 ( -0.004 0.284 -1.059) 1.096 3.056 ( -1.082 -1.669 -2.688) 3.344 3.093 ( 0.463 2.152 7.500) 7.817 3.292 ( 1.897 -0.979 5.639) 6.030 3.483 ( -4.048 0.202 0.020) 4.053 3.573 ( -4.215 -12.632 -6.756) 14.932 3.773 ( -3.552 7.325 2.660) 8.565 3.854 ( 20.263 5.126 -4.537) 21.388 4.024 ( 6.106 0.833 1.508) 6.345 4.237 ( 7.779 1.613 -5.195) 9.492 4.376 ( -5.591 -3.183 0.836) 6.488 4.457 ( 4.926 -5.362 2.643) 7.746 4.522 ( -7.955 3.274 3.226) 9.188 4.602 ( 3.267 -1.506 0.839) 3.693 4.737 ( -2.884 -4.983 0.020) 5.758 5.035 ( -3.539 3.986 3.333) 6.287 5.068 ( -0.512 2.189 -0.015) 2.248 5.188 ( -2.548 -2.940 -2.557) 4.656 5.255 ( -0.341 -5.394 -1.197) 5.536 5.374 ( -1.280 5.642 -0.831) 5.845 5.736 ( 0.462 -0.332 -4.099) 4.138 6.110 ( 2.013 -0.943 2.978) 3.717 6.180 ( -1.156 0.663 -0.060) 1.334 6.518 ( 1.604 3.570 -4.532) 5.989 6.703 ( -2.021 1.696 0.421) 2.671 7.035 ( -0.554 0.903 2.628) 2.833 7.072 ( -1.905 -1.116 -1.703) 2.788 7.429 ( 3.202 3.763 1.308) 5.112 7.633 ( 3.692 -4.142 0.956) 5.631 8.595 ( -0.858 -0.182 -0.450) 0.985 8.813 ( 3.196 1.091 -0.881) 3.490 8.867 ( 0.140 -1.601 1.936) 2.516 9.145 ( 3.146 0.610 -3.855) 5.013 9.375 ( 6.395 -2.037 0.736) 6.752 9.518 ( -0.944 -1.516 -0.067) 1.787 9.553 ( -0.522 -0.799 0.396) 1.033 9.696 ( 1.747 -3.092 -1.412) 3.822 9.806 ( 0.262 2.165 0.612) 2.265 9.928 ( 0.783 2.539 -1.016) 2.844 10.030 ( -9.505 4.557 2.252) 10.779 10.400 ( -4.808 -2.254 -1.785) 5.602 11.279 ( 1.126 -1.200 0.158) 1.653 11.314 ( 0.364 0.113 0.903) 0.980 11.674 ( 3.044 -0.758 0.425) 3.166 11.800 ( -1.572 0.981 1.022) 2.116 12.651 ( 5.276 5.789 -0.112) 7.833 12.944 ( 4.027 -5.146 -0.063) 6.535 13.209 ( 0.893 -4.095 -0.517) 4.223 13.324 ( -0.274 -2.045 0.475) 2.117 13.461 ( 0.148 4.238 -0.189) 4.245 13.649 ( 2.532 -5.018 -0.274) 5.627 13.827 ( 3.044 -0.723 0.228) 3.137 13.958 ( -1.295 -2.570 -0.034) 2.878 14.271 ( -3.386 3.577 -0.798) 4.989 14.332 ( -4.323 6.991 0.433) 8.231 14.433 ( -9.069 10.315 0.032) 13.735 15.053 ( -4.391 -9.665 -0.094) 10.616 15.445 ( -4.492 -2.111 0.860) 5.037 15.574 ( -1.311 0.490 -0.583) 1.516 15.709 ( 2.305 2.558 -1.803) 3.887 15.721 ( -2.297 0.070 1.891) 2.976 16.589 ( -2.177 -1.900 0.513) 2.935 16.654 ( 1.218 -0.444 -0.354) 1.344 16.729 ( -0.619 0.145 1.626) 1.746 16.800 ( 3.524 1.921 -3.927) 5.615 19.170 ( 4.298 0.855 1.787) 4.732 19.291 ( 1.288 -0.657 -2.053) 2.511 20.140 ( -2.166 4.130 -0.785) 4.729 20.349 ( -1.350 -3.045 0.296) 3.344 21.274 ( -0.711 1.450 8.503) 8.655 21.399 ( 3.806 -1.034 -6.215) 7.361 23.072 ( 0.354 -4.572 5.975) 7.532 23.425 ( 0.607 1.086 -4.276) 4.454 26.643 ( -0.041 1.626 -0.169) 1.635 26.746 ( -0.124 -1.343 -0.013) 1.349 29.201 ( -5.927 6.062 -1.217) 8.565 29.581 ( -9.821 2.799 1.445) 10.314 30.196 ( 6.403 -14.022 5.575) 16.391 30.339 ( 5.288 -4.128 1.544) 6.884 30.661 ( -4.925 -0.089 0.077) 4.927 30.868 ( 0.708 0.732 -0.932) 1.380 30.946 ( -1.157 -0.121 1.025) 1.550 31.696 ( 2.111 11.088 -1.221) 11.353 32.194 ( 0.096 -0.774 2.048) 2.191 32.263 ( -0.836 -0.361 -0.429) 1.007 32.509 ( 2.052 -0.864 0.726) 2.342 32.838 ( -2.101 4.459 -13.613) 14.478 33.665 ( -4.163 -2.820 6.111) 7.914 33.854 ( 6.170 0.833 -5.312) 8.185 35.508 ( -1.363 0.571 -3.406) 3.713 35.794 ( 0.482 -0.656 0.816) 1.153 35.822 ( -2.174 1.214 -10.996) 11.274 36.309 ( -2.905 -0.489 8.723) 9.207 36.418 ( -3.265 -0.392 2.648) 4.222 36.569 ( 3.116 -0.113 -5.768) 6.557 37.565 ( -4.087 -4.394 20.189) 21.062 38.347 ( 10.473 2.522 -10.034) 14.722 ======================= Grid point 192 (91/93) ======================= q-point: (-0.25 -0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.329 -0.000 0.420) 1.394 1.106 ( -2.764 0.000 -1.602) 3.194 1.563 ( -18.796 0.000 -1.956) 18.897 1.648 ( -25.121 0.000 -2.371) 25.233 1.872 ( 4.215 -0.000 -0.014) 4.215 1.990 ( 0.132 -0.000 1.191) 1.199 2.261 ( 1.213 -0.000 -0.067) 1.214 2.263 ( -3.030 0.000 -2.412) 3.873 2.523 ( -4.615 0.000 1.078) 4.739 2.768 ( 5.344 -0.000 -4.842) 7.211 2.772 ( 6.415 -0.000 12.008) 13.614 3.019 ( 5.568 -0.000 0.010) 5.568 3.080 ( -4.465 0.000 0.688) 4.517 3.203 ( 0.506 -0.000 9.000) 9.015 3.267 ( -3.670 0.000 -5.229) 6.388 3.303 ( -0.586 0.000 9.663) 9.681 3.475 ( 1.923 -0.000 -14.478) 14.605 3.830 ( 3.435 -0.000 -5.478) 6.465 4.001 ( 12.343 -0.000 3.594) 12.856 4.045 ( 14.784 -0.000 -3.240) 15.135 4.254 ( 7.020 -0.000 -3.397) 7.799 4.295 ( -16.920 0.000 8.077) 18.749 4.386 ( 7.667 -0.000 2.481) 8.058 4.578 ( -0.849 0.000 -1.657) 1.862 4.585 ( 3.439 -0.000 2.541) 4.276 4.666 ( -8.050 0.000 2.339) 8.383 5.097 ( -4.026 0.000 -3.003) 5.023 5.100 ( -6.405 0.000 7.262) 9.683 5.148 ( -4.273 0.000 -11.032) 11.830 5.173 ( 5.261 -0.000 5.258) 7.438 5.445 ( -0.692 0.000 -2.467) 2.562 5.723 ( -0.453 0.000 -4.905) 4.925 6.104 ( 1.687 -0.000 4.366) 4.680 6.189 ( -0.756 0.000 0.344) 0.830 6.559 ( 3.760 -0.000 -6.370) 7.397 6.719 ( -3.560 0.000 1.287) 3.786 7.042 ( -4.491 0.000 -1.150) 4.636 7.067 ( 0.904 -0.000 2.160) 2.342 7.508 ( 3.803 -0.000 -0.788) 3.884 7.550 ( 6.217 -0.000 3.010) 6.907 8.594 ( -1.398 0.000 -0.079) 1.400 8.824 ( -0.492 0.000 -1.487) 1.567 8.852 ( 6.421 -0.000 3.127) 7.142 9.142 ( 2.469 -0.000 -4.859) 5.451 9.376 ( 5.621 -0.000 1.625) 5.851 9.469 ( 1.199 -0.000 0.022) 1.200 9.557 ( -0.667 0.000 0.350) 0.753 9.666 ( 2.807 -0.000 -1.642) 3.252 9.828 ( -0.919 0.000 0.610) 1.103 9.950 ( 0.912 -0.000 -2.924) 3.063 10.098 ( -9.488 0.000 4.439) 10.475 10.366 ( -8.317 0.000 -2.651) 8.730 11.265 ( 1.312 -0.000 0.199) 1.327 11.314 ( 0.800 -0.000 0.902) 1.205 11.665 ( 3.841 -0.000 0.185) 3.846 11.812 ( -1.760 0.000 1.381) 2.237 12.777 ( 9.165 -0.000 -0.194) 9.167 12.824 ( 4.805 -0.000 -0.138) 4.807 13.163 ( 0.944 -0.000 -0.519) 1.077 13.296 ( -1.253 0.000 0.584) 1.383 13.546 ( 2.537 -0.000 0.952) 2.710 13.559 ( -0.188 0.000 -1.104) 1.120 13.848 ( -0.273 0.000 0.600) 0.659 13.913 ( -2.283 0.000 -0.870) 2.444 14.295 ( -2.340 0.000 -0.686) 2.438 14.359 ( 1.024 -0.000 0.527) 1.151 14.764 ( -13.594 0.000 -1.709) 13.701 14.787 ( -8.695 0.000 1.284) 8.789 15.430 ( -5.749 0.000 1.598) 5.967 15.575 ( -1.298 0.000 -0.801) 1.525 15.713 ( -1.140 0.000 2.552) 2.795 15.746 ( 0.613 -0.000 -2.831) 2.897 16.569 ( -2.011 0.000 0.399) 2.050 16.647 ( 1.122 -0.000 -0.365) 1.179 16.730 ( -0.961 0.000 1.667) 1.925 16.822 ( 4.795 -0.000 -4.103) 6.311 19.182 ( 5.589 -0.000 2.854) 6.275 19.281 ( 1.839 -0.000 -3.091) 3.597 20.209 ( -2.323 0.000 -4.559) 5.117 20.294 ( -2.756 0.000 3.716) 4.626 21.292 ( -0.096 0.000 9.522) 9.523 21.386 ( 4.717 -0.000 -6.803) 8.278 23.020 ( -0.411 0.000 6.218) 6.232 23.434 ( 1.129 -0.000 -4.487) 4.627 26.668 ( -0.034 0.000 -0.278) 0.280 26.723 ( -0.147 0.000 0.073) 0.164 29.291 ( -9.677 0.000 -4.451) 10.652 29.610 ( -15.613 0.000 5.961) 16.712 30.034 ( 6.544 -0.000 5.943) 8.840 30.272 ( 16.073 -0.000 -3.833) 16.523 30.669 ( -11.409 0.000 3.534) 11.944 30.875 ( 0.356 -0.000 -0.614) 0.710 30.945 ( -1.917 0.000 1.523) 2.448 31.823 ( 3.715 -0.000 -2.354) 4.398 32.192 ( -0.138 0.000 3.382) 3.385 32.245 ( -1.230 0.000 -2.150) 2.477 32.503 ( 1.840 -0.000 1.487) 2.366 32.889 ( -2.811 0.000 -17.048) 17.279 33.631 ( -4.356 0.000 6.891) 8.152 33.862 ( 6.792 -0.000 -5.671) 8.848 35.515 ( -1.394 0.000 -4.009) 4.244 35.785 ( 0.332 -0.000 1.256) 1.299 35.836 ( -2.412 0.000 -12.797) 13.023 36.305 ( -3.229 0.000 9.670) 10.195 36.413 ( -4.778 0.000 3.415) 5.873 36.567 ( 3.276 -0.000 -5.845) 6.700 37.521 ( -1.938 0.000 23.739) 23.818 38.372 ( 13.048 -0.000 -10.923) 17.017 ======================= Grid point 193 (92/93) ======================= q-point: (-0.12 -0.25 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -3.097 2.469 -1.113) 4.114 1.049 ( -3.501 -0.866 -0.430) 3.632 1.224 ( -18.968 1.883 3.677) 19.412 1.395 ( -15.057 -12.502 7.386) 20.918 1.793 ( -8.495 4.110 -0.056) 9.438 2.014 ( 0.181 1.324 -5.487) 5.647 2.222 ( -2.894 -1.351 3.563) 4.786 2.273 ( -1.628 1.607 3.048) 3.811 2.418 ( -2.949 -3.858 -8.550) 9.833 2.747 ( -7.490 -0.091 -0.812) 7.535 2.777 ( -9.744 -1.240 7.371) 12.281 2.987 ( -3.502 1.439 5.792) 6.920 3.037 ( -2.342 2.682 -7.886) 8.652 3.244 ( -3.132 0.760 -1.927) 3.755 3.336 ( 8.717 7.016 -0.605) 11.206 3.410 ( 1.780 -4.957 4.564) 6.970 3.496 ( 12.610 -9.205 -3.064) 15.910 3.762 ( -3.254 4.185 -3.976) 6.627 4.028 ( -16.057 1.429 11.321) 19.699 4.195 ( 9.966 5.200 -1.634) 11.359 4.289 ( 2.727 -0.456 3.908) 4.787 4.333 ( 12.478 -4.225 -8.010) 15.418 4.544 ( 7.427 6.386 3.535) 10.413 4.575 ( 4.984 0.723 2.452) 5.602 4.667 ( 4.308 -4.084 -1.827) 6.210 4.749 ( 14.208 -3.274 1.132) 14.624 5.020 ( -0.993 1.077 -3.152) 3.475 5.041 ( -2.900 -0.700 -2.498) 3.891 5.070 ( -2.462 -3.524 -0.103) 4.300 5.249 ( 0.447 1.191 -1.796) 2.201 5.453 ( 4.909 2.053 4.171) 6.761 5.669 ( -2.926 -2.121 -5.748) 6.790 6.179 ( 3.937 -0.011 4.858) 6.253 6.204 ( 2.456 0.994 1.694) 3.145 6.565 ( 3.092 4.775 -4.140) 7.035 6.698 ( 1.783 -2.112 -1.940) 3.377 6.977 ( -3.423 -1.408 -1.383) 3.951 7.076 ( -1.004 0.945 2.842) 3.158 7.523 ( 1.912 4.301 -0.129) 4.709 7.644 ( 0.143 -1.793 1.837) 2.571 8.573 ( -1.122 -0.270 0.091) 1.157 8.774 ( -4.552 -1.022 -1.368) 4.861 8.965 ( 6.694 2.114 2.126) 7.335 9.166 ( 2.518 0.004 -3.886) 4.630 9.436 ( 0.003 -0.310 0.213) 0.376 9.480 ( -3.852 0.657 -1.118) 4.064 9.509 ( -3.700 -0.418 0.554) 3.765 9.600 ( -5.173 -2.249 -0.177) 5.643 9.891 ( 6.682 0.886 1.582) 6.924 9.921 ( -6.097 3.937 2.783) 7.773 10.078 ( 9.157 0.959 -2.080) 9.439 10.244 ( -6.428 -5.605 -2.067) 8.775 11.264 ( -1.881 -0.153 0.083) 1.889 11.291 ( -3.734 0.436 0.835) 3.851 11.696 ( -0.668 0.142 0.085) 0.688 11.758 ( -5.116 0.393 0.875) 5.205 12.869 ( 10.916 7.289 -0.354) 13.130 12.985 ( 6.792 -3.615 -0.184) 7.696 13.193 ( 0.974 -1.704 -0.419) 2.007 13.283 ( -1.878 -3.000 0.331) 3.555 13.525 ( 2.237 5.239 -0.590) 5.727 13.656 ( 4.521 -4.278 0.846) 6.281 13.873 ( 4.173 -2.190 0.138) 4.715 13.901 ( -0.483 -3.462 -0.184) 3.500 14.265 ( -4.774 7.623 -0.704) 9.022 14.301 ( -9.159 8.077 0.184) 12.213 14.432 ( -1.772 5.690 0.043) 5.960 14.791 ( -9.504 -18.345 -0.637) 20.670 15.347 ( -5.641 -1.429 1.355) 5.975 15.535 ( -2.922 -0.531 -2.310) 3.762 15.708 ( -1.894 1.002 2.055) 2.969 15.729 ( -0.409 0.251 -1.335) 1.419 16.552 ( -1.120 -0.634 0.870) 1.553 16.646 ( -0.829 -0.591 -1.995) 2.240 16.708 ( -2.997 -0.184 1.507) 3.360 16.847 ( 2.202 2.103 -4.665) 5.571 19.273 ( 4.716 3.052 -1.362) 5.780 19.319 ( 5.058 -1.371 0.008) 5.241 20.133 ( -1.715 2.735 -2.654) 4.180 20.288 ( -2.561 -3.496 0.920) 4.430 21.339 ( -0.193 2.102 8.888) 9.136 21.415 ( 3.878 -0.042 -6.677) 7.722 23.075 ( 0.284 -3.542 6.468) 7.380 23.407 ( -0.060 0.747 -5.335) 5.387 26.661 ( 0.356 1.467 -0.181) 1.521 26.727 ( -0.436 -1.296 0.015) 1.367 29.134 ( -5.691 1.082 -1.445) 5.970 29.407 ( -12.601 -1.192 2.302) 12.864 30.096 ( -13.104 -5.980 10.146) 17.619 30.466 ( 11.312 2.219 -4.747) 12.467 30.605 ( 3.800 -6.339 -2.823) 7.911 30.881 ( 1.331 0.138 -1.830) 2.267 30.951 ( 1.327 -0.286 0.762) 1.557 31.750 ( -4.011 7.788 -15.762) 18.033 32.193 ( -1.200 0.248 1.270) 1.765 32.229 ( -1.584 -1.968 -0.707) 2.623 32.525 ( -0.492 -0.227 1.309) 1.417 32.665 ( -9.132 -0.415 -16.565) 18.920 33.624 ( -3.279 -1.371 7.573) 8.365 33.916 ( 5.165 0.635 -7.140) 8.835 35.496 ( 0.947 0.131 0.061) 0.958 35.746 ( -1.894 0.074 -3.226) 3.741 35.792 ( -0.205 -0.534 -0.478) 0.745 36.315 ( -2.899 -0.128 9.128) 9.578 36.354 ( -5.107 -1.228 2.218) 5.702 36.570 ( 2.036 0.043 -6.836) 7.132 37.728 ( 7.675 1.551 29.470) 30.492 38.523 ( 15.453 3.082 -10.250) 18.798 ======================= Grid point 201 (93/93) ======================= q-point: (-0.12 -0.12 0.40) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 3.35e-04 3.35e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -8.098 0.000 0.294) 8.104 0.952 ( -12.668 0.000 9.399) 15.774 1.140 ( -2.703 0.000 5.879) 6.471 1.220 ( -7.224 0.000 21.901) 23.061 1.489 ( -26.358 0.000 9.303) 27.952 1.989 ( -1.964 0.000 -13.953) 14.091 2.208 ( 0.650 -0.000 -1.935) 2.042 2.244 ( -6.568 0.000 -8.955) 11.106 2.271 ( -1.902 0.000 1.553) 2.456 2.632 ( -8.811 0.000 7.302) 11.443 2.641 ( -11.894 0.000 5.829) 13.246 2.883 ( -5.057 0.000 -17.913) 18.613 2.971 ( -4.994 0.000 7.992) 9.424 3.123 ( -3.304 0.000 -5.084) 6.064 3.460 ( 0.832 -0.000 3.725) 3.817 3.556 ( 5.603 -0.000 -7.143) 9.078 3.596 ( 12.051 -0.000 -0.613) 12.066 3.709 ( -1.041 0.000 -10.886) 10.936 3.824 ( -16.322 0.000 14.609) 21.906 4.309 ( 2.371 -0.000 14.625) 14.815 4.418 ( 3.358 -0.000 -6.851) 7.630 4.451 ( 13.165 -0.000 2.296) 13.363 4.641 ( -0.185 0.000 -1.331) 1.344 4.652 ( 3.771 -0.000 -3.256) 4.982 4.803 ( 6.439 -0.000 -9.896) 11.806 4.965 ( 12.728 -0.000 -4.178) 13.396 5.022 ( 9.904 -0.000 3.377) 10.464 5.071 ( 4.071 -0.000 6.729) 7.864 5.085 ( 6.274 -0.000 3.834) 7.353 5.229 ( -0.077 0.000 -6.912) 6.912 5.562 ( -2.545 0.000 -4.878) 5.503 5.620 ( 10.104 -0.000 6.332) 11.924 6.286 ( 4.752 -0.000 2.961) 5.599 6.294 ( 6.749 -0.000 4.600) 8.168 6.668 ( 6.355 -0.000 -1.312) 6.489 6.698 ( 3.881 -0.000 -1.776) 4.268 6.926 ( 0.162 -0.000 -1.840) 1.847 7.073 ( -2.159 0.000 3.237) 3.891 7.546 ( -0.996 0.000 -1.505) 1.805 7.607 ( -6.011 0.000 2.085) 6.362 8.566 ( 0.644 -0.000 -0.344) 0.730 8.689 ( -4.029 0.000 -0.722) 4.093 9.072 ( 3.410 -0.000 2.251) 4.086 9.173 ( -2.265 0.000 -2.247) 3.191 9.308 ( -11.413 0.000 -0.130) 11.414 9.322 ( -11.890 0.000 0.088) 11.890 9.514 ( 2.912 -0.000 0.335) 2.931 9.616 ( 5.549 -0.000 -1.157) 5.668 9.868 ( -4.476 0.000 1.225) 4.640 9.998 ( 1.573 -0.000 -0.337) 1.609 10.138 ( 2.790 -0.000 1.416) 3.129 10.251 ( 11.582 -0.000 -2.637) 11.878 11.213 ( -4.343 0.000 -0.902) 4.436 11.225 ( -5.725 0.000 1.313) 5.874 11.649 ( -4.746 0.000 -1.008) 4.852 11.676 ( -5.603 0.000 0.985) 5.689 13.028 ( 6.040 -0.000 -0.692) 6.079 13.099 ( 7.118 -0.000 -0.120) 7.119 13.202 ( 1.281 -0.000 -1.090) 1.682 13.228 ( -2.191 0.000 0.445) 2.235 13.598 ( 3.395 -0.000 -0.071) 3.396 13.728 ( 4.451 -0.000 0.646) 4.498 13.912 ( 5.833 -0.000 0.106) 5.834 13.939 ( 6.230 -0.000 0.412) 6.244 14.088 ( -20.354 0.000 -0.879) 20.372 14.301 ( -0.549 0.000 -1.002) 1.142 14.460 ( -10.714 0.000 -2.247) 10.947 14.475 ( -1.654 0.000 -0.684) 1.790 15.281 ( -2.252 0.000 0.980) 2.456 15.440 ( -5.727 0.000 -5.027) 7.620 15.676 ( -4.223 0.000 -1.916) 4.637 15.693 ( -3.584 0.000 1.951) 4.080 16.554 ( 0.691 -0.000 1.463) 1.619 16.587 ( -3.543 0.000 -4.971) 6.104 16.654 ( -4.503 0.000 1.074) 4.629 16.825 ( -2.817 0.000 -4.409) 5.232 19.344 ( 5.729 -0.000 -3.661) 6.799 19.421 ( 5.728 -0.000 2.312) 6.177 20.109 ( -0.394 0.000 -3.540) 3.562 20.219 ( -4.341 0.000 0.709) 4.399 21.406 ( 0.310 -0.000 6.947) 6.954 21.435 ( 3.867 -0.000 -6.815) 7.836 23.100 ( -0.052 0.000 7.202) 7.202 23.377 ( 0.352 -0.000 -6.173) 6.183 26.675 ( 0.562 -0.000 -0.127) 0.577 26.712 ( -0.525 0.000 -0.005) 0.525 29.046 ( -4.264 0.000 -0.056) 4.264 29.227 ( -9.670 0.000 0.646) 9.692 29.838 ( -21.301 0.000 8.243) 22.840 30.537 ( -1.817 0.000 -24.216) 24.284 30.641 ( 6.023 -0.000 1.205) 6.143 30.868 ( -2.020 0.000 -4.681) 5.098 30.991 ( 3.320 -0.000 0.845) 3.426 31.412 ( -19.983 0.000 -26.061) 32.840 32.170 ( -2.494 0.000 0.234) 2.505 32.182 ( -2.045 0.000 -0.430) 2.090 32.472 ( -5.216 0.000 -0.195) 5.220 32.512 ( -1.597 0.000 0.846) 1.808 33.631 ( -1.945 0.000 9.199) 9.402 33.940 ( 3.771 -0.000 -8.737) 9.516 35.542 ( 2.922 -0.000 3.079) 4.244 35.745 ( 1.915 -0.000 4.595) 4.978 35.773 ( -0.858 0.000 -1.914) 2.097 36.274 ( -5.330 0.000 1.242) 5.473 36.327 ( -2.606 0.000 8.859) 9.234 36.553 ( 1.483 -0.000 -7.424) 7.570 38.194 ( 23.804 -0.000 31.372) 39.380 38.743 ( 16.769 -0.000 -8.438) 18.773 =================== 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 3/34560 10.0 13.704 15.342 10.146 -0.000 2.789 -0.000 3/34560 20.0 4.208 5.049 3.463 -0.000 0.805 -0.000 3/34560 30.0 2.619 3.068 2.182 -0.000 0.443 -0.000 3/34560 40.0 1.976 2.244 1.641 -0.000 0.286 -0.000 3/34560 50.0 1.624 1.790 1.338 -0.000 0.201 -0.000 3/34560 60.0 1.400 1.500 1.141 -0.000 0.150 -0.000 3/34560 70.0 1.244 1.299 0.999 -0.000 0.118 -0.000 3/34560 80.0 1.130 1.151 0.891 -0.000 0.096 -0.000 3/34560 90.0 1.043 1.039 0.805 -0.000 0.080 -0.000 3/34560 100.0 0.975 0.951 0.735 -0.000 0.068 -0.000 3/34560 110.0 0.919 0.881 0.677 -0.000 0.060 -0.000 3/34560 120.0 0.873 0.824 0.628 -0.000 0.053 -0.000 3/34560 130.0 0.834 0.777 0.587 -0.000 0.047 -0.000 3/34560 140.0 0.800 0.738 0.551 -0.000 0.042 -0.000 3/34560 150.0 0.769 0.703 0.520 -0.000 0.038 -0.000 3/34560 160.0 0.742 0.674 0.493 -0.000 0.035 -0.000 3/34560 170.0 0.717 0.647 0.469 -0.000 0.032 -0.000 3/34560 180.0 0.695 0.624 0.449 -0.000 0.029 -0.000 3/34560 190.0 0.674 0.602 0.431 -0.000 0.026 -0.000 3/34560 200.0 0.655 0.583 0.416 -0.000 0.024 -0.000 3/34560 210.0 0.637 0.565 0.402 -0.000 0.022 -0.000 3/34560 220.0 0.620 0.549 0.391 -0.000 0.019 -0.000 3/34560 230.0 0.605 0.534 0.381 -0.000 0.017 -0.000 3/34560 240.0 0.590 0.520 0.372 -0.000 0.015 -0.000 3/34560 250.0 0.577 0.507 0.364 -0.000 0.014 -0.000 3/34560 260.0 0.564 0.494 0.358 -0.000 0.012 -0.000 3/34560 270.0 0.552 0.483 0.352 -0.000 0.010 -0.000 3/34560 280.0 0.541 0.472 0.347 -0.000 0.008 -0.000 3/34560 290.0 0.530 0.462 0.343 -0.000 0.007 -0.000 3/34560 300.0 0.520 0.452 0.340 -0.000 0.005 -0.000 3/34560 310.0 0.510 0.443 0.336 -0.000 0.004 -0.000 3/34560 320.0 0.501 0.434 0.334 -0.000 0.002 -0.000 3/34560 330.0 0.492 0.426 0.331 -0.000 0.001 -0.000 3/34560 340.0 0.484 0.418 0.329 -0.000 -0.001 -0.000 3/34560 350.0 0.476 0.411 0.327 -0.000 -0.002 -0.000 3/34560 360.0 0.468 0.403 0.325 -0.000 -0.003 -0.000 3/34560 370.0 0.461 0.396 0.324 -0.000 -0.004 -0.000 3/34560 380.0 0.454 0.390 0.322 -0.000 -0.005 -0.000 3/34560 390.0 0.447 0.383 0.321 -0.000 -0.006 -0.000 3/34560 400.0 0.440 0.377 0.319 -0.000 -0.007 -0.000 3/34560 410.0 0.434 0.371 0.318 -0.000 -0.008 -0.000 3/34560 420.0 0.428 0.365 0.316 -0.000 -0.009 -0.000 3/34560 430.0 0.421 0.360 0.315 -0.000 -0.010 -0.000 3/34560 440.0 0.416 0.355 0.314 -0.000 -0.011 -0.000 3/34560 450.0 0.410 0.349 0.312 -0.000 -0.012 -0.000 3/34560 460.0 0.404 0.344 0.311 -0.000 -0.012 -0.000 3/34560 470.0 0.399 0.339 0.309 -0.000 -0.013 -0.000 3/34560 480.0 0.394 0.335 0.308 -0.000 -0.014 -0.000 3/34560 490.0 0.389 0.330 0.306 -0.000 -0.014 -0.000 3/34560 500.0 0.383 0.325 0.305 -0.000 -0.015 -0.000 3/34560 510.0 0.379 0.321 0.303 -0.000 -0.015 -0.000 3/34560 520.0 0.374 0.317 0.302 -0.000 -0.016 -0.000 3/34560 530.0 0.369 0.312 0.300 -0.000 -0.016 -0.000 3/34560 540.0 0.365 0.308 0.298 -0.000 -0.017 -0.000 3/34560 550.0 0.360 0.304 0.297 -0.000 -0.017 -0.000 3/34560 560.0 0.356 0.301 0.295 -0.000 -0.017 -0.000 3/34560 570.0 0.351 0.297 0.293 -0.000 -0.018 -0.000 3/34560 580.0 0.347 0.293 0.292 -0.000 -0.018 -0.000 3/34560 590.0 0.343 0.289 0.290 -0.000 -0.018 -0.000 3/34560 600.0 0.339 0.286 0.288 -0.000 -0.018 -0.000 3/34560 610.0 0.335 0.282 0.286 -0.000 -0.019 -0.000 3/34560 620.0 0.331 0.279 0.284 -0.000 -0.019 -0.000 3/34560 630.0 0.328 0.276 0.283 -0.000 -0.019 -0.000 3/34560 640.0 0.324 0.273 0.281 -0.000 -0.019 -0.000 3/34560 650.0 0.320 0.269 0.279 -0.000 -0.019 -0.000 3/34560 660.0 0.317 0.266 0.277 -0.000 -0.020 -0.000 3/34560 670.0 0.313 0.263 0.275 -0.000 -0.020 -0.000 3/34560 680.0 0.310 0.260 0.273 -0.000 -0.020 -0.000 3/34560 690.0 0.306 0.257 0.272 -0.000 -0.020 -0.000 3/34560 700.0 0.303 0.254 0.270 -0.000 -0.020 -0.000 3/34560 710.0 0.300 0.252 0.268 -0.000 -0.020 -0.000 3/34560 720.0 0.297 0.249 0.266 -0.000 -0.020 -0.000 3/34560 730.0 0.294 0.246 0.264 -0.000 -0.020 -0.000 3/34560 740.0 0.291 0.244 0.262 -0.000 -0.020 -0.000 3/34560 750.0 0.288 0.241 0.260 -0.000 -0.020 -0.000 3/34560 760.0 0.285 0.238 0.259 -0.000 -0.020 -0.000 3/34560 770.0 0.282 0.236 0.257 -0.000 -0.020 -0.000 3/34560 780.0 0.279 0.234 0.255 -0.000 -0.020 -0.000 3/34560 790.0 0.276 0.231 0.253 -0.000 -0.020 -0.000 3/34560 800.0 0.273 0.229 0.251 -0.000 -0.020 -0.000 3/34560 810.0 0.271 0.226 0.250 -0.000 -0.020 -0.000 3/34560 820.0 0.268 0.224 0.248 -0.000 -0.020 -0.000 3/34560 830.0 0.265 0.222 0.246 -0.000 -0.020 -0.000 3/34560 840.0 0.263 0.220 0.244 -0.000 -0.020 -0.000 3/34560 850.0 0.260 0.218 0.242 -0.000 -0.020 -0.000 3/34560 860.0 0.258 0.216 0.241 -0.000 -0.020 -0.000 3/34560 870.0 0.255 0.213 0.239 -0.000 -0.020 -0.000 3/34560 880.0 0.253 0.211 0.237 -0.000 -0.020 -0.000 3/34560 890.0 0.251 0.209 0.236 -0.000 -0.020 -0.000 3/34560 900.0 0.248 0.207 0.234 -0.000 -0.020 -0.000 3/34560 910.0 0.246 0.206 0.232 -0.000 -0.020 -0.000 3/34560 920.0 0.244 0.204 0.231 -0.000 -0.020 -0.000 3/34560 930.0 0.242 0.202 0.229 -0.000 -0.020 -0.000 3/34560 940.0 0.240 0.200 0.227 -0.000 -0.020 -0.000 3/34560 950.0 0.237 0.198 0.226 -0.000 -0.020 -0.000 3/34560 960.0 0.235 0.196 0.224 -0.000 -0.020 -0.000 3/34560 970.0 0.233 0.195 0.223 -0.000 -0.020 -0.000 3/34560 980.0 0.231 0.193 0.221 -0.000 -0.019 -0.000 3/34560 990.0 0.229 0.191 0.219 -0.000 -0.019 -0.000 3/34560 1000.0 0.227 0.190 0.218 -0.000 -0.019 -0.000 3/34560 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:35:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|