----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:14:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.254873150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372257350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.942125540000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.16553525928344 0.00520074573089 6.941 2 Li 0.00000000000000 0.83446474071656 0.50520074573089 6.941 *3 Li 0.24769276490020 0.66911359899779 0.00504269634576 6.941 4 Li 0.25230723509980 0.33088640100221 0.50504269634576 6.941 5 Li 0.74769276490020 0.33088640100221 0.50504269634576 6.941 6 Li 0.75230723509980 0.66911359899779 0.00504269634576 6.941 *7 O 0.00000000000000 0.17535538451299 0.65348280822229 15.999 8 O 0.50000000000000 0.82464461548701 0.15348280822229 15.999 *9 O 0.22262508954108 0.32001140075781 0.10977471834251 15.999 10 O 0.27737491045892 0.67998859924219 0.60977471834251 15.999 11 O 0.72262508954108 0.67998859924219 0.60977471834251 15.999 12 O 0.77737491045892 0.32001140075781 0.10977471834251 15.999 *13 O 0.00000000000000 0.87062023655842 0.10742407368535 15.999 14 O 0.50000000000000 0.12937976344158 0.60742407368535 15.999 *15 As 0.50000000000000 0.82978158334178 0.49745756298492 74.922 16 As 0.00000000000000 0.17021841665822 0.99745756298492 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.254873150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372257350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.942125540000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.16553525928344 0.00520074573089 6.941 > 1 2 Li 0.00000000000000 0.83446474071656 0.50520074573089 6.941 > 2 *3 Li 0.24769276490020 0.66911359899779 0.00504269634576 6.941 > 3 4 Li 0.25230723509980 0.33088640100221 0.50504269634576 6.941 > 4 5 Li 0.74769276490020 0.33088640100221 0.50504269634576 6.941 > 5 6 Li 0.75230723509980 0.66911359899779 0.00504269634576 6.941 > 6 *7 O 0.00000000000000 0.17535538451299 0.65348280822229 15.999 > 7 8 O 0.50000000000000 0.82464461548701 0.15348280822229 15.999 > 8 *9 O 0.22262508954108 0.32001140075781 0.10977471834251 15.999 > 9 10 O 0.27737491045892 0.67998859924219 0.60977471834251 15.999 > 10 11 O 0.72262508954108 0.67998859924219 0.60977471834251 15.999 > 11 12 O 0.77737491045892 0.32001140075781 0.10977471834251 15.999 > 12 *13 O 0.00000000000000 0.87062023655842 0.10742407368535 15.999 > 13 14 O 0.50000000000000 0.12937976344158 0.60742407368535 15.999 > 14 *15 As 0.50000000000000 0.82978158334178 0.49745756298492 74.922 > 15 16 As 0.00000000000000 0.17021841665822 0.99745756298492 74.922 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.509746300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.744514700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.884251080000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.08276762964172 0.00260037286545 6.941 > 1 2 Li 0.75000000000000 0.08276762964172 0.00260037286545 6.941 > 1 3 Li 0.25000000000000 0.58276762964172 0.00260037286545 6.941 > 1 4 Li 0.75000000000000 0.58276762964172 0.00260037286545 6.941 > 1 5 Li 0.25000000000000 0.08276762964172 0.50260037286545 6.941 > 1 6 Li 0.75000000000000 0.08276762964172 0.50260037286545 6.941 > 1 7 Li 0.25000000000000 0.58276762964172 0.50260037286545 6.941 > 1 8 Li 0.75000000000000 0.58276762964172 0.50260037286545 6.941 > 1 9 Li 0.00000000000000 0.41723237035828 0.25260037286545 6.941 > 2 10 Li 0.50000000000000 0.41723237035828 0.25260037286545 6.941 > 2 11 Li 0.00000000000000 0.91723237035828 0.25260037286545 6.941 > 2 12 Li 0.50000000000000 0.91723237035828 0.25260037286545 6.941 > 2 13 Li 0.00000000000000 0.41723237035828 0.75260037286545 6.941 > 2 14 Li 0.50000000000000 0.41723237035828 0.75260037286545 6.941 > 2 15 Li 0.00000000000000 0.91723237035828 0.75260037286545 6.941 > 2 16 Li 0.50000000000000 0.91723237035828 0.75260037286545 6.941 > 2 *17 Li 0.12384638245010 0.33455679949889 0.00252134817288 6.941 > 3 18 Li 0.62384638245010 0.33455679949889 0.00252134817288 6.941 > 3 19 Li 0.12384638245010 0.83455679949889 0.00252134817288 6.941 > 3 20 Li 0.62384638245010 0.83455679949889 0.00252134817288 6.941 > 3 21 Li 0.12384638245010 0.33455679949889 0.50252134817288 6.941 > 3 22 Li 0.62384638245010 0.33455679949889 0.50252134817288 6.941 > 3 23 Li 0.12384638245010 0.83455679949889 0.50252134817288 6.941 > 3 24 Li 0.62384638245010 0.83455679949889 0.50252134817288 6.941 > 3 25 Li 0.12615361754990 0.16544320050111 0.25252134817288 6.941 > 4 26 Li 0.62615361754990 0.16544320050111 0.25252134817288 6.941 > 4 27 Li 0.12615361754990 0.66544320050111 0.25252134817288 6.941 > 4 28 Li 0.62615361754990 0.66544320050111 0.25252134817288 6.941 > 4 29 Li 0.12615361754990 0.16544320050111 0.75252134817288 6.941 > 4 30 Li 0.62615361754990 0.16544320050111 0.75252134817288 6.941 > 4 31 Li 0.12615361754990 0.66544320050111 0.75252134817288 6.941 > 4 32 Li 0.62615361754990 0.66544320050111 0.75252134817288 6.941 > 4 33 Li 0.37384638245010 0.16544320050111 0.25252134817288 6.941 > 5 34 Li 0.87384638245010 0.16544320050111 0.25252134817288 6.941 > 5 35 Li 0.37384638245010 0.66544320050111 0.25252134817288 6.941 > 5 36 Li 0.87384638245010 0.66544320050111 0.25252134817288 6.941 > 5 37 Li 0.37384638245010 0.16544320050111 0.75252134817288 6.941 > 5 38 Li 0.87384638245010 0.16544320050111 0.75252134817288 6.941 > 5 39 Li 0.37384638245010 0.66544320050111 0.75252134817288 6.941 > 5 40 Li 0.87384638245010 0.66544320050111 0.75252134817288 6.941 > 5 41 Li 0.37615361754990 0.33455679949889 0.00252134817288 6.941 > 6 42 Li 0.87615361754990 0.33455679949889 0.00252134817288 6.941 > 6 43 Li 0.37615361754990 0.83455679949889 0.00252134817288 6.941 > 6 44 Li 0.87615361754990 0.83455679949889 0.00252134817288 6.941 > 6 45 Li 0.37615361754990 0.33455679949889 0.50252134817288 6.941 > 6 46 Li 0.87615361754990 0.33455679949889 0.50252134817288 6.941 > 6 47 Li 0.37615361754990 0.83455679949889 0.50252134817288 6.941 > 6 48 Li 0.87615361754990 0.83455679949889 0.50252134817288 6.941 > 6 *49 O 0.00000000000000 0.08767769225649 0.32674140411115 15.999 > 7 50 O 0.50000000000000 0.08767769225649 0.32674140411115 15.999 > 7 51 O 0.00000000000000 0.58767769225649 0.32674140411115 15.999 > 7 52 O 0.50000000000000 0.58767769225649 0.32674140411115 15.999 > 7 53 O 0.00000000000000 0.08767769225649 0.82674140411115 15.999 > 7 54 O 0.50000000000000 0.08767769225649 0.82674140411115 15.999 > 7 55 O 0.00000000000000 0.58767769225649 0.82674140411115 15.999 > 7 56 O 0.50000000000000 0.58767769225649 0.82674140411115 15.999 > 7 57 O 0.25000000000000 0.41232230774351 0.07674140411115 15.999 > 8 58 O 0.75000000000000 0.41232230774351 0.07674140411115 15.999 > 8 59 O 0.25000000000000 0.91232230774351 0.07674140411115 15.999 > 8 60 O 0.75000000000000 0.91232230774351 0.07674140411115 15.999 > 8 61 O 0.25000000000000 0.41232230774351 0.57674140411115 15.999 > 8 62 O 0.75000000000000 0.41232230774351 0.57674140411115 15.999 > 8 63 O 0.25000000000000 0.91232230774351 0.57674140411115 15.999 > 8 64 O 0.75000000000000 0.91232230774351 0.57674140411115 15.999 > 8 *65 O 0.11131254477054 0.16000570037891 0.05488735917125 15.999 > 9 66 O 0.61131254477054 0.16000570037891 0.05488735917125 15.999 > 9 67 O 0.11131254477054 0.66000570037891 0.05488735917125 15.999 > 9 68 O 0.61131254477054 0.66000570037891 0.05488735917125 15.999 > 9 69 O 0.11131254477054 0.16000570037891 0.55488735917125 15.999 > 9 70 O 0.61131254477054 0.16000570037891 0.55488735917125 15.999 > 9 71 O 0.11131254477054 0.66000570037891 0.55488735917125 15.999 > 9 72 O 0.61131254477054 0.66000570037891 0.55488735917125 15.999 > 9 73 O 0.13868745522946 0.33999429962109 0.30488735917125 15.999 > 10 74 O 0.63868745522946 0.33999429962109 0.30488735917125 15.999 > 10 75 O 0.13868745522946 0.83999429962109 0.30488735917125 15.999 > 10 76 O 0.63868745522946 0.83999429962109 0.30488735917125 15.999 > 10 77 O 0.13868745522946 0.33999429962109 0.80488735917125 15.999 > 10 78 O 0.63868745522946 0.33999429962109 0.80488735917125 15.999 > 10 79 O 0.13868745522946 0.83999429962109 0.80488735917125 15.999 > 10 80 O 0.63868745522946 0.83999429962109 0.80488735917125 15.999 > 10 81 O 0.36131254477054 0.33999429962109 0.30488735917125 15.999 > 11 82 O 0.86131254477054 0.33999429962109 0.30488735917125 15.999 > 11 83 O 0.36131254477054 0.83999429962109 0.30488735917125 15.999 > 11 84 O 0.86131254477054 0.83999429962109 0.30488735917125 15.999 > 11 85 O 0.36131254477054 0.33999429962109 0.80488735917125 15.999 > 11 86 O 0.86131254477054 0.33999429962109 0.80488735917125 15.999 > 11 87 O 0.36131254477054 0.83999429962109 0.80488735917125 15.999 > 11 88 O 0.86131254477054 0.83999429962109 0.80488735917125 15.999 > 11 89 O 0.38868745522946 0.16000570037891 0.05488735917125 15.999 > 12 90 O 0.88868745522946 0.16000570037891 0.05488735917125 15.999 > 12 91 O 0.38868745522946 0.66000570037891 0.05488735917125 15.999 > 12 92 O 0.88868745522946 0.66000570037891 0.05488735917125 15.999 > 12 93 O 0.38868745522946 0.16000570037891 0.55488735917125 15.999 > 12 94 O 0.88868745522946 0.16000570037891 0.55488735917125 15.999 > 12 95 O 0.38868745522946 0.66000570037891 0.55488735917125 15.999 > 12 96 O 0.88868745522946 0.66000570037891 0.55488735917125 15.999 > 12 *97 O 0.00000000000000 0.43531011827921 0.05371203684268 15.999 > 13 98 O 0.50000000000000 0.43531011827921 0.05371203684268 15.999 > 13 99 O 0.00000000000000 0.93531011827921 0.05371203684268 15.999 > 13 100 O 0.50000000000000 0.93531011827921 0.05371203684268 15.999 > 13 101 O 0.00000000000000 0.43531011827921 0.55371203684268 15.999 > 13 102 O 0.50000000000000 0.43531011827921 0.55371203684268 15.999 > 13 103 O 0.00000000000000 0.93531011827921 0.55371203684268 15.999 > 13 104 O 0.50000000000000 0.93531011827921 0.55371203684268 15.999 > 13 105 O 0.25000000000000 0.06468988172079 0.30371203684268 15.999 > 14 106 O 0.75000000000000 0.06468988172079 0.30371203684268 15.999 > 14 107 O 0.25000000000000 0.56468988172079 0.30371203684268 15.999 > 14 108 O 0.75000000000000 0.56468988172079 0.30371203684268 15.999 > 14 109 O 0.25000000000000 0.06468988172079 0.80371203684268 15.999 > 14 110 O 0.75000000000000 0.06468988172079 0.80371203684268 15.999 > 14 111 O 0.25000000000000 0.56468988172079 0.80371203684268 15.999 > 14 112 O 0.75000000000000 0.56468988172079 0.80371203684268 15.999 > 14 *113 As 0.25000000000000 0.41489079167089 0.24872878149246 74.922 > 15 114 As 0.75000000000000 0.41489079167089 0.24872878149246 74.922 > 15 115 As 0.25000000000000 0.91489079167089 0.24872878149246 74.922 > 15 116 As 0.75000000000000 0.91489079167089 0.24872878149246 74.922 > 15 117 As 0.25000000000000 0.41489079167089 0.74872878149246 74.922 > 15 118 As 0.75000000000000 0.41489079167089 0.74872878149246 74.922 > 15 119 As 0.25000000000000 0.91489079167089 0.74872878149246 74.922 > 15 120 As 0.75000000000000 0.91489079167089 0.74872878149246 74.922 > 15 121 As 0.00000000000000 0.08510920832911 0.49872878149246 74.922 > 16 122 As 0.50000000000000 0.08510920832911 0.49872878149246 74.922 > 16 123 As 0.00000000000000 0.58510920832911 0.49872878149246 74.922 > 16 124 As 0.50000000000000 0.58510920832911 0.49872878149246 74.922 > 16 125 As 0.00000000000000 0.08510920832911 0.99872878149246 74.922 > 16 126 As 0.50000000000000 0.08510920832911 0.99872878149246 74.922 > 16 127 As 0.00000000000000 0.58510920832911 0.99872878149246 74.922 > 16 128 As 0.50000000000000 0.58510920832911 0.99872878149246 74.922 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8050455 0.0000000 0.0000000 0.0000000 2.7836554 0.0000000 0.0000000 0.0000000 2.8628384 -------------------------- Born effective charges -------------------------- 1 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 0.0333945 0.0000000 -0.1431675 1.0524022 2 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 -0.0333945 0.0000000 0.1431675 1.0524022 3 Li 0.9314134 0.0964858 -0.1000159 -0.0949697 1.1021644 -0.0191661 0.1104462 0.0735407 1.0207400 4 Li 0.9314134 0.0964858 0.1000159 -0.0949697 1.1021644 0.0191661 -0.1104462 -0.0735407 1.0207400 5 Li 0.9314134 -0.0964858 -0.1000159 0.0949697 1.1021644 0.0191661 0.1104462 -0.0735407 1.0207400 6 Li 0.9314134 -0.0964858 0.1000159 0.0949697 1.1021644 -0.0191661 -0.1104462 0.0735407 1.0207400 7 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 -0.0072472 0.0000000 0.0030851 -2.1169255 8 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 0.0072472 0.0000000 -0.0030851 -2.1169255 9 O -1.8096327 -0.3428286 -0.2253190 -0.2381368 -1.4663310 -0.1089736 -0.2391777 -0.0903021 -1.4049691 10 O -1.8096327 -0.3428286 0.2253190 -0.2381368 -1.4663310 0.1089736 0.2391777 0.0903021 -1.4049691 11 O -1.8096327 0.3428286 -0.2253190 0.2381368 -1.4663310 0.1089736 -0.2391777 0.0903021 -1.4049691 12 O -1.8096327 0.3428286 0.2253190 0.2381368 -1.4663310 -0.1089736 0.2391777 -0.0903021 -1.4049691 13 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 0.2285072 0.0000000 0.2083564 -1.4056300 14 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 -0.2285072 0.0000000 -0.2083564 -1.4056300 15 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 -0.0098451 0.0000000 0.0236168 3.2386114 16 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 0.0098451 0.0000000 -0.0236168 3.2386114 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 1.471 Solver_block: 200 / 480 - Time: 0.750 Solver_block: 300 / 480 - Time: 1.741 Solver_block: 400 / 480 - Time: 0.755 Solver_block: 480 / 480 - Time: 0.819 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.953 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), 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 2026-01-07 23:15:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.254873150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372257350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.942125540000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.16553525928344 0.00520074573089 6.941 2 Li 0.00000000000000 0.83446474071656 0.50520074573089 6.941 3 Li 0.24769276490020 0.66911359899779 0.00504269634576 6.941 4 Li 0.25230723509980 0.33088640100221 0.50504269634576 6.941 5 Li 0.74769276490020 0.33088640100221 0.50504269634576 6.941 6 Li 0.75230723509980 0.66911359899779 0.00504269634576 6.941 7 O 0.00000000000000 0.17535538451299 0.65348280822229 15.999 8 O 0.50000000000000 0.82464461548701 0.15348280822229 15.999 9 O 0.22262508954108 0.32001140075781 0.10977471834251 15.999 10 O 0.27737491045892 0.67998859924219 0.60977471834251 15.999 11 O 0.72262508954108 0.67998859924219 0.60977471834251 15.999 12 O 0.77737491045892 0.32001140075781 0.10977471834251 15.999 13 O 0.00000000000000 0.87062023655842 0.10742407368535 15.999 14 O 0.50000000000000 0.12937976344158 0.60742407368535 15.999 15 As 0.50000000000000 0.82978158334178 0.49745756298492 74.922 16 As 0.00000000000000 0.17021841665822 0.99745756298492 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.509746300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.744514700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.884251080000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.08276762964172 0.00260037286545 6.941 > 1 2 Li 0.75000000000000 0.08276762964172 0.00260037286545 6.941 > 1 3 Li 0.25000000000000 0.58276762964172 0.00260037286545 6.941 > 1 4 Li 0.75000000000000 0.58276762964172 0.00260037286545 6.941 > 1 5 Li 0.25000000000000 0.08276762964172 0.50260037286545 6.941 > 1 6 Li 0.75000000000000 0.08276762964172 0.50260037286545 6.941 > 1 7 Li 0.25000000000000 0.58276762964172 0.50260037286545 6.941 > 1 8 Li 0.75000000000000 0.58276762964172 0.50260037286545 6.941 > 1 9 Li 0.00000000000000 0.41723237035828 0.25260037286545 6.941 > 9 10 Li 0.50000000000000 0.41723237035828 0.25260037286545 6.941 > 9 11 Li 0.00000000000000 0.91723237035828 0.25260037286545 6.941 > 9 12 Li 0.50000000000000 0.91723237035828 0.25260037286545 6.941 > 9 13 Li 0.00000000000000 0.41723237035828 0.75260037286545 6.941 > 9 14 Li 0.50000000000000 0.41723237035828 0.75260037286545 6.941 > 9 15 Li 0.00000000000000 0.91723237035828 0.75260037286545 6.941 > 9 16 Li 0.50000000000000 0.91723237035828 0.75260037286545 6.941 > 9 17 Li 0.12384638245010 0.33455679949889 0.00252134817288 6.941 > 17 18 Li 0.62384638245010 0.33455679949889 0.00252134817288 6.941 > 17 19 Li 0.12384638245010 0.83455679949889 0.00252134817288 6.941 > 17 20 Li 0.62384638245010 0.83455679949889 0.00252134817288 6.941 > 17 21 Li 0.12384638245010 0.33455679949889 0.50252134817288 6.941 > 17 22 Li 0.62384638245010 0.33455679949889 0.50252134817288 6.941 > 17 23 Li 0.12384638245010 0.83455679949889 0.50252134817288 6.941 > 17 24 Li 0.62384638245010 0.83455679949889 0.50252134817288 6.941 > 17 25 Li 0.12615361754990 0.16544320050111 0.25252134817288 6.941 > 25 26 Li 0.62615361754990 0.16544320050111 0.25252134817288 6.941 > 25 27 Li 0.12615361754990 0.66544320050111 0.25252134817288 6.941 > 25 28 Li 0.62615361754990 0.66544320050111 0.25252134817288 6.941 > 25 29 Li 0.12615361754990 0.16544320050111 0.75252134817288 6.941 > 25 30 Li 0.62615361754990 0.16544320050111 0.75252134817288 6.941 > 25 31 Li 0.12615361754990 0.66544320050111 0.75252134817288 6.941 > 25 32 Li 0.62615361754990 0.66544320050111 0.75252134817288 6.941 > 25 33 Li 0.37384638245010 0.16544320050111 0.25252134817288 6.941 > 33 34 Li 0.87384638245010 0.16544320050111 0.25252134817288 6.941 > 33 35 Li 0.37384638245010 0.66544320050111 0.25252134817288 6.941 > 33 36 Li 0.87384638245010 0.66544320050111 0.25252134817288 6.941 > 33 37 Li 0.37384638245010 0.16544320050111 0.75252134817288 6.941 > 33 38 Li 0.87384638245010 0.16544320050111 0.75252134817288 6.941 > 33 39 Li 0.37384638245010 0.66544320050111 0.75252134817288 6.941 > 33 40 Li 0.87384638245010 0.66544320050111 0.75252134817288 6.941 > 33 41 Li 0.37615361754990 0.33455679949889 0.00252134817288 6.941 > 41 42 Li 0.87615361754990 0.33455679949889 0.00252134817288 6.941 > 41 43 Li 0.37615361754990 0.83455679949889 0.00252134817288 6.941 > 41 44 Li 0.87615361754990 0.83455679949889 0.00252134817288 6.941 > 41 45 Li 0.37615361754990 0.33455679949889 0.50252134817288 6.941 > 41 46 Li 0.87615361754990 0.33455679949889 0.50252134817288 6.941 > 41 47 Li 0.37615361754990 0.83455679949889 0.50252134817288 6.941 > 41 48 Li 0.87615361754990 0.83455679949889 0.50252134817288 6.941 > 41 49 O 0.00000000000000 0.08767769225649 0.32674140411115 15.999 > 49 50 O 0.50000000000000 0.08767769225649 0.32674140411115 15.999 > 49 51 O 0.00000000000000 0.58767769225649 0.32674140411115 15.999 > 49 52 O 0.50000000000000 0.58767769225649 0.32674140411115 15.999 > 49 53 O 0.00000000000000 0.08767769225649 0.82674140411115 15.999 > 49 54 O 0.50000000000000 0.08767769225649 0.82674140411115 15.999 > 49 55 O 0.00000000000000 0.58767769225649 0.82674140411115 15.999 > 49 56 O 0.50000000000000 0.58767769225649 0.82674140411115 15.999 > 49 57 O 0.25000000000000 0.41232230774351 0.07674140411115 15.999 > 57 58 O 0.75000000000000 0.41232230774351 0.07674140411115 15.999 > 57 59 O 0.25000000000000 0.91232230774351 0.07674140411115 15.999 > 57 60 O 0.75000000000000 0.91232230774351 0.07674140411115 15.999 > 57 61 O 0.25000000000000 0.41232230774351 0.57674140411115 15.999 > 57 62 O 0.75000000000000 0.41232230774351 0.57674140411115 15.999 > 57 63 O 0.25000000000000 0.91232230774351 0.57674140411115 15.999 > 57 64 O 0.75000000000000 0.91232230774351 0.57674140411115 15.999 > 57 65 O 0.11131254477054 0.16000570037891 0.05488735917125 15.999 > 65 66 O 0.61131254477054 0.16000570037891 0.05488735917125 15.999 > 65 67 O 0.11131254477054 0.66000570037891 0.05488735917125 15.999 > 65 68 O 0.61131254477054 0.66000570037891 0.05488735917125 15.999 > 65 69 O 0.11131254477054 0.16000570037891 0.55488735917125 15.999 > 65 70 O 0.61131254477054 0.16000570037891 0.55488735917125 15.999 > 65 71 O 0.11131254477054 0.66000570037891 0.55488735917125 15.999 > 65 72 O 0.61131254477054 0.66000570037891 0.55488735917125 15.999 > 65 73 O 0.13868745522946 0.33999429962109 0.30488735917125 15.999 > 73 74 O 0.63868745522946 0.33999429962109 0.30488735917125 15.999 > 73 75 O 0.13868745522946 0.83999429962109 0.30488735917125 15.999 > 73 76 O 0.63868745522946 0.83999429962109 0.30488735917125 15.999 > 73 77 O 0.13868745522946 0.33999429962109 0.80488735917125 15.999 > 73 78 O 0.63868745522946 0.33999429962109 0.80488735917125 15.999 > 73 79 O 0.13868745522946 0.83999429962109 0.80488735917125 15.999 > 73 80 O 0.63868745522946 0.83999429962109 0.80488735917125 15.999 > 73 81 O 0.36131254477054 0.33999429962109 0.30488735917125 15.999 > 81 82 O 0.86131254477054 0.33999429962109 0.30488735917125 15.999 > 81 83 O 0.36131254477054 0.83999429962109 0.30488735917125 15.999 > 81 84 O 0.86131254477054 0.83999429962109 0.30488735917125 15.999 > 81 85 O 0.36131254477054 0.33999429962109 0.80488735917125 15.999 > 81 86 O 0.86131254477054 0.33999429962109 0.80488735917125 15.999 > 81 87 O 0.36131254477054 0.83999429962109 0.80488735917125 15.999 > 81 88 O 0.86131254477054 0.83999429962109 0.80488735917125 15.999 > 81 89 O 0.38868745522946 0.16000570037891 0.05488735917125 15.999 > 89 90 O 0.88868745522946 0.16000570037891 0.05488735917125 15.999 > 89 91 O 0.38868745522946 0.66000570037891 0.05488735917125 15.999 > 89 92 O 0.88868745522946 0.66000570037891 0.05488735917125 15.999 > 89 93 O 0.38868745522946 0.16000570037891 0.55488735917125 15.999 > 89 94 O 0.88868745522946 0.16000570037891 0.55488735917125 15.999 > 89 95 O 0.38868745522946 0.66000570037891 0.55488735917125 15.999 > 89 96 O 0.88868745522946 0.66000570037891 0.55488735917125 15.999 > 89 97 O 0.00000000000000 0.43531011827921 0.05371203684268 15.999 > 97 98 O 0.50000000000000 0.43531011827921 0.05371203684268 15.999 > 97 99 O 0.00000000000000 0.93531011827921 0.05371203684268 15.999 > 97 100 O 0.50000000000000 0.93531011827921 0.05371203684268 15.999 > 97 101 O 0.00000000000000 0.43531011827921 0.55371203684268 15.999 > 97 102 O 0.50000000000000 0.43531011827921 0.55371203684268 15.999 > 97 103 O 0.00000000000000 0.93531011827921 0.55371203684268 15.999 > 97 104 O 0.50000000000000 0.93531011827921 0.55371203684268 15.999 > 97 105 O 0.25000000000000 0.06468988172079 0.30371203684268 15.999 > 105 106 O 0.75000000000000 0.06468988172079 0.30371203684268 15.999 > 105 107 O 0.25000000000000 0.56468988172079 0.30371203684268 15.999 > 105 108 O 0.75000000000000 0.56468988172079 0.30371203684268 15.999 > 105 109 O 0.25000000000000 0.06468988172079 0.80371203684268 15.999 > 105 110 O 0.75000000000000 0.06468988172079 0.80371203684268 15.999 > 105 111 O 0.25000000000000 0.56468988172079 0.80371203684268 15.999 > 105 112 O 0.75000000000000 0.56468988172079 0.80371203684268 15.999 > 105 113 As 0.25000000000000 0.41489079167089 0.24872878149246 74.922 > 113 114 As 0.75000000000000 0.41489079167089 0.24872878149246 74.922 > 113 115 As 0.25000000000000 0.91489079167089 0.24872878149246 74.922 > 113 116 As 0.75000000000000 0.91489079167089 0.24872878149246 74.922 > 113 117 As 0.25000000000000 0.41489079167089 0.74872878149246 74.922 > 113 118 As 0.75000000000000 0.41489079167089 0.74872878149246 74.922 > 113 119 As 0.25000000000000 0.91489079167089 0.74872878149246 74.922 > 113 120 As 0.75000000000000 0.91489079167089 0.74872878149246 74.922 > 113 121 As 0.00000000000000 0.08510920832911 0.49872878149246 74.922 > 121 122 As 0.50000000000000 0.08510920832911 0.49872878149246 74.922 > 121 123 As 0.00000000000000 0.58510920832911 0.49872878149246 74.922 > 121 124 As 0.50000000000000 0.58510920832911 0.49872878149246 74.922 > 121 125 As 0.00000000000000 0.08510920832911 0.99872878149246 74.922 > 121 126 As 0.50000000000000 0.08510920832911 0.99872878149246 74.922 > 121 127 As 0.00000000000000 0.58510920832911 0.99872878149246 74.922 > 121 128 As 0.50000000000000 0.58510920832911 0.99872878149246 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8050455 0.0000000 0.0000000 0.0000000 2.7836554 0.0000000 0.0000000 0.0000000 2.8628384 -------------------------- Born effective charges -------------------------- 1 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 0.0333945 0.0000000 -0.1431675 1.0524022 2 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 -0.0333945 0.0000000 0.1431675 1.0524022 3 Li 0.9314134 0.0964858 -0.1000159 -0.0949697 1.1021644 -0.0191661 0.1104462 0.0735407 1.0207400 4 Li 0.9314134 0.0964858 0.1000159 -0.0949697 1.1021644 0.0191661 -0.1104462 -0.0735407 1.0207400 5 Li 0.9314134 -0.0964858 -0.1000159 0.0949697 1.1021644 0.0191661 0.1104462 -0.0735407 1.0207400 6 Li 0.9314134 -0.0964858 0.1000159 0.0949697 1.1021644 -0.0191661 -0.1104462 0.0735407 1.0207400 7 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 -0.0072472 0.0000000 0.0030851 -2.1169255 8 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 0.0072472 0.0000000 -0.0030851 -2.1169255 9 O -1.8096327 -0.3428286 -0.2253190 -0.2381368 -1.4663310 -0.1089736 -0.2391777 -0.0903021 -1.4049691 10 O -1.8096327 -0.3428286 0.2253190 -0.2381368 -1.4663310 0.1089736 0.2391777 0.0903021 -1.4049691 11 O -1.8096327 0.3428286 -0.2253190 0.2381368 -1.4663310 0.1089736 -0.2391777 0.0903021 -1.4049691 12 O -1.8096327 0.3428286 0.2253190 0.2381368 -1.4663310 -0.1089736 0.2391777 -0.0903021 -1.4049691 13 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 0.2285072 0.0000000 0.2083564 -1.4056300 14 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 -0.2285072 0.0000000 -0.2083564 -1.4056300 15 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 -0.0098451 0.0000000 0.0236168 3.2386114 16 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 0.0098451 0.0000000 -0.0236168 3.2386114 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000021 (yzy) 0.00000021 (yzy) 0.00000021 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:15:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:15:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.254873150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372257350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.942125540000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.16553525928344 0.00520074573089 6.941 2 Li 0.00000000000000 0.83446474071656 0.50520074573089 6.941 3 Li 0.24769276490020 0.66911359899779 0.00504269634576 6.941 4 Li 0.25230723509980 0.33088640100221 0.50504269634576 6.941 5 Li 0.74769276490020 0.33088640100221 0.50504269634576 6.941 6 Li 0.75230723509980 0.66911359899779 0.00504269634576 6.941 7 O 0.00000000000000 0.17535538451299 0.65348280822229 15.999 8 O 0.50000000000000 0.82464461548701 0.15348280822229 15.999 9 O 0.22262508954108 0.32001140075781 0.10977471834251 15.999 10 O 0.27737491045892 0.67998859924219 0.60977471834251 15.999 11 O 0.72262508954108 0.67998859924219 0.60977471834251 15.999 12 O 0.77737491045892 0.32001140075781 0.10977471834251 15.999 13 O 0.00000000000000 0.87062023655842 0.10742407368535 15.999 14 O 0.50000000000000 0.12937976344158 0.60742407368535 15.999 15 As 0.50000000000000 0.82978158334178 0.49745756298492 74.922 16 As 0.00000000000000 0.17021841665822 0.99745756298492 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.509746300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.744514700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.884251080000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.08276762964172 0.00260037286545 6.941 > 1 2 Li 0.75000000000000 0.08276762964172 0.00260037286545 6.941 > 1 3 Li 0.25000000000000 0.58276762964172 0.00260037286545 6.941 > 1 4 Li 0.75000000000000 0.58276762964172 0.00260037286545 6.941 > 1 5 Li 0.25000000000000 0.08276762964172 0.50260037286545 6.941 > 1 6 Li 0.75000000000000 0.08276762964172 0.50260037286545 6.941 > 1 7 Li 0.25000000000000 0.58276762964172 0.50260037286545 6.941 > 1 8 Li 0.75000000000000 0.58276762964172 0.50260037286545 6.941 > 1 9 Li 0.00000000000000 0.41723237035828 0.25260037286545 6.941 > 9 10 Li 0.50000000000000 0.41723237035828 0.25260037286545 6.941 > 9 11 Li 0.00000000000000 0.91723237035828 0.25260037286545 6.941 > 9 12 Li 0.50000000000000 0.91723237035828 0.25260037286545 6.941 > 9 13 Li 0.00000000000000 0.41723237035828 0.75260037286545 6.941 > 9 14 Li 0.50000000000000 0.41723237035828 0.75260037286545 6.941 > 9 15 Li 0.00000000000000 0.91723237035828 0.75260037286545 6.941 > 9 16 Li 0.50000000000000 0.91723237035828 0.75260037286545 6.941 > 9 17 Li 0.12384638245010 0.33455679949889 0.00252134817288 6.941 > 17 18 Li 0.62384638245010 0.33455679949889 0.00252134817288 6.941 > 17 19 Li 0.12384638245010 0.83455679949889 0.00252134817288 6.941 > 17 20 Li 0.62384638245010 0.83455679949889 0.00252134817288 6.941 > 17 21 Li 0.12384638245010 0.33455679949889 0.50252134817288 6.941 > 17 22 Li 0.62384638245010 0.33455679949889 0.50252134817288 6.941 > 17 23 Li 0.12384638245010 0.83455679949889 0.50252134817288 6.941 > 17 24 Li 0.62384638245010 0.83455679949889 0.50252134817288 6.941 > 17 25 Li 0.12615361754990 0.16544320050111 0.25252134817288 6.941 > 25 26 Li 0.62615361754990 0.16544320050111 0.25252134817288 6.941 > 25 27 Li 0.12615361754990 0.66544320050111 0.25252134817288 6.941 > 25 28 Li 0.62615361754990 0.66544320050111 0.25252134817288 6.941 > 25 29 Li 0.12615361754990 0.16544320050111 0.75252134817288 6.941 > 25 30 Li 0.62615361754990 0.16544320050111 0.75252134817288 6.941 > 25 31 Li 0.12615361754990 0.66544320050111 0.75252134817288 6.941 > 25 32 Li 0.62615361754990 0.66544320050111 0.75252134817288 6.941 > 25 33 Li 0.37384638245010 0.16544320050111 0.25252134817288 6.941 > 33 34 Li 0.87384638245010 0.16544320050111 0.25252134817288 6.941 > 33 35 Li 0.37384638245010 0.66544320050111 0.25252134817288 6.941 > 33 36 Li 0.87384638245010 0.66544320050111 0.25252134817288 6.941 > 33 37 Li 0.37384638245010 0.16544320050111 0.75252134817288 6.941 > 33 38 Li 0.87384638245010 0.16544320050111 0.75252134817288 6.941 > 33 39 Li 0.37384638245010 0.66544320050111 0.75252134817288 6.941 > 33 40 Li 0.87384638245010 0.66544320050111 0.75252134817288 6.941 > 33 41 Li 0.37615361754990 0.33455679949889 0.00252134817288 6.941 > 41 42 Li 0.87615361754990 0.33455679949889 0.00252134817288 6.941 > 41 43 Li 0.37615361754990 0.83455679949889 0.00252134817288 6.941 > 41 44 Li 0.87615361754990 0.83455679949889 0.00252134817288 6.941 > 41 45 Li 0.37615361754990 0.33455679949889 0.50252134817288 6.941 > 41 46 Li 0.87615361754990 0.33455679949889 0.50252134817288 6.941 > 41 47 Li 0.37615361754990 0.83455679949889 0.50252134817288 6.941 > 41 48 Li 0.87615361754990 0.83455679949889 0.50252134817288 6.941 > 41 49 O 0.00000000000000 0.08767769225649 0.32674140411115 15.999 > 49 50 O 0.50000000000000 0.08767769225649 0.32674140411115 15.999 > 49 51 O 0.00000000000000 0.58767769225649 0.32674140411115 15.999 > 49 52 O 0.50000000000000 0.58767769225649 0.32674140411115 15.999 > 49 53 O 0.00000000000000 0.08767769225649 0.82674140411115 15.999 > 49 54 O 0.50000000000000 0.08767769225649 0.82674140411115 15.999 > 49 55 O 0.00000000000000 0.58767769225649 0.82674140411115 15.999 > 49 56 O 0.50000000000000 0.58767769225649 0.82674140411115 15.999 > 49 57 O 0.25000000000000 0.41232230774351 0.07674140411115 15.999 > 57 58 O 0.75000000000000 0.41232230774351 0.07674140411115 15.999 > 57 59 O 0.25000000000000 0.91232230774351 0.07674140411115 15.999 > 57 60 O 0.75000000000000 0.91232230774351 0.07674140411115 15.999 > 57 61 O 0.25000000000000 0.41232230774351 0.57674140411115 15.999 > 57 62 O 0.75000000000000 0.41232230774351 0.57674140411115 15.999 > 57 63 O 0.25000000000000 0.91232230774351 0.57674140411115 15.999 > 57 64 O 0.75000000000000 0.91232230774351 0.57674140411115 15.999 > 57 65 O 0.11131254477054 0.16000570037891 0.05488735917125 15.999 > 65 66 O 0.61131254477054 0.16000570037891 0.05488735917125 15.999 > 65 67 O 0.11131254477054 0.66000570037891 0.05488735917125 15.999 > 65 68 O 0.61131254477054 0.66000570037891 0.05488735917125 15.999 > 65 69 O 0.11131254477054 0.16000570037891 0.55488735917125 15.999 > 65 70 O 0.61131254477054 0.16000570037891 0.55488735917125 15.999 > 65 71 O 0.11131254477054 0.66000570037891 0.55488735917125 15.999 > 65 72 O 0.61131254477054 0.66000570037891 0.55488735917125 15.999 > 65 73 O 0.13868745522946 0.33999429962109 0.30488735917125 15.999 > 73 74 O 0.63868745522946 0.33999429962109 0.30488735917125 15.999 > 73 75 O 0.13868745522946 0.83999429962109 0.30488735917125 15.999 > 73 76 O 0.63868745522946 0.83999429962109 0.30488735917125 15.999 > 73 77 O 0.13868745522946 0.33999429962109 0.80488735917125 15.999 > 73 78 O 0.63868745522946 0.33999429962109 0.80488735917125 15.999 > 73 79 O 0.13868745522946 0.83999429962109 0.80488735917125 15.999 > 73 80 O 0.63868745522946 0.83999429962109 0.80488735917125 15.999 > 73 81 O 0.36131254477054 0.33999429962109 0.30488735917125 15.999 > 81 82 O 0.86131254477054 0.33999429962109 0.30488735917125 15.999 > 81 83 O 0.36131254477054 0.83999429962109 0.30488735917125 15.999 > 81 84 O 0.86131254477054 0.83999429962109 0.30488735917125 15.999 > 81 85 O 0.36131254477054 0.33999429962109 0.80488735917125 15.999 > 81 86 O 0.86131254477054 0.33999429962109 0.80488735917125 15.999 > 81 87 O 0.36131254477054 0.83999429962109 0.80488735917125 15.999 > 81 88 O 0.86131254477054 0.83999429962109 0.80488735917125 15.999 > 81 89 O 0.38868745522946 0.16000570037891 0.05488735917125 15.999 > 89 90 O 0.88868745522946 0.16000570037891 0.05488735917125 15.999 > 89 91 O 0.38868745522946 0.66000570037891 0.05488735917125 15.999 > 89 92 O 0.88868745522946 0.66000570037891 0.05488735917125 15.999 > 89 93 O 0.38868745522946 0.16000570037891 0.55488735917125 15.999 > 89 94 O 0.88868745522946 0.16000570037891 0.55488735917125 15.999 > 89 95 O 0.38868745522946 0.66000570037891 0.55488735917125 15.999 > 89 96 O 0.88868745522946 0.66000570037891 0.55488735917125 15.999 > 89 97 O 0.00000000000000 0.43531011827921 0.05371203684268 15.999 > 97 98 O 0.50000000000000 0.43531011827921 0.05371203684268 15.999 > 97 99 O 0.00000000000000 0.93531011827921 0.05371203684268 15.999 > 97 100 O 0.50000000000000 0.93531011827921 0.05371203684268 15.999 > 97 101 O 0.00000000000000 0.43531011827921 0.55371203684268 15.999 > 97 102 O 0.50000000000000 0.43531011827921 0.55371203684268 15.999 > 97 103 O 0.00000000000000 0.93531011827921 0.55371203684268 15.999 > 97 104 O 0.50000000000000 0.93531011827921 0.55371203684268 15.999 > 97 105 O 0.25000000000000 0.06468988172079 0.30371203684268 15.999 > 105 106 O 0.75000000000000 0.06468988172079 0.30371203684268 15.999 > 105 107 O 0.25000000000000 0.56468988172079 0.30371203684268 15.999 > 105 108 O 0.75000000000000 0.56468988172079 0.30371203684268 15.999 > 105 109 O 0.25000000000000 0.06468988172079 0.80371203684268 15.999 > 105 110 O 0.75000000000000 0.06468988172079 0.80371203684268 15.999 > 105 111 O 0.25000000000000 0.56468988172079 0.80371203684268 15.999 > 105 112 O 0.75000000000000 0.56468988172079 0.80371203684268 15.999 > 105 113 As 0.25000000000000 0.41489079167089 0.24872878149246 74.922 > 113 114 As 0.75000000000000 0.41489079167089 0.24872878149246 74.922 > 113 115 As 0.25000000000000 0.91489079167089 0.24872878149246 74.922 > 113 116 As 0.75000000000000 0.91489079167089 0.24872878149246 74.922 > 113 117 As 0.25000000000000 0.41489079167089 0.74872878149246 74.922 > 113 118 As 0.75000000000000 0.41489079167089 0.74872878149246 74.922 > 113 119 As 0.25000000000000 0.91489079167089 0.74872878149246 74.922 > 113 120 As 0.75000000000000 0.91489079167089 0.74872878149246 74.922 > 113 121 As 0.00000000000000 0.08510920832911 0.49872878149246 74.922 > 121 122 As 0.50000000000000 0.08510920832911 0.49872878149246 74.922 > 121 123 As 0.00000000000000 0.58510920832911 0.49872878149246 74.922 > 121 124 As 0.50000000000000 0.58510920832911 0.49872878149246 74.922 > 121 125 As 0.00000000000000 0.08510920832911 0.99872878149246 74.922 > 121 126 As 0.50000000000000 0.08510920832911 0.99872878149246 74.922 > 121 127 As 0.00000000000000 0.58510920832911 0.99872878149246 74.922 > 121 128 As 0.50000000000000 0.58510920832911 0.99872878149246 74.922 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8050455 0.0000000 0.0000000 0.0000000 2.7836554 0.0000000 0.0000000 0.0000000 2.8628384 -------------------------- Born effective charges -------------------------- 1 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 0.0333945 0.0000000 -0.1431675 1.0524022 2 Li 1.1735156 0.0000000 0.0000000 0.0000000 0.8849351 -0.0333945 0.0000000 0.1431675 1.0524022 3 Li 0.9314134 0.0964858 -0.1000159 -0.0949697 1.1021644 -0.0191661 0.1104462 0.0735407 1.0207400 4 Li 0.9314134 0.0964858 0.1000159 -0.0949697 1.1021644 0.0191661 -0.1104462 -0.0735407 1.0207400 5 Li 0.9314134 -0.0964858 -0.1000159 0.0949697 1.1021644 0.0191661 0.1104462 -0.0735407 1.0207400 6 Li 0.9314134 -0.0964858 0.1000159 0.0949697 1.1021644 -0.0191661 -0.1104462 0.0735407 1.0207400 7 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 -0.0072472 0.0000000 0.0030851 -2.1169255 8 O -1.2896792 0.0000000 0.0000000 0.0000000 -1.1628709 0.0072472 0.0000000 -0.0030851 -2.1169255 9 O -1.8096327 -0.3428286 -0.2253190 -0.2381368 -1.4663310 -0.1089736 -0.2391777 -0.0903021 -1.4049691 10 O -1.8096327 -0.3428286 0.2253190 -0.2381368 -1.4663310 0.1089736 0.2391777 0.0903021 -1.4049691 11 O -1.8096327 0.3428286 -0.2253190 0.2381368 -1.4663310 0.1089736 -0.2391777 0.0903021 -1.4049691 12 O -1.8096327 0.3428286 0.2253190 0.2381368 -1.4663310 -0.1089736 0.2391777 -0.0903021 -1.4049691 13 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 0.2285072 0.0000000 0.2083564 -1.4056300 14 O -1.3016971 0.0000000 0.0000000 0.0000000 -1.8955415 -0.2285072 0.0000000 -0.2083564 -1.4056300 15 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 -0.0098451 0.0000000 0.0236168 3.2386114 16 As 3.1742992 0.0000000 0.0000000 0.0000000 2.9018106 0.0098451 0.0000000 -0.0236168 3.2386114 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000021 (yzy) 0.00000021 (yzy) 0.00000021 (yyz) 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 9 10 ] 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: 0.76, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 -0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 -0.000) 0.000 9.830 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 -0.000) 0.000 10.735 ( 0.000 0.000 -0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 0.000 -0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 12.419 ( 0.000 0.000 0.000) 0.000 12.617 ( 0.000 0.000 0.000) 0.000 12.621 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.002 ( 0.000 0.000 0.000) 0.000 13.385 ( 0.000 0.000 -0.000) 0.000 13.668 ( 0.000 0.000 -0.000) 0.000 13.787 ( 0.000 0.000 0.000) 0.000 14.108 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.296 ( 0.000 0.000 -0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 -0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 15.602 ( 0.000 0.000 0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 22.609 ( 0.000 0.000 0.000) 0.000 22.754 ( 0.000 0.000 0.000) 0.000 22.875 ( 0.000 0.000 -0.000) 0.000 23.098 ( 0.000 0.000 0.000) 0.000 23.228 ( 0.000 0.000 -0.000) 0.000 23.427 ( 0.000 0.000 0.000) 0.000 23.480 ( 0.000 0.000 -0.000) 0.000 23.653 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 34.922 0.000 0.000) 34.922 0.723 ( 36.161 0.000 0.000) 36.161 1.232 ( 60.311 0.000 0.000) 60.311 3.955 ( 13.132 0.000 0.000) 13.132 4.121 ( -6.540 0.000 0.000) 6.540 4.381 ( -14.373 0.000 0.000) 14.373 5.676 ( 21.397 0.000 0.000) 21.397 6.312 ( -12.577 0.000 0.000) 12.577 7.127 ( -12.789 0.000 0.000) 12.789 7.499 ( 21.093 0.000 0.000) 21.093 7.638 ( 11.202 0.000 0.000) 11.202 8.789 ( -2.675 0.000 0.000) 2.675 9.022 ( 0.490 0.000 0.000) 0.490 9.843 ( -8.728 0.000 0.000) 8.728 9.864 ( 3.177 0.000 0.000) 3.177 9.947 ( -1.370 0.000 0.000) 1.370 10.130 ( -21.511 0.000 0.000) 21.511 10.613 ( -10.418 0.000 0.000) 10.418 11.243 ( 9.870 0.000 0.000) 9.870 11.467 ( 28.366 0.000 0.000) 28.366 11.499 ( -1.832 0.000 0.000) 1.832 12.045 ( -1.960 0.000 0.000) 1.960 12.430 ( 0.719 0.000 0.000) 0.719 12.523 ( -5.248 0.000 0.000) 5.248 12.732 ( 6.352 0.000 0.000) 6.352 12.865 ( -5.221 0.000 0.000) 5.221 13.060 ( 3.063 0.000 0.000) 3.063 13.273 ( -9.589 0.000 0.000) 9.589 13.598 ( 4.054 0.000 0.000) 4.054 13.724 ( 3.999 0.000 0.000) 3.999 13.818 ( 2.697 0.000 0.000) 2.697 14.114 ( -0.538 0.000 0.000) 0.538 14.180 ( -5.391 0.000 0.000) 5.391 14.429 ( 0.124 0.000 0.000) 0.124 14.626 ( 3.768 0.000 0.000) 3.768 15.078 ( -16.116 0.000 0.000) 16.116 15.130 ( -11.592 0.000 0.000) 11.592 15.528 ( -7.182 0.000 0.000) 7.182 16.140 ( 19.921 0.000 0.000) 19.921 17.218 ( -0.818 0.000 0.000) 0.818 22.753 ( -0.161 0.000 0.000) 0.161 22.885 ( 1.043 0.000 0.000) 1.043 23.058 ( -4.129 0.000 0.000) 4.129 23.241 ( 1.195 0.000 0.000) 1.195 23.286 ( -7.383 0.000 0.000) 7.383 23.481 ( -0.937 0.000 0.000) 0.937 23.859 ( 15.062 0.000 0.000) 15.062 25.277 ( -3.172 0.000 0.000) 3.172 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 36.090 0.000 0.000) 36.090 1.443 ( 35.745 0.000 0.000) 35.745 2.383 ( 54.195 0.000 0.000) 54.195 3.893 ( -16.842 0.000 0.000) 16.842 3.966 ( -21.943 0.000 0.000) 21.943 4.279 ( 11.742 0.000 0.000) 11.742 6.127 ( -4.448 0.000 0.000) 4.448 6.222 ( 31.215 0.000 0.000) 31.215 6.874 ( -11.824 0.000 0.000) 11.824 7.853 ( 10.365 0.000 0.000) 10.365 7.929 ( 19.548 0.000 0.000) 19.548 8.633 ( -14.073 0.000 0.000) 14.073 9.024 ( -0.264 0.000 0.000) 0.264 9.681 ( -7.402 0.000 0.000) 7.402 9.755 ( -11.635 0.000 0.000) 11.635 9.898 ( -3.977 0.000 0.000) 3.977 9.998 ( 6.979 0.000 0.000) 6.979 10.397 ( -8.578 0.000 0.000) 8.578 11.419 ( -0.982 0.000 0.000) 0.982 11.455 ( 5.875 0.000 0.000) 5.875 11.805 ( -0.146 0.000 0.000) 0.146 12.212 ( 22.797 0.000 0.000) 22.797 12.387 ( -8.872 0.000 0.000) 8.872 12.433 ( -0.127 0.000 0.000) 0.127 12.808 ( -0.184 0.000 0.000) 0.184 12.864 ( 6.281 0.000 0.000) 6.281 13.043 ( -12.642 0.000 0.000) 12.642 13.115 ( 2.394 0.000 0.000) 2.394 13.721 ( 8.431 0.000 0.000) 8.431 13.795 ( 2.815 0.000 0.000) 2.815 13.870 ( 1.860 0.000 0.000) 1.860 14.031 ( -7.605 0.000 0.000) 7.605 14.084 ( -3.417 0.000 0.000) 3.417 14.475 ( 4.333 0.000 0.000) 4.333 14.675 ( 0.362 0.000 0.000) 0.362 14.723 ( -13.671 0.000 0.000) 13.671 14.946 ( -10.480 0.000 0.000) 10.480 15.330 ( -12.081 0.000 0.000) 12.081 16.509 ( 16.570 0.000 0.000) 16.570 17.188 ( -2.304 0.000 0.000) 2.304 22.749 ( -0.150 0.000 0.000) 0.150 22.917 ( 2.142 0.000 0.000) 2.142 22.947 ( -6.081 0.000 0.000) 6.081 23.179 ( -3.988 0.000 0.000) 3.988 23.274 ( 2.067 0.000 0.000) 2.067 23.452 ( -1.791 0.000 0.000) 1.791 24.179 ( 16.450 0.000 0.000) 16.450 25.181 ( -6.479 0.000 0.000) 6.479 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 36.065 0.000 0.000) 36.065 2.148 ( 34.716 0.000 0.000) 34.716 3.348 ( 30.294 0.000 0.000) 30.294 3.444 ( -29.042 0.000 0.000) 29.042 3.466 ( -14.285 0.000 0.000) 14.285 4.386 ( -3.986 0.000 0.000) 3.986 6.147 ( 5.899 0.000 0.000) 5.899 6.548 ( -8.900 0.000 0.000) 8.900 6.982 ( 31.872 0.000 0.000) 31.872 8.058 ( 10.064 0.000 0.000) 10.064 8.198 ( -1.833 0.000 0.000) 1.833 8.245 ( -15.870 0.000 0.000) 15.870 9.044 ( 3.642 0.000 0.000) 3.642 9.479 ( -13.551 0.000 0.000) 13.551 9.629 ( -1.406 0.000 0.000) 1.406 9.784 ( -6.574 0.000 0.000) 6.574 10.166 ( 8.882 0.000 0.000) 8.882 10.340 ( 1.156 0.000 0.000) 1.156 11.374 ( 1.567 0.000 0.000) 1.567 11.623 ( 8.525 0.000 0.000) 8.525 11.706 ( -7.381 0.000 0.000) 7.381 12.143 ( -15.501 0.000 0.000) 15.501 12.454 ( 2.774 0.000 0.000) 2.774 12.637 ( 13.836 0.000 0.000) 13.836 12.767 ( -10.151 0.000 0.000) 10.151 12.830 ( 1.370 0.000 0.000) 1.370 13.019 ( 6.865 0.000 0.000) 6.865 13.146 ( 0.451 0.000 0.000) 0.451 13.830 ( 0.912 0.000 0.000) 0.912 13.883 ( -0.270 0.000 0.000) 0.270 13.905 ( -2.447 0.000 0.000) 2.447 13.918 ( 8.374 0.000 0.000) 8.374 14.064 ( 3.281 0.000 0.000) 3.281 14.506 ( -3.410 0.000 0.000) 3.410 14.562 ( -6.125 0.000 0.000) 6.125 14.626 ( -5.119 0.000 0.000) 5.119 14.771 ( -1.903 0.000 0.000) 1.903 15.080 ( -11.950 0.000 0.000) 11.950 16.796 ( 12.080 0.000 0.000) 12.080 17.120 ( -4.686 0.000 0.000) 4.686 22.751 ( 0.532 0.000 0.000) 0.532 22.840 ( -4.329 0.000 0.000) 4.329 22.970 ( 3.034 0.000 0.000) 3.034 23.106 ( -3.518 0.000 0.000) 3.518 23.320 ( 2.402 0.000 0.000) 2.402 23.412 ( -2.145 0.000 0.000) 2.145 24.501 ( 15.447 0.000 0.000) 15.447 25.017 ( -9.874 0.000 0.000) 9.874 ======================= Grid point 4 (5/150) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -0.149 0.000 0.000) 0.149 2.806 ( 0.149 0.000 0.000) 0.149 2.842 ( -0.738 0.000 0.000) 0.738 2.842 ( 0.738 0.000 0.000) 0.738 4.080 ( -26.305 0.000 0.000) 26.305 4.080 ( 26.305 0.000 0.000) 26.305 6.326 ( -11.053 0.000 0.000) 11.053 6.326 ( 11.053 0.000 0.000) 11.053 7.651 ( -32.216 0.000 0.000) 32.216 7.651 ( 32.216 0.000 0.000) 32.216 8.226 ( -5.317 0.000 0.000) 5.317 8.226 ( 5.317 0.000 0.000) 5.317 9.202 ( -12.054 0.000 0.000) 12.054 9.202 ( 12.054 0.000 0.000) 12.054 9.667 ( -4.513 0.000 0.000) 4.513 9.667 ( 4.513 0.000 0.000) 4.513 10.315 ( -4.934 0.000 0.000) 4.934 10.315 ( 4.934 0.000 0.000) 4.934 11.520 ( -10.791 0.000 0.000) 10.791 11.520 ( 10.791 0.000 0.000) 10.791 11.829 ( -13.414 0.000 0.000) 13.414 11.829 ( 13.414 0.000 0.000) 13.414 12.554 ( -7.259 0.000 0.000) 7.259 12.554 ( 7.259 0.000 0.000) 7.259 12.826 ( -2.827 0.000 0.000) 2.827 12.826 ( 2.827 0.000 0.000) 2.827 13.125 ( -2.922 0.000 0.000) 2.922 13.125 ( 2.922 0.000 0.000) 2.922 13.866 ( -1.623 0.000 0.000) 1.623 13.866 ( 1.623 0.000 0.000) 1.623 13.926 ( -3.465 0.000 0.000) 3.465 13.926 ( 3.465 0.000 0.000) 3.465 14.293 ( -15.038 0.000 0.000) 15.038 14.293 ( 15.038 0.000 0.000) 15.038 14.520 ( -3.421 0.000 0.000) 3.421 14.520 ( 3.421 0.000 0.000) 3.421 14.874 ( -8.571 0.000 0.000) 8.571 14.874 ( 8.571 0.000 0.000) 8.571 16.995 ( -7.979 0.000 0.000) 7.979 16.995 ( 7.979 0.000 0.000) 7.979 22.776 ( -2.112 0.000 0.000) 2.112 22.776 ( 2.112 0.000 0.000) 2.112 23.036 ( -3.481 0.000 0.000) 3.481 23.036 ( 3.481 0.000 0.000) 3.481 23.367 ( -2.338 0.000 0.000) 2.338 23.367 ( 2.338 0.000 0.000) 2.338 24.788 ( -13.043 0.000 0.000) 13.043 24.788 ( 13.043 0.000 0.000) 13.043 ======================= Grid point 9 (6/150) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 33.039 0.000) 33.039 0.699 ( 0.000 33.162 0.000) 33.162 1.286 ( 0.000 60.182 0.000) 60.182 3.808 ( 0.000 -0.060 0.000) 0.060 4.261 ( 0.000 6.360 0.000) 6.360 4.483 ( 0.000 -5.700 0.000) 5.700 5.445 ( 0.000 -0.503 0.000) 0.503 6.499 ( 0.000 1.251 0.000) 1.251 6.972 ( 0.000 -19.705 0.000) 19.705 7.242 ( 0.000 -8.239 0.000) 8.239 7.423 ( 0.000 -3.801 0.000) 3.801 8.743 ( 0.000 -10.425 0.000) 10.425 9.095 ( 0.000 10.860 0.000) 10.860 9.739 ( 0.000 -8.436 0.000) 8.436 9.966 ( 0.000 -1.360 0.000) 1.360 10.006 ( 0.000 8.190 0.000) 8.190 10.351 ( 0.000 -7.602 0.000) 7.602 10.778 ( 0.000 -12.775 0.000) 12.775 10.858 ( 0.000 8.199 0.000) 8.199 11.320 ( 0.000 10.260 0.000) 10.260 11.551 ( 0.000 2.448 0.000) 2.448 12.019 ( 0.000 -3.264 0.000) 3.264 12.473 ( 0.000 3.316 0.000) 3.316 12.600 ( 0.000 -2.023 0.000) 2.023 12.659 ( 0.000 4.081 0.000) 4.081 12.845 ( 0.000 2.208 0.000) 2.208 12.977 ( 0.000 -2.241 0.000) 2.241 13.029 ( 0.000 5.898 0.000) 5.898 13.589 ( 0.000 -6.903 0.000) 6.903 13.618 ( 0.000 -13.694 0.000) 13.694 13.969 ( 0.000 -7.102 0.000) 7.102 14.163 ( 0.000 2.219 0.000) 2.219 14.373 ( 0.000 8.881 0.000) 8.881 14.524 ( 0.000 15.170 0.000) 15.170 14.890 ( 0.000 -1.072 0.000) 1.072 15.065 ( 0.000 -8.775 0.000) 8.775 15.371 ( 0.000 -0.513 0.000) 0.513 15.654 ( 0.000 3.793 0.000) 3.793 15.839 ( 0.000 0.605 0.000) 0.605 17.435 ( 0.000 3.171 0.000) 3.171 22.618 ( 0.000 0.786 0.000) 0.786 22.765 ( 0.000 0.853 0.000) 0.853 22.890 ( 0.000 1.460 0.000) 1.460 23.089 ( 0.000 -0.771 0.000) 0.771 23.254 ( 0.000 2.262 0.000) 2.262 23.462 ( 0.000 -1.635 0.000) 1.635 23.641 ( 0.000 2.075 0.000) 2.075 25.653 ( 0.000 -2.839 0.000) 2.839 ======================= Grid point 10 (7/150) ======================= q-point: ( 0.12 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 25.398 22.667 0.000) 34.042 1.025 ( 24.266 23.688 0.000) 33.911 1.743 ( 40.547 41.658 0.000) 58.134 3.935 ( 9.361 -2.340 0.000) 9.649 4.188 ( -5.278 6.836 0.000) 8.637 4.340 ( -12.969 -4.083 0.000) 13.597 5.621 ( 14.777 -5.158 0.000) 15.652 6.386 ( -4.629 7.513 0.000) 8.824 6.902 ( -7.816 -18.189 0.000) 19.797 7.398 ( 12.534 -12.245 0.000) 17.523 7.582 ( 14.794 -2.218 0.000) 14.959 8.667 ( -7.098 -12.799 0.000) 14.636 9.146 ( 3.302 11.020 0.000) 11.504 9.723 ( -2.360 -7.958 0.000) 8.300 9.952 ( -2.153 2.667 0.000) 3.428 9.979 ( -1.346 2.966 0.000) 3.257 10.108 ( -16.789 0.803 0.000) 16.809 10.599 ( -6.562 -1.340 0.000) 6.697 11.240 ( 16.059 -0.457 0.000) 16.066 11.403 ( 9.640 -3.815 0.000) 10.367 11.593 ( 4.869 6.820 0.000) 8.379 11.986 ( -2.928 -3.645 0.000) 4.675 12.447 ( -1.726 1.232 0.000) 2.121 12.510 ( -5.558 -1.114 0.000) 5.669 12.741 ( 4.117 1.144 0.000) 4.273 12.910 ( -3.041 1.470 0.000) 3.377 13.054 ( 4.084 -0.937 0.000) 4.190 13.107 ( 13.106 -2.787 0.000) 13.399 13.458 ( -8.265 -4.357 0.000) 9.343 13.634 ( -0.435 -13.073 0.000) 13.080 13.922 ( -1.688 -3.036 0.000) 3.474 14.096 ( -5.167 6.697 0.000) 8.458 14.425 ( 1.021 5.592 0.000) 5.684 14.547 ( 3.082 16.527 0.000) 16.811 14.696 ( -7.889 3.890 0.000) 8.796 14.997 ( -13.962 -7.721 0.000) 15.954 15.066 ( -12.802 -0.657 0.000) 12.819 15.684 ( -2.059 7.043 0.000) 7.338 16.127 ( 18.621 -0.793 0.000) 18.637 17.294 ( -7.129 5.390 0.000) 8.937 22.761 ( -0.164 0.741 0.000) 0.759 22.890 ( -0.115 0.273 0.000) 0.296 22.937 ( 10.216 -14.959 0.000) 18.115 23.078 ( 0.666 -1.690 0.000) 1.816 23.267 ( 1.268 2.100 0.000) 2.453 23.468 ( 1.708 1.338 0.000) 2.169 23.764 ( 12.290 -2.573 0.000) 12.557 25.469 ( -12.162 5.787 0.000) 13.468 ======================= Grid point 11 (8/150) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 30.015 12.920 0.000) 32.678 1.591 ( 31.458 13.496 0.000) 34.231 2.661 ( 47.345 24.481 0.000) 53.299 3.852 ( -16.797 -4.479 0.000) 17.384 3.967 ( -21.518 -0.068 0.000) 21.518 4.309 ( 11.274 4.185 0.000) 12.026 5.888 ( 9.708 -11.369 0.000) 14.950 6.491 ( 13.110 10.966 0.000) 17.092 6.735 ( -4.642 -9.254 0.000) 10.353 7.616 ( 9.343 -18.356 0.000) 20.597 7.938 ( 17.135 -0.663 0.000) 17.148 8.496 ( -8.933 -12.299 0.000) 15.201 9.147 ( -4.121 8.204 0.000) 9.181 9.653 ( -7.235 1.210 0.000) 7.336 9.749 ( -7.283 -7.327 0.000) 10.331 9.917 ( -6.549 6.918 0.000) 9.527 10.062 ( 6.884 5.827 0.000) 9.020 10.475 ( -3.804 5.287 0.000) 6.513 11.431 ( 5.694 -2.370 0.000) 6.167 11.478 ( -1.605 3.891 0.000) 4.209 11.811 ( 3.967 -0.267 0.000) 3.976 11.981 ( 9.800 -15.265 0.000) 18.140 12.355 ( -7.292 -2.020 0.000) 7.566 12.440 ( -1.150 0.031 0.000) 1.150 12.772 ( -0.380 -4.056 0.000) 4.074 12.920 ( 2.130 3.805 0.000) 4.360 13.014 ( -6.802 -1.373 0.000) 6.939 13.242 ( -1.110 7.029 0.000) 7.116 13.459 ( 9.682 -13.591 0.000) 16.687 13.656 ( 3.999 -10.701 0.000) 11.423 13.936 ( 2.401 1.392 0.000) 2.775 14.012 ( -2.228 7.283 0.000) 7.616 14.354 ( -7.224 7.766 0.000) 10.607 14.532 ( -11.455 -6.922 0.000) 13.384 14.627 ( 1.106 5.750 0.000) 5.855 14.752 ( -0.733 7.754 0.000) 7.789 14.887 ( -9.364 -1.552 0.000) 9.492 15.547 ( -10.537 13.597 0.000) 17.202 16.480 ( 16.145 -2.516 0.000) 16.340 17.193 ( -4.051 0.756 0.000) 4.121 22.754 ( -0.437 0.532 0.000) 0.688 22.872 ( -2.174 -3.121 0.000) 3.804 22.962 ( -0.598 -0.669 0.000) 0.897 23.101 ( -0.430 -4.859 0.000) 4.878 23.303 ( 2.314 2.432 0.000) 3.357 23.489 ( -0.309 3.644 0.000) 3.657 24.088 ( 18.042 -6.350 0.000) 19.127 25.248 ( -10.520 3.870 0.000) 11.210 ======================= Grid point 12 (9/150) ======================= q-point: ( 0.38 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 32.264 4.502 0.000) 32.577 2.237 ( 32.619 8.267 0.000) 33.651 3.382 ( -20.633 -2.286 0.000) 20.759 3.468 ( -26.495 2.228 0.000) 26.588 3.568 ( 31.938 14.369 0.000) 35.021 4.431 ( -1.760 5.056 0.000) 5.354 6.054 ( 8.220 -7.010 0.000) 10.804 6.440 ( -10.318 -10.477 0.000) 14.704 7.085 ( 28.307 6.973 0.000) 29.153 7.761 ( 3.288 -19.925 0.000) 20.195 8.147 ( 3.131 -6.995 0.000) 7.664 8.332 ( -7.655 4.995 0.000) 9.140 9.077 ( 0.874 1.072 0.000) 1.383 9.444 ( -11.204 -1.528 0.000) 11.307 9.692 ( -2.888 -3.128 0.000) 4.257 9.745 ( -8.540 6.976 0.000) 11.027 10.259 ( 12.133 8.604 0.000) 14.874 10.493 ( 3.314 11.284 0.000) 11.760 11.394 ( -0.541 0.590 0.000) 0.800 11.582 ( 6.376 -2.840 0.000) 6.980 11.734 ( -6.567 2.072 0.000) 6.887 12.022 ( -12.891 -15.105 0.000) 19.857 12.385 ( 11.291 -12.977 0.000) 17.202 12.443 ( 1.749 -1.195 0.000) 2.119 12.733 ( -6.075 -9.691 0.000) 11.438 12.754 ( -9.069 1.542 0.000) 9.200 13.057 ( 6.223 2.224 0.000) 6.608 13.224 ( -1.303 3.088 0.000) 3.352 13.654 ( 9.243 -10.670 0.000) 14.116 13.783 ( 6.542 -4.514 0.000) 7.949 13.938 ( -1.332 5.187 0.000) 5.356 14.094 ( 8.931 3.690 0.000) 9.663 14.157 ( -9.021 6.223 0.000) 10.959 14.396 ( -2.135 -8.535 0.000) 8.798 14.561 ( -6.391 -3.863 0.000) 7.468 14.637 ( -12.386 5.578 0.000) 13.584 14.888 ( 8.048 13.802 0.000) 15.977 15.307 ( -12.450 15.737 0.000) 20.066 16.763 ( 12.178 -2.908 0.000) 12.521 17.103 ( -5.369 -1.409 0.000) 5.550 22.750 ( 0.183 -0.101 0.000) 0.209 22.814 ( -2.966 -2.002 0.000) 3.578 22.979 ( 1.847 0.123 0.000) 1.851 23.072 ( -2.152 -2.703 0.000) 3.455 23.356 ( 2.860 3.186 0.000) 4.282 23.462 ( -2.072 4.427 0.000) 4.888 24.442 ( 17.019 -4.827 0.000) 17.690 25.026 ( -12.052 0.350 0.000) 12.057 ======================= Grid point 13 (10/150) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -31.410 -1.086 0.000) 31.429 2.804 ( 31.410 -1.086 0.000) 31.429 2.878 ( -31.028 4.925 0.000) 31.417 2.878 ( 31.028 4.925 0.000) 31.417 4.187 ( -22.700 9.904 0.000) 24.767 4.187 ( 22.700 9.904 0.000) 24.767 6.234 ( -9.808 -7.915 0.000) 12.603 6.234 ( 9.808 -7.915 0.000) 12.603 7.602 ( -19.610 -8.327 0.000) 21.305 7.602 ( 19.610 -8.327 0.000) 21.305 8.200 ( -3.992 1.626 0.000) 4.311 8.200 ( 3.992 1.626 0.000) 4.311 9.211 ( -5.123 -1.463 0.000) 5.328 9.211 ( 5.123 -1.463 0.000) 5.328 9.654 ( -0.050 1.506 0.000) 1.507 9.654 ( 0.050 1.506 0.000) 1.507 10.470 ( -4.300 12.967 0.000) 13.662 10.470 ( 4.300 12.967 0.000) 13.662 11.527 ( -11.242 -0.524 0.000) 11.254 11.527 ( 11.242 -0.524 0.000) 11.254 11.751 ( -8.778 -7.990 0.000) 11.870 11.751 ( 8.778 -7.990 0.000) 11.870 12.503 ( -0.836 -8.259 0.000) 8.301 12.503 ( 0.836 -8.259 0.000) 8.301 12.646 ( -2.130 -6.540 0.000) 6.879 12.646 ( 2.130 -6.540 0.000) 6.879 13.169 ( -4.340 2.061 0.000) 4.805 13.169 ( 4.340 2.061 0.000) 4.805 13.807 ( -1.566 -6.126 0.000) 6.323 13.807 ( 1.566 -6.126 0.000) 6.323 13.982 ( -3.144 2.319 0.000) 3.906 13.982 ( 3.144 2.319 0.000) 3.906 14.358 ( -8.591 6.253 0.000) 10.625 14.358 ( 8.591 6.253 0.000) 10.625 14.432 ( -3.766 -4.656 0.000) 5.989 14.432 ( 3.766 -4.656 0.000) 5.989 15.075 ( -9.434 15.484 0.000) 18.131 15.075 ( 9.434 15.484 0.000) 18.131 16.968 ( -8.230 -2.453 0.000) 8.588 16.968 ( 8.230 -2.453 0.000) 8.588 22.767 ( -0.901 -0.743 0.000) 1.168 22.767 ( 0.901 -0.743 0.000) 1.168 23.024 ( -1.033 -1.183 0.000) 1.571 23.024 ( 1.033 -1.183 0.000) 1.571 23.413 ( -2.751 4.020 0.000) 4.872 23.413 ( 2.751 4.020 0.000) 4.872 24.759 ( -13.950 -2.460 0.000) 14.165 24.759 ( 13.950 -2.460 0.000) 14.165 ======================= Grid point 18 (11/150) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 31.977 0.000) 31.977 1.357 ( 0.000 29.965 0.000) 29.965 2.454 ( 0.000 51.415 0.000) 51.415 3.794 ( 0.000 -1.565 0.000) 1.565 4.288 ( 0.000 -11.307 0.000) 11.307 4.385 ( 0.000 2.394 0.000) 2.394 5.370 ( 0.000 -8.359 0.000) 8.359 6.556 ( 0.000 2.768 0.000) 2.768 6.609 ( 0.000 -11.605 0.000) 11.605 7.084 ( 0.000 -3.629 0.000) 3.629 7.288 ( 0.000 -8.691 0.000) 8.691 8.408 ( 0.000 -19.794 0.000) 19.794 9.364 ( 0.000 12.985 0.000) 12.985 9.527 ( 0.000 -11.046 0.000) 11.046 9.800 ( 0.000 -13.050 0.000) 13.050 10.221 ( 0.000 11.410 0.000) 11.410 10.311 ( 0.000 2.352 0.000) 2.352 10.553 ( 0.000 -8.542 0.000) 8.542 11.015 ( 0.000 6.558 0.000) 6.558 11.477 ( 0.000 5.073 0.000) 5.073 11.564 ( 0.000 -1.529 0.000) 1.529 11.991 ( 0.000 -1.019 0.000) 1.019 12.513 ( 0.000 0.761 0.000) 0.761 12.558 ( 0.000 -1.527 0.000) 1.527 12.781 ( 0.000 7.058 0.000) 7.058 12.863 ( 0.000 -1.784 0.000) 1.784 12.927 ( 0.000 -1.567 0.000) 1.567 13.134 ( 0.000 1.937 0.000) 1.937 13.348 ( 0.000 -8.386 0.000) 8.386 13.444 ( 0.000 -5.658 0.000) 5.658 13.844 ( 0.000 -5.559 0.000) 5.559 14.218 ( 0.000 1.968 0.000) 1.968 14.557 ( 0.000 7.436 0.000) 7.436 14.846 ( 0.000 12.561 0.000) 12.561 14.864 ( 0.000 -8.568 0.000) 8.568 14.867 ( 0.000 1.755 0.000) 1.755 15.370 ( 0.000 0.565 0.000) 0.565 15.724 ( 0.000 2.707 0.000) 2.707 15.845 ( 0.000 -0.237 0.000) 0.237 17.513 ( 0.000 3.926 0.000) 3.926 22.641 ( 0.000 1.390 0.000) 1.390 22.785 ( 0.000 1.056 0.000) 1.056 22.926 ( 0.000 1.443 0.000) 1.443 23.077 ( 0.000 -0.022 0.000) 0.022 23.311 ( 0.000 2.925 0.000) 2.925 23.416 ( 0.000 -2.729 0.000) 2.729 23.704 ( 0.000 3.995 0.000) 3.995 25.572 ( 0.000 -4.758 0.000) 4.758 ======================= Grid point 19 (12/150) ======================= q-point: ( 0.12 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 15.581 27.788 0.000) 31.859 1.562 ( 16.698 26.700 0.000) 31.491 2.676 ( 22.015 44.594 0.000) 49.732 3.860 ( 2.487 -4.670 0.000) 5.291 4.200 ( -8.810 -9.642 0.000) 13.060 4.347 ( -0.547 6.863 0.000) 6.885 5.471 ( 8.944 -9.646 0.000) 13.154 6.447 ( -7.236 -13.694 0.000) 15.489 6.683 ( 5.593 11.287 0.000) 12.597 7.090 ( 3.952 -15.493 0.000) 15.989 7.531 ( 19.023 -2.342 0.000) 19.167 8.314 ( -7.931 -19.509 0.000) 21.059 9.342 ( -3.678 3.142 0.000) 4.838 9.565 ( 3.856 -3.500 0.000) 5.207 9.847 ( 2.879 -10.139 0.000) 10.540 10.095 ( -11.690 6.320 0.000) 13.289 10.227 ( -1.953 8.911 0.000) 9.122 10.563 ( -0.779 -2.189 0.000) 2.324 11.199 ( 13.527 -2.556 0.000) 13.766 11.380 ( -3.580 1.422 0.000) 3.852 11.704 ( 7.783 2.353 0.000) 8.131 11.940 ( -4.670 -1.964 0.000) 5.066 12.470 ( -5.174 0.842 0.000) 5.242 12.480 ( -4.475 -1.276 0.000) 4.653 12.785 ( -3.368 2.434 0.000) 4.156 12.881 ( 2.539 -1.484 0.000) 2.941 13.026 ( 9.195 -4.156 0.000) 10.090 13.116 ( -1.196 2.118 0.000) 2.433 13.380 ( 2.128 -8.397 0.000) 8.663 13.413 ( -2.242 -0.523 0.000) 2.302 13.849 ( 1.721 -4.051 0.000) 4.402 14.195 ( -2.376 2.916 0.000) 3.762 14.512 ( -5.098 4.170 0.000) 6.586 14.662 ( -7.915 -5.609 0.000) 9.701 14.840 ( -7.975 0.367 0.000) 7.983 14.972 ( 1.062 12.020 0.000) 12.067 15.092 ( -11.112 5.132 0.000) 12.240 15.766 ( 2.734 1.763 0.000) 3.253 16.110 ( 16.854 -0.963 0.000) 16.881 17.403 ( -8.962 4.812 0.000) 10.172 22.742 ( 6.747 -4.456 0.000) 8.086 22.785 ( -0.090 1.123 0.000) 1.126 22.894 ( -2.228 -0.147 0.000) 2.232 23.071 ( -0.579 -0.035 0.000) 0.580 23.322 ( 1.435 2.955 0.000) 3.285 23.509 ( 7.338 1.864 0.000) 7.571 23.744 ( 5.099 0.600 0.000) 5.134 25.485 ( -8.011 -2.481 0.000) 8.386 ======================= Grid point 20 (13/150) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 21.198 20.887 0.000) 29.760 1.955 ( 23.116 20.512 0.000) 30.904 3.268 ( 33.941 30.985 0.000) 45.957 3.724 ( -14.925 -6.336 0.000) 16.215 3.936 ( -17.306 -3.576 0.000) 17.671 4.472 ( 10.275 10.411 0.000) 14.627 5.687 ( 12.054 -8.815 0.000) 14.934 6.298 ( -7.540 -18.398 0.000) 19.884 6.838 ( 9.230 5.014 0.000) 10.504 7.259 ( 11.731 -10.359 0.000) 15.650 7.882 ( 10.901 -4.481 0.000) 11.786 8.218 ( 3.760 -12.084 0.000) 12.656 9.200 ( -9.647 -3.575 0.000) 10.288 9.606 ( -4.477 -4.351 0.000) 6.243 9.763 ( -5.128 5.891 0.000) 7.810 10.059 ( 2.102 5.727 0.000) 6.100 10.201 ( 1.769 7.410 0.000) 7.618 10.554 ( 2.701 1.485 0.000) 3.082 11.318 ( 0.151 -8.390 0.000) 8.392 11.476 ( 8.724 -3.248 0.000) 9.309 11.765 ( -4.795 -1.839 0.000) 5.135 11.856 ( -1.354 0.373 0.000) 1.405 12.321 ( -7.205 -0.985 0.000) 7.272 12.433 ( -1.303 -0.638 0.000) 1.451 12.673 ( -5.967 -2.659 0.000) 6.533 12.966 ( 4.722 0.818 0.000) 4.792 13.018 ( -7.251 -0.475 0.000) 7.267 13.245 ( 9.732 -4.783 0.000) 10.844 13.298 ( -4.191 -1.291 0.000) 4.386 13.521 ( 8.273 -4.053 0.000) 9.212 13.945 ( 7.695 -1.909 0.000) 7.928 14.127 ( -4.138 4.303 0.000) 5.970 14.333 ( -12.453 -7.378 0.000) 14.474 14.529 ( -11.130 4.801 0.000) 12.122 14.577 ( -5.361 -2.488 0.000) 5.910 14.883 ( -6.314 0.849 0.000) 6.371 15.136 ( 6.188 20.663 0.000) 21.570 15.756 ( -4.438 6.249 0.000) 7.664 16.425 ( 14.554 -2.435 0.000) 14.756 17.225 ( -8.136 2.183 0.000) 8.424 22.769 ( -1.551 0.172 0.000) 1.561 22.798 ( -0.382 -3.019 0.000) 3.043 22.901 ( 2.502 -3.581 0.000) 4.368 23.053 ( -1.225 -0.910 0.000) 1.527 23.367 ( 2.968 3.536 0.000) 4.617 23.594 ( 0.716 6.138 0.000) 6.179 23.974 ( 16.941 -4.428 0.000) 17.510 25.282 ( -11.855 -0.545 0.000) 11.867 ======================= Grid point 21 (14/150) ======================= q-point: ( 0.38 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 23.183 12.596 0.000) 26.384 2.470 ( 27.270 13.624 0.000) 30.484 3.307 ( -22.754 -2.730 0.000) 22.917 3.525 ( -23.333 2.694 0.000) 23.488 3.965 ( 30.930 21.445 0.000) 37.638 4.608 ( 1.002 11.353 0.000) 11.397 5.910 ( 9.027 -6.642 0.000) 11.208 6.155 ( -6.469 -15.787 0.000) 17.061 7.040 ( 11.307 -15.283 0.000) 19.011 7.410 ( -0.468 -12.625 0.000) 12.634 8.052 ( 13.193 2.546 0.000) 13.437 8.409 ( 6.965 2.335 0.000) 7.346 9.031 ( -4.244 -4.655 0.000) 6.299 9.401 ( -13.078 -2.291 0.000) 13.277 9.721 ( -1.082 5.362 0.000) 5.470 9.926 ( -10.295 8.666 0.000) 13.457 10.443 ( 18.381 6.609 0.000) 19.533 10.708 ( 10.524 7.685 0.000) 13.031 11.285 ( -4.139 -10.014 0.000) 10.836 11.551 ( -5.288 -16.172 0.000) 17.015 11.607 ( -4.483 -3.209 0.000) 5.513 11.785 ( -6.869 2.972 0.000) 7.484 12.258 ( 1.839 -2.416 0.000) 3.036 12.410 ( -1.846 -1.333 0.000) 2.277 12.584 ( -1.927 -2.040 0.000) 2.806 12.807 ( -10.989 2.429 0.000) 11.254 13.088 ( 6.168 0.644 0.000) 6.202 13.247 ( -1.837 -0.035 0.000) 1.837 13.440 ( 9.834 -9.092 0.000) 13.393 13.666 ( 4.492 -7.503 0.000) 8.745 13.993 ( -5.800 -5.254 0.000) 7.826 14.067 ( -6.216 -4.600 0.000) 7.733 14.205 ( 8.952 3.756 0.000) 9.708 14.405 ( -1.342 5.542 0.000) 5.702 14.483 ( -5.111 -1.335 0.000) 5.283 14.731 ( -8.953 3.411 0.000) 9.581 15.266 ( 6.892 19.785 0.000) 20.951 15.608 ( -9.376 12.275 0.000) 15.446 16.691 ( 12.066 -3.584 0.000) 12.587 17.073 ( -7.597 -1.340 0.000) 7.715 22.745 ( -0.464 -0.693 0.000) 0.833 22.779 ( -1.318 -0.742 0.000) 1.513 22.946 ( 2.039 -3.177 0.000) 3.775 23.023 ( -1.713 -1.840 0.000) 2.514 23.436 ( 3.744 4.131 0.000) 5.575 23.572 ( -2.394 5.618 0.000) 6.107 24.342 ( 18.766 -4.148 0.000) 19.219 25.018 ( -14.524 -1.092 0.000) 14.565 ======================= Grid point 22 (15/150) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -22.587 3.587 0.000) 22.871 2.817 ( 22.587 3.587 0.000) 22.871 3.023 ( -25.676 8.422 0.000) 27.022 3.023 ( 25.676 8.422 0.000) 27.022 4.457 ( -16.637 14.997 0.000) 22.399 4.457 ( 16.637 14.997 0.000) 22.399 6.042 ( -5.155 -9.976 0.000) 11.229 6.042 ( 5.155 -9.976 0.000) 11.229 7.274 ( -8.756 -20.689 0.000) 22.466 7.274 ( 8.756 -20.689 0.000) 22.466 8.346 ( -11.965 10.458 0.000) 15.892 8.346 ( 11.965 10.458 0.000) 15.892 9.125 ( -7.117 -5.046 0.000) 8.725 9.125 ( 7.117 -5.046 0.000) 8.725 9.759 ( -2.649 6.864 0.000) 7.357 9.759 ( 2.649 6.864 0.000) 7.357 10.776 ( -7.123 15.188 0.000) 16.775 10.776 ( 7.123 15.188 0.000) 16.775 11.294 ( -10.363 -22.739 0.000) 24.989 11.294 ( 10.363 -22.739 0.000) 24.989 11.656 ( -2.828 1.301 0.000) 3.113 11.656 ( 2.828 1.301 0.000) 3.113 12.339 ( -1.444 -3.807 0.000) 4.072 12.339 ( 1.444 -3.807 0.000) 4.072 12.629 ( -5.195 1.655 0.000) 5.452 12.629 ( 5.195 1.655 0.000) 5.452 13.193 ( -2.613 0.359 0.000) 2.638 13.193 ( 2.613 0.359 0.000) 2.638 13.626 ( -6.701 -10.641 0.000) 12.575 13.626 ( 6.701 -10.641 0.000) 12.575 13.962 ( -3.316 -4.039 0.000) 5.226 13.962 ( 3.316 -4.039 0.000) 5.226 14.363 ( -4.180 -0.908 0.000) 4.278 14.363 ( 4.180 -0.908 0.000) 4.278 14.527 ( -6.128 7.602 0.000) 9.764 14.527 ( 6.128 7.602 0.000) 9.764 15.421 ( -8.630 16.590 0.000) 18.700 15.421 ( 8.630 16.590 0.000) 18.700 16.906 ( -8.810 -3.228 0.000) 9.383 16.906 ( 8.810 -3.228 0.000) 9.383 22.753 ( -0.401 -0.508 0.000) 0.647 22.753 ( 0.401 -0.508 0.000) 0.647 22.986 ( -0.511 -2.416 0.000) 2.469 22.986 ( 0.511 -2.416 0.000) 2.469 23.511 ( -3.469 4.854 0.000) 5.966 23.511 ( 3.469 4.854 0.000) 5.966 24.702 ( -16.091 -2.665 0.000) 16.310 24.702 ( 16.091 -2.665 0.000) 16.310 ======================= Grid point 27 (16/150) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.000 23.267 0.000) 23.267 1.988 ( 0.000 29.258 0.000) 29.258 3.339 ( 0.000 31.673 0.000) 31.673 3.737 ( 0.000 -3.744 0.000) 3.744 3.981 ( 0.000 -17.103 0.000) 17.103 4.413 ( 0.000 1.573 0.000) 1.573 5.100 ( 0.000 -15.432 0.000) 15.432 6.519 ( 0.000 -5.469 0.000) 5.469 6.552 ( 0.000 4.668 0.000) 4.668 7.093 ( 0.000 -9.364 0.000) 9.364 7.199 ( 0.000 12.536 0.000) 12.536 7.988 ( 0.000 -19.516 0.000) 19.516 9.319 ( 0.000 -8.469 0.000) 8.469 9.538 ( 0.000 -10.360 0.000) 10.360 9.601 ( 0.000 9.681 0.000) 9.681 10.341 ( 0.000 -3.340 0.000) 3.340 10.362 ( 0.000 1.776 0.000) 1.776 10.515 ( 0.000 7.263 0.000) 7.263 11.109 ( 0.000 1.682 0.000) 1.682 11.503 ( 0.000 -3.827 0.000) 3.827 11.543 ( 0.000 1.645 0.000) 1.645 11.878 ( 0.000 -9.450 0.000) 9.450 12.525 ( 0.000 -1.800 0.000) 1.800 12.570 ( 0.000 4.885 0.000) 4.885 12.782 ( 0.000 -4.594 0.000) 4.594 12.838 ( 0.000 -2.305 0.000) 2.305 13.003 ( 0.000 8.943 0.000) 8.943 13.123 ( 0.000 1.657 0.000) 1.657 13.329 ( 0.000 2.432 0.000) 2.432 13.376 ( 0.000 -1.518 0.000) 1.518 13.727 ( 0.000 -5.714 0.000) 5.714 14.182 ( 0.000 -6.899 0.000) 6.899 14.574 ( 0.000 -3.162 0.000) 3.162 14.837 ( 0.000 -1.019 0.000) 1.019 14.858 ( 0.000 6.452 0.000) 6.452 15.156 ( 0.000 13.435 0.000) 13.435 15.391 ( 0.000 1.208 0.000) 1.208 15.765 ( 0.000 1.293 0.000) 1.293 15.820 ( 0.000 -2.372 0.000) 2.372 17.583 ( 0.000 2.668 0.000) 2.668 22.672 ( 0.000 1.482 0.000) 1.482 22.810 ( 0.000 1.440 0.000) 1.440 22.928 ( 0.000 -1.223 0.000) 1.223 23.100 ( 0.000 2.018 0.000) 2.018 23.357 ( 0.000 -2.698 0.000) 2.698 23.364 ( 0.000 2.068 0.000) 2.068 23.796 ( 0.000 4.507 0.000) 4.507 25.470 ( 0.000 -4.746 0.000) 4.746 ======================= Grid point 28 (17/150) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 12.593 23.009 0.000) 26.229 2.098 ( 10.881 25.925 0.000) 28.116 3.463 ( 12.563 28.237 0.000) 30.906 3.760 ( -0.608 -4.324 0.000) 4.367 3.944 ( -3.786 -14.193 0.000) 14.689 4.458 ( 6.521 4.919 0.000) 8.168 5.203 ( 9.660 -15.455 0.000) 18.226 6.238 ( -13.222 -3.854 0.000) 13.772 6.796 ( -3.772 -12.529 0.000) 13.085 6.971 ( 13.071 12.000 0.000) 17.744 7.549 ( 21.308 5.432 0.000) 21.989 7.912 ( -5.467 -18.564 0.000) 19.352 9.246 ( -6.435 -6.871 0.000) 9.414 9.593 ( 3.336 -8.182 0.000) 8.836 9.634 ( 2.832 1.636 0.000) 3.270 10.234 ( -5.103 6.923 0.000) 8.601 10.393 ( 1.634 2.990 0.000) 3.407 10.505 ( -3.233 -1.135 0.000) 3.426 11.174 ( 4.572 -0.185 0.000) 4.576 11.418 ( -2.130 1.660 0.000) 2.701 11.683 ( 7.111 -4.421 0.000) 8.373 11.829 ( -3.478 -7.306 0.000) 8.092 12.458 ( -5.969 -1.304 0.000) 6.110 12.513 ( -4.408 3.286 0.000) 5.498 12.802 ( -0.819 0.560 0.000) 0.992 12.887 ( 4.144 -2.921 0.000) 5.070 12.983 ( -1.342 5.337 0.000) 5.503 13.142 ( 3.398 0.803 0.000) 3.492 13.317 ( -0.785 1.767 0.000) 1.934 13.407 ( 0.966 -1.340 0.000) 1.652 13.755 ( 3.448 -4.901 0.000) 5.992 14.175 ( -0.824 -6.054 0.000) 6.109 14.530 ( -4.775 -3.734 0.000) 6.062 14.598 ( -16.349 3.627 0.000) 16.747 14.833 ( -4.215 -0.190 0.000) 4.220 15.111 ( -12.976 3.865 0.000) 13.539 15.350 ( 8.453 14.275 0.000) 16.590 15.780 ( 2.577 -0.197 0.000) 2.585 16.082 ( 16.649 -1.731 0.000) 16.738 17.485 ( -8.993 2.961 0.000) 9.468 22.690 ( 1.455 -1.127 0.000) 1.840 22.817 ( 0.527 1.694 0.000) 1.774 22.884 ( -3.393 -0.603 0.000) 3.446 23.064 ( -2.140 -0.767 0.000) 2.273 23.380 ( 2.143 2.480 0.000) 3.278 23.528 ( 13.667 0.135 0.000) 13.667 23.790 ( -0.428 3.370 0.000) 3.397 25.412 ( -5.736 -3.897 0.000) 6.935 ======================= Grid point 29 (18/150) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 15.563 21.475 0.000) 26.521 2.387 ( 17.063 20.275 0.000) 26.499 3.611 ( -10.684 -0.753 0.000) 10.710 3.787 ( -2.457 -4.332 0.000) 4.980 3.890 ( 16.041 17.270 0.000) 23.570 4.675 ( 12.289 8.195 0.000) 14.771 5.456 ( 14.738 -14.721 0.000) 20.831 6.016 ( -8.564 -5.567 0.000) 10.215 6.648 ( -5.890 -16.029 0.000) 17.077 7.275 ( 5.307 2.452 0.000) 5.846 7.810 ( 11.710 -1.583 0.000) 11.816 8.081 ( 21.385 0.439 0.000) 21.389 9.091 ( -8.437 -4.695 0.000) 9.655 9.563 ( -5.519 -0.993 0.000) 5.607 9.717 ( 3.542 -8.306 0.000) 9.030 10.225 ( 4.173 9.313 0.000) 10.205 10.323 ( -10.122 1.653 0.000) 10.256 10.510 ( 7.321 -4.375 0.000) 8.529 11.209 ( -0.729 -0.780 0.000) 1.068 11.427 ( -0.497 -1.034 0.000) 1.147 11.680 ( -3.568 -5.800 0.000) 6.809 11.876 ( 4.610 0.478 0.000) 4.635 12.312 ( -7.787 -0.337 0.000) 7.794 12.431 ( -3.092 0.504 0.000) 3.133 12.727 ( -4.976 6.932 0.000) 8.533 12.940 ( -2.177 -2.803 0.000) 3.549 12.995 ( 4.530 0.661 0.000) 4.578 13.244 ( 4.654 0.891 0.000) 4.738 13.276 ( -3.026 1.184 0.000) 3.249 13.420 ( 1.900 -6.100 0.000) 6.389 13.843 ( 2.651 -8.023 0.000) 8.450 14.135 ( -5.289 -2.551 0.000) 5.872 14.252 ( -10.010 -1.377 0.000) 10.104 14.467 ( -3.618 -2.589 0.000) 4.449 14.697 ( -7.422 5.978 0.000) 9.530 14.917 ( -6.785 2.356 0.000) 7.183 15.515 ( 6.989 15.171 0.000) 16.703 15.825 ( 0.987 1.151 0.000) 1.517 16.386 ( 13.498 -1.329 0.000) 13.563 17.270 ( -11.426 1.839 0.000) 11.573 22.711 ( 0.467 -2.927 0.000) 2.964 22.817 ( -1.147 2.194 0.000) 2.476 22.845 ( 0.505 -1.829 0.000) 1.898 23.024 ( -2.062 -2.103 0.000) 2.945 23.437 ( 3.415 2.917 0.000) 4.492 23.721 ( -0.179 5.505 0.000) 5.508 23.905 ( 16.868 -2.176 0.000) 17.008 25.246 ( -10.730 -2.383 0.000) 10.991 ======================= Grid point 30 (19/150) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 15.566 17.238 0.000) 23.226 2.770 ( 20.398 14.549 0.000) 25.055 3.327 ( -16.014 4.855 0.000) 16.734 3.554 ( -15.588 -0.298 0.000) 15.591 4.366 ( 23.630 15.337 0.000) 28.171 4.837 ( 2.357 8.773 0.000) 9.084 5.721 ( 9.542 -13.631 0.000) 16.639 5.903 ( -3.170 -4.436 0.000) 5.452 6.628 ( 5.335 -20.490 0.000) 21.173 7.141 ( -13.081 -12.699 0.000) 18.231 8.246 ( 24.968 11.910 0.000) 27.664 8.454 ( 13.993 3.631 0.000) 14.457 8.946 ( -4.521 -2.238 0.000) 5.045 9.384 ( -12.983 0.157 0.000) 12.984 9.765 ( 2.190 -3.281 0.000) 3.945 10.055 ( -12.764 1.764 0.000) 12.885 10.452 ( 16.052 -4.249 0.000) 16.605 10.713 ( 11.224 -7.554 0.000) 13.529 11.170 ( -3.407 0.937 0.000) 3.534 11.287 ( -12.514 -1.703 0.000) 12.629 11.657 ( 0.478 2.069 0.000) 2.124 11.858 ( -6.921 3.658 0.000) 7.828 12.229 ( 1.268 -0.685 0.000) 1.441 12.392 ( -1.956 -0.864 0.000) 2.138 12.649 ( -1.683 7.198 0.000) 7.392 12.840 ( -7.712 0.987 0.000) 7.775 13.084 ( 4.850 -0.797 0.000) 4.916 13.239 ( -1.383 -0.861 0.000) 1.629 13.309 ( 3.549 -3.061 0.000) 4.687 13.472 ( 0.682 -10.738 0.000) 10.760 13.796 ( -3.182 -10.618 0.000) 11.084 13.971 ( -7.312 -4.829 0.000) 8.763 14.286 ( 6.323 1.624 0.000) 6.529 14.406 ( -2.312 -0.251 0.000) 2.326 14.600 ( -1.540 7.200 0.000) 7.363 14.789 ( -6.521 2.209 0.000) 6.885 15.630 ( 4.832 14.407 0.000) 15.195 15.802 ( -3.129 6.569 0.000) 7.276 16.631 ( 11.339 -2.006 0.000) 11.515 17.051 ( -10.435 -0.814 0.000) 10.467 22.720 ( 0.815 -1.277 0.000) 1.515 22.786 ( -1.809 0.835 0.000) 1.992 22.879 ( 2.369 -2.601 0.000) 3.518 22.979 ( -2.387 -2.567 0.000) 3.505 23.513 ( 4.118 3.110 0.000) 5.160 23.674 ( -3.386 3.890 0.000) 5.157 24.284 ( 19.478 -1.419 0.000) 19.530 24.989 ( -14.810 -1.480 0.000) 14.884 ======================= Grid point 31 (20/150) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -13.158 11.078 0.000) 17.200 2.975 ( 13.158 11.078 0.000) 17.200 3.201 ( -17.918 8.148 0.000) 19.684 3.201 ( 17.918 8.148 0.000) 19.684 4.739 ( -12.308 10.350 0.000) 16.081 4.739 ( 12.308 10.350 0.000) 16.081 5.840 ( -3.416 -8.812 0.000) 9.451 5.840 ( 3.416 -8.812 0.000) 9.451 6.851 ( -13.278 -18.268 0.000) 22.584 6.851 ( 13.278 -18.268 0.000) 22.584 8.570 ( -4.837 10.705 0.000) 11.747 8.570 ( 4.837 10.705 0.000) 11.747 9.055 ( -13.864 -1.429 0.000) 13.937 9.055 ( 13.864 -1.429 0.000) 13.937 9.851 ( -5.830 -0.006 0.000) 5.830 9.851 ( 5.830 -0.006 0.000) 5.830 10.790 ( -10.135 -18.651 0.000) 21.227 10.790 ( 10.135 -18.651 0.000) 21.227 11.088 ( -0.971 11.189 0.000) 11.231 11.088 ( 0.971 11.189 0.000) 11.231 11.708 ( -4.033 2.864 0.000) 4.947 11.708 ( 4.033 2.864 0.000) 4.947 12.314 ( -3.759 0.074 0.000) 3.760 12.314 ( 3.759 0.074 0.000) 3.760 12.691 ( -3.606 4.406 0.000) 5.694 12.691 ( 3.606 4.406 0.000) 5.694 13.183 ( -2.324 -1.616 0.000) 2.830 13.183 ( 2.324 -1.616 0.000) 2.830 13.406 ( -3.083 -9.429 0.000) 9.920 13.406 ( 3.083 -9.429 0.000) 9.920 13.836 ( -4.204 -7.304 0.000) 8.428 13.836 ( 4.204 -7.304 0.000) 8.428 14.370 ( -1.561 1.020 0.000) 1.865 14.370 ( 1.561 1.020 0.000) 1.865 14.655 ( -2.782 4.672 0.000) 5.437 14.655 ( 2.782 4.672 0.000) 5.437 15.721 ( -3.962 11.790 0.000) 12.438 15.721 ( 3.962 11.790 0.000) 12.438 16.846 ( -9.436 -2.332 0.000) 9.720 16.846 ( 9.436 -2.332 0.000) 9.720 22.748 ( -1.254 0.032 0.000) 1.255 22.748 ( 1.254 0.032 0.000) 1.255 22.929 ( -1.066 -2.826 0.000) 3.021 22.929 ( 1.066 -2.826 0.000) 3.021 23.597 ( -3.868 3.298 0.000) 5.083 23.597 ( 3.868 3.298 0.000) 5.083 24.661 ( -17.459 -1.286 0.000) 17.507 24.661 ( 17.459 -1.286 0.000) 17.507 ======================= Grid point 36 (21/150) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 9.753 0.000) 9.753 2.503 ( 0.000 17.415 0.000) 17.415 3.573 ( 0.000 -10.145 0.000) 10.145 3.661 ( 0.000 -2.721 0.000) 2.721 3.774 ( 0.000 3.144 0.000) 3.144 4.500 ( 0.000 5.025 0.000) 5.025 4.844 ( 0.000 -7.207 0.000) 7.207 6.420 ( 0.000 -2.858 0.000) 2.858 6.699 ( 0.000 6.583 0.000) 6.583 6.937 ( 0.000 -4.809 0.000) 4.809 7.427 ( 0.000 6.630 0.000) 6.630 7.663 ( 0.000 -9.872 0.000) 9.872 9.193 ( 0.000 -3.316 0.000) 3.316 9.416 ( 0.000 -1.830 0.000) 1.830 9.751 ( 0.000 4.191 0.000) 4.191 10.259 ( 0.000 -2.742 0.000) 2.742 10.380 ( 0.000 0.138 0.000) 0.138 10.651 ( 0.000 3.867 0.000) 3.867 11.065 ( 0.000 -3.998 0.000) 3.998 11.450 ( 0.000 -0.650 0.000) 0.650 11.559 ( 0.000 0.232 0.000) 0.232 11.717 ( 0.000 -4.314 0.000) 4.314 12.494 ( 0.000 -0.868 0.000) 0.868 12.653 ( 0.000 2.198 0.000) 2.198 12.707 ( 0.000 -2.084 0.000) 2.084 12.789 ( 0.000 -1.550 0.000) 1.550 13.193 ( 0.000 8.175 0.000) 8.175 13.225 ( 0.000 5.294 0.000) 5.294 13.336 ( 0.000 -3.373 0.000) 3.373 13.377 ( 0.000 2.035 0.000) 2.035 13.626 ( 0.000 -3.138 0.000) 3.138 13.982 ( 0.000 -8.622 0.000) 8.622 14.547 ( 0.000 -0.077 0.000) 0.077 14.822 ( 0.000 -0.365 0.000) 0.365 14.975 ( 0.000 3.378 0.000) 3.378 15.378 ( 0.000 6.870 0.000) 6.870 15.411 ( 0.000 0.532 0.000) 0.532 15.757 ( 0.000 -2.864 0.000) 2.864 15.781 ( 0.000 0.360 0.000) 0.360 17.620 ( 0.000 0.875 0.000) 0.875 22.696 ( 0.000 0.681 0.000) 0.681 22.845 ( 0.000 1.972 0.000) 1.972 22.890 ( 0.000 -2.178 0.000) 2.178 23.137 ( 0.000 1.102 0.000) 1.102 23.315 ( 0.000 -1.171 0.000) 1.171 23.393 ( 0.000 0.700 0.000) 0.700 23.870 ( 0.000 2.083 0.000) 2.083 25.395 ( 0.000 -2.078 0.000) 2.078 ======================= Grid point 37 (22/150) ======================= q-point: ( 0.12 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 11.805 9.178 0.000) 14.953 2.575 ( 7.031 16.446 0.000) 17.886 3.567 ( -0.266 -10.636 0.000) 10.639 3.708 ( 2.084 -2.202 0.000) 3.032 3.874 ( 10.175 5.674 0.000) 11.650 4.576 ( 8.019 4.788 0.000) 9.339 4.932 ( 8.614 -7.971 0.000) 11.736 6.236 ( -11.721 1.585 0.000) 11.827 6.591 ( -12.212 -6.293 0.000) 13.738 7.162 ( 20.636 7.158 0.000) 21.842 7.578 ( -6.945 -11.600 0.000) 13.520 7.700 ( 22.224 5.253 0.000) 22.836 9.144 ( -4.382 -2.663 0.000) 5.128 9.437 ( 1.665 -3.552 0.000) 3.923 9.730 ( -1.713 4.507 0.000) 4.822 10.275 ( -3.689 -7.621 0.000) 8.467 10.354 ( 2.738 3.673 0.000) 4.581 10.570 ( -6.721 2.672 0.000) 7.233 11.164 ( 7.185 -0.803 0.000) 7.229 11.444 ( 0.423 1.046 0.000) 1.128 11.559 ( -1.823 -4.586 0.000) 4.935 11.743 ( 4.264 -1.495 0.000) 4.519 12.426 ( -5.539 -1.236 0.000) 5.675 12.562 ( -6.381 1.044 0.000) 6.466 12.793 ( 6.712 -1.015 0.000) 6.788 12.868 ( 4.287 0.472 0.000) 4.313 13.122 ( -4.823 6.212 0.000) 7.865 13.194 ( -1.751 3.394 0.000) 3.819 13.329 ( -1.691 -4.792 0.000) 5.081 13.410 ( 1.341 5.497 0.000) 5.658 13.644 ( 1.330 -5.793 0.000) 5.943 14.014 ( 3.500 -6.030 0.000) 6.972 14.506 ( -4.022 0.070 0.000) 4.023 14.656 ( -21.666 1.564 0.000) 21.722 14.831 ( -2.346 -0.010 0.000) 2.346 15.171 ( -11.732 1.627 0.000) 11.844 15.585 ( 9.323 7.384 0.000) 11.893 15.760 ( 2.410 -1.631 0.000) 2.910 16.047 ( 17.463 -1.255 0.000) 17.509 17.524 ( -8.989 0.924 0.000) 9.037 22.680 ( -1.091 -0.135 0.000) 1.099 22.843 ( -0.851 0.544 0.000) 1.010 22.879 ( -0.535 0.237 0.000) 0.585 23.043 ( -4.792 -0.918 0.000) 4.879 23.417 ( 2.427 0.961 0.000) 2.610 23.526 ( 15.798 -0.103 0.000) 15.798 23.851 ( -1.797 1.879 0.000) 2.600 25.348 ( -4.728 -1.811 0.000) 5.063 ======================= Grid point 38 (23/150) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 14.133 8.543 0.000) 16.514 2.774 ( 12.386 13.976 0.000) 18.674 3.543 ( -2.943 -7.688 0.000) 8.232 3.678 ( -4.891 0.464 0.000) 4.913 4.172 ( 18.731 6.557 0.000) 19.846 4.782 ( 10.064 1.395 0.000) 10.161 5.186 ( 16.298 -7.257 0.000) 17.841 6.050 ( -6.177 6.301 0.000) 8.824 6.335 ( -11.471 -12.574 0.000) 17.020 7.265 ( -12.888 -1.304 0.000) 12.953 7.778 ( 28.641 -1.323 0.000) 28.671 8.189 ( 24.502 5.410 0.000) 25.092 9.046 ( -4.905 -0.151 0.000) 4.907 9.451 ( -1.227 -6.383 0.000) 6.500 9.701 ( -0.958 6.001 0.000) 6.077 10.121 ( -9.490 -12.998 0.000) 16.093 10.411 ( -4.463 5.220 0.000) 6.868 10.495 ( 5.541 0.528 0.000) 5.567 11.244 ( 0.589 2.288 0.000) 2.363 11.430 ( -4.587 0.723 0.000) 4.644 11.575 ( 6.332 -3.447 0.000) 7.209 11.874 ( 6.999 -0.306 0.000) 7.005 12.297 ( -6.921 -0.788 0.000) 6.966 12.439 ( -5.214 0.184 0.000) 5.217 12.870 ( -2.713 4.584 0.000) 5.327 12.930 ( 3.664 0.372 0.000) 3.683 13.039 ( -2.134 5.506 0.000) 5.905 13.206 ( 1.251 -7.413 0.000) 7.518 13.272 ( -1.826 -0.870 0.000) 2.023 13.393 ( -3.310 5.572 0.000) 6.482 13.640 ( -2.234 -9.791 0.000) 10.042 14.118 ( 2.942 0.808 0.000) 3.051 14.200 ( -15.169 -2.829 0.000) 15.430 14.451 ( -2.932 0.089 0.000) 2.933 14.778 ( -3.372 1.875 0.000) 3.858 14.964 ( -8.765 1.575 0.000) 8.905 15.742 ( 6.268 6.462 0.000) 9.002 15.825 ( 3.602 -0.977 0.000) 3.733 16.369 ( 14.012 -0.354 0.000) 14.016 17.295 ( -12.973 0.574 0.000) 12.986 22.671 ( 0.517 -0.947 0.000) 1.079 22.815 ( -1.338 -0.656 0.000) 1.490 22.873 ( -0.373 2.475 0.000) 2.503 22.971 ( -2.820 -2.535 0.000) 3.792 23.479 ( 3.626 1.059 0.000) 3.778 23.799 ( -2.991 1.782 0.000) 3.481 23.884 ( 18.978 -0.098 0.000) 18.978 25.204 ( -9.625 -1.211 0.000) 9.701 ======================= Grid point 39 (24/150) ======================= q-point: ( 0.38 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( 13.144 8.007 0.000) 15.391 3.045 ( 14.104 10.557 0.000) 17.617 3.424 ( -8.826 0.340 0.000) 8.833 3.541 ( -8.598 1.420 0.000) 8.714 4.559 ( 18.119 3.905 0.000) 18.535 4.907 ( 1.766 -1.421 0.000) 2.267 5.500 ( 13.053 -4.892 0.000) 13.939 5.927 ( -9.070 4.541 0.000) 10.143 6.271 ( 8.637 -12.320 0.000) 15.046 6.948 ( -17.587 -5.046 0.000) 18.297 8.386 ( 29.707 2.188 0.000) 29.787 8.600 ( 15.342 6.883 0.000) 16.815 8.964 ( -3.007 3.053 0.000) 4.285 9.349 ( -10.107 -4.065 0.000) 10.894 9.691 ( 0.275 1.544 0.000) 1.569 9.915 ( -10.613 -12.617 0.000) 16.487 10.403 ( 5.698 -0.046 0.000) 5.698 10.600 ( 2.916 -1.688 0.000) 3.370 11.240 ( -0.054 2.964 0.000) 2.964 11.331 ( -4.416 2.407 0.000) 5.030 11.685 ( 3.368 0.754 0.000) 3.451 11.913 ( -5.742 1.377 0.000) 5.904 12.221 ( 2.078 -0.179 0.000) 2.085 12.374 ( -1.704 -0.631 0.000) 1.817 12.787 ( -3.424 3.441 0.000) 4.854 12.893 ( -5.195 5.058 0.000) 7.251 13.074 ( 2.306 0.571 0.000) 2.376 13.170 ( -2.307 -7.385 0.000) 7.737 13.292 ( -1.816 0.460 0.000) 1.874 13.308 ( -1.132 -2.248 0.000) 2.517 13.608 ( 1.312 -6.199 0.000) 6.336 13.885 ( -10.791 -2.716 0.000) 11.127 14.289 ( 6.794 -0.267 0.000) 6.799 14.417 ( -0.821 0.463 0.000) 0.942 14.714 ( -2.211 3.316 0.000) 3.985 14.817 ( -6.182 0.419 0.000) 6.196 15.839 ( 3.657 5.674 0.000) 6.751 15.883 ( 1.825 1.333 0.000) 2.260 16.609 ( 10.553 -0.294 0.000) 10.557 17.038 ( -12.230 -0.368 0.000) 12.236 22.701 ( 2.273 -0.516 0.000) 2.331 22.792 ( -1.350 -0.315 0.000) 1.386 22.866 ( 0.016 1.424 0.000) 1.424 22.920 ( -2.275 -2.861 0.000) 3.655 23.558 ( 4.153 1.110 0.000) 4.299 23.727 ( -4.021 1.244 0.000) 4.209 24.273 ( 19.433 -0.020 0.000) 19.433 24.966 ( -14.156 -0.637 0.000) 14.170 ======================= Grid point 40 (25/150) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -9.161 7.189 0.000) 11.645 3.194 ( 9.161 7.189 0.000) 11.645 3.335 ( -10.403 4.147 0.000) 11.199 3.335 ( 10.403 4.147 0.000) 11.199 4.838 ( -8.873 0.261 0.000) 8.877 4.838 ( 8.873 0.261 0.000) 8.877 5.721 ( -10.367 -2.339 0.000) 10.627 5.721 ( 10.367 -2.339 0.000) 10.627 6.580 ( -18.366 -6.969 0.000) 19.644 6.580 ( 18.366 -6.969 0.000) 19.644 8.771 ( -1.534 7.325 0.000) 7.484 8.771 ( 1.534 7.325 0.000) 7.484 9.043 ( -16.035 -0.526 0.000) 16.044 9.043 ( 16.035 -0.526 0.000) 16.044 9.744 ( -5.529 -6.848 0.000) 8.802 9.744 ( 5.529 -6.848 0.000) 8.802 10.564 ( -6.261 -3.702 0.000) 7.273 10.564 ( 6.261 -3.702 0.000) 7.273 11.262 ( -2.395 4.563 0.000) 5.154 11.262 ( 2.395 4.563 0.000) 5.154 11.757 ( -5.796 1.510 0.000) 5.989 11.757 ( 5.796 1.510 0.000) 5.989 12.317 ( -4.745 0.034 0.000) 4.745 12.317 ( 4.745 0.034 0.000) 4.745 12.789 ( -2.032 3.810 0.000) 4.318 12.789 ( 2.032 3.810 0.000) 4.318 13.115 ( -2.604 -3.666 0.000) 4.497 13.115 ( 2.604 -3.666 0.000) 4.497 13.287 ( -0.542 -2.062 0.000) 2.132 13.287 ( 0.542 -2.062 0.000) 2.132 13.705 ( -6.624 -4.083 0.000) 7.781 13.705 ( 6.624 -4.083 0.000) 7.781 14.387 ( -2.662 0.471 0.000) 2.703 14.387 ( 2.662 0.471 0.000) 2.703 14.720 ( -1.635 1.587 0.000) 2.279 14.720 ( 1.635 1.587 0.000) 2.279 15.889 ( -0.737 4.185 0.000) 4.249 15.889 ( 0.737 4.185 0.000) 4.249 16.813 ( -10.133 -0.789 0.000) 10.163 16.813 ( 10.133 -0.789 0.000) 10.163 22.752 ( -2.433 0.231 0.000) 2.444 22.752 ( 2.433 0.231 0.000) 2.444 22.882 ( -0.839 -1.420 0.000) 1.650 22.882 ( 0.839 -1.420 0.000) 1.650 23.643 ( -4.234 1.103 0.000) 4.375 23.643 ( 4.234 1.103 0.000) 4.375 24.646 ( -17.551 -0.253 0.000) 17.552 24.646 ( 17.551 -0.253 0.000) 17.552 ======================= Grid point 81 (26/150) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 0.000 33.036) 33.036 0.722 ( 0.000 0.000 35.262) 35.262 1.295 ( 0.000 0.000 62.507) 62.507 3.817 ( 0.000 0.000 0.795) 0.795 4.152 ( 0.000 0.000 -2.993) 2.993 4.509 ( 0.000 0.000 -2.950) 2.950 5.438 ( 0.000 0.000 -0.884) 0.884 6.462 ( 0.000 0.000 -3.426) 3.426 7.059 ( 0.000 0.000 -24.909) 24.909 7.141 ( 0.000 0.000 -24.458) 24.458 7.204 ( 0.000 0.000 -3.060) 3.060 8.676 ( 0.000 0.000 -14.333) 14.333 9.217 ( 0.000 0.000 15.307) 15.307 9.657 ( 0.000 0.000 -17.905) 17.905 9.662 ( 0.000 0.000 -23.983) 23.983 9.837 ( 0.000 0.000 -0.586) 0.586 10.552 ( 0.000 0.000 -16.764) 16.764 10.659 ( 0.000 0.000 16.539) 16.539 11.118 ( 0.000 0.000 7.023) 7.023 11.224 ( 0.000 0.000 10.090) 10.090 11.748 ( 0.000 0.000 18.283) 18.283 11.923 ( 0.000 0.000 -14.094) 14.094 12.606 ( 0.000 0.000 -0.947) 0.947 12.626 ( 0.000 0.000 0.740) 0.740 12.742 ( 0.000 0.000 -3.697) 3.697 12.915 ( 0.000 0.000 0.036) 0.036 13.203 ( 0.000 0.000 14.927) 14.927 13.422 ( 0.000 0.000 2.613) 2.613 13.606 ( 0.000 0.000 2.241) 2.241 13.660 ( 0.000 0.000 -0.653) 0.653 14.115 ( 0.000 0.000 0.673) 0.673 14.300 ( 0.000 0.000 5.573) 5.573 14.339 ( 0.000 0.000 4.304) 4.304 14.517 ( 0.000 0.000 7.514) 7.514 14.891 ( 0.000 0.000 -0.900) 0.900 15.193 ( 0.000 0.000 2.351) 2.351 15.470 ( 0.000 0.000 4.027) 4.027 15.550 ( 0.000 0.000 0.904) 0.904 15.839 ( 0.000 0.000 0.676) 0.676 16.675 ( 0.000 0.000 1.805) 1.805 22.625 ( 0.000 0.000 1.581) 1.581 22.861 ( 0.000 0.000 1.283) 1.283 23.174 ( 0.000 0.000 7.281) 7.281 23.215 ( 0.000 0.000 1.309) 1.309 23.413 ( 0.000 0.000 -1.233) 1.233 23.455 ( 0.000 0.000 -2.411) 2.411 23.644 ( 0.000 0.000 -0.850) 0.850 25.298 ( 0.000 0.000 -4.130) 4.130 ======================= Grid point 82 (27/150) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 25.150 0.000 23.340) 34.311 0.991 ( 12.726 0.000 36.244) 38.413 1.700 ( 45.561 0.000 36.420) 58.328 3.947 ( 10.331 0.000 -0.966) 10.376 4.096 ( -5.763 0.000 -2.302) 6.206 4.362 ( -11.884 0.000 -1.477) 11.976 5.661 ( 20.450 0.000 -1.961) 20.544 6.292 ( -12.197 0.000 -2.035) 12.366 6.888 ( -9.719 0.000 -20.718) 22.884 7.336 ( 11.767 0.000 -25.603) 28.177 7.425 ( 17.244 0.000 -7.566) 18.831 8.629 ( -5.653 0.000 -17.558) 18.446 9.148 ( -6.092 0.000 8.380) 10.361 9.576 ( -3.477 0.000 -16.010) 16.384 9.727 ( 3.686 0.000 -18.340) 18.706 9.841 ( -0.717 0.000 1.582) 1.737 10.410 ( -12.514 0.000 21.426) 24.813 10.501 ( -3.423 0.000 -13.078) 13.518 11.263 ( -0.117 0.000 4.268) 4.269 11.500 ( 24.449 0.000 2.804) 24.609 11.722 ( -2.149 0.000 16.936) 17.072 11.896 ( -0.532 0.000 -12.985) 12.996 12.531 ( -4.593 0.000 0.872) 4.675 12.718 ( 5.804 0.000 -1.142) 5.915 12.733 ( -1.596 0.000 1.269) 2.039 12.865 ( -7.641 0.000 8.740) 11.609 13.084 ( 0.004 0.000 7.593) 7.593 13.304 ( -9.820 0.000 2.136) 10.050 13.700 ( 5.292 0.000 3.748) 6.485 13.720 ( 4.073 0.000 -0.262) 4.081 14.082 ( -13.585 0.000 18.144) 22.666 14.143 ( 1.816 0.000 2.119) 2.791 14.240 ( -5.030 0.000 6.131) 7.931 14.494 ( -1.856 0.000 6.279) 6.548 14.700 ( -1.015 0.000 5.995) 6.080 15.056 ( -15.671 0.000 -0.422) 15.677 15.230 ( -10.580 0.000 8.458) 13.545 15.554 ( -5.322 0.000 2.144) 5.737 16.139 ( 19.365 0.000 -0.111) 19.366 16.957 ( 11.657 0.000 -14.333) 18.475 22.713 ( 3.974 0.000 -1.712) 4.327 22.881 ( 1.823 0.000 0.704) 1.954 23.114 ( -6.060 0.000 4.679) 7.656 23.239 ( 1.884 0.000 0.842) 2.064 23.290 ( -5.433 0.000 0.946) 5.515 23.469 ( -0.643 0.000 -0.944) 1.142 23.838 ( 14.674 0.000 -1.968) 14.806 25.252 ( -3.908 0.000 -3.318) 5.126 ======================= Grid point 83 (28/150) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 30.246 0.000 11.664) 32.417 1.559 ( 32.522 0.000 14.800) 35.731 2.681 ( 48.525 0.000 23.327) 53.840 3.875 ( -20.235 0.000 -6.737) 21.327 3.896 ( -15.056 0.000 0.179) 15.057 4.343 ( 10.549 0.000 4.555) 11.490 6.104 ( -5.108 0.000 -2.316) 5.609 6.183 ( 30.188 0.000 -5.145) 30.624 6.694 ( -9.809 0.000 -15.103) 18.009 7.570 ( 11.329 0.000 -24.552) 27.039 7.745 ( 12.281 0.000 -17.661) 21.512 8.425 ( -14.609 0.000 -19.916) 24.699 9.026 ( -4.353 0.000 -0.423) 4.374 9.564 ( 1.735 0.000 -5.331) 5.606 9.784 ( -3.850 0.000 6.865) 7.871 9.819 ( 5.630 0.000 -10.307) 11.745 10.303 ( 0.660 0.000 22.144) 22.154 10.382 ( -8.752 0.000 -4.164) 9.693 11.219 ( -3.162 0.000 -8.541) 9.108 11.666 ( -5.430 0.000 -13.109) 14.189 11.678 ( -1.239 0.000 15.257) 15.307 12.164 ( 21.276 0.000 -3.866) 21.624 12.426 ( -4.272 0.000 3.973) 5.834 12.597 ( -7.143 0.000 4.256) 8.315 12.846 ( 6.789 0.000 -2.028) 7.085 12.852 ( 3.063 0.000 8.162) 8.718 13.070 ( -13.057 0.000 2.263) 13.251 13.142 ( 2.877 0.000 2.264) 3.661 13.785 ( 4.287 0.000 3.160) 5.326 13.791 ( 2.881 0.000 0.053) 2.881 13.973 ( 0.432 0.000 12.085) 12.093 14.121 ( -4.872 0.000 7.132) 8.638 14.160 ( -2.587 0.000 7.178) 7.630 14.487 ( 1.980 0.000 1.134) 2.282 14.709 ( -0.367 0.000 3.463) 3.483 14.734 ( -12.923 0.000 1.902) 13.062 15.050 ( -9.100 0.000 9.962) 13.492 15.374 ( -11.545 0.000 4.266) 12.308 16.498 ( 16.008 0.000 -1.175) 16.051 17.071 ( 1.516 0.000 -9.720) 9.837 22.754 ( 0.897 0.000 0.440) 0.999 22.927 ( 2.689 0.000 0.901) 2.836 22.974 ( -6.838 0.000 1.983) 7.120 23.210 ( -3.426 0.000 3.363) 4.801 23.280 ( 2.220 0.000 1.028) 2.447 23.446 ( -1.545 0.000 -0.374) 1.589 24.154 ( 16.249 0.000 -2.480) 16.437 25.148 ( -6.636 0.000 -3.402) 7.457 ======================= Grid point 84 (29/150) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 33.644 0.000 0.530) 33.648 2.231 ( 34.083 0.000 10.221) 35.582 3.371 ( -28.514 0.000 -5.185) 28.982 3.475 ( -19.878 0.000 5.739) 20.690 3.581 ( 33.590 0.000 14.736) 36.680 4.461 ( -2.181 0.000 5.993) 6.377 6.107 ( 5.012 0.000 -4.049) 6.443 6.481 ( -10.405 0.000 -8.570) 13.480 6.826 ( 31.993 0.000 -12.083) 34.199 7.774 ( 8.859 0.000 -25.067) 26.587 7.829 ( -6.949 0.000 -28.026) 28.875 8.100 ( -14.340 0.000 -17.589) 22.694 9.041 ( 6.833 0.000 0.426) 6.847 9.535 ( -7.402 0.000 4.790) 8.817 9.749 ( 1.044 0.000 9.716) 9.772 9.910 ( -0.221 0.000 7.443) 7.446 10.258 ( 1.093 0.000 -5.759) 5.862 10.351 ( 2.513 0.000 15.705) 15.905 11.172 ( 0.162 0.000 -16.685) 16.686 11.501 ( -10.224 0.000 -17.248) 20.050 11.717 ( 5.429 0.000 10.403) 11.734 12.159 ( -12.622 0.000 0.566) 12.635 12.524 ( -0.047 0.000 1.208) 1.209 12.638 ( 12.292 0.000 -2.041) 12.460 12.813 ( -8.971 0.000 5.499) 10.523 12.896 ( 0.706 0.000 6.770) 6.807 12.997 ( 7.404 0.000 -1.565) 7.567 13.165 ( -0.592 0.000 1.547) 1.657 13.836 ( 1.910 0.000 0.858) 2.094 13.860 ( 1.844 0.000 -0.903) 2.053 14.025 ( -2.184 0.000 9.837) 10.076 14.067 ( 8.020 0.000 12.219) 14.616 14.133 ( 0.487 0.000 6.882) 6.899 14.511 ( -2.907 0.000 -2.606) 3.904 14.564 ( -4.449 0.000 4.456) 6.297 14.652 ( -5.246 0.000 2.783) 5.939 14.900 ( -3.470 0.000 11.804) 12.303 15.135 ( -11.292 0.000 5.648) 12.626 16.771 ( 11.385 0.000 -2.346) 11.624 17.053 ( -2.981 0.000 -6.095) 6.785 22.768 ( 0.790 0.000 1.394) 1.602 22.860 ( -4.431 0.000 1.581) 4.704 22.988 ( 3.449 0.000 1.602) 3.803 23.139 ( -3.750 0.000 3.167) 4.908 23.326 ( 2.324 0.000 0.995) 2.528 23.411 ( -1.884 0.000 0.201) 1.895 24.472 ( 15.290 0.000 -2.832) 15.550 24.983 ( -9.829 0.000 -3.352) 10.384 ======================= Grid point 85 (30/150) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -29.148 0.000 -3.134) 29.316 2.752 ( 29.148 0.000 -3.134) 29.316 2.906 ( -29.113 0.000 6.922) 29.925 2.906 ( 29.113 0.000 6.922) 29.925 4.207 ( -23.006 0.000 10.603) 25.332 4.207 ( 23.006 0.000 10.603) 25.332 6.269 ( -10.151 0.000 -6.061) 11.823 6.269 ( 10.151 0.000 -6.061) 11.823 7.436 ( -27.490 0.000 -18.667) 33.228 7.436 ( 27.490 0.000 -18.667) 33.228 7.926 ( -6.587 0.000 -25.749) 26.579 7.926 ( 6.587 0.000 -25.749) 26.579 9.281 ( -12.968 0.000 5.719) 14.173 9.281 ( 12.968 0.000 5.719) 14.173 9.821 ( -4.609 0.000 11.663) 12.541 9.821 ( 4.609 0.000 11.663) 12.541 10.353 ( -1.508 0.000 3.991) 4.266 10.353 ( 1.508 0.000 3.991) 4.266 11.282 ( -10.039 0.000 -19.374) 21.821 11.282 ( 10.039 0.000 -19.374) 21.821 11.893 ( -11.545 0.000 5.579) 12.823 11.893 ( 11.545 0.000 5.579) 12.823 12.588 ( -3.798 0.000 -1.442) 4.062 12.588 ( 3.798 0.000 -1.442) 4.062 12.864 ( -2.015 0.000 5.820) 6.159 12.864 ( 2.015 0.000 5.820) 6.159 13.121 ( -3.253 0.000 -0.377) 3.274 13.121 ( 3.253 0.000 -0.377) 3.274 13.867 ( -0.052 0.000 0.324) 0.328 13.867 ( 0.052 0.000 0.324) 0.328 14.057 ( -1.321 0.000 10.484) 10.567 14.057 ( 1.321 0.000 10.484) 10.567 14.332 ( -11.355 0.000 4.184) 12.102 14.332 ( 11.355 0.000 4.184) 12.102 14.549 ( -1.455 0.000 3.009) 3.343 14.549 ( 1.455 0.000 3.009) 3.343 14.950 ( -5.373 0.000 7.947) 9.593 14.950 ( 5.373 0.000 7.947) 9.593 16.954 ( -6.931 0.000 -3.870) 7.938 16.954 ( 6.931 0.000 -3.870) 7.938 22.795 ( -1.599 0.000 1.590) 2.255 22.795 ( 1.599 0.000 1.590) 2.255 23.062 ( -2.658 0.000 2.394) 3.577 23.062 ( 2.658 0.000 2.394) 3.577 23.371 ( -2.134 0.000 0.694) 2.244 23.371 ( 2.134 0.000 0.694) 2.244 24.755 ( -12.526 0.000 -3.132) 12.912 24.755 ( 12.526 0.000 -3.132) 12.912 ======================= Grid point 90 (31/150) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 22.952 25.215) 34.096 1.037 ( 0.000 12.030 39.039) 40.851 1.669 ( 0.000 46.228 32.147) 56.307 3.821 ( 0.000 0.196 1.063) 1.081 4.210 ( 0.000 3.612 -4.427) 5.714 4.479 ( 0.000 -1.890 -0.536) 1.965 5.447 ( 0.000 0.333 -0.058) 0.338 6.453 ( 0.000 -0.475 -5.126) 5.148 6.832 ( 0.000 -19.088 -14.115) 23.740 6.992 ( 0.000 -5.288 -21.812) 22.444 7.298 ( 0.000 0.295 -9.138) 9.143 8.625 ( 0.000 -8.123 -13.597) 15.839 9.079 ( 0.000 -4.862 -2.741) 5.582 9.612 ( 0.000 -8.032 -17.596) 19.343 9.780 ( 0.000 -1.638 -10.321) 10.450 9.868 ( 0.000 13.462 -9.237) 16.326 10.449 ( 0.000 -6.217 3.471) 7.120 10.741 ( 0.000 5.026 -2.115) 5.453 10.856 ( 0.000 -11.697 9.748) 15.227 11.491 ( 0.000 13.003 12.054) 17.730 11.735 ( 0.000 -3.045 10.215) 10.659 11.889 ( 0.000 -1.436 -9.295) 9.405 12.600 ( 0.000 -2.504 0.754) 2.615 12.647 ( 0.000 3.872 -0.984) 3.995 12.761 ( 0.000 1.693 -3.848) 4.204 12.889 ( 0.000 -8.167 15.526) 17.543 13.068 ( 0.000 -2.671 8.421) 8.834 13.177 ( 0.000 -2.551 14.192) 14.420 13.587 ( 0.000 -6.402 -0.108) 6.403 13.652 ( 0.000 -5.302 2.079) 5.695 13.987 ( 0.000 -7.031 1.729) 7.241 14.239 ( 0.000 -2.595 7.104) 7.563 14.510 ( 0.000 5.927 10.939) 12.442 14.550 ( 0.000 14.400 2.452) 14.608 14.880 ( 0.000 -0.850 -0.654) 1.073 15.104 ( 0.000 -7.280 3.381) 8.027 15.418 ( 0.000 -1.706 5.205) 5.478 15.693 ( 0.000 5.706 2.632) 6.284 15.846 ( 0.000 0.541 0.611) 0.816 17.060 ( 0.000 18.890 -19.617) 27.233 22.633 ( 0.000 0.756 1.549) 1.723 22.868 ( 0.000 0.498 1.992) 2.053 23.086 ( 0.000 -8.677 11.099) 14.088 23.169 ( 0.000 -1.834 7.915) 8.124 23.304 ( 0.000 -0.063 5.338) 5.338 23.439 ( 0.000 -1.552 -2.326) 2.796 23.629 ( 0.000 1.933 -1.090) 2.219 25.451 ( 0.000 4.851 -13.049) 13.922 ======================= Grid point 91 (32/150) ======================= q-point: ( 0.12 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 14.448 15.092 27.326) 34.398 1.245 ( 18.520 20.460 20.843) 34.584 2.081 ( 36.322 33.937 26.499) 56.332 3.926 ( 6.093 -2.189 -1.036) 6.556 4.160 ( -2.479 4.920 -2.555) 6.072 4.346 ( -11.785 -0.899 0.505) 11.830 5.615 ( 14.153 -4.301 -1.026) 14.828 6.362 ( -4.204 6.670 -2.769) 8.357 6.699 ( -8.229 -15.620 -17.840) 25.099 7.170 ( 11.147 -11.727 -21.087) 26.579 7.480 ( 15.629 1.208 -8.768) 17.962 8.536 ( -8.813 -11.036 -15.140) 20.704 9.075 ( 0.524 -1.298 -4.444) 4.659 9.589 ( -4.478 -4.436 -14.387) 15.708 9.756 ( 1.265 1.100 -18.119) 18.196 9.901 ( 0.917 8.013 1.450) 8.195 10.365 ( -7.859 -3.416 19.305) 21.121 10.525 ( -5.238 2.085 -8.288) 10.024 11.166 ( 11.821 -6.037 -0.747) 13.294 11.550 ( 6.247 0.630 9.913) 11.734 11.737 ( -0.262 2.022 7.801) 8.063 11.859 ( -1.362 -1.994 -8.251) 8.597 12.508 ( -6.122 -1.820 0.983) 6.462 12.707 ( 1.148 -0.536 0.967) 1.594 12.740 ( -1.543 -0.627 8.058) 8.229 12.900 ( -0.793 0.900 4.416) 4.576 13.007 ( 2.598 0.207 1.568) 3.041 13.311 ( 4.961 -1.652 11.182) 12.344 13.501 ( -4.465 -7.807 3.523) 9.659 13.677 ( 1.416 -7.893 3.294) 8.669 13.950 ( -1.987 -5.762 2.910) 6.755 14.181 ( -5.185 3.164 8.007) 10.050 14.516 ( -1.747 3.437 7.738) 8.645 14.573 ( 3.287 17.971 2.687) 18.466 14.734 ( -6.941 2.509 3.659) 8.238 14.976 ( -15.190 -5.189 -0.294) 16.054 15.178 ( -10.574 -2.773 9.615) 14.558 15.703 ( -2.253 7.608 1.511) 8.077 16.130 ( 18.174 -0.667 0.251) 18.188 17.078 ( 1.079 9.049 -15.021) 17.570 22.714 ( 4.192 0.006 -1.506) 4.454 22.881 ( 1.039 -0.112 1.095) 1.514 23.063 ( -3.848 -6.369 5.825) 9.450 23.161 ( 0.539 -2.998 6.232) 6.937 23.293 ( 0.047 1.544 2.772) 3.173 23.480 ( 1.931 1.461 0.918) 2.589 23.756 ( 12.625 -3.572 -0.921) 13.153 25.360 ( -7.514 4.965 -8.730) 12.543 ======================= Grid point 92 (33/150) ======================= q-point: ( 0.25 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 27.589 12.744 9.584) 31.866 1.714 ( 27.560 13.539 14.408) 33.918 2.910 ( 43.014 20.596 20.081) 51.746 3.788 ( -17.247 -4.708 -4.676) 18.480 3.998 ( -19.358 4.942 2.004) 20.079 4.336 ( 11.504 0.787 2.247) 11.748 5.865 ( 8.556 -11.032 -3.018) 14.284 6.467 ( 12.825 9.806 -2.937) 16.409 6.544 ( -3.767 -7.905 -16.207) 18.422 7.379 ( 9.324 -15.058 -21.001) 27.472 7.778 ( 10.698 0.762 -16.004) 19.265 8.335 ( -9.240 -8.722 -16.098) 20.509 9.069 ( -1.655 4.178 -5.131) 6.821 9.520 ( -0.701 -4.877 -8.759) 10.049 9.786 ( -2.335 2.934 -0.747) 3.823 9.886 ( 2.667 2.954 -1.351) 4.203 10.304 ( -0.657 2.423 19.031) 19.196 10.432 ( -3.588 2.732 -4.295) 6.228 11.234 ( -1.264 0.953 -10.556) 10.674 11.624 ( -3.623 -5.481 2.876) 7.172 11.688 ( -2.799 0.322 -4.863) 5.620 11.982 ( 11.864 -12.005 0.183) 16.880 12.377 ( -5.979 -3.071 2.854) 7.302 12.591 ( -6.134 -1.291 6.998) 9.395 12.816 ( 4.778 -0.308 3.590) 5.984 12.937 ( 2.853 3.838 1.987) 5.178 13.024 ( -4.305 -1.328 1.965) 4.914 13.264 ( -4.052 6.183 1.795) 7.608 13.549 ( 6.534 -12.344 7.349) 15.783 13.738 ( 5.201 -8.266 6.505) 11.734 13.947 ( 1.858 -1.090 2.107) 3.013 14.094 ( -2.531 6.956 8.275) 11.103 14.419 ( -7.801 5.746 5.631) 11.206 14.561 ( -9.931 -6.801 3.002) 12.405 14.664 ( 1.000 11.519 3.263) 12.014 14.750 ( -1.940 4.062 1.018) 4.616 15.007 ( -7.852 -1.589 11.265) 13.823 15.569 ( -10.234 12.649 2.196) 16.418 16.471 ( 15.480 -2.314 -0.877) 15.677 17.083 ( -0.823 1.359 -9.401) 9.535 22.756 ( 0.669 0.162 0.247) 0.732 22.889 ( -1.145 -2.566 1.393) 3.136 22.985 ( -1.998 -0.358 2.186) 2.983 23.160 ( -1.023 -2.780 5.235) 6.015 23.315 ( 1.945 2.518 1.561) 3.544 23.490 ( -0.742 4.025 0.059) 4.093 24.071 ( 17.303 -6.135 -1.702) 18.438 25.191 ( -9.277 2.551 -5.344) 11.006 ======================= Grid point 93 (34/150) ======================= q-point: ( 0.38 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 30.573 7.001 1.732) 31.412 2.313 ( 31.512 7.583 10.154) 33.966 3.339 ( -25.333 -2.054 -3.137) 25.609 3.530 ( -26.143 3.611 5.383) 26.935 3.721 ( 34.485 13.017 13.447) 39.237 4.476 ( -0.028 2.560 3.678) 4.482 6.008 ( 7.277 -7.311 -5.055) 11.487 6.352 ( -9.033 -11.481 -9.308) 17.322 6.949 ( 25.245 7.764 -10.626) 28.469 7.504 ( 1.545 -17.002 -21.850) 27.728 7.874 ( 1.942 -2.042 -24.154) 24.318 8.165 ( -9.722 5.793 -16.999) 20.421 9.094 ( 6.035 3.844 0.633) 7.183 9.511 ( -2.402 -3.157 5.206) 6.545 9.692 ( -3.244 -2.784 6.403) 7.699 9.959 ( -4.968 3.474 9.250) 11.059 10.262 ( 6.184 3.653 -0.993) 7.250 10.480 ( 4.235 8.414 3.136) 9.928 11.200 ( -0.505 2.235 -17.426) 17.576 11.499 ( -8.349 -0.809 -15.639) 17.747 11.660 ( 1.393 -5.613 5.649) 8.084 12.005 ( -10.194 -16.920 -3.082) 19.993 12.376 ( 3.599 -8.839 0.840) 9.580 12.542 ( 1.689 -3.812 5.451) 6.863 12.834 ( -5.020 1.113 8.118) 9.609 12.875 ( -3.875 -2.539 9.173) 10.277 13.037 ( 6.451 2.836 -1.543) 7.214 13.226 ( -1.689 3.442 0.141) 3.836 13.683 ( 5.777 -8.431 1.887) 10.393 13.857 ( 5.344 -5.955 6.013) 10.009 13.995 ( 1.262 4.651 4.663) 6.706 14.121 ( 6.271 2.387 5.132) 8.447 14.237 ( -6.863 2.741 6.828) 10.062 14.454 ( -1.036 -5.981 5.437) 8.149 14.589 ( -7.692 1.801 3.107) 8.489 14.705 ( -7.129 6.441 4.964) 10.814 14.952 ( 4.552 8.974 8.094) 12.914 15.336 ( -12.039 14.359 3.050) 18.985 16.740 ( 11.412 -2.816 -2.215) 11.961 17.038 ( -3.742 -1.241 -5.967) 7.152 22.762 ( 0.321 -0.421 1.105) 1.226 22.838 ( -2.870 -1.637 1.943) 3.833 22.995 ( 1.881 0.031 1.789) 2.596 23.126 ( -2.145 -1.013 4.922) 5.464 23.362 ( 2.610 3.161 0.896) 4.196 23.461 ( -1.995 4.461 -0.026) 4.887 24.413 ( 16.493 -4.863 -2.785) 17.419 24.985 ( -11.498 -0.244 -4.022) 12.184 ======================= Grid point 94 (35/150) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.000 0.151 -3.741) 3.744 2.805 ( 0.000 3.526 0.728) 3.600 2.951 ( -0.001 4.018 6.874) 7.963 2.955 ( 0.001 4.889 8.181) 9.530 4.272 ( -0.000 7.070 7.848) 10.563 4.292 ( 0.000 7.428 8.250) 11.101 6.170 ( 0.000 -7.952 -6.145) 10.049 6.171 ( -0.000 -8.622 -7.283) 11.286 7.347 ( -0.000 -9.691 -19.782) 22.028 7.407 ( 0.000 -7.010 -17.004) 18.392 7.964 ( -0.000 5.336 -23.344) 23.946 7.965 ( 0.000 6.552 -20.302) 21.333 9.231 ( -0.000 -1.163 6.588) 6.690 9.417 ( 0.000 6.666 7.982) 10.399 9.705 ( 0.000 -7.526 9.451) 12.082 9.816 ( 0.000 -0.249 10.922) 10.925 10.414 ( 0.000 8.495 -1.470) 8.621 10.508 ( -0.000 10.128 0.855) 10.164 11.279 ( -0.000 0.749 -19.691) 19.705 11.312 ( 0.000 1.336 -19.146) 19.192 11.743 ( -0.000 -13.545 1.241) 13.602 11.806 ( 0.000 -11.869 2.935) 12.226 12.406 ( 0.000 -10.033 -3.145) 10.514 12.571 ( -0.000 -5.314 2.100) 5.714 12.789 ( -0.000 -0.988 11.949) 11.990 12.828 ( 0.000 -3.150 11.394) 11.821 13.159 ( 0.000 3.691 -1.144) 3.865 13.161 ( -0.000 1.509 -0.493) 1.587 13.746 ( -0.000 -5.882 -1.384) 6.042 13.910 ( -0.000 -5.240 4.091) 6.648 14.011 ( 0.000 1.885 5.860) 6.155 14.133 ( 0.000 -0.621 9.760) 9.780 14.315 ( -0.000 3.143 2.584) 4.069 14.421 ( 0.000 3.120 2.314) 3.885 14.485 ( -0.000 -2.162 6.097) 6.469 14.575 ( 0.000 2.900 10.825) 11.206 15.083 ( 0.000 13.928 3.667) 14.403 15.139 ( -0.000 13.251 4.761) 14.080 16.919 ( 0.000 -2.891 -4.090) 5.008 16.937 ( -0.000 -1.863 -3.485) 3.951 22.771 ( 0.000 -1.098 0.986) 1.476 22.802 ( 0.000 -0.338 2.278) 2.303 23.025 ( 0.000 -1.532 1.811) 2.372 23.095 ( 0.000 0.678 4.952) 4.998 23.413 ( -0.000 3.843 0.227) 3.850 23.416 ( 0.000 4.037 0.512) 4.069 24.695 ( 0.000 -3.772 -4.641) 5.981 24.754 ( -0.000 -1.697 -2.156) 2.744 ======================= Grid point 99 (36/150) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 26.232 17.923) 31.770 1.533 ( 0.000 26.341 16.220) 30.934 2.680 ( 0.000 46.415 18.527) 49.976 3.814 ( 0.000 -1.123 1.800) 2.121 4.157 ( 0.000 -9.639 -7.908) 12.468 4.497 ( 0.000 2.819 6.129) 6.746 5.399 ( 0.000 -6.836 2.686) 7.344 6.439 ( 0.000 -2.010 -12.209) 12.374 6.490 ( 0.000 -10.777 -11.607) 15.838 6.938 ( 0.000 3.110 -11.759) 12.163 7.219 ( 0.000 -7.053 -6.214) 9.400 8.305 ( 0.000 -20.176 -10.779) 22.875 9.121 ( 0.000 6.596 -18.133) 19.295 9.367 ( 0.000 -12.799 -13.690) 18.741 9.734 ( 0.000 -5.627 -11.738) 13.017 10.039 ( 0.000 1.197 -18.992) 19.030 10.358 ( 0.000 -1.639 7.392) 7.572 10.760 ( 0.000 3.520 22.474) 22.748 10.846 ( 0.000 5.165 -11.998) 13.062 11.609 ( 0.000 -7.538 -2.348) 7.895 11.702 ( 0.000 7.421 15.860) 17.510 11.862 ( 0.000 -3.866 -5.796) 6.968 12.533 ( 0.000 -3.633 -0.290) 3.644 12.747 ( 0.000 4.096 -3.033) 5.097 12.777 ( 0.000 -1.354 18.412) 18.462 12.807 ( 0.000 3.462 -0.834) 3.561 13.096 ( 0.000 -4.901 11.266) 12.286 13.140 ( 0.000 4.381 0.359) 4.396 13.452 ( 0.000 -5.336 0.952) 5.420 13.496 ( 0.000 -6.657 11.085) 12.931 13.861 ( 0.000 -5.549 1.760) 5.821 14.243 ( 0.000 1.436 4.074) 4.320 14.658 ( 0.000 5.420 7.791) 9.491 14.813 ( 0.000 4.484 -2.771) 5.271 14.906 ( 0.000 9.459 3.576) 10.113 14.938 ( 0.000 -6.071 7.691) 9.799 15.414 ( 0.000 1.070 4.646) 4.768 15.774 ( 0.000 2.536 4.340) 5.027 15.851 ( 0.000 -0.312 0.480) 0.573 17.328 ( 0.000 8.764 -14.949) 17.329 22.655 ( 0.000 1.336 1.459) 1.978 22.870 ( 0.000 -0.222 4.481) 4.487 22.998 ( 0.000 -1.009 7.900) 7.964 23.145 ( 0.000 -0.427 6.276) 6.290 23.338 ( 0.000 2.272 2.973) 3.742 23.395 ( 0.000 -2.593 -2.098) 3.335 23.703 ( 0.000 4.788 -0.151) 4.790 25.459 ( 0.000 -2.651 -10.037) 10.381 ======================= Grid point 100 (37/150) ======================= q-point: ( 0.12 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 13.103 25.369 13.023) 31.383 1.719 ( 15.105 24.073 14.968) 32.120 2.890 ( 20.531 39.813 17.623) 48.137 3.855 ( -0.605 -4.602 -0.671) 4.690 4.148 ( 1.101 -7.013 -3.234) 7.801 4.410 ( -6.872 6.346 4.469) 10.366 5.490 ( 8.047 -8.132 1.571) 11.548 6.298 ( -7.600 -15.396 -14.110) 22.224 6.623 ( 6.866 12.702 -5.709) 15.527 6.914 ( 3.123 -11.649 -15.527) 19.660 7.463 ( 18.150 -1.772 -6.859) 19.483 8.196 ( -8.869 -19.481 -11.782) 24.433 9.135 ( 2.102 4.621 -15.648) 16.451 9.413 ( 0.389 -9.409 -12.433) 15.596 9.732 ( 3.231 -5.078 -16.430) 17.497 10.040 ( -2.656 3.220 -7.035) 8.180 10.314 ( -1.147 -1.069 9.295) 9.427 10.611 ( -6.644 6.957 4.270) 10.525 11.077 ( 12.574 -1.847 -3.760) 13.254 11.477 ( -7.562 -5.706 4.022) 10.292 11.791 ( -1.697 -1.072 -4.890) 5.286 11.838 ( 2.633 0.897 5.732) 6.371 12.462 ( -6.497 -2.546 0.215) 6.981 12.672 ( -4.589 -1.295 9.625) 10.741 12.781 ( 0.708 4.321 1.376) 4.589 12.908 ( 4.977 0.521 3.647) 6.192 13.051 ( -0.406 0.189 3.252) 3.283 13.226 ( 4.982 -3.741 8.436) 10.487 13.425 ( -3.327 -1.702 1.786) 4.142 13.507 ( 2.249 -5.761 9.742) 11.540 13.863 ( 1.302 -3.867 1.583) 4.377 14.232 ( -1.329 1.752 4.629) 5.125 14.569 ( -7.697 1.084 4.418) 8.941 14.734 ( -6.258 -0.912 5.864) 8.624 14.857 ( -6.370 -0.076 2.373) 6.798 14.997 ( 1.040 13.825 2.840) 14.152 15.165 ( -10.614 3.005 7.491) 13.334 15.797 ( 1.490 2.206 2.709) 3.798 16.112 ( 16.489 -1.175 0.223) 16.533 17.255 ( -6.109 7.419 -12.427) 15.710 22.709 ( 3.716 -0.436 -0.295) 3.753 22.873 ( -0.214 -0.429 3.393) 3.427 22.957 ( -2.544 -2.675 6.726) 7.673 23.141 ( -0.342 -0.264 6.454) 6.469 23.338 ( 1.055 2.558 1.831) 3.318 23.513 ( 8.305 1.022 0.444) 8.379 23.735 ( 4.484 1.465 -0.883) 4.799 25.388 ( -6.716 -1.594 -8.826) 11.205 ======================= Grid point 101 (38/150) ======================= q-point: ( 0.25 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 22.142 20.982 6.650) 31.220 2.067 ( 19.745 19.615 12.509) 30.514 3.431 ( 29.804 26.165 13.551) 41.911 3.689 ( -13.020 -3.691 -1.946) 13.672 4.020 ( -16.670 -3.033 7.114) 18.376 4.449 ( 10.113 9.495 -2.356) 14.071 5.680 ( 10.330 -7.233 -1.581) 12.709 6.162 ( -5.992 -18.640 -12.300) 23.122 6.750 ( 6.377 2.781 -7.628) 10.324 7.098 ( 12.411 -5.319 -14.287) 19.658 7.736 ( 4.749 -4.289 -14.239) 15.611 8.126 ( 6.949 -9.317 -9.597) 15.073 9.143 ( -2.550 0.821 -6.536) 7.064 9.403 ( 1.026 -4.417 -11.859) 12.697 9.881 ( -0.145 -1.553 -1.281) 2.018 9.897 ( 1.178 4.661 -5.847) 7.570 10.396 ( 4.917 2.939 10.032) 11.552 10.479 ( -4.448 3.644 -2.192) 6.154 11.227 ( 1.102 -2.131 -13.371) 13.585 11.391 ( -0.426 -12.697 -0.837) 12.732 11.671 ( -7.650 -4.073 -8.400) 12.069 11.872 ( -3.040 1.039 3.917) 5.065 12.318 ( -5.972 -2.485 1.480) 6.636 12.564 ( -5.556 -0.652 6.526) 8.596 12.810 ( 1.276 0.327 10.274) 10.358 12.980 ( 3.384 1.005 2.006) 4.060 13.037 ( -3.282 1.218 2.071) 4.068 13.299 ( -0.926 -3.229 2.022) 3.921 13.380 ( 4.246 -2.323 9.163) 10.363 13.601 ( 6.186 -5.389 6.707) 10.597 13.944 ( 6.624 -0.718 0.664) 6.696 14.192 ( -2.422 2.316 6.495) 7.309 14.377 ( -11.498 -6.707 4.772) 14.141 14.553 ( -10.666 5.268 2.435) 12.143 14.679 ( -5.303 -1.419 8.786) 10.360 14.955 ( -5.502 1.587 6.803) 8.893 15.158 ( 5.258 19.352 3.074) 20.287 15.770 ( -4.907 6.216 1.263) 8.019 16.417 ( 13.940 -2.582 -0.718) 14.196 17.130 ( -5.959 2.948 -8.535) 10.819 22.753 ( 0.494 -0.879 -0.171) 1.023 22.846 ( -1.815 -0.945 2.907) 3.555 22.946 ( 1.004 -2.685 4.190) 5.077 23.127 ( -1.089 -0.989 6.821) 6.977 23.378 ( 2.763 3.461 1.266) 4.606 23.599 ( 0.346 6.114 0.413) 6.138 23.956 ( 16.399 -4.570 -1.822) 17.121 25.210 ( -10.763 -0.818 -6.802) 12.758 ======================= Grid point 102 (39/150) ======================= q-point: ( 0.38 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 22.534 14.433 4.539) 27.143 2.527 ( 26.001 12.721 8.608) 30.199 3.308 ( -20.513 -0.279 0.689) 20.527 3.598 ( -24.212 2.800 6.904) 25.333 4.065 ( 27.734 18.493 8.548) 34.413 4.600 ( 2.449 8.964 -1.071) 9.354 5.867 ( 7.418 -5.690 -5.828) 11.017 6.059 ( -4.370 -15.796 -8.533) 18.477 6.894 ( 8.226 -15.754 -11.864) 21.368 7.220 ( -2.398 -9.904 -15.020) 18.150 7.874 ( 13.777 6.110 -17.395) 23.016 8.286 ( 2.456 4.876 -13.827) 14.866 9.127 ( 2.989 -1.451 5.715) 6.610 9.415 ( -0.506 -4.575 2.750) 5.362 9.711 ( -5.785 4.230 1.568) 7.337 10.038 ( -6.454 3.599 4.442) 8.622 10.373 ( 11.246 4.812 -3.453) 12.711 10.640 ( 10.388 6.011 -4.279) 12.742 11.200 ( -2.479 -5.256 -15.145) 16.222 11.381 ( -0.468 -11.900 -9.631) 15.316 11.509 ( -9.068 -10.203 -7.708) 15.676 11.666 ( -15.513 -4.364 -6.287) 17.298 12.284 ( 1.572 -1.812 4.036) 4.695 12.476 ( -3.004 -1.940 4.670) 5.882 12.805 ( -0.998 -0.212 15.887) 15.920 12.916 ( -6.368 3.109 7.712) 10.474 13.086 ( 6.082 1.901 0.008) 6.372 13.263 ( -1.966 0.464 0.967) 2.239 13.522 ( 7.573 -6.895 6.277) 12.012 13.704 ( 2.835 -8.665 3.491) 9.762 14.048 ( 0.275 -1.278 4.703) 4.881 14.123 ( -5.111 -5.140 5.920) 9.359 14.248 ( 4.469 3.499 5.503) 7.905 14.443 ( -1.160 2.710 3.308) 4.431 14.571 ( -5.920 -0.429 8.202) 10.125 14.817 ( -7.640 3.738 8.500) 12.025 15.280 ( 6.719 19.147 1.897) 20.381 15.617 ( -9.359 11.778 1.086) 15.083 16.669 ( 11.224 -3.653 -2.121) 11.992 17.012 ( -6.138 -1.074 -5.595) 8.375 22.752 ( 0.032 -0.654 0.934) 1.141 22.813 ( -1.619 -0.449 2.625) 3.116 22.974 ( 1.530 -1.960 3.184) 4.040 23.101 ( -1.399 -1.557 6.836) 7.149 23.442 ( 3.509 4.198 0.771) 5.526 23.573 ( -2.387 5.810 0.123) 6.282 24.310 ( 17.998 -4.396 -3.108) 18.786 24.965 ( -13.673 -1.613 -5.141) 14.696 ======================= Grid point 103 (40/150) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.000 5.506 -0.238) 5.511 2.901 ( 0.000 6.168 6.019) 8.619 3.075 ( -0.000 7.837 6.219) 10.005 3.098 ( 0.000 8.593 7.856) 11.643 4.486 ( -0.000 12.681 2.784) 12.983 4.498 ( 0.000 11.572 2.945) 11.940 5.964 ( 0.000 -10.398 -8.542) 13.456 5.989 ( -0.000 -8.943 -5.666) 10.587 7.036 ( 0.000 -18.500 -16.376) 24.707 7.124 ( -0.000 -18.326 -13.733) 22.901 8.162 ( -0.000 12.175 -19.084) 22.637 8.181 ( 0.000 12.416 -16.281) 20.475 9.191 ( -0.000 -2.777 10.063) 10.439 9.402 ( 0.000 -7.249 18.167) 19.560 9.698 ( 0.000 6.558 -2.817) 7.138 9.851 ( -0.000 3.150 5.766) 6.570 10.639 ( 0.000 11.442 -8.599) 14.313 10.731 ( -0.000 10.676 -6.255) 12.374 11.246 ( -0.000 -14.647 -9.511) 17.464 11.246 ( 0.000 -12.836 -6.835) 14.543 11.404 ( -0.000 -8.192 -14.724) 16.849 11.479 ( 0.000 -9.448 -12.027) 15.295 12.309 ( -0.000 -0.290 2.963) 2.977 12.446 ( 0.000 -4.785 4.685) 6.697 12.805 ( 0.000 2.076 13.394) 13.554 12.833 ( -0.000 2.585 14.131) 14.366 13.180 ( 0.000 0.436 0.544) 0.698 13.217 ( -0.000 1.806 0.226) 1.820 13.628 ( -0.000 -5.657 0.865) 5.723 13.703 ( 0.000 -12.462 4.989) 13.423 14.049 ( -0.000 0.304 8.396) 8.401 14.052 ( 0.000 -6.127 8.095) 10.152 14.385 ( -0.000 0.707 4.022) 4.084 14.405 ( 0.000 -2.106 2.773) 3.482 14.511 ( 0.000 5.791 3.914) 6.990 14.706 ( 0.000 6.625 12.261) 13.936 15.426 ( -0.000 17.359 1.435) 17.418 15.438 ( 0.000 14.650 1.428) 14.719 16.846 ( 0.000 -3.756 -4.431) 5.809 16.888 ( -0.000 -2.593 -2.834) 3.841 22.757 ( 0.000 -0.175 1.248) 1.260 22.790 ( 0.000 -0.529 2.473) 2.529 22.993 ( 0.000 -1.617 3.074) 3.473 23.083 ( 0.000 -1.765 6.895) 7.117 23.508 ( -0.000 4.757 0.134) 4.759 23.519 ( 0.000 5.277 0.535) 5.304 24.621 ( 0.000 -2.889 -5.826) 6.503 24.698 ( -0.000 -3.254 -2.377) 4.029 ======================= Grid point 108 (41/150) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 0.000 28.456 7.498) 29.428 2.041 ( 0.000 21.687 11.885) 24.731 3.466 ( 0.000 25.604 10.490) 27.669 3.768 ( 0.000 -3.261 2.796) 4.296 3.879 ( 0.000 -14.522 -6.212) 15.795 4.544 ( 0.000 2.648 9.715) 10.069 5.154 ( 0.000 -14.573 5.281) 15.501 6.355 ( 0.000 -4.854 -14.863) 15.636 6.448 ( 0.000 5.449 -10.232) 11.593 7.044 ( 0.000 -8.898 -4.728) 10.076 7.148 ( 0.000 14.519 -4.963) 15.344 7.877 ( 0.000 -19.775 -10.839) 22.551 9.156 ( 0.000 -6.356 -12.856) 14.341 9.280 ( 0.000 7.848 -22.822) 24.134 9.537 ( 0.000 -12.012 -5.444) 13.188 9.968 ( 0.000 -5.748 -27.390) 27.987 10.375 ( 0.000 2.575 3.843) 4.626 10.920 ( 0.000 9.015 29.112) 30.476 10.958 ( 0.000 5.459 -16.674) 17.545 11.435 ( 0.000 -10.109 -3.780) 10.793 11.687 ( 0.000 -11.218 -13.486) 17.542 11.810 ( 0.000 3.362 19.049) 19.344 12.465 ( 0.000 -2.646 -2.072) 3.361 12.766 ( 0.000 -0.979 -0.859) 1.302 12.796 ( 0.000 2.212 15.595) 15.751 12.868 ( 0.000 -1.614 2.623) 3.079 13.057 ( 0.000 4.452 4.920) 6.636 13.218 ( 0.000 3.664 3.564) 5.112 13.382 ( 0.000 -1.970 0.689) 2.087 13.443 ( 0.000 1.403 11.633) 11.717 13.746 ( 0.000 -5.601 1.902) 5.915 14.228 ( 0.000 -4.391 4.926) 6.599 14.624 ( 0.000 -4.757 5.213) 7.057 14.814 ( 0.000 -0.860 -2.320) 2.474 14.982 ( 0.000 7.273 11.717) 13.790 15.180 ( 0.000 13.019 2.395) 13.238 15.449 ( 0.000 1.947 5.633) 5.960 15.807 ( 0.000 0.788 3.850) 3.930 15.824 ( 0.000 -2.421 0.384) 2.451 17.460 ( 0.000 4.379 -11.033) 11.871 22.685 ( 0.000 1.424 1.338) 1.954 22.873 ( 0.000 0.620 4.809) 4.849 22.979 ( 0.000 -1.475 5.073) 5.283 23.159 ( 0.000 1.590 5.584) 5.806 23.339 ( 0.000 -2.566 -1.815) 3.144 23.382 ( 0.000 1.761 1.945) 2.624 23.810 ( 0.000 5.117 1.316) 5.284 25.382 ( 0.000 -4.095 -8.288) 9.245 ======================= Grid point 109 (42/150) ======================= q-point: ( 0.12 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 9.768 26.334 6.394) 28.806 2.195 ( 12.752 21.100 11.442) 27.180 3.564 ( 8.841 17.779 7.239) 21.135 3.753 ( -1.283 -1.807 0.817) 2.362 3.950 ( 4.952 -9.473 1.496) 10.794 4.530 ( 0.614 5.662 5.914) 8.210 5.252 ( 9.177 -14.340 4.695) 17.661 6.098 ( -13.021 -2.906 -12.943) 18.588 6.667 ( 0.670 -8.479 -12.107) 14.796 6.929 ( 8.185 10.482 -4.150) 13.932 7.483 ( 19.772 5.422 -6.682) 21.564 7.796 ( -5.129 -18.290 -10.990) 21.945 9.141 ( -1.107 -3.963 -10.224) 11.021 9.331 ( 1.544 1.199 -18.334) 18.438 9.563 ( 5.832 -9.053 -10.353) 14.938 10.035 ( 4.688 -2.801 -19.750) 20.491 10.316 ( -4.360 1.031 2.001) 4.906 10.773 ( -8.277 7.003 9.834) 14.637 11.107 ( 7.358 4.379 -2.347) 8.878 11.341 ( -7.436 -7.835 -2.222) 11.028 11.641 ( -4.144 -10.249 -13.298) 17.293 11.883 ( 5.113 1.803 14.758) 15.722 12.411 ( -5.325 -2.187 -1.091) 5.859 12.672 ( -5.120 0.927 8.097) 9.625 12.867 ( 3.252 0.395 4.057) 5.214 12.919 ( 1.428 0.992 4.357) 4.691 13.023 ( 0.248 1.683 4.503) 4.814 13.221 ( 0.584 1.974 4.014) 4.511 13.385 ( -0.689 -1.196 5.210) 5.389 13.468 ( 1.790 0.320 7.138) 7.366 13.777 ( 3.778 -4.335 2.215) 6.162 14.217 ( -1.202 -4.290 4.700) 6.476 14.531 ( -8.652 -2.727 2.490) 9.407 14.737 ( -10.280 1.512 9.000) 13.747 14.860 ( -4.284 0.920 4.443) 6.240 15.166 ( -11.552 3.975 5.263) 13.302 15.384 ( 7.137 14.004 3.497) 16.102 15.817 ( 1.584 -0.016 3.347) 3.703 16.078 ( 16.136 -2.078 -0.288) 16.272 17.375 ( -7.769 4.196 -9.876) 13.248 22.700 ( 1.161 -0.383 1.127) 1.663 22.877 ( 0.111 0.712 4.174) 4.236 22.927 ( -3.427 -0.557 4.817) 5.938 23.128 ( -1.658 -1.169 6.087) 6.416 23.391 ( 2.177 2.400 1.252) 3.474 23.516 ( 13.266 -0.363 -1.106) 13.317 23.801 ( -0.649 4.170 1.116) 4.366 25.328 ( -5.371 -3.483 -7.956) 10.212 ======================= Grid point 110 (43/150) ======================= q-point: ( 0.25 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 16.821 22.018 4.605) 28.088 2.482 ( 15.075 19.309 10.687) 26.727 3.570 ( -8.270 -4.070 -1.889) 9.409 3.878 ( -0.538 -0.845 7.258) 7.326 4.002 ( 12.505 14.058 9.682) 21.160 4.642 ( 9.188 7.873 -3.342) 12.553 5.491 ( 13.815 -13.352 3.251) 19.486 5.887 ( -7.629 -4.149 -11.923) 14.751 6.546 ( -6.424 -14.372 -9.016) 18.141 7.158 ( 1.543 1.461 -10.235) 10.453 7.695 ( 12.446 1.806 -11.529) 17.061 8.010 ( 21.363 -0.659 -7.631) 22.695 9.091 ( -3.277 -3.595 -1.354) 5.050 9.358 ( 1.777 -1.736 -13.844) 14.065 9.746 ( 8.902 -8.028 -3.783) 12.570 10.046 ( -2.352 7.503 -10.092) 12.794 10.329 ( 5.999 -7.986 -8.833) 13.334 10.596 ( -8.494 4.779 11.630) 15.174 11.170 ( -4.028 -3.859 -14.409) 15.451 11.222 ( -1.662 -1.840 -4.105) 4.796 11.540 ( -5.701 -6.814 -11.910) 14.859 11.932 ( -2.752 3.105 6.733) 7.909 12.276 ( -6.055 -1.618 -0.251) 6.272 12.569 ( -5.291 0.777 7.158) 8.935 12.862 ( -1.594 4.575 11.090) 12.102 12.973 ( 3.669 -2.356 0.309) 4.371 13.058 ( 1.088 2.217 5.521) 6.049 13.259 ( 2.376 -0.115 1.801) 2.984 13.357 ( -0.882 -1.195 7.658) 7.801 13.496 ( 1.390 -4.446 5.747) 7.398 13.887 ( 5.352 -5.189 4.350) 8.631 14.169 ( -4.353 -2.657 4.191) 6.601 14.323 ( -8.403 0.123 6.644) 10.713 14.546 ( -7.437 -3.425 7.246) 10.934 14.752 ( -6.195 5.759 5.755) 10.231 14.986 ( -6.157 2.005 6.972) 9.515 15.533 ( 6.466 15.328 1.849) 16.738 15.841 ( 0.114 1.343 1.427) 1.962 16.371 ( 12.992 -1.749 -1.245) 13.169 17.189 ( -10.009 2.409 -7.487) 12.730 22.719 ( 0.728 -1.823 1.107) 2.254 22.854 ( -1.762 0.814 2.890) 3.481 22.904 ( 0.674 -0.601 5.681) 5.753 23.095 ( -1.813 -2.305 6.748) 7.358 23.447 ( 3.330 2.878 1.089) 4.535 23.723 ( 0.684 5.313 0.144) 5.359 23.888 ( 15.149 -1.963 -1.678) 15.367 25.171 ( -10.163 -2.382 -7.108) 12.629 ======================= Grid point 111 (44/150) ======================= q-point: ( 0.38 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 15.258 16.846 5.493) 23.383 2.818 ( 19.216 14.835 7.112) 25.297 3.352 ( -12.450 4.062 2.975) 13.430 3.642 ( -16.734 1.690 8.163) 18.695 4.406 ( 20.260 12.597 3.285) 24.082 4.782 ( 2.853 6.617 -5.604) 9.129 5.723 ( 6.418 -13.952 -0.884) 15.383 5.811 ( 0.256 -0.664 -8.359) 8.389 6.500 ( 3.469 -19.059 -10.111) 21.852 6.986 ( -13.512 -11.643 -12.205) 21.612 8.108 ( 22.243 13.153 -14.488) 29.625 8.366 ( 11.787 3.811 -10.783) 16.424 9.070 ( 2.290 -2.439 9.885) 10.435 9.353 ( -3.274 -2.022 -1.935) 4.307 9.775 ( -2.197 -0.390 1.557) 2.720 10.075 ( -4.905 -0.835 -2.956) 5.787 10.392 ( 9.479 -2.680 -4.256) 10.731 10.642 ( 11.969 -7.176 -2.563) 14.189 11.052 ( -7.353 -3.510 -14.228) 16.395 11.163 ( -5.283 -2.871 -10.639) 12.221 11.424 ( -4.914 -0.983 -15.400) 16.195 11.708 ( -17.041 4.281 -9.236) 19.850 12.258 ( 3.249 -1.058 3.735) 5.062 12.464 ( -5.142 0.239 4.168) 6.623 12.849 ( 0.314 3.978 14.953) 15.476 12.968 ( -3.654 1.952 7.635) 8.686 13.119 ( 4.737 1.417 2.665) 5.617 13.266 ( -1.150 0.097 1.285) 1.727 13.391 ( 3.438 -5.915 8.654) 11.032 13.522 ( 0.389 -8.230 3.357) 8.897 13.914 ( -1.218 -8.573 11.462) 14.365 14.064 ( -4.617 -1.405 8.766) 10.006 14.308 ( 4.355 0.660 3.132) 5.405 14.434 ( -3.851 -1.708 2.797) 5.057 14.660 ( -2.422 6.905 6.104) 9.529 14.875 ( -5.327 1.789 8.291) 10.015 15.640 ( 4.477 14.390 1.024) 15.106 15.808 ( -3.216 6.662 0.640) 7.426 16.605 ( 10.615 -2.266 -2.419) 11.120 16.996 ( -9.226 -0.624 -5.160) 10.590 22.736 ( 1.216 -0.696 1.722) 2.220 22.819 ( -1.961 0.713 2.967) 3.628 22.932 ( 1.854 -1.563 5.052) 5.604 23.056 ( -2.026 -2.796 7.064) 7.863 23.521 ( 3.992 3.153 0.860) 5.160 23.680 ( -3.322 4.132 0.572) 5.333 24.247 ( 18.693 -1.662 -3.644) 19.117 24.927 ( -14.138 -1.759 -5.967) 15.446 ======================= Grid point 112 (45/150) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -0.000 10.910 1.703) 11.042 3.071 ( -0.000 9.521 7.126) 11.893 3.259 ( -0.000 9.590 6.780) 11.744 3.296 ( 0.000 10.084 8.625) 13.269 4.711 ( -0.000 7.308 -2.717) 7.797 4.723 ( 0.000 7.957 -2.365) 8.301 5.777 ( -0.000 -6.730 -6.178) 9.135 5.816 ( 0.000 -7.311 -3.469) 8.093 6.657 ( 0.000 -16.424 -12.838) 20.846 6.737 ( -0.000 -17.181 -10.281) 20.022 8.416 ( -0.000 11.678 -16.904) 20.546 8.427 ( 0.000 10.817 -15.051) 18.535 9.142 ( -0.000 -1.329 10.926) 11.006 9.271 ( 0.000 -4.447 14.865) 15.516 9.814 ( 0.000 2.442 -1.441) 2.836 9.885 ( -0.000 -1.671 1.578) 2.298 10.689 ( 0.000 -13.125 -8.999) 15.914 10.763 ( -0.000 -15.593 -7.090) 17.129 10.990 ( 0.000 3.339 -6.344) 7.169 10.996 ( -0.000 5.976 -4.555) 7.513 11.419 ( -0.000 2.872 -20.629) 20.828 11.436 ( 0.000 0.278 -22.502) 22.503 12.328 ( -0.000 1.170 2.990) 3.211 12.382 ( 0.000 -1.877 3.884) 4.314 12.868 ( 0.000 3.913 13.499) 14.055 12.907 ( -0.000 4.187 13.480) 14.116 13.186 ( 0.000 0.213 2.395) 2.404 13.240 ( 0.000 0.512 1.514) 1.598 13.447 ( -0.000 -11.255 6.246) 12.872 13.506 ( 0.000 -6.231 4.979) 7.976 13.916 ( -0.000 -6.170 10.140) 11.870 14.000 ( 0.000 -4.707 14.714) 15.449 14.376 ( 0.000 -0.604 1.250) 1.389 14.386 ( -0.000 0.047 1.178) 1.179 14.651 ( 0.000 6.546 3.971) 7.656 14.803 ( -0.000 2.705 10.265) 10.616 15.711 ( -0.000 11.224 -0.199) 11.226 15.743 ( 0.000 12.293 1.562) 12.392 16.779 ( 0.000 -2.344 -4.786) 5.330 16.836 ( -0.000 -2.406 -2.411) 3.406 22.763 ( -0.000 0.627 2.078) 2.170 22.785 ( 0.000 0.020 2.856) 2.856 22.958 ( -0.000 -1.610 4.538) 4.815 23.028 ( 0.000 -3.253 7.493) 8.168 23.594 ( -0.000 3.428 0.359) 3.446 23.613 ( 0.000 3.501 0.992) 3.639 24.584 ( 0.000 -0.728 -6.114) 6.157 24.636 ( -0.000 -2.453 -3.605) 4.360 ======================= Grid point 117 (46/150) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 9.263 10.003) 13.633 2.554 ( 0.000 19.301 6.151) 20.258 3.435 ( 0.000 -14.493 -10.093) 17.661 3.699 ( 0.000 -2.487 3.605) 4.380 3.873 ( 0.000 4.780 9.547) 10.677 4.637 ( 0.000 4.548 10.267) 11.229 4.911 ( 0.000 -6.909 6.420) 9.432 6.282 ( 0.000 -1.854 -12.292) 12.431 6.611 ( 0.000 7.214 -8.849) 11.417 6.891 ( 0.000 -5.001 -4.708) 6.869 7.400 ( 0.000 7.234 -3.236) 7.924 7.548 ( 0.000 -10.023 -10.984) 14.870 9.130 ( 0.000 3.478 -8.383) 9.076 9.297 ( 0.000 -9.994 -8.870) 13.362 9.414 ( 0.000 4.189 -23.077) 23.455 9.861 ( 0.000 -3.532 -31.058) 31.258 10.443 ( 0.000 3.135 5.318) 6.173 11.028 ( 0.000 -0.519 -12.710) 12.720 11.061 ( 0.000 3.801 29.896) 30.137 11.222 ( 0.000 -6.105 -9.479) 11.275 11.514 ( 0.000 -4.471 -17.638) 18.195 11.853 ( 0.000 0.942 21.073) 21.095 12.428 ( 0.000 -0.920 -3.106) 3.239 12.740 ( 0.000 -1.036 3.347) 3.504 12.806 ( 0.000 -2.124 1.962) 2.891 12.834 ( 0.000 1.038 13.235) 13.276 13.208 ( 0.000 7.525 1.426) 7.659 13.283 ( 0.000 1.890 3.057) 3.595 13.334 ( 0.000 -3.438 -0.028) 3.439 13.520 ( 0.000 4.347 10.505) 11.369 13.647 ( 0.000 -3.122 2.057) 3.739 14.081 ( 0.000 -6.799 9.693) 11.840 14.575 ( 0.000 -0.549 4.263) 4.298 14.800 ( 0.000 -0.344 -2.171) 2.198 15.107 ( 0.000 3.580 12.244) 12.756 15.397 ( 0.000 6.803 1.859) 7.053 15.480 ( 0.000 0.832 6.607) 6.659 15.760 ( 0.000 -2.925 0.319) 2.943 15.814 ( 0.000 0.093 3.047) 3.048 17.518 ( 0.000 1.325 -9.448) 9.540 22.708 ( 0.000 0.654 1.244) 1.405 22.896 ( 0.000 1.514 4.291) 4.550 22.940 ( 0.000 -1.998 4.670) 5.079 23.190 ( 0.000 0.975 5.168) 5.259 23.298 ( 0.000 -1.115 -1.614) 1.961 23.407 ( 0.000 0.631 1.568) 1.690 23.892 ( 0.000 2.297 2.140) 3.140 25.315 ( 0.000 -1.935 -7.718) 7.956 ======================= Grid point 118 (47/150) ======================= q-point: ( 0.12 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 10.984 9.028 9.114) 16.888 2.631 ( 7.667 18.246 6.680) 20.889 3.427 ( -0.371 -13.197 -8.936) 15.942 3.788 ( 6.234 -2.056 5.322) 8.451 3.963 ( 9.007 4.758 8.205) 13.080 4.657 ( 2.741 4.838 6.331) 8.426 4.996 ( 8.336 -7.617 6.208) 12.886 6.110 ( -11.224 1.789 -11.211) 15.965 6.523 ( -10.685 -4.406 -6.884) 13.452 7.105 ( 19.005 7.315 -5.815) 21.178 7.455 ( -5.957 -12.017 -11.364) 17.580 7.646 ( 19.767 5.426 -5.805) 21.305 9.109 ( -2.149 1.506 -4.876) 5.537 9.267 ( -1.151 -6.367 -13.618) 15.077 9.497 ( 7.087 1.702 -16.970) 18.469 9.957 ( 8.447 -3.458 -28.174) 29.615 10.352 ( -8.406 1.901 4.428) 9.689 10.855 ( -10.065 0.711 11.318) 15.163 11.151 ( -1.404 -3.750 -12.948) 13.554 11.244 ( 5.033 3.078 3.862) 7.052 11.467 ( -3.872 -5.460 -15.103) 16.520 11.907 ( 4.451 0.527 17.842) 18.396 12.378 ( -4.781 -0.884 -1.455) 5.075 12.695 ( -5.290 0.944 7.971) 9.613 12.809 ( 4.860 -2.682 2.274) 5.998 12.936 ( 4.658 0.241 6.247) 7.797 13.137 ( -3.766 5.762 1.685) 7.087 13.265 ( -1.363 1.696 2.801) 3.547 13.348 ( -0.909 -2.962 1.865) 3.616 13.515 ( -0.878 3.900 8.440) 9.339 13.692 ( 3.919 -3.625 4.213) 6.801 14.090 ( 1.231 -5.253 8.124) 9.752 14.509 ( -5.945 -0.057 2.255) 6.358 14.763 ( -11.851 0.696 6.332) 13.455 14.883 ( -7.403 0.851 7.671) 10.694 15.225 ( -11.184 1.599 5.111) 12.400 15.618 ( 8.699 7.478 3.341) 11.948 15.800 ( 1.628 -1.551 3.658) 4.294 16.036 ( 16.850 -1.506 -0.922) 16.942 17.431 ( -8.182 1.281 -8.666) 11.987 22.695 ( -0.859 -0.083 1.514) 1.743 22.885 ( -1.568 -0.026 3.514) 3.848 22.934 ( 0.069 0.823 5.248) 5.312 23.099 ( -4.058 -1.245 5.275) 6.770 23.428 ( 2.349 0.999 1.267) 2.849 23.510 ( 14.909 -0.161 -1.488) 14.984 23.873 ( -1.828 2.087 2.039) 3.443 25.269 ( -4.577 -1.708 -7.588) 9.025 ======================= Grid point 119 (48/150) ======================= q-point: ( 0.25 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 12.727 9.096 6.553) 16.961 2.850 ( 13.366 15.444 8.399) 22.085 3.418 ( -1.022 -9.820 -6.104) 11.608 3.840 ( -2.270 0.574 10.449) 10.709 4.220 ( 15.906 4.223 4.236) 16.993 4.756 ( 5.982 2.626 -2.928) 7.159 5.231 ( 14.397 -7.750 4.419) 16.937 5.943 ( -4.374 5.818 -9.467) 11.942 6.280 ( -11.985 -9.923 -5.100) 16.374 7.129 ( -13.851 -1.776 -11.947) 18.377 7.718 ( 28.557 -0.224 -7.027) 29.409 8.093 ( 22.694 4.979 -9.858) 25.239 9.064 ( -1.503 1.014 1.070) 2.105 9.275 ( 1.327 -5.143 -12.698) 13.764 9.663 ( 8.554 0.565 -5.881) 10.396 10.093 ( -4.459 -7.339 -8.525) 12.100 10.205 ( 3.606 2.291 -13.731) 14.380 10.641 ( -10.773 0.225 13.313) 17.127 11.086 ( -3.446 -2.233 -18.227) 18.684 11.287 ( -2.857 4.882 -10.583) 12.000 11.419 ( 0.039 -4.821 -9.104) 10.302 11.976 ( 0.023 1.091 10.164) 10.222 12.252 ( -6.294 -0.683 -1.066) 6.420 12.583 ( -5.657 0.424 8.630) 10.327 12.925 ( 5.666 -1.340 -0.102) 5.823 12.953 ( -1.756 2.659 6.782) 7.494 13.132 ( 1.602 4.590 4.812) 6.841 13.256 ( 0.965 -1.906 3.243) 3.884 13.299 ( -2.723 -2.987 3.325) 5.234 13.469 ( -3.780 1.718 6.011) 7.306 13.754 ( 1.420 -5.780 10.893) 12.413 14.148 ( 4.204 0.209 3.612) 5.547 14.314 ( -13.208 -0.845 10.013) 16.596 14.495 ( -7.191 -1.167 5.466) 9.107 14.838 ( -2.207 2.181 6.032) 6.783 15.026 ( -8.475 1.277 5.968) 10.444 15.763 ( 5.693 6.620 2.086) 8.977 15.844 ( 2.699 -0.893 1.709) 3.317 16.347 ( 13.541 -0.599 -1.902) 13.687 17.222 ( -11.888 0.769 -6.857) 13.745 22.692 ( 0.794 -0.707 2.036) 2.297 22.851 ( -1.420 -0.465 3.293) 3.616 22.936 ( -0.138 2.516 5.854) 6.373 23.037 ( -2.509 -2.815 6.231) 7.283 23.488 ( 3.555 1.038 1.009) 3.839 23.795 ( 2.064 1.479 -0.790) 2.659 23.873 ( 12.969 0.267 -0.583) 12.985 25.131 ( -9.285 -1.197 -7.142) 11.775 ======================= Grid point 120 (49/150) ======================= q-point: ( 0.38 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 11.528 7.194 4.897) 14.444 3.127 ( 13.411 13.597 7.319) 20.453 3.372 ( -3.191 -4.321 0.024) 5.372 3.708 ( -10.194 4.238 12.063) 16.352 4.545 ( 15.032 1.708 -1.624) 15.216 4.832 ( 0.799 -0.704 -7.753) 7.825 5.506 ( 11.617 -5.413 0.614) 12.830 5.889 ( -6.052 6.779 -3.892) 9.886 6.165 ( 6.001 -12.373 -7.943) 15.881 6.807 ( -17.436 -4.724 -11.526) 21.429 8.290 ( 25.645 3.522 -11.826) 28.459 8.480 ( 14.550 5.555 -13.001) 20.288 9.071 ( 2.508 2.509 9.850) 10.470 9.280 ( -1.842 -5.101 -4.837) 7.267 9.753 ( -1.247 2.569 4.221) 5.096 9.933 ( -7.252 -11.845 0.472) 13.896 10.371 ( 8.177 1.724 -14.360) 16.615 10.505 ( -0.157 -3.841 4.091) 5.614 11.045 ( 0.194 0.747 -17.695) 17.712 11.201 ( -4.302 2.782 -13.507) 14.446 11.405 ( -1.514 -0.721 -18.387) 18.463 11.782 ( -17.635 2.112 -7.551) 19.300 12.241 ( 4.282 -0.465 3.028) 5.265 12.470 ( -5.804 0.163 4.925) 7.614 12.930 ( 0.401 2.823 11.134) 11.493 13.001 ( 0.740 0.982 3.510) 3.719 13.157 ( 1.821 2.750 7.172) 7.894 13.238 ( -1.454 -4.065 6.636) 7.916 13.308 ( 0.885 -0.580 1.910) 2.184 13.392 ( -2.481 -3.755 5.955) 7.465 13.773 ( 1.826 -4.046 16.239) 16.835 14.038 ( -10.223 -0.919 15.009) 18.183 14.291 ( 5.697 -1.025 0.742) 5.836 14.419 ( -1.910 -0.118 0.579) 1.999 14.784 ( -2.359 4.194 6.744) 8.285 14.887 ( -5.535 -0.538 6.782) 8.771 15.850 ( 3.105 5.806 0.951) 6.652 15.893 ( 1.727 1.351 0.865) 2.357 16.579 ( 10.129 -0.409 -2.774) 10.510 16.985 ( -11.317 -0.334 -4.974) 12.366 22.727 ( 2.534 -0.211 2.604) 3.640 22.826 ( -1.449 -0.114 3.336) 3.639 22.932 ( -0.020 1.662 6.039) 6.263 22.991 ( -2.064 -3.157 6.590) 7.593 23.566 ( 4.139 1.125 0.907) 4.384 23.736 ( -4.028 1.332 0.940) 4.345 24.232 ( 18.670 -0.111 -3.992) 19.092 24.900 ( -13.648 -0.711 -6.340) 15.066 ======================= Grid point 121 (50/150) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -0.000 7.233 1.065) 7.311 3.217 ( 0.000 2.880 2.723) 3.963 3.453 ( -0.000 7.534 10.782) 13.154 3.476 ( 0.000 5.584 11.151) 12.471 4.769 ( -0.000 -0.476 -6.630) 6.647 4.776 ( 0.000 -1.206 -6.783) 6.890 5.705 ( -0.000 -0.993 -1.427) 1.739 5.713 ( 0.000 -2.275 -1.361) 2.651 6.427 ( -0.000 -4.628 -10.992) 11.926 6.469 ( 0.000 -8.058 -9.200) 12.230 8.608 ( -0.000 5.786 -16.502) 17.487 8.612 ( 0.000 5.864 -17.273) 18.241 9.148 ( -0.000 1.911 10.459) 10.632 9.205 ( 0.000 -2.809 11.700) 12.032 9.765 ( 0.000 -4.604 2.960) 5.474 9.776 ( -0.000 -5.969 2.871) 6.623 10.493 ( 0.000 -2.563 -6.968) 7.425 10.531 ( -0.000 -5.684 -5.261) 7.745 11.109 ( 0.000 4.285 -12.229) 12.958 11.122 ( 0.000 3.356 -10.021) 10.568 11.449 ( -0.000 0.914 -23.647) 23.665 11.460 ( 0.000 0.543 -21.144) 21.151 12.345 ( -0.000 0.523 2.557) 2.610 12.356 ( 0.000 -0.749 2.899) 2.995 12.953 ( -0.000 3.792 10.772) 11.420 12.983 ( 0.000 1.935 9.945) 10.131 13.191 ( 0.000 0.274 6.048) 6.054 13.220 ( 0.000 -3.005 9.001) 9.489 13.306 ( -0.000 -0.339 2.778) 2.798 13.376 ( 0.000 -5.774 5.539) 8.002 13.837 ( -0.000 -0.660 15.140) 15.155 13.889 ( 0.000 -4.988 17.542) 18.238 14.375 ( -0.000 0.355 -0.389) 0.527 14.384 ( 0.000 -0.329 -0.556) 0.646 14.765 ( 0.000 4.253 5.812) 7.202 14.820 ( -0.000 -1.005 8.034) 8.096 15.885 ( 0.000 5.140 0.037) 5.140 15.908 ( 0.000 3.296 1.234) 3.519 16.759 ( 0.000 0.451 -4.310) 4.333 16.789 ( -0.000 -2.073 -2.994) 3.642 22.779 ( -0.000 0.765 2.940) 3.038 22.787 ( 0.000 0.003 3.250) 3.250 22.937 ( -0.000 -0.078 5.793) 5.794 22.964 ( 0.000 -2.548 6.937) 7.390 23.646 ( 0.000 1.598 0.723) 1.754 23.657 ( -0.000 0.714 1.085) 1.299 24.584 ( 0.000 0.461 -5.693) 5.711 24.600 ( -0.000 -1.162 -4.872) 5.009 ======================= Grid point 162 (51/150) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 0.000 31.759) 31.759 1.418 ( 0.000 0.000 33.326) 33.326 2.495 ( 0.000 0.000 55.054) 55.054 3.820 ( 0.000 0.000 -1.181) 1.181 4.055 ( 0.000 0.000 -6.800) 6.800 4.442 ( 0.000 0.000 -3.075) 3.075 5.379 ( 0.000 0.000 -5.884) 5.884 6.324 ( 0.000 0.000 -11.015) 11.015 6.458 ( 0.000 0.000 -31.762) 31.762 6.669 ( 0.000 0.000 -18.105) 18.105 7.091 ( 0.000 0.000 -9.113) 9.113 8.158 ( 0.000 0.000 -34.181) 34.181 9.181 ( 0.000 0.000 -20.210) 20.210 9.434 ( 0.000 0.000 -3.535) 3.535 9.490 ( 0.000 0.000 10.272) 10.272 9.777 ( 0.000 0.000 -5.458) 5.458 10.138 ( 0.000 0.000 -22.000) 22.000 11.019 ( 0.000 0.000 12.915) 12.915 11.308 ( 0.000 0.000 10.763) 10.763 11.391 ( 0.000 0.000 6.062) 6.062 11.598 ( 0.000 0.000 -13.203) 13.203 12.102 ( 0.000 0.000 14.791) 14.791 12.588 ( 0.000 0.000 -0.542) 0.542 12.654 ( 0.000 0.000 1.911) 1.911 12.694 ( 0.000 0.000 -1.182) 1.182 12.903 ( 0.000 0.000 -1.110) 1.110 13.460 ( 0.000 0.000 1.056) 1.056 13.500 ( 0.000 0.000 12.814) 12.814 13.638 ( 0.000 0.000 0.407) 0.407 13.651 ( 0.000 0.000 0.023) 0.023 14.132 ( 0.000 0.000 0.878) 0.878 14.456 ( 0.000 0.000 5.788) 5.788 14.472 ( 0.000 0.000 10.935) 10.935 14.698 ( 0.000 0.000 9.324) 9.324 14.895 ( 0.000 0.000 2.848) 2.848 15.250 ( 0.000 0.000 2.835) 2.835 15.563 ( 0.000 0.000 0.022) 0.022 15.624 ( 0.000 0.000 11.583) 11.583 15.851 ( 0.000 0.000 0.350) 0.350 16.719 ( 0.000 0.000 2.186) 2.186 22.674 ( 0.000 0.000 3.188) 3.188 22.900 ( 0.000 0.000 2.514) 2.514 23.252 ( 0.000 0.000 2.384) 2.384 23.332 ( 0.000 0.000 2.207) 2.207 23.384 ( 0.000 0.000 -4.554) 4.554 23.423 ( 0.000 0.000 7.637) 7.637 23.622 ( 0.000 0.000 -0.996) 0.996 25.175 ( 0.000 0.000 -8.007) 8.007 ======================= Grid point 163 (52/150) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 16.515 0.000 28.260) 32.731 1.695 ( 17.509 0.000 31.413) 35.963 2.613 ( 17.519 0.000 49.126) 52.156 3.908 ( 4.939 0.000 -2.864) 5.709 4.022 ( -3.529 0.000 -5.349) 6.408 4.338 ( -6.155 0.000 -0.716) 6.197 5.561 ( 16.271 0.000 -8.844) 18.519 6.200 ( -10.011 0.000 -8.228) 12.958 6.401 ( -3.167 0.000 -26.519) 26.708 6.815 ( 11.597 0.000 -20.134) 23.235 7.189 ( 7.076 0.000 -15.632) 17.159 8.082 ( -7.079 0.000 -33.431) 34.173 9.211 ( 4.247 0.000 -18.379) 18.864 9.244 ( -15.961 0.000 0.722) 15.978 9.532 ( 8.708 0.000 -0.339) 8.714 9.930 ( 7.169 0.000 5.311) 8.922 10.124 ( -0.715 0.000 -21.453) 21.465 10.834 ( -9.557 0.000 16.461) 19.034 11.365 ( -4.136 0.000 4.603) 6.188 11.447 ( -0.185 0.000 -11.998) 11.999 11.721 ( 17.191 0.000 2.221) 17.334 12.058 ( -4.099 0.000 14.458) 15.028 12.559 ( -2.278 0.000 1.932) 2.987 12.643 ( -4.058 0.000 -4.611) 6.142 12.698 ( 3.790 0.000 -0.512) 3.825 12.975 ( 5.447 0.000 1.902) 5.770 13.330 ( -9.963 0.000 11.683) 15.354 13.335 ( -9.884 0.000 0.943) 9.929 13.722 ( 4.638 0.000 0.598) 4.676 13.748 ( 5.218 0.000 1.503) 5.430 14.174 ( 3.684 0.000 0.844) 3.780 14.351 ( -7.838 0.000 8.956) 11.901 14.426 ( -4.298 0.000 10.634) 11.470 14.656 ( -4.251 0.000 8.795) 9.769 14.841 ( -1.249 0.000 8.871) 8.958 15.073 ( -14.779 0.000 2.015) 14.916 15.466 ( -7.384 0.000 14.606) 16.366 15.595 ( -0.729 0.000 1.485) 1.654 16.134 ( 17.808 0.000 -0.437) 17.813 16.781 ( 5.035 0.000 -4.227) 6.575 22.712 ( 3.014 0.000 1.421) 3.332 22.914 ( 1.391 0.000 2.420) 2.791 23.168 ( -9.811 0.000 -0.396) 9.819 23.277 ( 2.195 0.000 2.743) 3.514 23.349 ( -2.085 0.000 2.180) 3.017 23.484 ( 0.580 0.000 5.748) 5.777 23.783 ( 13.643 0.000 -3.366) 14.053 25.139 ( -3.464 0.000 -7.695) 8.438 ======================= Grid point 164 (53/150) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 26.134 0.000 21.960) 34.135 1.966 ( 13.662 0.000 33.667) 36.334 3.223 ( 37.630 0.000 29.455) 47.787 3.766 ( -17.968 0.000 -2.865) 18.195 3.891 ( -10.342 0.000 -0.901) 10.381 4.416 ( 11.080 0.000 2.029) 11.265 5.943 ( 19.298 0.000 -18.244) 26.557 6.017 ( -6.645 0.000 -7.216) 9.810 6.375 ( 1.778 0.000 -17.250) 17.342 7.056 ( 10.908 0.000 -20.559) 23.274 7.275 ( 0.524 0.000 -26.341) 26.346 7.892 ( -11.897 0.000 -30.683) 32.909 9.004 ( -5.688 0.000 -1.470) 5.875 9.404 ( 14.785 0.000 -11.333) 18.629 9.725 ( 9.589 0.000 2.474) 9.903 9.975 ( -1.826 0.000 9.344) 9.520 10.118 ( -0.233 0.000 -18.277) 18.279 10.727 ( -1.851 0.000 16.536) 16.639 11.193 ( -12.415 0.000 3.149) 12.808 11.339 ( -8.566 0.000 -16.175) 18.303 11.959 ( -5.013 0.000 10.870) 11.970 12.082 ( 12.574 0.000 -4.368) 13.311 12.535 ( 2.007 0.000 6.398) 6.705 12.556 ( -4.090 0.000 -3.723) 5.530 12.790 ( 5.220 0.000 -2.856) 5.951 13.053 ( 1.088 0.000 7.164) 7.246 13.118 ( -10.709 0.000 2.472) 10.990 13.210 ( -1.502 0.000 4.970) 5.192 13.804 ( 3.523 0.000 1.227) 3.730 13.812 ( 1.817 0.000 0.491) 1.883 14.237 ( 1.341 0.000 2.977) 3.265 14.238 ( -2.102 0.000 9.830) 10.052 14.369 ( -1.128 0.000 12.242) 12.294 14.536 ( -6.342 0.000 4.361) 7.697 14.816 ( -8.993 0.000 5.985) 10.803 14.831 ( -1.336 0.000 9.308) 9.403 15.332 ( -6.421 0.000 17.230) 18.387 15.493 ( -8.308 0.000 7.198) 10.992 16.462 ( 14.488 0.000 -2.377) 14.681 16.872 ( 3.327 0.000 -8.845) 9.450 22.766 ( 2.106 0.000 0.793) 2.250 22.954 ( 2.605 0.000 1.794) 3.163 22.998 ( -7.035 0.000 0.152) 7.036 23.290 ( -3.726 0.000 2.317) 4.388 23.328 ( 2.676 0.000 3.704) 4.569 23.477 ( -0.912 0.000 5.486) 5.561 24.084 ( 15.677 0.000 -4.190) 16.228 25.040 ( -6.398 0.000 -7.212) 9.641 ======================= Grid point 165 (54/150) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 22.168 0.000 21.998) 31.230 2.507 ( 29.385 0.000 16.301) 33.604 3.328 ( -24.396 0.000 2.557) 24.530 3.580 ( -20.247 0.000 4.985) 20.852 3.944 ( 31.447 0.000 18.856) 36.667 4.572 ( 1.690 0.000 3.891) 4.242 5.969 ( 1.791 0.000 -10.264) 10.419 6.139 ( -0.598 0.000 -22.924) 22.932 6.610 ( 21.368 0.000 -11.568) 24.299 7.208 ( 4.565 0.000 -25.948) 26.347 7.222 ( -5.144 0.000 -29.229) 29.678 7.605 ( -16.509 0.000 -28.971) 33.345 9.073 ( 12.132 0.000 2.641) 12.416 9.601 ( -1.495 0.000 -0.397) 1.547 9.930 ( -0.903 0.000 6.230) 6.295 10.006 ( 20.210 0.000 0.989) 20.234 10.096 ( -1.198 0.000 -8.384) 8.469 10.690 ( -3.812 0.000 15.469) 15.932 10.949 ( -9.094 0.000 -3.334) 9.686 11.124 ( -12.590 0.000 -17.347) 21.434 11.898 ( -0.279 0.000 4.822) 4.830 12.106 ( -6.704 0.000 -6.887) 9.612 12.505 ( -0.586 0.000 -0.510) 0.777 12.614 ( -0.208 0.000 1.311) 1.328 12.911 ( 6.809 0.000 1.372) 6.946 12.996 ( 1.254 0.000 3.534) 3.750 13.041 ( -1.440 0.000 6.432) 6.591 13.196 ( -1.722 0.000 1.431) 2.239 13.846 ( 1.718 0.000 -0.387) 1.761 13.859 ( 1.810 0.000 1.162) 2.151 14.227 ( -0.345 0.000 8.609) 8.616 14.249 ( 1.801 0.000 6.486) 6.732 14.381 ( 2.380 0.000 12.860) 13.078 14.464 ( -1.381 0.000 -0.867) 1.630 14.698 ( -3.918 0.000 8.063) 8.964 14.756 ( -6.052 0.000 7.921) 9.968 15.224 ( -3.609 0.000 19.383) 19.716 15.320 ( -7.781 0.000 12.701) 14.895 16.704 ( 9.678 0.000 -4.253) 10.572 16.902 ( -0.493 0.000 -8.245) 8.260 22.798 ( 1.281 0.000 1.410) 1.905 22.887 ( -4.115 0.000 0.911) 4.215 23.020 ( 3.974 0.000 1.257) 4.168 23.205 ( -4.700 0.000 1.958) 5.091 23.379 ( 2.365 0.000 4.504) 5.087 23.454 ( -1.386 0.000 5.162) 5.345 24.391 ( 14.733 0.000 -4.976) 15.550 24.882 ( -9.416 0.000 -6.602) 11.500 ======================= Grid point 166 (55/150) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -23.521 0.000 10.514) 25.764 2.811 ( 23.521 0.000 10.514) 25.764 3.095 ( -26.515 0.000 11.103) 28.746 3.095 ( 26.515 0.000 11.103) 28.746 4.430 ( -16.115 0.000 10.074) 19.005 4.430 ( 16.115 0.000 10.074) 19.005 6.056 ( -4.820 0.000 -15.374) 16.112 6.056 ( 4.820 0.000 -15.374) 16.112 7.033 ( -16.339 0.000 -18.580) 24.742 7.033 ( 16.339 0.000 -18.580) 24.742 7.312 ( -8.481 0.000 -32.325) 33.419 7.312 ( 8.481 0.000 -32.325) 33.419 9.393 ( -15.537 0.000 4.783) 16.257 9.393 ( 15.537 0.000 4.783) 16.257 9.976 ( -4.247 0.000 1.376) 4.465 9.976 ( 4.247 0.000 1.376) 4.465 10.480 ( -18.618 0.000 7.641) 20.125 10.480 ( 18.618 0.000 7.641) 20.125 10.911 ( -4.858 0.000 -13.850) 14.677 10.911 ( 4.858 0.000 -13.850) 14.677 11.958 ( -5.653 0.000 -1.628) 5.883 11.958 ( 5.653 0.000 -1.628) 5.883 12.540 ( -1.615 0.000 -0.071) 1.617 12.540 ( 1.615 0.000 -0.071) 1.617 12.999 ( -1.641 0.000 5.362) 5.608 12.999 ( 1.641 0.000 5.362) 5.608 13.117 ( -5.845 0.000 0.615) 5.877 13.117 ( 5.845 0.000 0.615) 5.877 13.872 ( -0.020 0.000 0.045) 0.050 13.872 ( 0.020 0.000 0.045) 0.050 14.255 ( -0.178 0.000 7.534) 7.536 14.255 ( 0.178 0.000 7.534) 7.536 14.440 ( -0.745 0.000 5.733) 5.781 14.440 ( 0.745 0.000 5.733) 5.781 14.656 ( -1.057 0.000 7.600) 7.673 14.656 ( 1.057 0.000 7.600) 7.673 15.213 ( -2.453 0.000 17.639) 17.809 15.213 ( 2.453 0.000 17.639) 17.809 16.849 ( -4.797 0.000 -6.268) 7.893 16.849 ( 4.797 0.000 -6.268) 7.893 22.828 ( -1.088 0.000 1.450) 1.813 22.828 ( 1.088 0.000 1.450) 1.813 23.109 ( -2.786 0.000 1.448) 3.140 23.109 ( 2.786 0.000 1.448) 3.140 23.421 ( -1.845 0.000 4.910) 5.245 23.421 ( 1.845 0.000 4.910) 5.245 24.664 ( -11.455 0.000 -5.817) 12.848 24.664 ( 11.455 0.000 -5.817) 12.848 ======================= Grid point 171 (56/150) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 14.301 29.748) 33.007 1.719 ( 0.000 24.565 28.301) 37.475 2.561 ( 0.000 12.858 50.103) 51.727 3.832 ( 0.000 0.967 -0.649) 1.165 4.097 ( 0.000 1.580 -6.506) 6.695 4.459 ( 0.000 3.016 -1.460) 3.351 5.412 ( 0.000 2.870 -4.558) 5.386 6.218 ( 0.000 -7.460 -20.065) 21.407 6.492 ( 0.000 -14.455 -15.064) 20.878 6.530 ( 0.000 5.277 -19.947) 20.633 7.112 ( 0.000 0.128 -10.416) 10.417 8.122 ( 0.000 -4.385 -33.626) 33.911 9.052 ( 0.000 -17.730 1.461) 17.790 9.161 ( 0.000 -2.938 -21.167) 21.370 9.595 ( 0.000 -11.803 -10.209) 15.605 9.737 ( 0.000 4.881 -4.495) 6.635 10.215 ( 0.000 3.855 -18.052) 18.459 10.994 ( 0.000 -2.532 14.604) 14.822 11.140 ( 0.000 -1.870 16.228) 16.335 11.490 ( 0.000 -9.142 -16.252) 18.647 11.696 ( 0.000 15.757 7.584) 17.487 12.070 ( 0.000 -3.623 11.654) 12.204 12.631 ( 0.000 3.806 -0.290) 3.818 12.638 ( 0.000 -1.804 2.969) 3.474 12.711 ( 0.000 1.916 -1.386) 2.364 12.947 ( 0.000 3.572 -1.269) 3.791 13.309 ( 0.000 -8.913 8.834) 12.549 13.457 ( 0.000 -4.477 11.705) 12.532 13.595 ( 0.000 -4.654 1.468) 4.880 13.674 ( 0.000 0.819 -0.051) 0.820 14.035 ( 0.000 -6.273 2.847) 6.889 14.444 ( 0.000 -1.618 12.729) 12.831 14.599 ( 0.000 9.766 0.824) 9.800 14.737 ( 0.000 4.269 10.839) 11.650 14.904 ( 0.000 1.609 4.846) 5.106 15.178 ( 0.000 -4.419 3.533) 5.658 15.587 ( 0.000 -1.794 9.859) 10.021 15.733 ( 0.000 9.534 2.478) 9.850 15.857 ( 0.000 0.427 0.298) 0.521 16.828 ( 0.000 9.243 -5.222) 10.616 22.681 ( 0.000 0.659 3.118) 3.186 22.913 ( 0.000 1.184 2.708) 2.956 23.199 ( 0.000 -2.648 2.800) 3.854 23.356 ( 0.000 -2.228 7.585) 7.906 23.370 ( 0.000 -1.318 -4.396) 4.589 23.426 ( 0.000 1.792 7.642) 7.849 23.604 ( 0.000 0.976 -0.888) 1.320 25.211 ( 0.000 1.997 -11.314) 11.489 ======================= Grid point 172 (57/150) ======================= q-point: ( 0.12 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 12.484 15.514 26.931) 33.494 1.853 ( 9.853 12.823 32.814) 36.582 2.767 ( 22.240 17.441 40.252) 49.184 3.890 ( 0.555 -1.644 -2.453) 3.005 4.089 ( 1.895 4.324 -4.643) 6.622 4.359 ( -7.758 2.944 0.692) 8.327 5.537 ( 10.188 -2.060 -7.929) 13.073 6.207 ( 0.972 -3.477 -16.411) 16.804 6.335 ( -8.774 -1.756 -13.376) 16.093 6.695 ( 10.734 -8.650 -20.824) 24.974 7.237 ( 9.148 2.451 -15.417) 18.094 8.030 ( -8.055 -5.695 -32.037) 33.521 9.043 ( -1.987 -12.469 0.625) 12.642 9.211 ( 4.690 -1.568 -19.619) 20.233 9.466 ( -1.952 -6.862 -8.799) 11.328 9.922 ( 9.100 -1.218 -3.315) 9.762 10.227 ( 1.057 5.722 -14.951) 16.043 10.798 ( -10.464 -1.913 17.738) 20.683 11.273 ( 3.309 -2.650 6.292) 7.587 11.426 ( -4.959 -7.704 -13.666) 16.453 11.808 ( 9.034 8.984 6.817) 14.450 12.011 ( -5.342 -4.823 10.583) 12.799 12.538 ( -5.100 -1.022 1.600) 5.442 12.664 ( -0.640 0.690 -1.534) 1.800 12.755 ( 3.983 4.489 -1.216) 6.123 13.002 ( 4.217 2.221 0.919) 4.854 13.170 ( -8.329 -5.949 10.433) 14.616 13.455 ( -6.676 3.425 3.703) 8.367 13.602 ( 4.889 -9.168 5.453) 11.734 13.732 ( 3.980 -2.320 1.998) 5.021 14.032 ( -0.106 -7.184 4.576) 8.518 14.383 ( -4.834 1.562 10.090) 11.296 14.614 ( 0.432 7.610 2.793) 8.118 14.704 ( -2.716 8.555 8.316) 12.236 14.865 ( -2.714 1.829 10.257) 10.766 15.001 ( -14.543 -3.028 2.719) 15.102 15.437 ( -7.110 -2.336 15.089) 16.843 15.729 ( -1.208 8.488 0.899) 8.620 16.133 ( 16.996 -0.117 -0.040) 16.996 16.844 ( 1.615 5.858 -7.535) 9.680 22.718 ( 2.900 0.486 1.569) 3.333 22.921 ( 0.606 0.558 2.698) 2.821 23.136 ( -6.894 -2.749 1.175) 7.515 23.256 ( 0.172 -0.021 2.812) 2.817 23.410 ( -0.941 2.797 8.051) 8.575 23.499 ( 1.895 1.926 2.224) 3.500 23.722 ( 12.309 -4.082 -2.367) 13.183 25.165 ( -4.346 1.455 -10.348) 11.318 ======================= Grid point 173 (58/150) ======================= q-point: ( 0.25 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 16.128 8.807 27.766) 33.296 2.119 ( 19.803 11.819 25.989) 34.746 3.377 ( 34.616 14.323 25.280) 45.194 3.717 ( -15.542 -2.817 -1.355) 15.853 4.023 ( -13.243 10.041 -0.061) 16.619 4.382 ( 10.489 -2.825 1.973) 11.041 5.706 ( 5.532 -11.091 -13.691) 18.468 6.188 ( -5.749 -6.225 -16.257) 18.333 6.357 ( 14.854 10.497 -10.334) 20.920 6.917 ( 10.247 -10.745 -20.016) 24.922 7.343 ( -0.237 3.542 -24.241) 24.500 7.861 ( -8.077 -3.143 -29.370) 30.622 8.984 ( -0.532 -1.121 -3.386) 3.606 9.400 ( 13.586 -2.138 -8.239) 16.033 9.564 ( 9.989 -8.817 -4.736) 14.141 10.028 ( 1.558 0.846 -2.365) 2.955 10.209 ( -3.601 7.026 -7.684) 11.017 10.684 ( -0.750 -3.680 13.771) 14.274 11.180 ( -11.085 -0.120 2.969) 11.476 11.308 ( -7.365 -5.068 -16.322) 18.610 11.874 ( -6.096 -8.025 8.175) 12.976 11.968 ( 2.091 -6.247 -1.543) 6.766 12.465 ( -1.276 -3.050 4.821) 5.846 12.643 ( -1.224 2.738 0.840) 3.115 12.833 ( 4.132 3.026 -1.478) 5.330 13.036 ( -1.726 -0.600 5.604) 5.894 13.089 ( 0.106 0.666 4.174) 4.228 13.308 ( -6.018 4.820 2.665) 8.158 13.675 ( 2.527 -7.451 4.396) 9.013 13.832 ( 5.564 -2.690 2.229) 6.570 14.046 ( 1.946 -5.820 6.634) 9.037 14.311 ( -1.773 3.928 10.192) 11.066 14.535 ( -8.223 2.176 5.140) 9.939 14.644 ( -6.622 3.866 4.862) 9.079 14.743 ( -1.122 6.886 5.267) 8.742 14.867 ( -2.134 2.238 11.302) 11.717 15.316 ( -5.397 -0.942 18.079) 18.891 15.633 ( -8.066 9.912 4.139) 13.432 16.443 ( 13.747 -1.683 -1.869) 13.975 16.881 ( 1.558 1.161 -9.425) 9.623 22.767 ( 1.719 0.097 0.893) 1.939 22.923 ( -1.163 -1.614 1.914) 2.761 23.029 ( -2.338 1.464 1.636) 3.207 23.270 ( -0.130 0.080 4.215) 4.217 23.393 ( -0.188 3.305 6.002) 6.854 23.502 ( -0.755 3.149 2.431) 4.049 24.018 ( 15.962 -5.525 -3.477) 17.245 25.046 ( -7.483 0.066 -8.760) 11.521 ======================= Grid point 174 (59/150) ======================= q-point: ( 0.38 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 21.100 6.317 20.067) 29.796 2.604 ( 26.835 8.181 17.590) 33.113 3.331 ( -21.863 0.747 3.729) 22.191 3.657 ( -21.989 6.231 6.568) 23.780 4.031 ( 28.039 8.188 15.875) 33.245 4.544 ( 3.099 -1.590 2.285) 4.166 5.803 ( 5.347 -10.951 -15.991) 20.106 6.079 ( -5.782 -7.854 -15.907) 18.659 6.737 ( 20.215 8.651 -11.705) 24.910 7.048 ( 1.981 -9.678 -19.285) 21.668 7.290 ( -1.489 1.850 -30.156) 30.249 7.670 ( -12.255 6.148 -30.111) 33.086 9.112 ( 13.234 3.562 1.501) 13.786 9.589 ( 2.705 -2.239 0.724) 3.585 9.827 ( 7.967 -6.168 4.515) 11.041 10.052 ( 5.340 1.355 1.451) 5.697 10.147 ( 1.988 4.891 -10.055) 11.357 10.671 ( -4.106 -1.419 12.475) 13.210 10.944 ( -8.196 -0.648 -5.931) 10.138 11.126 ( -11.065 -0.185 -16.766) 20.089 11.765 ( -3.795 -12.292 1.657) 12.971 11.884 ( -8.183 -17.911 -7.895) 21.216 12.466 ( 0.342 -2.141 6.916) 7.248 12.614 ( -2.101 -1.400 2.741) 3.727 12.940 ( 5.044 2.307 0.106) 5.547 13.021 ( 1.035 2.460 4.231) 5.002 13.068 ( -0.394 2.022 6.669) 6.980 13.236 ( -2.735 3.241 1.143) 4.392 13.722 ( 2.024 -5.907 2.034) 6.567 13.919 ( 2.577 -2.474 -0.051) 3.573 14.113 ( 3.962 -1.149 6.982) 8.110 14.303 ( 1.220 1.710 9.408) 9.640 14.395 ( -3.397 -0.646 7.813) 8.544 14.559 ( -2.262 -0.180 4.553) 5.087 14.725 ( -2.832 10.178 8.107) 13.317 14.815 ( -2.882 4.509 8.975) 10.449 15.242 ( -1.076 2.686 18.733) 18.955 15.446 ( -9.501 10.057 8.384) 16.177 16.677 ( 9.513 -2.497 -3.987) 10.612 16.888 ( -1.175 -1.106 -8.308) 8.463 22.789 ( 0.693 -0.552 1.405) 1.661 22.875 ( -2.563 -0.803 1.595) 3.124 23.043 ( 2.452 1.707 2.465) 3.873 23.236 ( -2.740 2.269 4.564) 5.786 23.411 ( 1.690 2.730 4.306) 5.371 23.480 ( -1.374 3.008 3.016) 4.476 24.334 ( 15.235 -4.949 -4.897) 16.750 24.868 ( -10.233 -1.484 -7.333) 12.676 ======================= Grid point 175 (60/150) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -0.000 1.137 9.702) 9.769 2.916 ( -0.000 6.296 11.407) 13.029 3.152 ( -0.000 5.578 12.277) 13.485 3.172 ( 0.000 6.030 12.461) 13.843 4.445 ( -0.000 2.326 8.132) 8.458 4.457 ( 0.000 2.488 6.869) 7.306 5.903 ( 0.000 -11.170 -19.152) 22.171 5.976 ( 0.000 -7.692 -12.831) 14.960 6.980 ( -0.000 -6.141 -13.894) 15.190 7.068 ( 0.000 -3.029 -14.125) 14.446 7.344 ( 0.000 7.692 -35.656) 36.477 7.431 ( -0.000 10.975 -30.778) 32.676 9.384 ( -0.000 1.570 7.076) 7.248 9.493 ( 0.000 6.148 1.241) 6.272 9.898 ( 0.000 -6.168 4.387) 7.569 10.000 ( -0.000 -0.082 4.747) 4.748 10.448 ( 0.000 0.255 5.179) 5.185 10.505 ( -0.000 0.839 -1.314) 1.560 10.898 ( -0.000 0.847 -14.843) 14.867 10.942 ( 0.000 1.059 -13.542) 13.583 11.741 ( 0.000 -18.471 -2.339) 18.618 11.766 ( -0.000 -18.272 -7.218) 19.646 12.472 ( 0.000 -1.516 9.273) 9.396 12.580 ( -0.000 -1.367 -0.636) 1.508 12.972 ( -0.000 -0.252 4.203) 4.211 13.036 ( 0.000 1.743 8.415) 8.593 13.144 ( 0.000 3.620 0.383) 3.640 13.160 ( -0.000 2.761 1.291) 3.048 13.744 ( 0.000 -5.272 0.910) 5.350 13.940 ( 0.000 -3.069 -0.797) 3.171 14.155 ( 0.000 -0.016 7.216) 7.216 14.325 ( 0.000 -1.753 7.905) 8.097 14.421 ( -0.000 2.331 6.627) 7.025 14.492 ( 0.000 1.270 4.985) 5.144 14.703 ( 0.000 2.347 13.527) 13.729 14.762 ( 0.000 10.507 6.837) 12.535 15.284 ( 0.000 7.451 16.253) 17.879 15.295 ( -0.000 7.289 11.576) 13.680 16.813 ( 0.000 -2.934 -6.132) 6.798 16.836 ( -0.000 -1.464 -6.221) 6.391 22.798 ( 0.000 -0.928 1.523) 1.783 22.845 ( 0.000 0.058 1.889) 1.890 23.081 ( 0.000 0.333 2.962) 2.980 23.196 ( 0.000 4.132 3.896) 5.679 23.444 ( -0.000 2.473 3.800) 4.534 23.452 ( 0.000 2.935 3.532) 4.592 24.579 ( 0.000 -5.149 -6.636) 8.399 24.674 ( -0.000 -1.556 -5.624) 5.835 ======================= Grid point 180 (61/150) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 20.276 23.567) 31.089 2.057 ( 0.000 12.733 35.867) 38.060 3.136 ( 0.000 35.376 26.456) 44.174 3.848 ( 0.000 0.258 0.867) 0.905 4.019 ( 0.000 -8.996 -5.197) 10.389 4.590 ( 0.000 7.826 2.779) 8.305 5.455 ( 0.000 -0.854 1.566) 1.784 6.074 ( 0.000 -5.643 -21.552) 22.279 6.192 ( 0.000 -11.052 -14.901) 18.553 6.691 ( 0.000 11.140 -12.966) 17.094 7.055 ( 0.000 -5.648 -10.247) 11.700 7.924 ( 0.000 -15.054 -26.966) 30.884 8.820 ( 0.000 -3.843 -8.985) 9.772 9.018 ( 0.000 -9.948 -18.840) 21.305 9.425 ( 0.000 -4.868 -15.950) 16.676 9.667 ( 0.000 -9.302 -15.822) 18.354 10.266 ( 0.000 1.769 -16.966) 17.058 10.896 ( 0.000 -7.226 14.111) 15.853 11.263 ( 0.000 11.216 24.304) 26.767 11.293 ( 0.000 -8.283 -20.748) 22.340 11.923 ( 0.000 -11.233 5.356) 12.444 11.970 ( 0.000 10.435 9.652) 14.215 12.570 ( 0.000 -4.506 3.818) 5.906 12.706 ( 0.000 2.883 -0.815) 2.996 12.805 ( 0.000 7.092 0.302) 7.098 13.020 ( 0.000 2.795 2.926) 4.046 13.209 ( 0.000 -0.418 8.037) 8.048 13.314 ( 0.000 -8.377 8.833) 12.173 13.499 ( 0.000 -4.319 4.226) 6.042 13.659 ( 0.000 -1.587 3.841) 4.156 13.916 ( 0.000 -5.385 3.577) 6.465 14.434 ( 0.000 0.341 14.559) 14.563 14.733 ( 0.000 2.278 -5.168) 5.648 14.822 ( 0.000 1.419 8.540) 8.657 15.021 ( 0.000 10.109 8.016) 12.901 15.130 ( 0.000 1.964 9.164) 9.373 15.571 ( 0.000 0.699 10.298) 10.322 15.860 ( 0.000 -0.397 0.245) 0.466 15.871 ( 0.000 3.829 5.062) 6.346 17.035 ( 0.000 9.601 -12.246) 15.561 22.700 ( 0.000 1.163 2.921) 3.145 22.939 ( 0.000 1.165 3.231) 3.435 23.160 ( 0.000 -1.676 6.048) 6.276 23.293 ( 0.000 -1.870 7.148) 7.389 23.333 ( 0.000 -2.205 -3.974) 4.544 23.452 ( 0.000 0.636 8.990) 9.013 23.698 ( 0.000 6.836 -0.393) 6.847 25.216 ( 0.000 -1.604 -13.215) 13.312 ======================= Grid point 181 (62/150) ======================= q-point: ( 0.12 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 8.865 17.241 27.474) 33.625 2.143 ( 9.443 16.296 28.627) 34.267 3.311 ( 16.944 30.382 23.461) 41.959 3.834 ( -4.194 -3.903 -0.956) 5.808 4.097 ( 9.366 -3.746 -2.172) 10.319 4.492 ( -9.437 8.548 3.238) 13.138 5.492 ( 2.689 -2.173 -3.513) 4.929 5.971 ( -4.182 -14.444 -14.675) 21.011 6.400 ( 13.902 0.454 -16.568) 21.633 6.600 ( -3.315 4.552 -12.948) 14.119 7.249 ( 13.081 -0.891 -14.315) 19.412 7.818 ( -8.023 -14.488 -25.416) 30.335 8.870 ( 4.928 -3.372 -8.573) 10.448 9.109 ( 6.750 -7.564 -16.393) 19.274 9.350 ( -1.110 -3.979 -17.222) 17.711 9.823 ( 10.511 -8.054 -12.029) 17.890 10.279 ( 1.430 0.214 -16.432) 16.495 10.772 ( -10.134 -2.854 16.643) 19.694 11.203 ( -4.560 -7.985 -16.480) 18.872 11.333 ( 0.329 5.401 14.198) 15.194 11.830 ( -7.867 -11.824 4.761) 14.979 12.019 ( 2.466 8.862 8.893) 12.795 12.502 ( -6.332 -2.838 3.358) 7.708 12.697 ( -0.531 2.936 -1.221) 3.223 12.826 ( 1.987 2.399 0.801) 3.216 13.048 ( 1.472 2.151 4.736) 5.406 13.134 ( -2.938 1.478 6.324) 7.128 13.386 ( 2.052 -8.627 5.306) 10.334 13.497 ( 0.552 -1.054 5.756) 5.877 13.665 ( 1.448 -3.355 4.577) 5.857 13.923 ( 1.453 -3.958 4.319) 6.036 14.411 ( -1.838 1.055 12.026) 12.211 14.647 ( -5.989 -1.532 2.621) 6.714 14.835 ( -4.240 1.118 4.980) 6.635 14.973 ( -4.162 5.717 8.789) 11.281 15.093 ( -2.377 13.003 6.096) 14.557 15.402 ( -6.867 0.014 14.861) 16.371 15.853 ( -0.453 3.509 2.357) 4.251 16.122 ( 15.287 -1.145 0.789) 15.350 16.996 ( -3.336 7.867 -11.602) 14.410 22.730 ( 2.362 0.574 2.058) 3.185 22.935 ( -0.680 0.825 3.356) 3.522 23.079 ( -4.470 -2.377 3.909) 6.396 23.279 ( 0.690 1.673 5.306) 5.606 23.430 ( 0.845 -0.199 8.435) 8.479 23.524 ( 9.232 -0.937 0.644) 9.301 23.711 ( 2.520 4.118 -1.372) 5.019 25.165 ( -4.918 -1.581 -12.462) 13.490 ======================= Grid point 182 (63/150) ======================= q-point: ( 0.25 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 13.925 15.805 25.720) 33.245 2.416 ( 16.939 16.569 21.242) 31.823 3.648 ( -8.083 -1.383 3.261) 8.825 3.775 ( 21.458 19.213 14.659) 32.318 4.184 ( -14.386 0.874 7.965) 16.468 4.378 ( 9.779 6.264 -4.130) 12.325 5.540 ( 2.457 -4.193 -13.435) 14.287 5.926 ( -1.350 -14.898 -8.629) 17.269 6.540 ( 3.605 -5.145 -12.356) 13.861 6.784 ( 16.450 6.945 -15.464) 23.621 7.350 ( -3.975 -2.838 -21.576) 22.122 7.779 ( 5.077 -3.883 -25.393) 26.185 8.983 ( 6.711 0.898 -7.313) 9.966 9.249 ( 8.676 -8.770 -3.084) 12.716 9.505 ( 15.390 0.081 -18.321) 23.928 9.985 ( 4.333 -4.860 -4.796) 8.087 10.296 ( -1.811 0.326 -11.325) 11.474 10.607 ( -2.720 -3.891 8.954) 10.135 11.101 ( -5.356 -11.432 -20.626) 24.183 11.220 ( -11.983 3.120 10.504) 16.237 11.648 ( -9.679 -13.331 1.692) 16.561 11.954 ( -11.536 4.669 3.776) 13.005 12.400 ( -1.546 -3.241 5.966) 6.963 12.664 ( -3.612 0.235 3.856) 5.289 12.882 ( 4.662 1.968 -0.494) 5.084 13.074 ( 1.332 3.194 3.046) 4.610 13.114 ( -0.452 1.087 6.112) 6.225 13.345 ( -3.656 -1.321 2.418) 4.578 13.549 ( 3.636 -3.958 6.254) 8.246 13.725 ( 3.693 -6.401 4.368) 8.584 13.998 ( 6.142 -0.281 4.530) 7.637 14.376 ( -1.823 1.533 9.679) 9.968 14.517 ( -7.152 -6.138 8.369) 12.604 14.631 ( -10.236 6.349 5.881) 13.404 14.900 ( -3.415 1.545 12.685) 13.227 15.083 ( -1.131 12.750 4.895) 13.705 15.340 ( -0.065 6.175 15.024) 16.244 15.803 ( -5.054 5.706 2.002) 7.881 16.397 ( 12.176 -2.582 -1.190) 12.503 16.929 ( -3.053 3.357 -10.233) 11.194 22.768 ( 1.150 -0.143 1.521) 1.912 22.909 ( -1.700 0.402 3.377) 3.802 23.037 ( 0.133 -0.504 4.038) 4.072 23.290 ( -0.194 0.894 7.648) 7.703 23.440 ( 1.070 2.032 5.971) 6.397 23.610 ( -0.279 6.285 0.634) 6.323 23.901 ( 15.028 -4.899 -3.524) 16.195 25.027 ( -8.775 -1.947 -10.796) 14.048 ======================= Grid point 183 (64/150) ======================= q-point: ( 0.38 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 17.065 14.028 17.434) 28.142 2.808 ( 21.939 11.194 17.637) 30.293 3.374 ( -15.752 3.546 6.573) 17.433 3.779 ( -22.589 4.657 10.093) 25.176 4.253 ( 20.346 12.017 8.956) 25.270 4.557 ( 5.128 3.070 -3.176) 6.768 5.606 ( 4.179 -7.053 -18.049) 19.824 5.879 ( -3.819 -9.789 -9.790) 14.361 6.656 ( 7.317 -14.812 -9.723) 19.169 6.959 ( -2.066 -4.220 -9.468) 10.570 7.375 ( 11.032 10.029 -30.414) 33.872 7.827 ( -2.820 7.825 -30.405) 31.522 9.190 ( 13.738 2.811 1.141) 14.069 9.477 ( 14.209 -7.012 2.620) 16.060 9.761 ( -0.423 -0.255 -1.216) 1.313 10.035 ( 4.739 -3.139 0.052) 5.684 10.254 ( 4.014 4.155 -12.124) 13.430 10.653 ( 1.280 -0.550 2.656) 2.999 10.905 ( -10.700 -4.414 -6.729) 13.388 11.050 ( -2.342 -8.384 -17.599) 19.635 11.439 ( -11.345 -16.706 -2.429) 20.339 11.593 ( -21.375 -5.318 -1.859) 22.105 12.421 ( 2.233 -2.317 8.290) 8.893 12.577 ( -4.280 -1.554 5.584) 7.205 12.978 ( 2.568 1.352 -0.180) 2.908 13.086 ( 0.051 3.283 7.552) 8.235 13.120 ( 2.886 2.664 4.573) 6.028 13.289 ( -2.455 1.431 1.765) 3.345 13.618 ( 2.945 -4.098 3.317) 6.039 13.777 ( 1.046 -9.185 2.547) 9.589 14.141 ( 6.657 2.439 4.338) 8.311 14.308 ( -4.118 -2.870 10.572) 11.703 14.425 ( -0.303 2.441 9.866) 10.168 14.532 ( -1.052 1.606 6.449) 6.729 14.812 ( -5.384 0.407 15.168) 16.100 15.019 ( -4.181 8.308 8.982) 12.929 15.388 ( 4.374 12.350 10.026) 16.498 15.662 ( -8.252 9.776 3.844) 13.358 16.610 ( 9.063 -3.622 -3.615) 10.408 16.868 ( -3.445 -0.631 -8.163) 8.883 22.783 ( 0.775 0.083 2.102) 2.242 22.872 ( -1.911 0.719 3.189) 3.787 23.065 ( 2.057 0.143 5.040) 5.445 23.267 ( -1.711 0.212 8.652) 8.822 23.478 ( 2.466 3.693 3.204) 5.476 23.581 ( -2.126 6.023 0.833) 6.441 24.221 ( 16.080 -5.165 -5.487) 17.759 24.820 ( -11.717 -2.953 -8.819) 14.959 ======================= Grid point 184 (65/150) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 0.000 7.987 10.299) 13.032 3.079 ( -0.000 9.388 12.278) 15.456 3.290 ( -0.000 7.368 14.262) 16.053 3.324 ( 0.000 8.520 13.511) 15.973 4.539 ( -0.006 6.120 1.672) 6.344 4.539 ( 0.006 5.031 0.481) 5.054 5.675 ( 0.000 -9.221 -18.786) 20.927 5.810 ( 0.000 -7.254 -11.216) 13.357 6.772 ( 0.000 -13.098 -8.626) 15.683 6.876 ( 0.000 -13.431 -8.772) 16.042 7.600 ( -0.000 14.396 -34.779) 37.641 7.707 ( 0.000 13.839 -29.158) 32.276 9.422 ( -0.000 0.970 10.657) 10.701 9.586 ( 0.000 -0.648 -2.137) 2.233 9.770 ( 0.000 -1.783 8.538) 8.722 9.960 ( 0.000 -3.314 3.890) 5.110 10.497 ( 0.000 3.203 -3.893) 5.041 10.540 ( -0.000 2.120 -12.855) 13.029 10.948 ( 0.000 -0.636 -13.055) 13.070 10.952 ( -0.000 3.898 -14.513) 15.028 11.269 ( 0.000 -24.338 -3.652) 24.611 11.326 ( 0.000 -20.768 -5.735) 21.545 12.455 ( -0.000 -0.556 10.716) 10.731 12.521 ( 0.000 -3.268 2.908) 4.374 12.987 ( 0.000 1.438 2.992) 3.319 13.087 ( 0.000 2.809 9.697) 10.096 13.209 ( 0.000 2.001 -0.132) 2.005 13.226 ( -0.000 3.330 3.651) 4.942 13.651 ( 0.000 -3.981 1.556) 4.274 13.781 ( 0.000 -9.918 2.304) 10.182 14.212 ( -0.000 3.998 5.780) 7.028 14.261 ( 0.000 -3.199 11.197) 11.646 14.474 ( -0.000 -2.381 4.445) 5.042 14.510 ( 0.000 3.939 8.281) 9.170 14.736 ( 0.000 1.658 17.011) 17.091 14.967 ( 0.000 7.246 11.445) 13.546 15.492 ( 0.000 10.952 4.508) 11.844 15.515 ( -0.000 13.972 8.547) 16.378 16.737 ( 0.000 -4.018 -6.130) 7.330 16.799 ( -0.000 -1.909 -5.707) 6.018 22.797 ( -0.000 0.821 2.524) 2.654 22.846 ( 0.000 0.348 3.027) 3.047 23.092 ( 0.000 0.252 5.849) 5.854 23.244 ( 0.000 0.189 8.191) 8.193 23.523 ( -0.000 4.738 1.748) 5.051 23.539 ( 0.000 5.117 1.802) 5.425 24.476 ( 0.000 -4.182 -8.216) 9.219 24.610 ( -0.000 -4.180 -6.144) 7.431 ======================= Grid point 189 (66/150) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 18.357 18.913) 26.357 2.381 ( 0.000 18.701 26.357) 32.318 3.632 ( 0.000 -4.287 3.608) 5.603 3.833 ( 0.000 -1.715 3.006) 3.461 3.893 ( 0.000 11.223 10.211) 15.173 4.719 ( 0.000 4.778 6.443) 8.022 5.306 ( 0.000 -11.900 9.356) 15.138 6.004 ( 0.000 -1.057 -17.323) 17.355 6.152 ( 0.000 6.463 -17.917) 19.047 6.900 ( 0.000 -8.558 -9.838) 13.040 6.987 ( 0.000 16.026 -11.606) 19.787 7.559 ( 0.000 -18.150 -20.142) 27.113 8.845 ( 0.000 -5.045 -16.602) 17.351 8.851 ( 0.000 5.205 -18.003) 18.740 9.320 ( 0.000 -6.400 -13.471) 14.914 9.443 ( 0.000 -11.121 -22.250) 24.875 10.313 ( 0.000 3.073 -18.146) 18.404 10.727 ( 0.000 -7.732 -0.632) 7.758 11.168 ( 0.000 -4.148 -16.086) 16.613 11.501 ( 0.000 10.151 26.251) 28.145 11.611 ( 0.000 -17.739 2.380) 17.898 12.132 ( 0.000 5.492 11.412) 12.665 12.478 ( 0.000 -3.819 3.230) 5.002 12.766 ( 0.000 3.083 1.043) 3.254 12.935 ( 0.000 2.966 3.694) 4.737 13.055 ( 0.000 0.876 7.981) 8.029 13.179 ( 0.000 -2.157 6.480) 6.830 13.258 ( 0.000 3.832 2.426) 4.535 13.416 ( 0.000 -3.702 3.060) 4.803 13.636 ( 0.000 -0.244 4.597) 4.604 13.805 ( 0.000 -5.335 3.938) 6.631 14.423 ( 0.000 -2.084 14.852) 14.997 14.742 ( 0.000 -0.403 -4.772) 4.789 14.787 ( 0.000 -2.557 10.456) 10.764 15.258 ( 0.000 11.431 5.458) 12.667 15.263 ( 0.000 8.453 13.485) 15.915 15.610 ( 0.000 2.629 9.818) 10.164 15.832 ( 0.000 -2.372 0.367) 2.400 15.910 ( 0.000 0.323 6.413) 6.421 17.197 ( 0.000 5.843 -13.533) 14.740 22.726 ( 0.000 1.239 2.657) 2.932 22.962 ( 0.000 1.111 4.003) 4.155 23.111 ( 0.000 -2.878 6.488) 7.098 23.285 ( 0.000 -2.187 -3.447) 4.082 23.299 ( 0.000 1.777 7.391) 7.602 23.463 ( 0.000 0.483 6.901) 6.918 23.845 ( 0.000 6.703 1.902) 6.967 25.158 ( 0.000 -3.449 -13.240) 13.682 ======================= Grid point 190 (67/150) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 6.934 18.618 22.940) 30.347 2.517 ( 11.530 18.034 19.835) 29.182 3.629 ( -0.832 -9.131 1.347) 9.267 3.890 ( 6.536 10.913 9.453) 15.848 4.020 ( 10.512 2.017 6.042) 12.291 4.646 ( -6.508 6.291 4.603) 10.155 5.381 ( 6.981 -10.374 7.361) 14.510 5.788 ( -11.368 -0.165 -15.046) 18.858 6.346 ( 5.834 -2.749 -18.081) 19.196 6.797 ( 2.895 8.607 -9.412) 13.079 7.263 ( 13.762 4.013 -15.194) 20.889 7.487 ( -2.627 -15.716 -19.383) 25.092 8.855 ( 4.656 -0.014 -15.303) 15.996 9.001 ( 8.421 -0.665 -14.552) 16.826 9.254 ( 1.431 -5.585 -16.220) 17.215 9.626 ( 12.258 -10.432 -18.206) 24.301 10.289 ( -2.205 1.360 -16.173) 16.380 10.656 ( -6.576 -6.421 -0.014) 9.191 11.087 ( -6.763 -3.343 -17.404) 18.969 11.467 ( -7.773 -3.586 16.376) 18.478 11.549 ( -2.760 -5.108 8.309) 10.137 12.166 ( 2.023 4.943 11.488) 12.669 12.442 ( -4.510 -2.215 3.833) 6.319 12.757 ( -1.807 2.376 1.932) 3.557 12.886 ( -2.043 2.771 0.397) 3.466 13.085 ( 1.529 1.128 7.302) 7.545 13.141 ( -1.437 -1.070 6.053) 6.313 13.285 ( 1.637 -0.398 3.286) 3.693 13.448 ( 1.609 -3.346 2.274) 4.354 13.621 ( -0.847 -0.713 4.343) 4.482 13.848 ( 4.738 -3.409 4.659) 7.469 14.406 ( -1.609 -1.926 13.958) 14.182 14.601 ( -8.179 -1.887 2.281) 8.699 14.861 ( -0.036 1.440 6.992) 7.139 15.076 ( -8.664 4.635 13.149) 16.415 15.305 ( -6.836 4.881 7.425) 11.211 15.507 ( 2.404 10.560 9.071) 14.127 15.893 ( -0.525 0.650 3.383) 3.485 16.084 ( 14.592 -2.439 1.422) 14.863 17.136 ( -5.633 5.278 -12.533) 14.720 22.738 ( 1.049 0.233 2.652) 2.862 22.956 ( -0.893 1.038 4.028) 4.255 23.047 ( -2.749 -0.535 5.166) 5.876 23.286 ( -0.065 -1.793 8.528) 8.715 23.432 ( 5.957 1.208 1.570) 6.278 23.503 ( 7.701 -0.535 1.860) 7.941 23.831 ( -1.250 6.064 1.602) 6.395 25.111 ( -4.679 -3.203 -12.915) 14.104 ======================= Grid point 191 (68/150) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 13.271 17.346 19.359) 29.185 2.779 ( 13.704 17.355 17.721) 28.338 3.581 ( -4.109 -5.142 3.497) 7.453 4.043 ( 2.588 0.385 8.172) 8.581 4.217 ( 9.405 8.880 10.345) 16.562 4.546 ( -0.101 7.184 -5.453) 9.020 5.529 ( 4.166 -1.977 -5.628) 7.276 5.647 ( 0.052 -6.465 -4.241) 7.732 6.321 ( -3.800 -10.976 -11.858) 16.599 6.935 ( 0.114 0.214 -10.975) 10.978 7.341 ( 8.544 5.159 -22.670) 24.769 7.723 ( 16.748 -0.963 -22.072) 27.724 8.997 ( 8.907 0.001 -7.752) 11.808 9.125 ( 7.071 -3.060 -7.416) 10.694 9.491 ( 19.482 -1.452 -16.124) 25.330 9.851 ( 7.991 -7.566 -11.047) 15.593 10.236 ( -2.287 -5.188 -9.910) 11.417 10.515 ( -5.222 -3.319 -5.438) 8.238 10.941 ( -7.152 -4.072 -20.671) 22.249 11.205 ( -16.626 -9.579 7.683) 20.669 11.455 ( -8.494 0.199 7.672) 11.447 12.088 ( -14.761 6.766 6.945) 17.660 12.337 ( -1.298 -2.596 5.992) 6.659 12.677 ( -5.594 1.201 4.447) 7.247 12.918 ( 4.603 1.072 -1.648) 5.005 13.111 ( 0.058 -0.903 7.868) 7.920 13.134 ( 1.567 2.195 2.615) 3.756 13.308 ( 0.434 -1.085 2.641) 2.888 13.478 ( 2.258 -4.238 3.091) 5.711 13.612 ( -0.383 -3.676 4.718) 5.993 13.992 ( 8.980 -0.798 5.045) 10.331 14.358 ( -3.855 -2.052 14.394) 15.042 14.457 ( -4.766 -0.273 4.527) 6.579 14.742 ( -9.054 2.651 12.370) 15.557 14.943 ( -5.521 3.626 12.534) 14.168 15.188 ( -4.233 1.038 11.892) 12.665 15.597 ( 4.552 13.943 4.634) 15.382 15.874 ( -1.408 1.667 1.766) 2.807 16.345 ( 11.336 -2.283 -1.108) 11.617 17.000 ( -7.296 3.039 -10.282) 12.969 22.760 ( 1.194 -0.443 2.906) 3.173 22.933 ( -1.126 1.273 4.850) 5.139 23.029 ( 0.506 0.555 5.660) 5.710 23.274 ( -1.252 -2.536 10.123) 10.511 23.491 ( 2.665 2.526 3.604) 5.145 23.721 ( 5.102 3.397 -0.720) 6.172 23.845 ( 8.431 0.168 -2.096) 8.689 24.974 ( -8.933 -2.794 -11.943) 15.173 ======================= Grid point 192 (69/150) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 13.301 14.852 14.425) 24.609 3.062 ( 15.141 13.034 15.446) 25.253 3.471 ( -6.180 4.939 9.149) 12.095 3.856 ( -16.570 3.838 12.109) 20.878 4.461 ( 11.974 6.434 1.239) 13.649 4.615 ( 3.599 0.911 -9.910) 10.582 5.547 ( 1.515 0.719 -12.451) 12.564 5.719 ( 1.231 -4.164 -3.517) 5.588 6.322 ( 5.485 -15.842 -5.514) 17.648 6.775 ( -11.513 -10.850 -7.429) 17.477 7.653 ( 16.832 13.941 -29.617) 36.808 7.960 ( 5.521 4.840 -29.213) 30.122 9.196 ( 10.773 -1.745 1.182) 10.977 9.366 ( 16.284 -3.670 3.042) 16.967 9.795 ( -4.950 2.916 -4.514) 7.306 9.934 ( 12.195 -5.775 -4.049) 14.088 10.250 ( 4.300 -6.875 -11.742) 14.270 10.566 ( 11.711 -6.262 -11.107) 17.312 10.795 ( -11.576 -4.021 -11.071) 16.515 10.880 ( -9.005 -6.702 -7.831) 13.686 11.216 ( -14.032 -3.096 -2.401) 14.569 11.629 ( -28.196 5.258 -0.027) 28.682 12.374 ( 3.330 -2.010 7.426) 8.383 12.560 ( -5.745 -0.139 5.712) 8.102 13.001 ( 2.320 0.830 -0.178) 2.470 13.115 ( 0.635 -0.955 7.187) 7.278 13.183 ( 3.329 3.685 2.200) 5.431 13.308 ( -0.484 0.812 3.028) 3.172 13.533 ( 2.665 -5.096 3.077) 6.522 13.600 ( -0.816 -6.599 4.993) 8.316 14.172 ( 8.071 -0.541 7.156) 10.800 14.267 ( -3.447 0.823 14.741) 15.161 14.425 ( 0.071 -0.901 4.625) 4.713 14.582 ( -6.343 -0.535 15.081) 16.369 14.849 ( -3.443 4.709 12.368) 13.674 15.102 ( -4.255 0.951 13.042) 13.752 15.675 ( 3.251 12.800 2.495) 13.440 15.833 ( -2.613 6.575 2.158) 7.397 16.542 ( 8.564 -2.573 -3.575) 9.630 16.860 ( -6.622 -0.247 -7.705) 10.162 22.792 ( 1.999 0.667 3.671) 4.233 22.902 ( -2.112 1.798 5.192) 5.886 23.058 ( 2.080 -0.271 6.596) 6.922 23.238 ( -2.082 -2.861 10.247) 10.841 23.553 ( 3.494 3.214 2.524) 5.377 23.698 ( -3.116 4.797 1.278) 5.861 24.141 ( 16.554 -2.373 -6.610) 17.982 24.758 ( -12.468 -2.710 -10.345) 16.426 ======================= Grid point 193 (70/150) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -0.000 10.863 10.598) 15.176 3.268 ( -0.000 7.366 12.562) 14.563 3.476 ( -0.000 11.418 14.137) 18.172 3.529 ( 0.000 11.264 13.529) 17.604 4.619 ( -0.000 1.312 -6.164) 6.302 4.625 ( 0.000 0.392 -7.277) 7.288 5.585 ( 0.000 1.256 -11.344) 11.413 5.698 ( 0.000 -3.446 -7.363) 8.130 6.475 ( 0.000 -14.303 -4.182) 14.902 6.574 ( -0.000 -14.460 -4.409) 15.117 7.884 ( -0.000 12.365 -34.293) 36.454 7.959 ( 0.000 9.919 -30.348) 31.928 9.398 ( -0.000 -2.900 12.195) 12.535 9.473 ( 0.000 -6.274 2.640) 6.806 9.844 ( -0.000 4.762 2.748) 5.498 9.890 ( 0.000 -3.300 -2.192) 3.962 10.467 ( -0.000 -9.660 -9.422) 13.494 10.499 ( 0.000 -7.711 -16.548) 18.256 10.841 ( 0.000 -7.748 -10.610) 13.138 10.925 ( -0.000 -0.312 -8.821) 8.827 11.061 ( -0.000 -3.568 -6.494) 7.409 11.093 ( 0.000 4.775 -7.494) 8.886 12.444 ( -0.000 -0.490 8.591) 8.605 12.465 ( 0.000 -1.970 4.541) 4.949 13.018 ( 0.000 1.418 1.302) 1.925 13.121 ( 0.000 -0.315 7.238) 7.245 13.242 ( 0.000 2.186 -0.619) 2.272 13.289 ( -0.000 2.587 5.824) 6.372 13.566 ( 0.000 -4.466 1.567) 4.733 13.585 ( -0.000 -8.182 6.131) 10.224 14.223 ( 0.000 -0.007 17.797) 17.797 14.286 ( -0.000 2.760 5.929) 6.540 14.419 ( 0.000 -2.544 3.271) 4.144 14.513 ( 0.000 -3.544 16.311) 16.691 14.816 ( 0.000 5.827 11.972) 13.315 15.050 ( -0.000 1.183 13.051) 13.104 15.716 ( 0.000 10.091 0.826) 10.125 15.795 ( 0.000 11.410 3.968) 12.081 16.665 ( 0.000 -2.460 -6.263) 6.729 16.758 ( -0.000 -2.158 -4.995) 5.442 22.828 ( -0.000 1.985 4.195) 4.641 22.864 ( 0.000 1.300 5.023) 5.189 23.087 ( -0.000 -0.543 7.315) 7.335 23.210 ( 0.000 -3.068 9.852) 10.319 23.616 ( 0.000 3.852 1.901) 4.296 23.639 ( 0.000 3.965 1.662) 4.299 24.421 ( 0.000 -1.112 -9.740) 9.803 24.521 ( -0.000 -3.981 -7.531) 8.519 ======================= Grid point 198 (71/150) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 0.000 8.146 16.476) 18.380 2.793 ( 0.000 19.230 17.414) 25.943 3.309 ( 0.000 -18.000 0.044) 18.000 3.790 ( 0.000 -1.732 4.776) 5.080 4.126 ( 0.000 5.201 14.386) 15.297 4.805 ( 0.000 2.921 4.635) 5.478 5.095 ( 0.000 -6.172 11.469) 13.024 6.011 ( 0.000 0.836 -11.960) 11.989 6.340 ( 0.000 8.375 -17.466) 19.370 6.736 ( 0.000 -6.121 -10.931) 12.528 7.255 ( 0.000 -9.170 -16.794) 19.135 7.258 ( 0.000 7.844 -12.019) 14.352 8.827 ( 0.000 2.126 -17.267) 17.398 8.987 ( 0.000 6.728 -18.966) 20.124 9.167 ( 0.000 -6.614 -5.350) 8.507 9.234 ( 0.000 -8.279 -27.394) 28.618 10.413 ( 0.000 7.048 -18.198) 19.515 10.582 ( 0.000 -7.391 -18.324) 19.758 11.130 ( 0.000 1.463 -7.225) 7.371 11.273 ( 0.000 -12.646 0.880) 12.677 11.648 ( 0.000 3.735 25.962) 26.230 12.205 ( 0.000 1.683 11.906) 12.024 12.424 ( 0.000 -1.322 2.725) 3.029 12.829 ( 0.000 2.779 4.681) 5.443 12.903 ( 0.000 -3.340 8.211) 8.865 13.065 ( 0.000 0.236 8.209) 8.212 13.246 ( 0.000 5.520 2.209) 5.946 13.323 ( 0.000 1.776 1.345) 2.228 13.342 ( 0.000 -3.694 1.162) 3.873 13.646 ( 0.000 0.728 1.102) 1.320 13.710 ( 0.000 -3.051 4.214) 5.202 14.363 ( 0.000 -2.469 17.260) 17.436 14.734 ( 0.000 -0.252 -4.436) 4.443 14.759 ( 0.000 -0.337 13.402) 13.407 15.404 ( 0.000 4.090 14.666) 15.225 15.454 ( 0.000 6.312 3.757) 7.346 15.657 ( 0.000 1.376 10.068) 10.162 15.770 ( 0.000 -2.904 0.646) 2.975 15.903 ( 0.000 -0.524 6.265) 6.287 17.276 ( 0.000 1.851 -13.374) 13.501 22.746 ( 0.000 0.569 2.453) 2.518 22.988 ( 0.000 1.292 4.469) 4.652 23.055 ( 0.000 -2.091 5.786) 6.152 23.251 ( 0.000 -0.952 -3.067) 3.212 23.334 ( 0.000 1.092 8.602) 8.671 23.471 ( 0.000 0.202 5.235) 5.239 23.950 ( 0.000 2.884 3.283) 4.370 25.098 ( 0.000 -1.811 -13.239) 13.362 ======================= Grid point 199 (72/150) ======================= q-point: ( 0.12 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 8.867 9.301 16.072) 20.577 2.873 ( 8.253 17.568 16.514) 25.485 3.327 ( 2.001 -16.862 1.141) 17.019 3.899 ( 9.135 -1.338 5.294) 10.643 4.174 ( 4.889 4.040 11.783) 13.381 4.759 ( -4.245 3.705 2.447) 6.143 5.171 ( 7.232 -6.605 10.671) 14.484 5.866 ( -9.400 3.924 -10.605) 14.704 6.304 ( -6.199 -1.331 -14.459) 15.788 6.921 ( 14.451 5.457 -12.390) 19.802 7.161 ( -4.100 -11.303 -16.731) 20.603 7.433 ( 14.095 5.467 -16.080) 22.070 8.869 ( 4.254 1.675 -15.173) 15.847 9.047 ( 0.737 1.601 -11.729) 11.861 9.157 ( 9.511 -1.513 -14.557) 17.455 9.415 ( 12.232 -8.340 -21.091) 25.768 10.356 ( -6.039 5.103 -12.687) 14.949 10.536 ( -3.752 -5.760 -20.897) 21.999 11.060 ( -6.537 1.413 -8.533) 10.842 11.188 ( -7.979 -11.453 -0.813) 13.982 11.641 ( -1.846 3.390 23.851) 24.162 12.224 ( 1.480 1.072 11.463) 11.608 12.420 ( -2.088 -0.197 5.159) 5.569 12.806 ( -2.619 2.476 4.274) 5.591 12.880 ( -1.392 -2.446 4.234) 5.084 13.082 ( 1.217 -0.758 6.509) 6.665 13.193 ( -2.921 4.820 3.550) 6.661 13.293 ( -0.420 0.027 1.104) 1.182 13.374 ( 0.185 -3.360 0.621) 3.422 13.624 ( -2.040 0.477 1.322) 2.477 13.791 ( 7.434 -1.686 5.256) 9.260 14.355 ( -0.720 -1.925 17.161) 17.284 14.580 ( -7.564 -0.357 2.055) 7.847 14.886 ( 3.236 0.717 9.346) 9.916 15.151 ( -14.385 2.109 15.341) 21.135 15.358 ( -9.050 1.085 7.322) 11.691 15.718 ( 6.178 7.681 6.216) 11.653 15.881 ( -0.481 -1.916 3.051) 3.635 16.035 ( 15.218 -1.648 2.281) 15.476 17.208 ( -6.437 1.695 -12.427) 14.098 22.740 ( -0.182 0.021 2.948) 2.953 22.967 ( -1.747 0.110 4.426) 4.759 23.061 ( 0.975 1.297 6.117) 6.328 23.229 ( -1.286 -2.477 6.313) 6.902 23.469 ( 7.735 1.724 1.145) 8.007 23.494 ( 5.612 -0.615 2.841) 6.320 23.927 ( -2.156 2.662 3.061) 4.594 25.055 ( -4.257 -1.660 -13.094) 13.868 ======================= Grid point 200 (73/150) ======================= q-point: ( 0.25 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 10.789 11.062 14.503) 21.192 3.094 ( 11.980 13.743 14.125) 23.064 3.392 ( 4.438 -13.052 5.202) 14.735 4.048 ( 3.156 1.713 9.445) 10.104 4.317 ( 8.731 0.235 4.617) 9.879 4.663 ( -4.456 3.484 -5.593) 7.955 5.352 ( 9.637 -6.553 6.665) 13.425 5.755 ( -0.176 7.329 -6.715) 9.942 6.129 ( -9.655 -6.867 -9.466) 15.166 6.869 ( -12.311 -2.976 -12.016) 17.459 7.444 ( 23.363 2.126 -20.565) 31.197 7.760 ( 16.798 3.125 -23.776) 29.278 8.989 ( 7.403 -0.398 -9.924) 12.388 9.101 ( 6.825 0.077 -2.509) 7.272 9.475 ( 19.804 0.638 -11.252) 22.786 9.680 ( 13.479 -7.533 -19.220) 24.654 10.173 ( -11.346 -0.182 -3.517) 11.880 10.478 ( -1.140 -1.238 -23.893) 23.952 10.888 ( -10.545 -1.407 -7.243) 12.870 10.989 ( -10.485 -6.733 -9.171) 15.472 11.523 ( -10.721 2.808 16.630) 19.985 12.193 ( -13.478 2.785 9.229) 16.570 12.300 ( -2.038 -0.884 5.847) 6.255 12.708 ( -6.884 1.283 4.310) 8.223 12.911 ( 4.715 -1.175 -0.700) 4.910 13.085 ( -0.709 -1.121 4.047) 4.259 13.202 ( 3.290 4.246 3.048) 6.175 13.300 ( 0.928 -0.137 1.689) 1.932 13.373 ( 0.593 -4.927 3.130) 5.867 13.572 ( -2.881 -0.684 3.245) 4.393 13.969 ( 9.530 -0.905 7.463) 12.138 14.339 ( -0.749 -0.012 16.216) 16.233 14.458 ( -4.439 0.022 2.707) 5.200 14.748 ( -12.799 -0.675 18.239) 22.292 15.030 ( -1.540 3.258 12.702) 13.203 15.191 ( -7.035 -0.324 9.817) 12.082 15.816 ( 3.289 6.588 2.312) 7.718 15.884 ( 1.476 -0.759 2.421) 2.935 16.311 ( 11.859 -0.873 -1.046) 11.938 17.043 ( -9.438 1.005 -10.139) 13.888 22.753 ( 1.686 -0.192 4.016) 4.360 22.941 ( -0.737 -0.118 5.513) 5.563 23.078 ( 0.430 3.448 7.167) 7.965 23.199 ( -1.748 -3.962 9.014) 10.000 23.529 ( 3.039 0.970 3.296) 4.587 23.750 ( 12.377 0.353 -3.610) 12.897 23.882 ( -0.107 1.716 1.471) 2.263 24.928 ( -8.489 -1.325 -12.518) 15.183 ======================= Grid point 201 (74/150) ======================= q-point: ( 0.38 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 9.324 8.350 12.382) 17.607 3.291 ( 6.621 6.966 8.990) 13.160 3.511 ( 8.150 -1.269 13.298) 15.649 3.978 ( -9.471 6.551 13.929) 18.073 4.483 ( 7.003 -2.971 -4.318) 8.747 4.606 ( -1.454 -0.476 -12.984) 13.074 5.517 ( 7.086 -2.612 -0.127) 7.553 5.792 ( -2.766 8.680 -4.721) 10.261 6.038 ( 6.117 -11.167 -3.385) 13.175 6.596 ( -14.438 -5.029 -7.645) 17.093 7.867 ( 17.183 5.442 -29.258) 34.364 8.037 ( 9.412 2.605 -30.613) 32.133 9.155 ( 9.407 -1.553 -2.941) 9.978 9.320 ( 12.603 -0.809 7.702) 14.793 9.809 ( -0.692 -0.421 -0.065) 0.812 9.865 ( 9.044 -2.679 -8.579) 12.751 10.054 ( 6.979 -5.936 -12.526) 15.519 10.512 ( -0.284 -0.682 -12.864) 12.885 10.681 ( -1.601 -3.752 -9.679) 10.504 10.834 ( -4.034 -0.344 -19.068) 19.493 11.228 ( -16.993 1.650 3.495) 17.427 11.722 ( -29.280 2.727 0.437) 29.410 12.344 ( 3.846 -0.759 7.177) 8.178 12.564 ( -6.946 0.339 5.174) 8.668 13.011 ( 3.893 0.169 -0.527) 3.932 13.078 ( 0.190 -1.605 2.664) 3.116 13.269 ( 2.805 4.620 2.000) 5.763 13.322 ( 0.936 0.170 2.723) 2.884 13.409 ( 2.815 -5.646 5.923) 8.653 13.518 ( -2.450 -1.850 5.797) 6.560 14.149 ( 8.104 -0.775 13.697) 15.934 14.327 ( -0.460 3.535 12.264) 12.772 14.407 ( -0.916 -0.998 4.140) 4.356 14.518 ( -9.671 -3.551 19.173) 21.766 14.975 ( -3.136 5.956 11.467) 13.297 15.080 ( -4.342 -2.895 11.783) 12.887 15.866 ( 2.006 5.339 0.186) 5.706 15.922 ( 1.600 1.640 2.299) 3.246 16.512 ( 8.637 -0.441 -3.421) 9.300 16.854 ( -9.090 -0.303 -7.533) 11.809 22.806 ( 3.406 0.558 5.222) 6.259 22.926 ( -1.288 0.341 6.518) 6.653 23.080 ( 0.128 2.720 7.737) 8.202 23.161 ( -1.915 -4.193 9.423) 10.491 23.600 ( 3.937 1.150 2.589) 4.851 23.766 ( -3.884 1.660 2.019) 4.682 24.117 ( 16.416 -0.348 -7.228) 17.940 24.718 ( -12.352 -1.030 -11.324) 16.789 ======================= Grid point 202 (75/150) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -0.000 7.038 9.548) 11.862 3.347 ( 0.000 0.117 10.261) 10.262 3.722 ( -0.000 9.369 15.091) 17.762 3.745 ( 0.000 7.184 14.580) 16.254 4.571 ( -0.000 -3.161 -12.191) 12.594 4.581 ( 0.000 -3.518 -10.667) 11.232 5.656 ( -0.000 2.528 -3.359) 4.204 5.664 ( 0.000 -0.026 -3.094) 3.094 6.263 ( 0.000 -3.936 -3.792) 5.465 6.327 ( -0.000 -8.606 -3.558) 9.313 8.079 ( -0.000 5.697 -34.283) 34.753 8.101 ( 0.000 3.417 -32.844) 33.021 9.347 ( -0.000 -0.927 7.226) 7.285 9.375 ( 0.000 -3.258 3.641) 4.886 9.833 ( -0.000 -1.194 0.565) 1.321 9.868 ( 0.000 -2.909 3.811) 4.795 10.274 ( -0.000 -2.886 -11.911) 12.256 10.329 ( 0.000 -6.377 -13.141) 14.606 10.833 ( 0.000 2.964 -13.846) 14.160 10.899 ( -0.000 -2.771 -13.760) 14.036 11.102 ( -0.000 4.511 -5.241) 6.915 11.156 ( 0.000 0.238 -6.424) 6.429 12.437 ( -0.000 -0.128 6.876) 6.878 12.440 ( 0.000 -0.537 5.619) 5.644 13.046 ( 0.000 1.439 0.351) 1.481 13.085 ( 0.000 -2.270 1.872) 2.943 13.304 ( 0.000 3.059 0.256) 3.069 13.328 ( -0.000 0.946 4.274) 4.377 13.463 ( -0.000 -3.219 9.156) 9.706 13.473 ( 0.000 -3.756 4.630) 5.962 14.266 ( 0.000 3.789 24.044) 24.341 14.320 ( -0.000 0.162 12.590) 12.591 14.379 ( 0.000 -1.073 1.012) 1.475 14.411 ( 0.000 -4.903 13.007) 13.900 14.941 ( 0.000 5.584 10.944) 12.286 15.030 ( -0.000 -2.852 12.080) 12.412 15.888 ( 0.000 6.042 0.329) 6.050 15.938 ( 0.000 1.957 1.849) 2.692 16.653 ( 0.000 1.423 -5.812) 5.984 16.705 ( -0.000 -2.909 -4.940) 5.733 22.870 ( -0.000 1.784 5.969) 6.230 22.886 ( 0.000 0.382 6.605) 6.616 23.086 ( -0.000 0.955 7.995) 8.052 23.136 ( 0.000 -3.564 9.307) 9.965 23.676 ( 0.000 1.884 2.307) 2.979 23.689 ( -0.000 0.805 2.196) 2.339 24.422 ( 0.000 0.956 -10.029) 10.075 24.456 ( -0.000 -2.326 -9.139) 9.431 ======================= Grid point 243 (76/150) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 0.000 29.989) 29.989 2.063 ( 0.000 0.000 30.261) 30.261 3.470 ( 0.000 0.000 38.782) 38.782 3.741 ( 0.000 0.000 -7.334) 7.334 3.876 ( 0.000 0.000 -9.842) 9.842 4.404 ( 0.000 0.000 -0.351) 0.351 5.214 ( 0.000 0.000 -7.985) 7.985 5.861 ( 0.000 0.000 -25.591) 25.591 6.011 ( 0.000 0.000 -19.056) 19.056 6.494 ( 0.000 0.000 0.329) 0.329 6.756 ( 0.000 0.000 -26.184) 26.184 7.501 ( 0.000 0.000 -25.957) 25.957 8.919 ( 0.000 0.000 -5.290) 5.290 9.445 ( 0.000 0.000 3.083) 3.083 9.621 ( 0.000 0.000 -9.726) 9.726 9.624 ( 0.000 0.000 3.364) 3.364 9.747 ( 0.000 0.000 -14.631) 14.631 10.854 ( 0.000 0.000 -23.707) 23.707 11.481 ( 0.000 0.000 3.293) 3.293 11.503 ( 0.000 0.000 7.444) 7.444 11.683 ( 0.000 0.000 15.837) 15.837 12.308 ( 0.000 0.000 5.270) 5.270 12.596 ( 0.000 0.000 1.430) 1.430 12.684 ( 0.000 0.000 -0.034) 0.034 12.702 ( 0.000 0.000 2.815) 2.815 12.882 ( 0.000 0.000 -0.752) 0.752 13.474 ( 0.000 0.000 0.535) 0.535 13.621 ( 0.000 0.000 -1.859) 1.859 13.670 ( 0.000 0.000 1.922) 1.922 13.692 ( 0.000 0.000 6.344) 6.344 14.152 ( 0.000 0.000 1.199) 1.199 14.493 ( 0.000 0.000 -2.562) 2.562 14.710 ( 0.000 0.000 11.719) 11.719 14.873 ( 0.000 0.000 7.834) 7.834 15.067 ( 0.000 0.000 13.549) 13.549 15.299 ( 0.000 0.000 1.984) 1.984 15.544 ( 0.000 0.000 -1.955) 1.955 15.842 ( 0.000 0.000 -1.609) 1.609 15.921 ( 0.000 0.000 16.759) 16.759 16.744 ( 0.000 0.000 -0.197) 0.197 22.754 ( 0.000 0.000 4.763) 4.763 22.961 ( 0.000 0.000 3.546) 3.546 23.275 ( 0.000 0.000 -6.155) 6.155 23.291 ( 0.000 0.000 -3.370) 3.370 23.308 ( 0.000 0.000 3.065) 3.065 23.549 ( 0.000 0.000 -1.054) 1.054 23.735 ( 0.000 0.000 14.798) 14.798 24.977 ( 0.000 0.000 -11.425) 11.425 ======================= Grid point 244 (77/150) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 11.904 0.000 28.058) 30.479 2.291 ( 18.499 0.000 27.853) 33.437 3.518 ( 6.490 0.000 35.964) 36.544 3.823 ( 5.222 0.000 -6.190) 8.099 3.879 ( 0.230 0.000 -7.143) 7.147 4.338 ( -3.407 0.000 1.022) 3.557 5.339 ( 10.786 0.000 -10.259) 14.886 5.849 ( 0.162 0.000 -25.605) 25.606 5.929 ( -7.179 0.000 -18.004) 19.383 6.632 ( 11.803 0.000 0.316) 11.808 6.775 ( 0.695 0.000 -26.805) 26.814 7.452 ( -5.005 0.000 -24.452) 24.959 8.940 ( 5.245 0.000 -7.927) 9.505 9.200 ( -18.436 0.000 -4.405) 18.955 9.587 ( 8.371 0.000 2.015) 8.610 9.749 ( 3.599 0.000 -11.212) 11.776 9.995 ( 13.186 0.000 0.445) 13.193 10.779 ( -5.210 0.000 -20.882) 21.522 11.408 ( -6.258 0.000 9.169) 11.101 11.442 ( -4.713 0.000 3.171) 5.680 11.841 ( 10.602 0.000 6.944) 12.674 12.252 ( -6.144 0.000 3.717) 7.181 12.595 ( -5.138 0.000 0.593) 5.172 12.609 ( 1.292 0.000 2.872) 3.150 12.710 ( 1.216 0.000 2.075) 2.405 12.988 ( 7.421 0.000 -0.396) 7.431 13.354 ( -9.085 0.000 1.238) 9.168 13.479 ( -8.937 0.000 3.102) 9.460 13.746 ( 5.078 0.000 1.791) 5.385 13.781 ( 3.842 0.000 1.897) 4.285 14.184 ( 2.885 0.000 0.377) 2.910 14.439 ( -4.739 0.000 -0.576) 4.774 14.634 ( -4.814 0.000 10.350) 11.415 14.823 ( -5.597 0.000 7.238) 9.150 15.083 ( 0.717 0.000 13.821) 13.840 15.131 ( -11.690 0.000 3.658) 12.249 15.609 ( 4.348 0.000 0.285) 4.358 15.780 ( -3.552 0.000 14.257) 14.693 16.130 ( 14.313 0.000 1.017) 14.349 16.729 ( -0.980 0.000 -2.066) 2.287 22.762 ( 0.861 0.000 3.340) 3.449 22.975 ( 1.100 0.000 3.522) 3.690 23.125 ( -8.314 0.000 -3.331) 8.957 23.317 ( -0.941 0.000 -3.481) 3.606 23.344 ( 3.296 0.000 3.782) 5.017 23.676 ( 5.113 0.000 1.444) 5.312 23.751 ( 6.183 0.000 9.447) 11.291 24.947 ( -2.998 0.000 -11.180) 11.574 ======================= Grid point 245 (78/150) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 20.397 0.000 23.445) 31.076 2.626 ( 13.482 0.000 29.906) 32.805 3.746 ( 8.764 0.000 8.216) 12.013 3.774 ( -10.649 0.000 2.884) 11.033 3.912 ( 9.021 0.000 14.242) 16.859 4.415 ( 10.011 0.000 -1.947) 10.199 5.558 ( 8.834 0.000 -17.596) 19.689 5.773 ( -7.255 0.000 -16.806) 18.305 5.937 ( 10.383 0.000 -22.497) 24.777 6.752 ( -2.791 0.000 -25.765) 25.916 6.854 ( 7.559 0.000 -1.793) 7.769 7.299 ( -10.083 0.000 -23.949) 25.986 8.975 ( -1.913 0.000 -1.226) 2.272 9.196 ( 19.350 0.000 -8.490) 21.131 9.618 ( -0.649 0.000 -14.718) 14.732 9.984 ( 14.814 0.000 7.722) 16.706 10.075 ( -4.633 0.000 -1.446) 4.853 10.744 ( 1.882 0.000 -13.052) 13.187 11.265 ( -13.140 0.000 3.593) 13.622 11.269 ( -8.238 0.000 9.008) 12.207 11.978 ( 0.949 0.000 -5.857) 5.934 12.067 ( -10.936 0.000 -0.481) 10.947 12.539 ( -0.658 0.000 2.617) 2.698 12.663 ( 4.061 0.000 4.872) 6.343 12.760 ( 4.107 0.000 1.284) 4.303 13.118 ( 4.645 0.000 0.472) 4.669 13.175 ( -7.495 0.000 3.262) 8.174 13.313 ( -7.010 0.000 3.703) 7.928 13.826 ( 1.119 0.000 0.998) 1.499 13.834 ( 3.448 0.000 1.533) 3.773 14.250 ( 3.348 0.000 -0.699) 3.420 14.356 ( -2.622 0.000 1.875) 3.223 14.574 ( -1.172 0.000 8.396) 8.477 14.652 ( -9.433 0.000 6.181) 11.278 14.960 ( -5.564 0.000 7.789) 9.572 15.063 ( -3.388 0.000 11.427) 11.918 15.651 ( -0.370 0.000 8.255) 8.263 15.701 ( -4.055 0.000 17.906) 18.359 16.403 ( 12.257 0.000 -3.176) 12.662 16.725 ( 0.584 0.000 -5.961) 5.990 22.789 ( 1.745 0.000 1.552) 2.336 22.982 ( -5.758 0.000 -1.564) 5.967 22.999 ( 1.423 0.000 2.699) 3.051 23.275 ( -3.061 0.000 -2.633) 4.038 23.423 ( 4.234 0.000 5.521) 6.957 23.668 ( -2.069 0.000 10.927) 11.121 24.001 ( 14.275 0.000 -3.105) 14.609 24.860 ( -5.655 0.000 -10.476) 11.905 ======================= Grid point 246 (79/150) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 23.526 0.000 17.655) 29.414 2.874 ( 12.848 0.000 29.014) 31.731 3.492 ( -15.909 0.000 12.747) 20.386 3.659 ( -12.041 0.000 2.198) 12.240 4.292 ( 19.780 0.000 14.334) 24.428 4.590 ( 5.118 0.000 -2.208) 5.574 5.664 ( 2.469 0.000 -22.823) 22.957 5.677 ( -1.971 0.000 -17.877) 17.985 6.254 ( 19.173 0.000 -20.251) 27.887 6.693 ( -2.384 0.000 -24.060) 24.178 6.885 ( -3.331 0.000 -7.343) 8.063 7.058 ( -13.651 0.000 -21.077) 25.112 9.140 ( 15.869 0.000 3.685) 16.291 9.479 ( 2.186 0.000 -11.495) 11.701 9.765 ( 17.648 0.000 -11.228) 20.917 9.932 ( -6.458 0.000 -7.035) 9.550 10.253 ( 12.611 0.000 13.414) 18.411 10.778 ( 0.072 0.000 -5.909) 5.909 10.956 ( -15.054 0.000 2.002) 15.186 11.044 ( -15.406 0.000 9.709) 18.210 11.879 ( -6.748 0.000 -5.641) 8.796 11.895 ( -6.485 0.000 -12.888) 14.427 12.552 ( 1.783 0.000 4.636) 4.967 12.684 ( -2.612 0.000 4.385) 5.104 12.901 ( 8.424 0.000 -0.477) 8.438 13.107 ( 1.124 0.000 5.832) 5.940 13.130 ( -3.442 0.000 1.735) 3.854 13.228 ( -1.792 0.000 1.997) 2.683 13.846 ( 1.149 0.000 0.318) 1.193 13.876 ( 0.738 0.000 0.490) 0.886 14.309 ( 2.275 0.000 -0.059) 2.276 14.334 ( -0.128 0.000 1.608) 1.613 14.534 ( -1.202 0.000 7.167) 7.267 14.581 ( 1.467 0.000 7.782) 7.920 14.869 ( -3.938 0.000 8.451) 9.323 14.942 ( -7.991 0.000 8.915) 11.972 15.623 ( -1.644 0.000 15.925) 16.010 15.632 ( -2.583 0.000 19.557) 19.727 16.604 ( 7.720 0.000 -5.384) 9.412 16.738 ( 0.167 0.000 -7.686) 7.688 22.823 ( 1.499 0.000 1.110) 1.865 22.895 ( -3.092 0.000 -0.121) 3.094 23.040 ( 2.861 0.000 0.987) 3.027 23.201 ( -4.256 0.000 -1.740) 4.598 23.503 ( 3.631 0.000 7.382) 8.227 23.621 ( -2.499 0.000 10.244) 10.544 24.280 ( 13.381 0.000 -5.596) 14.504 24.720 ( -8.327 0.000 -9.265) 12.457 ======================= Grid point 247 (80/150) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -11.609 0.000 21.084) 24.068 3.154 ( 11.609 0.000 21.084) 24.068 3.329 ( -18.564 0.000 11.530) 21.853 3.329 ( 18.564 0.000 11.530) 21.853 4.572 ( -7.299 0.000 3.311) 8.014 4.572 ( 7.299 0.000 3.311) 8.014 5.676 ( -0.038 0.000 -20.653) 20.653 5.676 ( 0.038 0.000 -20.653) 20.653 6.602 ( -7.594 0.000 -25.872) 26.963 6.602 ( 7.594 0.000 -25.872) 26.963 6.837 ( -1.441 0.000 -10.798) 10.893 6.837 ( 1.441 0.000 -10.798) 10.893 9.422 ( -8.192 0.000 -3.803) 9.031 9.422 ( 8.192 0.000 -3.803) 9.031 9.907 ( -1.742 0.000 -4.532) 4.855 9.907 ( 1.742 0.000 -4.532) 4.855 10.614 ( -22.205 0.000 5.772) 22.943 10.614 ( 22.205 0.000 5.772) 22.943 10.793 ( -0.027 0.000 0.803) 0.804 10.793 ( 0.027 0.000 0.803) 0.804 11.816 ( -0.039 0.000 -10.880) 10.880 11.816 ( 0.039 0.000 -10.880) 10.880 12.609 ( -1.485 0.000 5.489) 5.686 12.609 ( 1.485 0.000 5.489) 5.686 13.038 ( -2.209 0.000 -0.633) 2.298 13.038 ( 2.209 0.000 -0.633) 2.298 13.175 ( -3.060 0.000 4.237) 5.227 13.175 ( 3.060 0.000 4.237) 5.227 13.870 ( -0.120 0.000 -0.126) 0.174 13.870 ( 0.120 0.000 -0.126) 0.174 14.332 ( -0.008 0.000 0.700) 0.700 14.332 ( 0.008 0.000 0.700) 0.700 14.581 ( -1.832 0.000 7.914) 8.123 14.581 ( 1.832 0.000 7.914) 8.123 14.824 ( -0.309 0.000 8.133) 8.139 14.824 ( 0.309 0.000 8.133) 8.139 15.605 ( -0.004 0.000 19.382) 19.382 15.605 ( 0.004 0.000 19.382) 19.382 16.712 ( -3.073 0.000 -7.009) 7.653 16.712 ( 3.073 0.000 -7.009) 7.653 22.851 ( -0.671 0.000 0.839) 1.075 22.851 ( 0.671 0.000 0.839) 1.075 23.113 ( -2.486 0.000 -0.628) 2.565 23.113 ( 2.486 0.000 -0.628) 2.565 23.568 ( -2.806 0.000 8.946) 9.376 23.568 ( 2.806 0.000 8.946) 9.376 24.526 ( -10.028 0.000 -7.583) 12.572 24.526 ( 10.028 0.000 -7.583) 12.572 ======================= Grid point 252 (81/150) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 9.978 28.489) 30.186 2.264 ( 0.000 24.513 26.280) 35.938 3.493 ( 0.000 3.749 38.601) 38.782 3.766 ( 0.000 2.267 -6.532) 6.914 3.950 ( 0.000 4.793 -7.759) 9.120 4.428 ( 0.000 3.614 -1.227) 3.816 5.263 ( 0.000 4.631 -7.937) 9.189 5.755 ( 0.000 -5.834 -21.198) 21.986 6.148 ( 0.000 9.429 -19.848) 21.974 6.336 ( 0.000 -12.780 -1.436) 12.860 6.795 ( 0.000 1.353 -22.181) 22.222 7.464 ( 0.000 -3.610 -26.575) 26.819 8.866 ( 0.000 -5.087 -7.143) 8.769 9.126 ( 0.000 -20.342 5.338) 21.031 9.362 ( 0.000 -15.134 -11.730) 19.147 9.646 ( 0.000 -6.040 -4.953) 7.811 9.882 ( 0.000 4.719 -13.643) 14.437 10.820 ( 0.000 -3.401 -25.012) 25.242 11.441 ( 0.000 6.655 12.535) 14.193 11.566 ( 0.000 -9.981 16.611) 19.379 11.800 ( 0.000 16.222 2.893) 16.478 12.223 ( 0.000 -8.080 3.432) 8.779 12.641 ( 0.000 3.986 1.277) 4.185 12.698 ( 0.000 1.866 -0.019) 1.866 12.711 ( 0.000 0.082 3.882) 3.883 12.919 ( 0.000 3.277 -1.137) 3.468 13.426 ( 0.000 -3.430 3.736) 5.072 13.600 ( 0.000 -5.947 3.803) 7.060 13.653 ( 0.000 2.063 -1.876) 2.789 13.675 ( 0.000 -2.218 5.138) 5.596 14.094 ( 0.000 -4.335 2.958) 5.248 14.547 ( 0.000 3.768 -5.324) 6.522 14.719 ( 0.000 1.579 13.504) 13.596 14.939 ( 0.000 5.137 9.025) 10.385 15.105 ( 0.000 3.830 13.653) 14.180 15.240 ( 0.000 -3.266 2.552) 4.145 15.634 ( 0.000 5.519 -3.333) 6.448 15.847 ( 0.000 0.440 -1.550) 1.612 15.949 ( 0.000 3.038 16.131) 16.415 16.769 ( 0.000 2.530 -2.081) 3.276 22.759 ( 0.000 0.480 4.646) 4.671 22.979 ( 0.000 1.500 3.755) 4.044 23.235 ( 0.000 -1.170 0.717) 1.372 23.264 ( 0.000 -0.967 -5.949) 6.027 23.410 ( 0.000 3.293 0.592) 3.346 23.544 ( 0.000 2.015 -0.644) 2.115 23.724 ( 0.000 -0.978 14.799) 14.831 24.972 ( 0.000 -0.696 -12.525) 12.544 ======================= Grid point 253 (82/150) ======================= q-point: ( 0.12 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 9.210 13.592 26.934) 31.544 2.447 ( 14.415 14.694 26.572) 33.612 3.567 ( 8.594 5.745 33.664) 35.215 3.830 ( 2.749 0.640 -3.334) 4.368 3.961 ( 2.404 6.114 -7.491) 9.964 4.372 ( -3.591 3.951 0.708) 5.386 5.323 ( 4.426 -1.103 -10.274) 11.241 5.782 ( 3.649 -3.130 -21.164) 21.703 6.049 ( -6.833 8.115 -17.693) 20.630 6.474 ( 10.472 -11.243 -3.044) 15.663 6.846 ( 3.798 3.257 -23.228) 23.761 7.410 ( -5.224 -4.139 -24.656) 25.541 8.905 ( 6.268 -3.484 -9.595) 11.979 9.036 ( -10.024 -12.480 -3.228) 16.329 9.384 ( 9.441 -15.473 0.888) 18.147 9.732 ( 1.989 -2.201 -10.974) 11.367 10.025 ( 12.584 -1.818 -7.110) 14.568 10.743 ( -6.543 -2.999 -22.696) 23.810 11.331 ( -8.018 -2.229 12.281) 14.835 11.536 ( -4.153 2.083 10.328) 11.325 11.910 ( 6.321 8.296 3.310) 10.942 12.154 ( -6.724 -8.541 3.023) 11.283 12.562 ( -4.554 -0.028 1.437) 4.775 12.665 ( -1.246 1.743 0.757) 2.272 12.766 ( 3.304 4.385 2.802) 6.164 13.002 ( 6.049 1.519 -0.688) 6.274 13.318 ( -7.816 -2.239 4.995) 9.542 13.510 ( -7.548 1.270 1.804) 7.864 13.684 ( 4.192 -4.883 2.861) 7.043 13.768 ( 4.642 -1.618 1.734) 5.213 14.113 ( 1.664 -4.919 3.271) 6.137 14.478 ( -4.918 2.653 -1.503) 5.787 14.719 ( -1.080 5.253 8.096) 9.711 14.881 ( -4.366 7.251 8.871) 12.261 15.060 ( -12.801 -4.221 4.918) 14.349 15.140 ( 1.189 4.321 13.399) 14.128 15.657 ( 1.921 1.608 1.729) 3.044 15.814 ( -2.346 4.092 10.602) 11.604 16.137 ( 13.583 0.681 1.401) 13.672 16.745 ( -1.870 1.751 -3.400) 4.257 22.768 ( 0.940 0.650 3.339) 3.529 22.987 ( 0.204 0.985 3.646) 3.782 23.121 ( -6.337 -0.416 -2.200) 6.721 23.293 ( 1.786 0.670 0.783) 2.062 23.454 ( 1.004 7.011 -0.364) 7.092 23.649 ( 7.525 -2.456 -0.889) 7.965 23.726 ( 2.661 -1.871 12.699) 13.109 24.938 ( -3.335 -0.982 -12.166) 12.653 ======================= Grid point 254 (83/150) ======================= q-point: ( 0.25 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 16.789 10.481 23.821) 30.970 2.720 ( 12.406 8.387 29.239) 32.851 3.727 ( -5.905 -0.146 3.258) 6.745 3.881 ( 10.629 7.769 15.153) 20.073 4.002 ( 2.637 8.853 3.619) 9.921 4.404 ( 7.404 -0.970 0.101) 7.468 5.388 ( 2.112 -9.713 -14.510) 17.588 5.832 ( -3.304 -2.892 -19.039) 19.538 6.040 ( 11.027 12.852 -19.104) 25.529 6.654 ( 5.958 -8.579 -10.532) 14.833 6.902 ( 1.040 3.711 -17.324) 17.748 7.268 ( -8.632 -3.237 -24.305) 25.995 8.924 ( 2.756 -3.757 -2.628) 5.350 9.184 ( 19.433 -1.062 -9.997) 21.880 9.577 ( 7.195 -7.732 -2.919) 10.958 9.796 ( 6.608 -7.148 -4.675) 10.799 10.187 ( 0.498 2.579 -4.034) 4.814 10.656 ( 0.419 -7.775 -15.693) 17.519 11.169 ( -8.193 -5.855 7.194) 12.376 11.360 ( -13.883 4.388 9.489) 17.379 11.879 ( -10.019 -6.932 -4.497) 12.987 11.996 ( -8.863 -5.580 1.204) 10.542 12.531 ( 0.683 -0.191 1.907) 2.034 12.688 ( 4.182 1.466 2.451) 5.064 12.825 ( 2.493 4.637 2.318) 5.752 13.093 ( 1.405 -1.119 0.937) 2.027 13.192 ( -2.644 1.394 5.044) 5.863 13.366 ( -6.301 3.456 2.625) 7.651 13.740 ( 1.564 -4.924 2.437) 5.713 13.853 ( 3.483 -1.705 0.210) 3.884 14.158 ( 3.031 -4.514 4.014) 6.759 14.412 ( -1.338 2.656 0.149) 2.978 14.645 ( -6.324 3.333 5.946) 9.298 14.751 ( -6.672 9.485 5.129) 12.681 14.904 ( -2.427 -0.740 10.157) 10.469 15.133 ( -2.447 4.762 12.356) 13.466 15.662 ( -1.600 -0.293 12.426) 12.532 15.760 ( -3.138 5.629 11.066) 12.806 16.394 ( 11.454 -0.856 -2.886) 11.843 16.720 ( -0.334 -0.064 -6.560) 6.568 22.794 ( 1.409 0.512 1.776) 2.325 22.955 ( -3.154 -0.530 0.719) 3.278 23.056 ( -0.030 3.208 1.718) 3.639 23.313 ( -0.471 3.158 -0.027) 3.193 23.473 ( 1.619 4.867 3.115) 6.001 23.661 ( -1.808 -0.597 10.705) 10.873 23.946 ( 14.052 -4.862 -2.535) 15.084 24.843 ( -6.157 -1.722 -11.204) 12.900 ======================= Grid point 255 (84/150) ======================= q-point: ( 0.38 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 15.650 4.361 24.032) 29.008 3.005 ( 17.925 8.829 22.214) 29.878 3.501 ( -13.747 1.716 12.112) 18.402 3.767 ( -13.774 8.940 3.673) 16.826 4.320 ( 17.111 2.670 11.551) 20.817 4.552 ( 4.955 -3.145 -1.513) 6.061 5.433 ( 2.854 -11.291 -17.652) 21.148 5.746 ( -3.960 -2.290 -16.264) 16.895 6.355 ( 17.351 9.739 -24.968) 31.927 6.718 ( 1.615 -2.027 -19.361) 19.534 6.867 ( -3.816 1.074 -8.661) 9.525 7.076 ( -10.617 1.720 -23.137) 25.515 9.150 ( 17.664 1.229 1.891) 17.808 9.478 ( 4.365 -0.403 -11.032) 11.871 9.799 ( 17.001 2.937 -10.954) 20.436 9.927 ( 1.480 -3.753 -1.222) 4.215 10.158 ( 5.741 -4.921 3.787) 8.457 10.712 ( 2.380 -7.858 -6.240) 10.312 10.956 ( -15.829 0.701 2.204) 15.997 11.035 ( -15.284 -1.365 9.544) 18.071 11.654 ( -9.553 -15.036 -10.357) 20.606 11.778 ( -11.030 -12.559 -3.980) 17.182 12.551 ( 1.324 0.417 1.626) 2.138 12.733 ( -1.575 1.695 7.869) 8.202 12.905 ( 5.306 1.338 -1.752) 5.746 13.098 ( 1.792 0.824 3.453) 3.976 13.192 ( 0.111 2.931 4.548) 5.412 13.271 ( -3.345 3.833 2.016) 5.472 13.762 ( 0.787 -4.424 1.835) 4.853 13.897 ( 1.003 -2.250 -1.696) 2.991 14.227 ( 3.150 -1.852 3.801) 5.273 14.407 ( 0.270 1.395 0.427) 1.484 14.550 ( -1.207 2.591 8.305) 8.783 14.673 ( -2.096 4.983 5.938) 8.030 14.875 ( -0.868 5.872 8.442) 10.320 15.040 ( -6.411 6.229 9.590) 13.110 15.622 ( -1.714 0.496 17.081) 17.174 15.694 ( -2.989 4.908 15.749) 16.765 16.583 ( 7.299 -2.042 -5.204) 9.194 16.720 ( -0.233 -1.400 -8.004) 8.128 22.818 ( 0.952 0.002 1.514) 1.788 22.900 ( -2.078 0.671 0.770) 2.316 23.084 ( 2.332 3.685 1.668) 4.669 23.272 ( -3.078 5.933 -0.622) 6.713 23.520 ( 2.763 1.853 6.311) 7.134 23.621 ( -2.165 -0.025 9.833) 10.068 24.225 ( 13.385 -4.974 -5.452) 15.285 24.694 ( -8.647 -2.535 -9.712) 13.248 ======================= Grid point 256 (85/150) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 0.000 0.685 21.231) 21.242 3.240 ( -0.000 5.005 18.389) 19.058 3.422 ( -0.000 8.439 14.027) 16.370 3.427 ( 0.000 7.584 12.098) 14.278 4.540 ( -0.000 -1.909 1.191) 2.250 4.564 ( 0.000 -1.208 2.864) 3.108 5.478 ( -0.000 -10.494 -19.988) 22.575 5.696 ( 0.000 -3.929 -13.630) 14.185 6.600 ( 0.000 6.385 -34.749) 35.331 6.722 ( 0.000 -2.955 -22.388) 22.583 6.864 ( 0.000 11.385 -13.664) 17.785 6.872 ( -0.000 -0.324 -6.547) 6.555 9.451 ( 0.000 2.983 -2.600) 3.957 9.454 ( -0.000 2.334 -6.696) 7.091 9.870 ( 0.000 -2.502 -2.788) 3.746 9.969 ( -0.000 3.485 -4.700) 5.851 10.517 ( -0.000 -8.408 4.140) 9.372 10.585 ( 0.000 -3.533 6.843) 7.701 10.739 ( 0.000 -0.558 -1.718) 1.807 10.815 ( -0.000 -0.294 -0.970) 1.013 11.571 ( -0.000 -17.390 -10.759) 20.449 11.643 ( 0.000 -18.294 -7.134) 19.636 12.572 ( 0.000 0.120 0.421) 0.438 12.699 ( -0.000 2.529 11.190) 11.472 12.961 ( 0.000 -1.043 -3.104) 3.275 13.143 ( 0.000 1.632 2.575) 3.049 13.198 ( 0.000 5.212 4.188) 6.686 13.219 ( -0.000 2.584 3.299) 4.190 13.771 ( 0.000 -4.266 1.461) 4.509 13.904 ( 0.000 -2.519 -2.287) 3.403 14.260 ( 0.000 -0.478 3.153) 3.189 14.407 ( 0.000 0.586 0.462) 0.746 14.583 ( -0.000 3.047 8.806) 9.319 14.629 ( 0.000 1.763 7.714) 7.913 14.889 ( 0.000 9.308 6.529) 11.370 14.933 ( -0.000 6.816 8.670) 11.028 15.605 ( 0.000 1.103 17.582) 17.616 15.661 ( -0.000 4.116 18.833) 19.277 16.679 ( 0.000 -2.870 -6.975) 7.542 16.697 ( -0.000 -1.367 -7.192) 7.321 22.829 ( 0.000 -0.078 1.567) 1.569 22.877 ( 0.000 1.012 1.242) 1.602 23.121 ( 0.000 3.170 1.040) 3.336 23.227 ( -0.000 7.196 -0.428) 7.209 23.569 ( -0.000 0.659 7.686) 7.714 23.580 ( 0.000 0.701 8.823) 8.851 24.434 ( 0.000 -5.955 -7.512) 9.586 24.534 ( -0.000 -1.836 -7.985) 8.193 ======================= Grid point 261 (86/150) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 0.000 15.539 24.642) 29.132 2.721 ( 0.000 16.325 28.692) 33.011 3.705 ( 0.000 15.758 26.282) 30.644 3.821 ( 0.000 2.688 -4.172) 4.963 3.962 ( 0.000 -2.951 0.220) 2.959 4.596 ( 0.000 11.003 -2.444) 11.272 5.397 ( 0.000 7.776 -6.725) 10.280 5.682 ( 0.000 -0.553 -14.712) 14.722 6.030 ( 0.000 -15.494 -0.355) 15.498 6.374 ( 0.000 12.699 -18.493) 22.433 6.765 ( 0.000 -4.421 -19.291) 19.791 7.340 ( 0.000 -8.711 -26.174) 27.585 8.714 ( 0.000 -8.804 -9.349) 12.842 8.756 ( 0.000 -13.660 1.409) 13.732 9.114 ( 0.000 -7.683 -14.322) 16.253 9.397 ( 0.000 -15.435 -11.470) 19.230 9.919 ( 0.000 -0.364 -15.001) 15.005 10.698 ( 0.000 -8.928 -26.435) 27.902 11.336 ( 0.000 -10.805 16.480) 19.707 11.684 ( 0.000 13.942 16.663) 21.726 11.987 ( 0.000 -14.466 0.803) 14.488 12.097 ( 0.000 11.753 3.386) 12.231 12.670 ( 0.000 -3.846 5.597) 6.791 12.711 ( 0.000 3.224 1.221) 3.447 12.814 ( 0.000 8.759 0.469) 8.771 13.009 ( 0.000 4.920 -2.045) 5.328 13.368 ( 0.000 -1.828 6.610) 6.858 13.449 ( 0.000 -7.915 5.660) 9.731 13.604 ( 0.000 -4.436 4.828) 6.556 13.675 ( 0.000 -0.242 -1.323) 1.345 14.001 ( 0.000 -4.554 4.734) 6.568 14.605 ( 0.000 1.579 -7.446) 7.612 14.773 ( 0.000 2.528 17.418) 17.601 15.001 ( 0.000 0.058 8.823) 8.823 15.226 ( 0.000 7.608 11.772) 14.017 15.268 ( 0.000 7.102 4.361) 8.334 15.715 ( 0.000 2.929 0.906) 3.066 15.852 ( 0.000 -0.189 -1.270) 1.284 16.035 ( 0.000 4.219 12.655) 13.340 16.849 ( 0.000 4.924 -6.655) 8.278 22.773 ( 0.000 0.849 4.324) 4.406 23.012 ( 0.000 1.485 3.930) 4.201 23.233 ( 0.000 -0.118 1.499) 1.504 23.237 ( 0.000 -1.621 -5.398) 5.636 23.406 ( 0.000 -0.509 4.397) 4.426 23.680 ( 0.000 6.588 -0.155) 6.590 23.702 ( 0.000 1.199 13.477) 13.530 24.939 ( 0.000 -2.645 -14.090) 14.337 ======================= Grid point 262 (87/150) ======================= q-point: ( 0.12 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 10.429 15.809 24.133) 30.678 2.773 ( 5.232 13.916 29.192) 32.760 3.767 ( 3.844 7.245 11.419) 14.060 3.861 ( 4.283 6.814 10.850) 13.509 4.041 ( 8.721 1.471 -3.134) 9.383 4.528 ( -6.477 9.970 -0.057) 11.889 5.330 ( -4.827 2.920 -8.720) 10.386 5.728 ( 2.875 -2.960 -11.707) 12.413 6.152 ( 10.113 -5.429 -6.817) 13.350 6.327 ( -1.208 5.631 -13.065) 14.278 6.875 ( 8.056 -0.154 -23.421) 24.769 7.272 ( -6.018 -9.285 -23.861) 26.301 8.752 ( 2.810 -9.740 -6.261) 11.914 8.851 ( 9.941 -5.119 -6.751) 13.061 9.094 ( 3.828 -10.535 -7.296) 13.374 9.580 ( 11.997 -12.353 -11.261) 20.575 9.942 ( 3.251 -3.904 -14.686) 15.540 10.646 ( -4.973 -7.412 -26.159) 27.639 11.194 ( -11.585 -9.468 16.077) 21.962 11.680 ( -3.161 10.629 14.280) 18.080 11.881 ( -8.962 -13.501 1.046) 16.239 12.159 ( 2.071 10.131 4.281) 11.192 12.575 ( -6.869 -0.183 3.386) 7.661 12.692 ( -0.718 2.479 0.738) 2.685 12.845 ( 2.629 2.878 1.626) 4.223 13.063 ( 3.469 4.303 -1.336) 5.687 13.289 ( -4.999 -0.610 7.489) 9.025 13.464 ( -1.646 -5.561 3.471) 6.759 13.596 ( 0.831 -3.675 3.121) 4.893 13.713 ( 3.065 -3.303 0.957) 4.607 14.021 ( 2.222 -3.764 5.063) 6.688 14.522 ( -5.169 1.437 -2.981) 6.138 14.804 ( 0.083 1.493 13.581) 13.663 14.954 ( -5.747 1.324 6.906) 9.081 15.157 ( -5.643 11.572 6.357) 14.359 15.251 ( 0.271 6.659 11.055) 12.909 15.662 ( -0.985 0.271 7.450) 7.520 15.902 ( -0.161 2.952 3.245) 4.390 16.155 ( 10.807 0.920 3.549) 11.412 16.810 ( -3.427 4.365 -6.989) 8.924 22.787 ( 1.156 1.001 3.487) 3.807 23.011 ( -0.895 1.359 3.837) 4.168 23.109 ( -3.324 -0.616 -0.245) 3.389 23.347 ( 3.009 4.129 1.771) 5.407 23.512 ( 9.434 -3.716 -0.273) 10.143 23.670 ( -1.450 4.292 4.376) 6.298 23.698 ( 0.744 1.786 8.466) 8.684 24.899 ( -3.894 -2.854 -13.705) 14.531 ======================= Grid point 263 (88/150) ======================= q-point: ( 0.25 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 12.707 15.506 23.491) 30.883 2.928 ( 10.403 10.836 27.993) 31.769 3.730 ( -5.829 0.101 5.172) 7.793 4.070 ( 11.811 9.111 10.527) 18.257 4.224 ( 4.360 9.851 -2.811) 11.134 4.392 ( -1.930 1.300 5.600) 6.064 5.257 ( -1.775 -1.536 -10.818) 11.070 5.739 ( -2.142 -4.733 -10.416) 11.639 6.325 ( 8.375 9.550 -15.564) 20.089 6.449 ( 11.081 -6.655 -10.604) 16.720 6.964 ( -1.691 1.037 -18.265) 18.372 7.172 ( -1.658 -4.990 -28.644) 29.122 8.866 ( 10.804 -1.363 -4.640) 11.837 9.158 ( 18.595 -1.638 -11.712) 22.037 9.301 ( 16.271 -13.836 3.266) 21.607 9.747 ( 5.045 -1.274 -13.396) 14.371 10.079 ( 8.608 -12.292 -9.905) 17.981 10.520 ( -6.416 -4.771 -23.102) 24.446 10.953 ( -10.881 -13.264 11.448) 20.625 11.484 ( -16.893 4.251 11.024) 20.615 11.652 ( -13.437 -10.996 -0.001) 17.363 12.015 ( -17.060 6.711 1.857) 18.426 12.518 ( 1.007 -1.207 4.848) 5.096 12.722 ( 2.959 1.843 1.425) 3.766 12.886 ( 1.672 0.881 1.998) 2.751 13.108 ( 1.048 2.504 0.399) 2.744 13.226 ( -0.595 1.656 5.340) 5.622 13.395 ( -3.909 -1.186 2.500) 4.789 13.634 ( 2.223 -5.345 2.724) 6.398 13.770 ( 2.111 -5.421 0.336) 5.827 14.099 ( 5.501 -1.408 4.858) 7.473 14.449 ( -2.222 0.866 -1.513) 2.824 14.741 ( -6.425 -0.553 10.792) 12.572 14.798 ( -5.878 7.171 10.641) 14.114 15.101 ( -1.135 10.575 5.704) 12.069 15.250 ( -1.238 7.871 12.020) 14.421 15.654 ( -0.580 0.222 13.000) 13.015 15.869 ( -2.504 4.003 5.908) 7.563 16.368 ( 9.475 -1.665 -1.726) 9.773 16.741 ( -2.855 2.271 -8.100) 8.883 22.811 ( 1.130 1.045 2.646) 3.062 22.973 ( -1.994 2.257 2.314) 3.798 23.105 ( 1.684 1.166 3.314) 3.897 23.394 ( 1.720 4.489 3.127) 5.735 23.607 ( -1.445 6.774 2.616) 7.404 23.644 ( -0.280 -0.975 8.290) 8.352 23.829 ( 12.507 -5.298 -2.244) 13.767 24.788 ( -7.124 -3.504 -12.600) 14.892 ======================= Grid point 264 (89/150) ======================= q-point: ( 0.38 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 10.978 11.824 23.706) 28.675 3.201 ( 16.278 9.538 20.562) 27.906 3.576 ( -8.670 5.422 12.476) 16.131 3.961 ( -16.195 8.257 6.573) 19.330 4.391 ( 10.552 3.351 3.938) 11.751 4.495 ( 5.401 -1.571 -1.740) 5.888 5.270 ( 2.804 -2.934 -12.574) 13.213 5.664 ( -4.743 -3.844 -9.736) 11.492 6.514 ( 8.769 -4.026 -9.653) 13.649 6.651 ( 7.988 4.117 -26.435) 27.921 6.880 ( -3.200 -0.618 -9.810) 10.337 7.155 ( -2.123 5.578 -31.599) 32.157 9.190 ( 19.829 2.143 -1.131) 19.977 9.447 ( 9.129 -3.094 -8.641) 12.945 9.715 ( 17.904 -10.691 1.056) 20.879 9.885 ( 11.844 3.052 -11.728) 16.945 10.118 ( -3.865 -3.246 -3.657) 6.233 10.498 ( 5.586 -9.649 -13.437) 17.460 10.820 ( -2.553 -14.734 0.707) 14.970 11.054 ( -23.076 1.423 9.786) 25.106 11.355 ( -15.671 -13.047 -5.096) 21.018 11.574 ( -24.215 -2.164 -0.678) 24.321 12.550 ( 1.720 -0.652 4.034) 4.434 12.732 ( -1.939 -1.068 8.794) 9.068 12.943 ( 3.141 1.682 -1.697) 3.947 13.138 ( 2.641 2.651 1.386) 3.990 13.241 ( 1.219 1.724 4.043) 4.561 13.329 ( -2.715 1.090 2.213) 3.668 13.672 ( 1.438 -4.581 2.104) 5.242 13.793 ( 0.369 -6.525 -0.687) 6.572 14.219 ( 5.517 0.604 3.157) 6.385 14.418 ( -1.262 0.041 0.245) 1.287 14.642 ( -1.927 2.650 11.525) 11.982 14.730 ( -1.907 5.949 10.997) 12.648 15.077 ( -1.360 6.644 8.006) 10.493 15.188 ( -4.430 9.837 9.464) 14.351 15.646 ( 0.082 2.238 13.228) 13.416 15.810 ( -3.054 5.803 11.341) 13.100 16.525 ( 6.262 -3.255 -4.750) 8.507 16.699 ( -1.761 -0.383 -8.301) 8.494 22.834 ( 1.327 1.593 2.852) 3.526 22.937 ( -1.782 3.034 2.880) 4.547 23.155 ( 3.015 2.376 3.826) 5.420 23.398 ( -1.483 5.153 3.390) 6.344 23.584 ( 0.088 3.412 5.409) 6.396 23.630 ( -1.073 1.967 6.022) 6.425 24.100 ( 13.512 -6.361 -5.988) 16.090 24.619 ( -9.520 -4.455 -10.792) 15.065 ======================= Grid point 265 (90/150) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.000 7.674 20.455) 21.847 3.386 ( -0.000 8.915 16.684) 18.916 3.604 ( -0.001 8.990 13.274) 16.032 3.609 ( 0.001 8.703 16.141) 18.338 4.515 ( -0.000 -0.378 -2.170) 2.202 4.536 ( 0.000 -1.602 -1.846) 2.444 5.320 ( 0.000 -3.000 -13.567) 13.895 5.597 ( 0.000 -3.914 -8.475) 9.335 6.614 ( 0.000 -6.847 -11.222) 13.146 6.714 ( 0.000 -2.698 -19.126) 19.315 6.887 ( 0.000 7.486 -22.810) 24.007 7.108 ( -0.000 10.344 -25.332) 27.362 9.492 ( -0.000 0.375 -8.438) 8.446 9.527 ( -0.000 3.457 -3.370) 4.827 9.783 ( 0.000 -4.956 -3.169) 5.883 9.981 ( 0.000 -5.133 -0.471) 5.154 10.317 ( -0.000 -7.946 -5.344) 9.576 10.529 ( 0.000 -1.487 4.908) 5.128 10.765 ( -0.000 0.954 -4.487) 4.587 10.802 ( 0.000 -1.013 -2.738) 2.919 11.195 ( -0.000 -20.530 -3.600) 20.844 11.212 ( 0.000 -14.673 -5.409) 15.639 12.573 ( 0.000 -0.288 2.432) 2.449 12.701 ( 0.000 -1.557 12.107) 12.207 12.974 ( 0.000 1.335 -2.359) 2.711 13.180 ( 0.000 2.373 1.216) 2.667 13.269 ( 0.000 0.427 4.662) 4.682 13.283 ( -0.000 3.510 1.590) 3.854 13.687 ( 0.000 -4.236 1.766) 4.589 13.795 ( 0.000 -6.704 -0.752) 6.746 14.282 ( -0.000 1.773 1.883) 2.586 14.400 ( 0.000 -0.355 1.745) 1.781 14.640 ( -0.000 -0.065 11.490) 11.490 14.709 ( 0.000 8.185 10.134) 13.026 15.061 ( 0.000 4.495 12.564) 13.344 15.127 ( -0.000 11.003 5.151) 12.149 15.651 ( 0.000 3.550 11.554) 12.087 15.773 ( 0.000 6.682 15.272) 16.670 16.603 ( 0.000 -4.063 -7.105) 8.185 16.669 ( -0.000 -1.191 -6.913) 7.015 22.855 ( -0.000 2.470 3.082) 3.950 22.911 ( 0.000 2.584 3.261) 4.160 23.196 ( 0.000 2.959 3.952) 4.937 23.370 ( -0.000 5.331 3.273) 6.256 23.602 ( -0.000 1.864 6.466) 6.729 23.605 ( 0.000 3.063 4.895) 5.774 24.302 ( 0.000 -6.139 -8.648) 10.605 24.459 ( -0.000 -5.060 -8.549) 9.934 ======================= Grid point 270 (91/150) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 0.000 15.046 20.942) 25.787 2.978 ( 0.000 10.810 29.908) 31.802 3.724 ( 0.000 -10.578 7.202) 12.797 3.863 ( 0.000 1.077 -0.754) 1.315 4.163 ( 0.000 16.574 13.198) 21.187 4.772 ( 0.000 4.493 -1.618) 4.775 5.495 ( 0.000 -2.998 6.711) 7.350 5.745 ( 0.000 6.111 -6.774) 9.123 5.813 ( 0.000 -0.099 -11.705) 11.705 6.625 ( 0.000 -8.584 -17.538) 19.526 6.663 ( 0.000 14.126 -19.963) 24.456 7.113 ( 0.000 -12.137 -21.743) 24.901 8.570 ( 0.000 -3.678 -8.861) 9.594 8.596 ( 0.000 -2.039 -6.851) 7.148 9.037 ( 0.000 -0.709 -14.205) 14.223 9.081 ( 0.000 -14.246 -14.294) 20.181 9.898 ( 0.000 -0.917 -18.316) 18.339 10.449 ( 0.000 -14.353 -24.131) 28.077 11.167 ( 0.000 -4.951 10.535) 11.640 11.646 ( 0.000 -17.530 0.436) 17.536 11.935 ( 0.000 9.435 16.266) 18.804 12.278 ( 0.000 5.763 3.763) 6.883 12.585 ( 0.000 -3.710 6.955) 7.883 12.810 ( 0.000 6.360 3.181) 7.111 12.995 ( 0.000 7.174 1.669) 7.365 13.098 ( 0.000 3.223 -1.997) 3.792 13.310 ( 0.000 -4.298 6.805) 8.049 13.352 ( 0.000 0.199 5.552) 5.555 13.499 ( 0.000 -5.510 4.331) 7.008 13.648 ( 0.000 -1.998 -1.992) 2.822 13.905 ( 0.000 -4.675 5.992) 7.600 14.620 ( 0.000 0.116 -7.341) 7.342 14.772 ( 0.000 -2.357 17.591) 17.748 15.021 ( 0.000 2.323 12.058) 12.280 15.398 ( 0.000 8.393 8.087) 11.655 15.456 ( 0.000 9.261 5.395) 10.718 15.782 ( 0.000 3.586 4.908) 6.078 15.832 ( 0.000 -1.824 -0.579) 1.914 16.095 ( 0.000 1.464 12.365) 12.452 16.950 ( 0.000 4.258 -10.503) 11.333 22.792 ( 0.000 0.906 3.894) 3.998 23.041 ( 0.000 1.410 3.843) 4.093 23.199 ( 0.000 -2.753 2.110) 3.468 23.202 ( 0.000 -1.611 -4.703) 4.971 23.446 ( 0.000 3.713 7.330) 8.217 23.663 ( 0.000 -1.725 11.763) 11.889 23.876 ( 0.000 8.479 1.157) 8.557 24.868 ( 0.000 -3.899 -15.054) 15.551 ======================= Grid point 271 (92/150) ======================= q-point: ( 0.12 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 10.228 14.647 21.287) 27.790 3.022 ( 4.539 11.231 28.229) 30.718 3.709 ( -0.301 -7.766 6.728) 10.279 3.985 ( 9.679 0.233 0.782) 9.714 4.215 ( 5.344 13.355 10.403) 17.752 4.691 ( -7.721 4.677 -0.395) 9.036 5.454 ( -5.724 6.244 -2.596) 8.860 5.627 ( -0.594 -4.383 0.944) 4.523 6.033 ( 10.764 -2.571 -9.595) 14.647 6.520 ( -1.041 7.605 -17.728) 19.318 6.874 ( 12.166 1.110 -24.505) 27.382 7.049 ( -5.467 -10.685 -20.195) 23.492 8.621 ( 7.316 -2.434 -7.276) 10.602 8.764 ( 13.679 -2.418 -7.494) 15.783 8.973 ( 1.585 -2.467 -11.781) 12.140 9.304 ( 14.717 -12.187 -14.041) 23.712 9.886 ( -1.062 -1.517 -18.143) 18.237 10.416 ( -3.021 -14.037 -23.577) 27.605 11.042 ( -11.454 -4.193 9.798) 15.645 11.525 ( -10.986 -17.137 -0.384) 20.360 11.928 ( -2.819 9.440 17.171) 19.797 12.331 ( 3.047 5.767 4.973) 8.202 12.547 ( -4.485 -1.479 6.191) 7.787 12.783 ( -2.334 5.427 0.923) 5.979 12.907 ( -4.300 3.469 1.570) 5.743 13.148 ( 1.987 2.943 -0.904) 3.664 13.271 ( -2.662 -1.735 7.195) 7.866 13.362 ( 0.354 -2.624 4.175) 4.944 13.497 ( -0.456 -5.631 2.234) 6.075 13.648 ( 0.631 -2.838 -0.535) 2.956 13.953 ( 4.732 -2.972 5.627) 7.931 14.540 ( -5.344 0.386 -4.045) 6.713 14.767 ( -1.719 -2.814 16.163) 16.496 15.058 ( 1.147 6.023 10.999) 12.593 15.323 ( -5.435 5.443 11.133) 13.532 15.422 ( -2.998 7.071 3.887) 8.608 15.709 ( -0.261 4.709 8.351) 9.591 15.931 ( 1.238 0.289 0.498) 1.365 16.166 ( 7.708 0.087 7.115) 10.491 16.902 ( -4.379 3.978 -10.163) 11.760 22.805 ( 1.124 0.670 3.879) 4.094 23.042 ( -0.241 1.402 4.236) 4.469 23.104 ( -1.513 0.568 0.719) 1.769 23.393 ( 10.482 -4.623 -2.072) 11.643 23.457 ( 1.603 3.800 6.455) 7.660 23.657 ( -0.431 -1.341 11.168) 11.257 23.857 ( -1.807 8.045 0.878) 8.292 24.826 ( -4.115 -3.883 -14.827) 15.869 ======================= Grid point 272 (93/150) ======================= q-point: ( 0.25 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 10.492 11.935 24.623) 29.306 3.171 ( 10.254 13.340 21.073) 26.966 3.714 ( 0.353 -2.170 9.116) 9.378 4.163 ( 6.303 0.691 2.787) 6.927 4.364 ( 8.107 4.497 2.613) 9.631 4.491 ( -10.643 5.794 2.137) 12.305 5.344 ( -3.350 8.287 -6.600) 11.112 5.657 ( 0.968 -2.460 -0.343) 2.666 6.169 ( 4.664 -10.906 -1.163) 11.918 6.625 ( 8.140 8.275 -23.614) 26.313 6.914 ( -3.830 -3.586 -14.565) 15.481 7.124 ( 9.828 0.259 -34.974) 36.329 8.858 ( 15.605 -0.296 -5.158) 16.437 9.034 ( 13.108 -5.959 -2.758) 14.661 9.205 ( 20.790 1.746 -11.358) 23.755 9.626 ( 16.740 -11.752 -11.066) 23.255 9.872 ( 0.318 -3.831 -17.239) 17.663 10.353 ( -2.337 -12.584 -21.428) 24.959 10.756 ( -15.916 -3.993 7.510) 18.047 11.243 ( -16.684 -16.856 -1.409) 23.758 11.742 ( -16.455 9.194 15.375) 24.325 12.186 ( -20.575 8.387 2.868) 22.403 12.489 ( 1.430 -1.310 7.859) 8.095 12.757 ( -1.229 1.330 2.961) 3.471 12.893 ( 2.968 0.451 -0.041) 3.002 13.161 ( -0.038 1.425 -0.342) 1.466 13.235 ( -0.576 -1.071 5.491) 5.624 13.352 ( -0.766 -1.567 1.737) 2.461 13.518 ( 2.551 -5.510 1.581) 6.274 13.663 ( 0.497 -4.432 0.538) 4.492 14.084 ( 7.816 -0.461 4.170) 8.871 14.455 ( -2.923 -0.058 -2.346) 3.748 14.711 ( -3.125 -0.331 16.875) 17.165 15.006 ( -5.130 9.561 12.226) 16.346 15.205 ( -5.415 2.239 11.535) 12.938 15.414 ( -0.089 3.955 9.759) 10.531 15.713 ( 0.160 5.841 5.876) 8.287 15.926 ( -0.311 1.965 4.019) 4.484 16.334 ( 7.838 -1.287 0.197) 7.945 16.798 ( -5.470 2.617 -9.360) 11.153 22.834 ( 1.826 1.117 4.218) 4.730 23.040 ( 0.001 3.411 4.929) 5.994 23.114 ( 1.874 0.769 3.280) 3.855 23.463 ( 0.328 -0.081 7.611) 7.618 23.596 ( 3.747 -1.254 4.344) 5.873 23.692 ( 6.970 -0.106 0.555) 6.993 23.822 ( -0.152 5.167 -0.107) 5.170 24.707 ( -7.689 -3.961 -14.029) 16.481 ======================= Grid point 273 (94/150) ======================= q-point: ( 0.38 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 8.026 10.997 22.185) 26.029 3.398 ( 12.154 9.856 16.997) 23.103 3.712 ( -0.238 7.076 13.785) 15.497 4.087 ( -13.574 5.017 9.386) 17.249 4.417 ( 3.545 -0.709 -4.496) 5.770 4.486 ( 2.975 -0.690 -1.233) 3.293 5.341 ( 2.597 8.482 -6.940) 11.263 5.626 ( -3.750 0.561 -4.457) 5.852 6.299 ( 8.279 -12.557 1.825) 15.151 6.640 ( -5.444 -7.164 -9.488) 13.076 6.993 ( 9.041 10.293 -31.552) 34.398 7.258 ( 3.180 3.685 -37.069) 37.387 9.191 ( 16.840 -3.266 -1.018) 17.183 9.366 ( 17.672 -2.522 -5.142) 18.577 9.585 ( 12.541 -1.813 -11.637) 17.204 9.866 ( 2.127 -9.804 -11.086) 14.951 9.983 ( 12.920 -3.291 -4.740) 14.150 10.389 ( 7.255 -3.780 -17.426) 19.251 10.515 ( -1.734 -9.998 2.837) 10.536 10.881 ( -18.307 -14.291 -1.241) 23.258 11.309 ( -24.657 5.557 8.807) 26.766 11.643 ( -31.460 5.945 0.715) 32.025 12.533 ( 2.399 -0.805 7.417) 7.837 12.705 ( -3.349 -1.279 8.434) 9.164 12.970 ( 3.091 1.086 -1.888) 3.781 13.180 ( 2.104 -0.671 0.110) 2.211 13.237 ( 0.356 -0.411 3.583) 3.624 13.349 ( 0.253 1.252 0.731) 1.472 13.569 ( 2.072 -4.980 1.298) 5.548 13.667 ( -0.003 -5.160 1.170) 5.291 14.237 ( 6.756 0.835 1.778) 7.036 14.416 ( -1.401 -0.323 -0.727) 1.611 14.667 ( -1.070 2.007 17.626) 17.772 14.910 ( -3.688 7.986 14.122) 16.638 15.124 ( -2.488 0.593 13.204) 13.449 15.350 ( -5.429 3.199 10.439) 12.193 15.737 ( 1.860 6.326 3.767) 7.594 15.924 ( -0.149 4.921 7.118) 8.655 16.466 ( 5.337 -1.990 -3.910) 6.909 16.700 ( -4.204 0.135 -7.914) 8.962 22.881 ( 2.817 2.742 4.989) 6.352 23.021 ( -1.993 4.697 6.062) 7.923 23.174 ( 3.695 -0.025 4.849) 6.096 23.441 ( -2.437 -1.767 9.017) 9.507 23.630 ( 1.865 2.452 5.037) 5.904 23.727 ( -2.137 5.404 1.259) 5.946 23.992 ( 13.282 -3.533 -7.504) 15.659 24.524 ( -10.393 -4.337 -12.411) 16.758 ======================= Grid point 274 (95/150) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -0.000 9.337 18.930) 21.108 3.564 ( -0.000 6.368 15.587) 16.838 3.794 ( -0.000 10.574 16.257) 19.393 3.804 ( 0.000 10.698 12.791) 16.675 4.472 ( -0.000 -4.779 -5.973) 7.650 4.503 ( 0.000 -1.660 -3.765) 4.114 5.391 ( 0.000 8.899 -6.968) 11.303 5.565 ( -0.000 0.723 -5.041) 5.093 6.435 ( 0.000 -10.150 -2.198) 10.386 6.534 ( -0.000 -11.436 -1.530) 11.538 7.110 ( -0.000 10.996 -39.297) 40.806 7.274 ( 0.000 5.689 -34.472) 34.939 9.446 ( -0.000 -3.792 -4.853) 6.159 9.541 ( 0.000 -3.545 -2.978) 4.629 9.716 ( -0.000 -2.149 -12.368) 12.554 9.778 ( 0.000 -10.018 -5.222) 11.297 10.213 ( -0.000 -3.763 -8.580) 9.369 10.445 ( 0.000 -10.637 3.769) 11.285 10.650 ( 0.000 -4.897 -5.321) 7.231 10.770 ( -0.000 -1.941 -3.559) 4.054 11.046 ( -0.000 3.549 0.108) 3.551 11.049 ( 0.000 -1.073 0.759) 1.314 12.567 ( -0.000 -0.026 5.350) 5.350 12.659 ( 0.000 -2.219 11.663) 11.872 12.999 ( 0.000 1.206 -1.963) 2.303 13.208 ( 0.000 -3.560 0.906) 3.673 13.245 ( 0.000 1.660 2.190) 2.748 13.351 ( -0.000 2.590 0.642) 2.669 13.591 ( 0.000 -4.589 1.039) 4.705 13.666 ( 0.000 -5.297 1.633) 5.543 14.317 ( -0.000 1.513 -0.018) 1.513 14.395 ( 0.000 -0.475 0.499) 0.689 14.660 ( 0.000 2.681 17.693) 17.895 14.872 ( 0.000 5.919 14.936) 16.066 15.104 ( 0.000 0.648 15.060) 15.074 15.276 ( -0.000 2.999 8.422) 8.940 15.759 ( 0.000 6.716 3.967) 7.800 15.921 ( 0.000 6.516 8.413) 10.642 16.532 ( 0.000 -2.138 -6.791) 7.120 16.645 ( -0.000 -1.351 -5.918) 6.070 22.925 ( -0.000 4.148 5.264) 6.702 22.984 ( 0.000 4.199 6.514) 7.750 23.224 ( 0.000 -0.056 5.828) 5.828 23.403 ( 0.000 -2.112 8.668) 8.921 23.669 ( 0.000 4.094 3.107) 5.140 23.685 ( -0.000 4.028 2.926) 4.978 24.205 ( 0.000 -2.765 -11.046) 11.387 24.343 ( -0.000 -5.635 -9.727) 11.241 ======================= Grid point 279 (96/150) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 0.000 6.909 18.663) 19.901 3.211 ( 0.000 11.719 22.348) 25.234 3.476 ( 0.000 -12.399 15.554) 19.891 3.866 ( 0.000 -0.352 2.123) 2.152 4.406 ( 0.000 6.211 11.861) 13.388 4.797 ( 0.000 -0.621 -4.685) 4.726 5.355 ( 0.000 -5.240 13.536) 14.515 5.870 ( 0.000 4.030 -1.718) 4.381 5.954 ( 0.000 7.661 -18.770) 20.273 6.446 ( 0.000 -7.080 -16.979) 18.396 6.891 ( 0.000 6.385 -23.291) 24.151 6.907 ( 0.000 -6.020 -17.002) 18.037 8.565 ( 0.000 1.650 -7.436) 7.617 8.639 ( 0.000 5.234 -14.016) 14.962 8.826 ( 0.000 -9.959 -13.890) 17.091 9.040 ( 0.000 0.077 -7.602) 7.603 9.920 ( 0.000 3.771 -23.124) 23.430 10.160 ( 0.000 -11.745 -23.988) 26.709 11.142 ( 0.000 2.755 5.168) 5.856 11.319 ( 0.000 -12.406 1.996) 12.565 12.064 ( 0.000 3.071 14.831) 15.146 12.347 ( 0.000 1.392 3.395) 3.669 12.532 ( 0.000 -1.306 7.660) 7.770 12.935 ( 0.000 3.966 5.678) 6.926 13.069 ( 0.000 0.975 5.992) 6.071 13.137 ( 0.000 0.770 -0.828) 1.131 13.302 ( 0.000 2.061 3.960) 4.464 13.367 ( 0.000 0.782 3.046) 3.145 13.392 ( 0.000 -3.955 3.582) 5.336 13.609 ( 0.000 -1.249 -3.427) 3.648 13.822 ( 0.000 -2.652 7.080) 7.561 14.619 ( 0.000 -0.078 -7.013) 7.013 14.724 ( 0.000 -1.469 17.306) 17.368 15.062 ( 0.000 1.140 15.009) 15.053 15.546 ( 0.000 4.918 5.143) 7.116 15.603 ( 0.000 4.141 4.616) 6.202 15.782 ( 0.000 -2.374 0.451) 2.417 15.843 ( 0.000 1.770 7.140) 7.356 16.106 ( 0.000 0.030 13.594) 13.594 17.011 ( 0.000 1.520 -12.225) 12.319 22.807 ( 0.000 0.417 3.565) 3.589 23.071 ( 0.000 1.390 3.678) 3.932 23.143 ( 0.000 -2.123 2.741) 3.468 23.176 ( 0.000 -0.702 -4.197) 4.255 23.523 ( 0.000 2.888 9.847) 10.262 23.625 ( 0.000 -1.687 9.580) 9.727 24.010 ( 0.000 3.739 2.322) 4.401 24.798 ( 0.000 -2.153 -15.885) 16.031 ======================= Grid point 280 (97/150) ======================= q-point: ( 0.12 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 9.570 6.969 19.123) 22.490 3.252 ( 4.290 10.498 20.161) 23.132 3.509 ( 3.722 -10.371 15.822) 19.281 3.983 ( 10.247 -0.146 2.563) 10.564 4.400 ( -0.541 4.175 9.420) 10.318 4.738 ( -5.676 0.722 -3.854) 6.899 5.399 ( 3.326 -4.597 10.669) 12.084 5.746 ( -5.919 8.371 -1.257) 10.329 5.997 ( 0.097 -2.194 -13.111) 13.294 6.592 ( 11.858 1.153 -19.929) 23.218 6.806 ( -4.001 -6.076 -18.671) 20.039 7.000 ( 5.923 3.280 -24.471) 25.390 8.629 ( 7.010 1.811 -7.349) 10.316 8.766 ( 10.492 1.654 -12.051) 16.063 8.920 ( 10.706 -2.784 -9.980) 14.899 9.133 ( 8.996 -4.140 -9.982) 14.061 9.905 ( -1.285 4.125 -22.368) 22.782 10.128 ( -2.942 -12.072 -22.625) 25.812 11.028 ( -10.674 2.765 3.798) 11.662 11.209 ( -10.278 -11.778 0.961) 15.661 12.063 ( -1.994 3.364 16.657) 17.110 12.394 ( 3.334 0.930 5.981) 6.910 12.535 ( -0.790 0.071 5.993) 6.046 12.879 ( -4.884 2.787 2.669) 6.225 12.975 ( -7.652 2.616 4.496) 9.253 13.157 ( -0.089 -1.499 0.604) 1.619 13.267 ( -1.941 2.423 3.704) 4.833 13.330 ( -1.549 -2.105 2.573) 3.668 13.398 ( 0.022 -2.978 2.334) 3.784 13.606 ( -0.172 -0.965 -2.034) 2.258 13.903 ( 7.211 -1.486 6.055) 9.533 14.544 ( -5.435 0.076 -4.558) 7.093 14.724 ( -0.109 -1.106 17.743) 17.778 15.146 ( 5.250 2.185 14.184) 15.282 15.415 ( -9.780 3.036 9.781) 14.161 15.495 ( -6.406 0.718 5.572) 8.521 15.824 ( 1.801 4.851 2.251) 5.643 15.919 ( 2.737 -1.577 2.955) 4.325 16.166 ( 6.636 0.018 9.650) 11.711 16.959 ( -4.899 1.390 -11.642) 12.707 22.813 ( 0.895 0.179 4.236) 4.333 23.054 ( -0.733 0.006 3.764) 3.834 23.148 ( 2.137 3.033 2.332) 4.382 23.286 ( 6.820 -4.425 -0.859) 8.175 23.539 ( 2.298 2.955 7.214) 8.127 23.627 ( 0.370 -1.401 8.897) 9.014 23.984 ( -2.514 3.535 2.212) 4.869 24.758 ( -3.981 -2.068 -15.793) 16.418 ======================= Grid point 281 (98/150) ======================= q-point: ( 0.25 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 8.415 8.221 19.711) 22.955 3.387 ( 8.441 4.515 15.629) 18.327 3.639 ( 9.127 -3.596 17.076) 19.693 4.192 ( 8.351 2.059 4.196) 9.570 4.389 ( -0.251 -1.046 2.620) 2.832 4.581 ( -9.583 2.382 -1.582) 10.000 5.438 ( 0.945 -0.250 1.368) 1.681 5.729 ( 2.886 9.209 2.644) 10.006 5.964 ( -1.366 -9.187 -3.777) 10.027 6.648 ( -6.203 -2.382 -11.382) 13.180 6.920 ( 13.780 1.780 -28.809) 31.984 7.151 ( 8.668 1.573 -34.301) 35.414 8.829 ( 12.322 -1.382 -4.881) 13.325 9.025 ( 15.927 2.740 -5.523) 17.078 9.254 ( 20.134 2.496 -10.011) 22.624 9.384 ( 15.431 -9.207 -11.852) 21.525 9.888 ( 0.338 5.072 -17.885) 18.593 10.076 ( -0.282 -12.285 -17.970) 21.769 10.756 ( -15.391 2.975 -0.171) 15.677 10.943 ( -15.640 -10.723 -1.080) 18.993 11.888 ( -16.919 4.022 16.772) 24.161 12.316 ( -20.345 3.350 3.665) 20.942 12.474 ( 1.374 -0.037 9.756) 9.852 12.776 ( -4.820 0.517 2.448) 5.431 12.905 ( 2.792 0.514 0.474) 2.878 13.123 ( -2.034 -2.964 0.176) 3.599 13.258 ( 0.802 3.274 2.674) 4.302 13.326 ( 0.790 -2.023 1.243) 2.502 13.426 ( 2.879 -2.834 1.955) 4.488 13.600 ( -0.421 -1.435 -0.097) 1.499 14.075 ( 9.240 -0.315 4.111) 10.118 14.452 ( -3.369 -0.142 -2.543) 4.223 14.722 ( -0.009 0.755 19.285) 19.299 15.114 ( -7.773 1.024 16.113) 17.919 15.292 ( -4.356 6.356 10.654) 13.148 15.405 ( -2.123 -3.640 11.287) 12.048 15.818 ( -0.493 2.714 -1.545) 3.162 15.964 ( 2.096 1.460 4.975) 5.593 16.322 ( 7.608 -0.061 2.158) 7.908 16.834 ( -7.057 0.831 -10.076) 12.329 22.853 ( 3.151 0.577 5.721) 6.556 23.062 ( 1.265 -0.328 5.877) 6.020 23.193 ( 1.717 5.599 3.885) 7.028 23.368 ( 0.767 -6.255 6.680) 9.183 23.625 ( 2.966 2.000 4.870) 6.043 23.681 ( 8.517 -0.632 -0.728) 8.572 23.920 ( -3.437 2.903 1.870) 4.872 24.641 ( -7.639 -1.901 -15.325) 17.229 ======================= Grid point 282 (99/150) ======================= q-point: ( 0.38 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 6.733 5.746 16.274) 18.525 3.542 ( 6.508 1.934 16.165) 17.533 3.832 ( 9.314 3.728 16.812) 19.578 4.228 ( -6.366 8.604 8.936) 13.943 4.394 ( -1.205 -1.653 -5.346) 5.724 4.421 ( -2.127 -5.028 -0.360) 5.471 5.486 ( 4.147 3.063 -2.441) 5.704 5.709 ( -5.010 6.597 -3.534) 9.006 6.059 ( 10.092 -8.991 4.963) 14.399 6.490 ( -9.140 -5.057 -4.086) 11.216 7.171 ( 10.263 5.401 -37.234) 38.998 7.301 ( 5.194 0.637 -39.820) 40.162 9.110 ( 15.538 -2.618 -1.067) 15.793 9.357 ( 14.244 0.852 -4.804) 15.056 9.587 ( 8.848 0.328 -17.560) 19.666 9.630 ( 5.829 -8.032 -16.648) 19.382 9.951 ( 8.411 -1.228 2.047) 8.743 10.275 ( 20.214 -3.451 -6.708) 21.576 10.489 ( -7.610 3.646 -7.306) 11.162 10.627 ( -12.740 -9.460 -4.108) 16.391 11.417 ( -27.887 3.374 11.265) 30.265 11.746 ( -33.478 2.969 1.199) 33.630 12.523 ( 3.001 -0.121 9.862) 10.309 12.686 ( -4.390 -0.544 6.499) 7.861 12.994 ( 3.941 1.190 -0.845) 4.202 13.103 ( -0.073 -3.752 0.413) 3.776 13.284 ( 1.429 3.404 0.664) 3.751 13.348 ( 1.152 -1.950 0.423) 2.304 13.494 ( 3.389 -1.741 1.968) 4.288 13.590 ( -0.618 -2.005 1.257) 2.446 14.248 ( 7.474 0.219 1.579) 7.642 14.406 ( -1.626 -0.391 -1.409) 2.187 14.731 ( 1.113 3.141 21.126) 21.387 14.960 ( -6.658 -1.788 19.978) 21.134 15.202 ( -3.562 6.204 9.623) 11.991 15.333 ( -5.083 -3.677 12.275) 13.785 15.855 ( 3.495 3.868 -0.694) 5.259 15.989 ( 0.324 1.136 4.133) 4.299 16.453 ( 5.610 0.354 -2.287) 6.069 16.696 ( -6.459 -0.376 -7.807) 10.139 22.935 ( 4.790 1.955 7.337) 8.977 23.082 ( -0.042 0.319 8.602) 8.608 23.213 ( 0.705 5.001 4.854) 7.005 23.347 ( -2.134 -6.273 8.573) 10.835 23.676 ( 2.906 1.366 4.799) 5.774 23.809 ( -1.994 2.066 1.298) 3.152 23.956 ( 11.525 -0.442 -7.673) 13.852 24.457 ( -10.703 -1.827 -14.102) 17.798 ======================= Grid point 283 (100/150) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 0.000 5.553 16.480) 17.390 3.615 ( -0.000 -0.906 15.236) 15.263 4.022 ( -0.000 8.540 11.619) 14.420 4.030 ( 0.000 9.066 14.314) 16.943 4.374 ( -0.000 -2.895 -4.850) 5.648 4.425 ( 0.000 -5.551 -2.487) 6.083 5.580 ( -0.000 6.246 -3.884) 7.355 5.604 ( 0.000 2.114 -2.728) 3.451 6.256 ( 0.000 -4.473 1.846) 4.839 6.312 ( -0.000 -8.569 1.010) 8.629 7.291 ( -0.000 5.869 -41.472) 41.885 7.342 ( 0.000 0.754 -40.024) 40.031 9.389 ( -0.000 -1.125 -1.187) 1.636 9.420 ( 0.000 -4.790 0.119) 4.791 9.648 ( -0.000 -3.175 -17.988) 18.266 9.652 ( 0.000 -3.245 -20.693) 20.945 10.169 ( -0.000 0.064 -1.268) 1.269 10.229 ( 0.000 -6.521 3.327) 7.320 10.657 ( -0.000 2.714 -2.817) 3.912 10.720 ( 0.000 -2.948 -3.334) 4.450 11.093 ( -0.000 3.169 1.636) 3.566 11.117 ( 0.000 1.497 0.571) 1.603 12.579 ( -0.000 1.280 7.691) 7.797 12.615 ( 0.000 -2.014 9.967) 10.169 13.033 ( 0.000 2.338 -1.039) 2.559 13.106 ( 0.000 -4.733 0.603) 4.771 13.301 ( 0.000 3.089 0.042) 3.090 13.361 ( 0.000 -1.958 0.298) 1.981 13.537 ( -0.000 0.130 1.209) 1.216 13.578 ( 0.000 -3.253 2.262) 3.962 14.345 ( -0.000 1.325 -0.658) 1.480 14.374 ( 0.000 -1.390 -0.506) 1.479 14.755 ( 0.000 6.047 21.813) 22.636 14.879 ( -0.000 -4.678 22.430) 22.913 15.167 ( -0.000 5.354 10.360) 11.662 15.266 ( 0.000 -3.313 10.158) 10.684 15.903 ( 0.000 6.365 1.319) 6.500 15.987 ( 0.000 -0.845 2.978) 3.095 16.536 ( 0.000 2.463 -5.519) 6.043 16.601 ( -0.000 -2.991 -5.098) 5.911 23.013 ( -0.000 3.913 7.946) 8.858 23.054 ( 0.000 1.101 9.853) 9.915 23.227 ( 0.000 1.864 5.390) 5.704 23.315 ( 0.000 -5.382 8.114) 9.737 23.738 ( 0.000 2.094 3.474) 4.056 23.746 ( -0.000 1.414 3.223) 3.520 24.190 ( 0.000 1.095 -12.439) 12.487 24.243 ( -0.000 -3.839 -11.529) 12.152 ======================= Grid point 324 (101/150) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.000 0.000 27.990) 27.990 2.637 ( 0.000 0.000 26.332) 26.332 3.507 ( 0.000 0.000 -15.636) 15.636 3.525 ( 0.000 0.000 -18.350) 18.350 4.146 ( 0.000 0.000 20.995) 20.995 4.420 ( 0.000 0.000 1.108) 1.108 5.175 ( 0.000 0.000 6.097) 6.097 5.474 ( 0.000 0.000 -11.763) 11.763 5.626 ( 0.000 0.000 -16.838) 16.838 6.096 ( 0.000 0.000 -34.643) 34.643 6.614 ( 0.000 0.000 9.939) 9.939 7.121 ( 0.000 0.000 -14.433) 14.433 8.942 ( 0.000 0.000 6.518) 6.518 9.393 ( 0.000 0.000 -12.409) 12.409 9.524 ( 0.000 0.000 4.227) 4.227 9.612 ( 0.000 0.000 2.273) 2.273 9.645 ( 0.000 0.000 -0.853) 0.853 10.318 ( 0.000 0.000 -26.905) 26.905 11.538 ( 0.000 0.000 2.523) 2.523 11.591 ( 0.000 0.000 1.465) 1.465 11.994 ( 0.000 0.000 13.423) 13.423 12.326 ( 0.000 0.000 -2.849) 2.849 12.638 ( 0.000 0.000 2.303) 2.303 12.685 ( 0.000 0.000 -0.060) 0.060 12.766 ( 0.000 0.000 3.452) 3.452 12.869 ( 0.000 0.000 -0.931) 0.931 13.490 ( 0.000 0.000 1.205) 1.205 13.573 ( 0.000 0.000 -2.615) 2.615 13.725 ( 0.000 0.000 3.152) 3.152 13.773 ( 0.000 0.000 1.904) 1.904 14.188 ( 0.000 0.000 2.701) 2.701 14.393 ( 0.000 0.000 -6.244) 6.244 14.916 ( 0.000 0.000 8.176) 8.176 15.002 ( 0.000 0.000 4.310) 4.310 15.339 ( 0.000 0.000 2.362) 2.362 15.366 ( 0.000 0.000 14.468) 14.468 15.485 ( 0.000 0.000 -3.688) 3.688 15.774 ( 0.000 0.000 -5.307) 5.307 16.258 ( 0.000 0.000 15.661) 15.661 16.694 ( 0.000 0.000 -5.116) 5.116 22.865 ( 0.000 0.000 6.110) 6.110 23.041 ( 0.000 0.000 4.206) 4.206 23.140 ( 0.000 0.000 -6.983) 6.983 23.215 ( 0.000 0.000 -4.102) 4.102 23.374 ( 0.000 0.000 3.308) 3.308 23.502 ( 0.000 0.000 -2.858) 2.858 24.067 ( 0.000 0.000 17.043) 17.043 24.716 ( 0.000 0.000 -14.230) 14.230 ======================= Grid point 325 (102/150) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 8.619 0.000 26.404) 27.775 2.821 ( 16.085 0.000 24.329) 29.165 3.554 ( 2.797 0.000 -16.574) 16.808 3.625 ( 10.094 0.000 -13.767) 17.071 4.174 ( 3.292 0.000 19.666) 19.940 4.384 ( -2.473 0.000 2.943) 3.844 5.248 ( 4.905 0.000 2.153) 5.357 5.460 ( 1.383 0.000 -10.615) 10.705 5.552 ( -6.394 0.000 -16.836) 18.010 6.136 ( 3.289 0.000 -32.764) 32.929 6.734 ( 9.664 0.000 8.054) 12.580 7.119 ( -1.687 0.000 -11.208) 11.334 8.877 ( -0.300 0.000 1.074) 1.115 9.085 ( -15.344 0.000 -6.532) 16.676 9.531 ( -5.064 0.000 0.748) 5.119 9.791 ( 18.916 0.000 7.661) 20.409 9.935 ( 10.473 0.000 -6.864) 12.522 10.297 ( 2.478 0.000 -22.854) 22.988 11.502 ( -4.159 0.000 2.923) 5.083 11.552 ( -3.980 0.000 3.239) 5.131 11.983 ( -1.831 0.000 7.183) 7.412 12.232 ( -9.023 0.000 -4.088) 9.906 12.644 ( -2.524 0.000 2.767) 3.745 12.660 ( 1.521 0.000 1.871) 2.412 12.786 ( 2.585 0.000 4.964) 5.597 12.960 ( 7.053 0.000 -2.447) 7.465 13.390 ( -7.692 0.000 2.303) 8.029 13.486 ( -6.901 0.000 -1.505) 7.064 13.789 ( 4.424 0.000 2.205) 4.943 13.816 ( 2.672 0.000 1.243) 2.948 14.203 ( 1.399 0.000 1.869) 2.334 14.371 ( -1.899 0.000 -5.025) 5.372 14.823 ( -6.828 0.000 7.656) 10.259 14.929 ( -7.447 0.000 2.814) 7.961 15.220 ( -7.086 0.000 4.982) 8.662 15.308 ( -3.300 0.000 5.968) 6.819 15.645 ( 10.712 0.000 4.734) 11.712 15.908 ( 8.296 0.000 -2.015) 8.537 16.266 ( 1.703 0.000 12.113) 12.232 16.662 ( -2.748 0.000 -5.211) 5.892 22.843 ( -1.409 0.000 4.603) 4.814 23.043 ( -6.155 0.000 -4.644) 7.710 23.054 ( 0.781 0.000 4.242) 4.313 23.236 ( -0.126 0.000 -4.412) 4.413 23.426 ( 4.880 0.000 4.279) 6.491 23.605 ( 8.633 0.000 -4.426) 9.701 24.059 ( -0.566 0.000 16.490) 16.499 24.691 ( -2.446 0.000 -13.922) 14.136 ======================= Grid point 326 (103/150) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 15.012 0.000 22.089) 26.707 3.159 ( 15.318 0.000 22.532) 27.246 3.626 ( 3.700 0.000 -11.420) 12.004 3.795 ( 3.898 0.000 -3.833) 5.467 4.296 ( 8.810 0.000 13.712) 16.299 4.387 ( 4.113 0.000 0.896) 4.209 5.265 ( -1.611 0.000 -10.453) 10.576 5.414 ( -6.521 0.000 -16.080) 17.352 5.645 ( 15.279 0.000 -4.177) 15.840 6.202 ( 2.963 0.000 -26.830) 26.993 6.873 ( 1.607 0.000 2.256) 2.770 7.004 ( -9.401 0.000 -7.018) 11.731 8.963 ( 4.830 0.000 0.187) 4.834 9.063 ( 17.921 0.000 -4.850) 18.566 9.413 ( -4.900 0.000 -2.820) 5.654 9.871 ( -10.634 0.000 -16.933) 19.995 10.188 ( 19.283 0.000 10.465) 21.940 10.521 ( 13.972 0.000 -7.624) 15.916 11.344 ( -12.293 0.000 4.375) 13.049 11.435 ( -7.690 0.000 4.813) 9.072 11.871 ( -10.176 0.000 -3.342) 10.711 11.991 ( -14.100 0.000 -5.551) 15.153 12.618 ( 0.249 0.000 3.922) 3.930 12.694 ( 2.373 0.000 -0.178) 2.380 12.867 ( 4.447 0.000 7.089) 8.368 13.092 ( 5.072 0.000 -2.927) 5.856 13.248 ( -5.347 0.000 3.671) 6.486 13.344 ( -6.488 0.000 -0.298) 6.494 13.849 ( 0.696 0.000 1.144) 1.340 13.860 ( 2.276 0.000 0.862) 2.434 14.243 ( 2.541 0.000 0.483) 2.586 14.338 ( -1.011 0.000 -2.721) 2.903 14.718 ( -2.973 0.000 5.503) 6.255 14.756 ( -7.760 0.000 3.540) 8.529 15.114 ( -4.343 0.000 7.020) 8.255 15.224 ( -5.694 0.000 3.806) 6.849 15.827 ( 6.806 0.000 9.011) 11.292 15.991 ( 0.153 0.000 8.310) 8.312 16.362 ( 7.213 0.000 0.783) 7.256 16.610 ( -1.843 0.000 -5.967) 6.245 22.830 ( 0.169 0.000 2.409) 2.415 22.940 ( -3.944 0.000 -2.550) 4.697 23.061 ( 0.051 0.000 3.388) 3.388 23.209 ( -2.214 0.000 -3.630) 4.252 23.544 ( 6.281 0.000 6.232) 8.848 23.769 ( 5.903 0.000 -2.526) 6.420 24.072 ( 3.038 0.000 11.363) 11.762 24.622 ( -4.448 0.000 -12.895) 13.641 ======================= Grid point 327 (104/150) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 16.469 0.000 15.496) 22.613 3.405 ( 9.775 0.000 20.996) 23.159 3.655 ( -1.807 0.000 -1.842) 2.580 3.761 ( -5.657 0.000 10.725) 12.125 4.482 ( 8.031 0.000 4.144) 9.037 4.512 ( 6.089 0.000 -3.821) 7.188 5.249 ( 0.382 0.000 -16.394) 16.398 5.314 ( -3.244 0.000 -16.222) 16.543 5.974 ( 15.725 0.000 -6.045) 16.847 6.243 ( 0.740 0.000 -18.423) 18.438 6.795 ( -6.981 0.000 -2.773) 7.512 6.807 ( -8.675 0.000 -5.666) 10.361 9.204 ( 12.395 0.000 1.936) 12.546 9.249 ( -1.407 0.000 -7.932) 8.056 9.618 ( 24.317 0.000 -4.738) 24.774 9.705 ( -0.709 0.000 -11.952) 11.973 10.530 ( 14.636 0.000 12.438) 19.207 10.722 ( 5.055 0.000 -0.429) 5.073 11.014 ( -19.021 0.000 4.335) 19.509 11.214 ( -16.087 0.000 4.960) 16.834 11.634 ( -9.609 0.000 -10.912) 14.540 11.727 ( -10.998 0.000 -8.372) 13.822 12.651 ( 2.772 0.000 4.431) 5.227 12.742 ( 1.147 0.000 0.680) 1.333 12.931 ( 2.653 0.000 3.796) 4.632 13.113 ( -3.442 0.000 -2.934) 4.522 13.210 ( 1.199 0.000 4.051) 4.224 13.266 ( -1.081 0.000 1.196) 1.612 13.857 ( 0.372 0.000 0.694) 0.788 13.879 ( -0.104 0.000 -0.198) 0.224 14.296 ( 2.335 0.000 -0.382) 2.366 14.330 ( -0.052 0.000 -1.261) 1.262 14.675 ( 0.163 0.000 5.672) 5.674 14.707 ( 1.423 0.000 4.305) 4.534 15.023 ( -4.794 0.000 6.235) 7.865 15.079 ( -8.202 0.000 4.188) 9.210 15.915 ( 2.385 0.000 12.111) 12.344 15.969 ( -1.441 0.000 12.563) 12.645 16.499 ( 5.640 0.000 -4.380) 7.141 16.593 ( -0.270 0.000 -6.665) 6.670 22.844 ( 1.029 0.000 1.030) 1.456 22.885 ( -1.677 0.000 -0.801) 1.858 23.066 ( 0.716 0.000 1.626) 1.777 23.155 ( -3.044 0.000 -2.501) 3.940 23.662 ( 5.309 0.000 7.916) 9.532 23.807 ( -1.288 0.000 6.027) 6.163 24.198 ( 8.527 0.000 -0.808) 8.565 24.515 ( -6.290 0.000 -10.830) 12.524 ======================= Grid point 328 (105/150) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -8.709 0.000 7.784) 11.681 3.476 ( 8.709 0.000 7.784) 11.681 3.628 ( -4.552 0.000 18.009) 18.575 3.628 ( 4.552 0.000 18.009) 18.575 4.572 ( -0.201 0.000 -2.232) 2.241 4.572 ( 0.201 0.000 -2.232) 2.241 5.272 ( -0.184 0.000 -17.889) 17.890 5.272 ( 0.184 0.000 -17.889) 17.890 6.202 ( -2.902 0.000 -11.938) 12.286 6.202 ( 2.902 0.000 -11.938) 12.286 6.708 ( -0.011 0.000 -3.613) 3.613 6.708 ( 0.011 0.000 -3.613) 3.613 9.255 ( -1.923 0.000 -9.549) 9.741 9.255 ( 1.923 0.000 -9.549) 9.741 9.882 ( -5.291 0.000 1.027) 5.390 9.882 ( 5.291 0.000 1.027) 5.390 10.731 ( -1.399 0.000 4.907) 5.102 10.731 ( 1.399 0.000 4.907) 5.102 10.853 ( -12.085 0.000 4.366) 12.849 10.853 ( 12.085 0.000 4.366) 12.849 11.579 ( -1.243 0.000 -11.177) 11.246 11.579 ( 1.243 0.000 -11.177) 11.246 12.715 ( -0.618 0.000 4.275) 4.319 12.715 ( 0.618 0.000 4.275) 4.319 13.013 ( -1.761 0.000 -1.379) 2.237 13.013 ( 1.761 0.000 -1.379) 2.237 13.247 ( -1.144 0.000 2.522) 2.770 13.247 ( 1.144 0.000 2.522) 2.770 13.868 ( -0.111 0.000 -0.048) 0.121 13.868 ( 0.111 0.000 -0.048) 0.121 14.325 ( -0.081 0.000 -0.735) 0.740 14.325 ( 0.081 0.000 -0.735) 0.740 14.722 ( -1.303 0.000 5.289) 5.447 14.722 ( 1.303 0.000 5.289) 5.447 14.963 ( -0.305 0.000 5.097) 5.106 14.963 ( 0.305 0.000 5.097) 5.106 15.945 ( -0.466 0.000 13.246) 13.254 15.945 ( 0.466 0.000 13.246) 13.254 16.575 ( -2.016 0.000 -6.141) 6.464 16.575 ( 2.016 0.000 -6.141) 6.464 22.863 ( -0.311 0.000 0.337) 0.458 22.863 ( 0.311 0.000 0.337) 0.458 23.098 ( -1.377 0.000 -0.690) 1.540 23.098 ( 1.377 0.000 -0.690) 1.540 23.753 ( -3.548 0.000 8.473) 9.186 23.753 ( 3.548 0.000 8.473) 9.186 24.370 ( -7.363 0.000 -7.286) 10.358 24.370 ( 7.363 0.000 -7.286) 10.358 ======================= Grid point 333 (106/150) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.000 7.466 25.242) 26.323 2.787 ( 0.000 20.712 25.319) 32.711 3.550 ( 0.000 3.993 -14.733) 15.265 3.665 ( 0.000 11.527 -14.962) 18.887 4.148 ( 0.000 0.766 19.574) 19.589 4.415 ( 0.000 0.451 -0.301) 0.542 5.214 ( 0.000 3.701 5.215) 6.395 5.459 ( 0.000 0.688 -6.995) 7.029 5.748 ( 0.000 9.620 -18.042) 20.446 6.062 ( 0.000 -3.418 -29.691) 29.887 6.572 ( 0.000 -3.986 6.860) 7.935 7.072 ( 0.000 -4.704 -14.937) 15.661 8.853 ( 0.000 -8.123 4.609) 9.340 9.164 ( 0.000 -15.625 -7.942) 17.528 9.253 ( 0.000 -19.906 6.882) 21.062 9.532 ( 0.000 -13.002 -6.267) 14.434 9.700 ( 0.000 3.265 -2.802) 4.303 10.279 ( 0.000 -3.711 -26.289) 26.550 11.640 ( 0.000 11.934 7.476) 14.083 11.816 ( 0.000 15.541 -1.222) 15.589 11.881 ( 0.000 -9.734 13.411) 16.571 12.221 ( 0.000 -9.641 -3.310) 10.194 12.675 ( 0.000 3.287 1.704) 3.703 12.703 ( 0.000 2.160 0.245) 2.174 12.787 ( 0.000 1.274 3.634) 3.851 12.899 ( 0.000 2.211 -1.261) 2.545 13.489 ( 0.000 -0.118 2.837) 2.840 13.605 ( 0.000 2.263 -2.724) 3.541 13.678 ( 0.000 -4.266 3.956) 5.818 13.744 ( 0.000 -2.677 1.624) 3.131 14.161 ( 0.000 -2.227 3.979) 4.560 14.413 ( 0.000 1.420 -7.437) 7.571 14.960 ( 0.000 4.411 9.713) 10.667 15.090 ( 0.000 7.686 4.922) 9.127 15.289 ( 0.000 -3.840 3.155) 4.970 15.394 ( 0.000 2.642 13.776) 14.027 15.533 ( 0.000 3.858 -6.163) 7.271 15.783 ( 0.000 0.742 -5.065) 5.119 16.276 ( 0.000 1.730 15.253) 15.351 16.701 ( 0.000 0.807 -5.264) 5.326 22.867 ( 0.000 0.210 5.946) 5.949 23.062 ( 0.000 1.754 4.361) 4.701 23.134 ( 0.000 -0.555 -6.763) 6.786 23.219 ( 0.000 0.548 -2.345) 2.408 23.428 ( 0.000 3.851 1.503) 4.134 23.512 ( 0.000 2.227 -2.037) 3.018 24.053 ( 0.000 -1.335 16.829) 16.882 24.699 ( 0.000 -1.682 -14.473) 14.571 ======================= Grid point 334 (107/150) ======================= q-point: ( 0.12 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( 7.087 11.701 25.196) 28.671 2.947 ( 13.898 13.087 22.949) 29.851 3.640 ( 6.108 4.364 -13.489) 15.437 3.700 ( 4.818 9.520 -13.041) 16.850 4.182 ( 3.636 1.039 17.884) 18.280 4.392 ( -1.523 1.369 1.124) 2.336 5.236 ( 0.329 -0.071 3.072) 3.091 5.474 ( 3.215 2.494 -7.409) 8.453 5.674 ( -5.217 9.394 -17.013) 20.122 6.127 ( 4.815 -0.966 -30.417) 30.811 6.669 ( 7.852 -5.985 6.601) 11.876 7.068 ( -1.592 -4.924 -11.895) 12.972 8.806 ( 1.330 -6.158 -0.766) 6.346 8.936 ( -10.908 -11.501 -5.299) 16.713 9.462 ( 8.933 -12.423 5.575) 16.285 9.633 ( 6.610 -7.612 2.547) 10.398 9.865 ( 14.522 -8.395 -9.053) 19.061 10.231 ( -2.731 -4.889 -24.796) 25.420 11.561 ( -8.062 5.563 9.123) 13.386 11.697 ( -6.639 7.055 4.451) 10.662 11.962 ( 0.561 1.665 2.849) 3.347 12.143 ( -7.249 -7.573 -3.334) 11.001 12.610 ( -3.840 -0.638 2.921) 4.867 12.676 ( -1.066 1.047 0.161) 1.503 12.845 ( 3.902 3.456 4.216) 6.704 12.975 ( 6.070 1.351 -1.969) 6.523 13.405 ( -6.408 1.186 3.939) 7.615 13.519 ( -6.178 2.224 -0.927) 6.631 13.737 ( 3.521 -4.275 2.575) 6.108 13.793 ( 3.288 -2.565 0.458) 4.196 14.176 ( 1.489 -2.136 3.528) 4.385 14.391 ( -1.742 1.248 -5.925) 6.301 14.881 ( -6.285 5.136 7.091) 10.778 15.005 ( -8.424 7.836 2.308) 11.735 15.183 ( -5.506 -2.564 7.779) 9.869 15.364 ( -2.300 4.426 5.537) 7.453 15.666 ( 9.873 1.546 2.971) 10.425 15.917 ( 8.618 0.669 -2.267) 8.936 16.278 ( 0.922 1.200 11.928) 12.024 16.664 ( -3.260 0.406 -5.313) 6.246 22.848 ( -1.177 0.560 4.457) 4.643 23.026 ( -4.973 -0.330 -2.353) 5.512 23.100 ( 0.822 2.712 2.863) 4.028 23.270 ( 1.951 2.950 -3.059) 4.676 23.469 ( 3.324 3.985 1.991) 5.558 23.589 ( 7.522 -1.082 -3.314) 8.290 24.042 ( -0.928 -1.617 16.357) 16.463 24.672 ( -2.681 -1.899 -14.147) 14.524 ======================= Grid point 335 (108/150) ======================= q-point: ( 0.25 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 12.964 10.417 22.056) 27.623 3.240 ( 13.457 7.591 21.843) 26.755 3.713 ( 2.229 6.298 -7.868) 10.322 3.829 ( 3.952 4.753 -6.257) 8.795 4.302 ( 8.118 0.552 11.546) 14.125 4.403 ( 3.547 1.702 0.584) 3.978 5.202 ( -2.541 -2.871 -2.900) 4.807 5.499 ( -3.674 4.836 -13.528) 14.828 5.709 ( 10.892 6.509 -9.237) 15.695 6.213 ( 3.340 0.811 -27.514) 27.727 6.788 ( 2.361 -7.251 2.031) 7.892 6.974 ( -7.375 -3.391 -7.624) 11.137 8.887 ( 7.895 -5.435 -0.454) 9.595 9.018 ( 17.913 -3.803 -6.445) 19.413 9.462 ( -1.989 3.239 -1.647) 4.143 9.853 ( 0.744 -6.249 -4.220) 7.577 10.009 ( 10.160 -10.567 -3.437) 15.056 10.366 ( 14.485 -14.521 -11.155) 23.348 11.347 ( -12.997 -1.242 8.765) 15.725 11.527 ( -11.199 6.550 5.099) 13.940 11.791 ( -16.312 -5.920 -2.545) 17.538 11.955 ( -12.521 -2.476 -4.679) 13.594 12.577 ( 0.207 -0.878 2.983) 3.116 12.691 ( 3.063 -0.246 -1.558) 3.445 12.927 ( 3.947 3.507 6.078) 8.051 13.088 ( 4.411 -0.217 -1.452) 4.649 13.288 ( -4.230 2.922 4.504) 6.835 13.396 ( -5.744 3.742 0.058) 6.856 13.784 ( 1.170 -4.411 1.952) 4.964 13.846 ( 1.660 -2.923 -0.872) 3.472 14.221 ( 2.943 -1.429 2.782) 4.295 14.367 ( -0.224 1.405 -3.696) 3.960 14.761 ( -5.268 4.225 5.047) 8.430 14.829 ( -6.591 7.233 2.227) 10.036 15.113 ( -2.801 1.351 9.532) 10.026 15.294 ( -4.978 5.476 2.914) 7.954 15.841 ( 6.695 0.773 8.554) 10.889 16.011 ( 0.747 1.663 8.074) 8.277 16.352 ( 6.228 -0.682 0.495) 6.285 16.598 ( -2.683 -0.814 -6.077) 6.693 22.838 ( 0.186 0.933 2.530) 2.703 22.941 ( -3.060 0.680 -1.875) 3.653 23.114 ( 0.370 4.263 3.795) 5.719 23.276 ( -1.181 5.775 -3.217) 6.715 23.556 ( 5.211 1.443 4.908) 7.303 23.751 ( 6.663 -1.741 -2.775) 7.425 24.039 ( 1.848 -2.960 12.197) 12.686 24.596 ( -4.814 -2.468 -13.087) 14.161 ======================= Grid point 336 (109/150) ======================= q-point: ( 0.38 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 14.628 7.134 16.933) 23.486 3.463 ( 9.233 5.525 19.976) 22.689 3.709 ( -3.213 3.964 3.373) 6.117 3.818 ( -4.175 6.430 3.723) 8.523 4.462 ( 6.439 -1.542 2.296) 7.008 4.507 ( 5.069 -0.714 -1.726) 5.402 5.169 ( -0.439 -3.004 -7.316) 7.921 5.432 ( -2.283 6.306 -15.401) 16.798 5.945 ( 10.257 -0.880 -11.120) 15.154 6.248 ( -0.097 -0.136 -22.413) 22.413 6.774 ( -2.138 -1.175 -1.922) 3.106 6.835 ( -4.852 1.060 -5.036) 7.073 9.163 ( 13.766 -2.065 -1.209) 13.973 9.261 ( 2.136 -0.444 -7.343) 7.660 9.645 ( 21.013 3.250 -4.449) 21.723 9.770 ( 0.654 4.176 -10.292) 11.126 10.319 ( 16.245 -16.267 10.176) 25.141 10.622 ( 9.296 -11.752 -3.934) 15.492 11.028 ( -18.720 0.235 5.523) 19.519 11.233 ( -20.098 1.889 6.878) 21.326 11.450 ( -12.452 -12.923 -7.670) 19.516 11.661 ( -14.655 -8.044 -7.441) 18.299 12.595 ( 1.180 -0.840 3.156) 3.473 12.765 ( 3.140 0.048 -3.705) 4.857 12.979 ( 0.974 3.665 7.504) 8.407 13.145 ( 2.002 1.055 0.536) 2.326 13.256 ( 0.223 2.601 2.349) 3.512 13.303 ( -3.353 4.171 0.719) 5.400 13.796 ( 0.278 -3.939 1.513) 4.228 13.860 ( 0.033 -3.232 -1.836) 3.717 14.280 ( 2.354 -0.271 1.975) 3.085 14.376 ( 0.648 1.574 -2.583) 3.094 14.703 ( 0.233 3.780 6.084) 7.167 14.766 ( -0.505 5.517 2.922) 6.263 15.050 ( -3.233 4.175 7.828) 9.443 15.166 ( -7.290 6.615 2.979) 10.285 15.924 ( 1.919 0.415 12.715) 12.866 16.000 ( -0.854 2.743 12.288) 12.620 16.474 ( 5.093 -2.184 -4.942) 7.425 16.568 ( -0.668 -2.044 -7.069) 7.389 22.850 ( 0.787 0.988 1.622) 2.055 22.903 ( -1.018 1.867 -0.525) 2.191 23.122 ( 0.704 4.952 2.303) 5.507 23.236 ( -2.484 6.994 -2.621) 7.871 23.661 ( 4.923 0.020 7.211) 8.731 23.802 ( -0.967 -0.479 5.768) 5.868 24.148 ( 8.128 -4.668 -0.318) 9.379 24.482 ( -6.513 -3.090 -11.036) 13.182 ======================= Grid point 337 (110/150) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 0.000 2.793 14.099) 14.373 3.542 ( -0.000 5.798 9.753) 11.347 3.663 ( 0.000 5.950 12.405) 13.758 3.717 ( -0.000 6.494 13.793) 15.246 4.529 ( -0.000 -2.521 -1.168) 2.779 4.560 ( 0.000 -2.217 -2.213) 3.132 5.171 ( 0.000 -2.656 -9.554) 9.916 5.409 ( 0.000 5.717 -16.027) 17.016 6.061 ( 0.000 -5.119 -15.148) 15.989 6.228 ( -0.000 -1.907 -19.683) 19.775 6.763 ( 0.000 5.474 -2.114) 5.868 6.781 ( -0.000 3.100 -2.988) 4.306 9.257 ( -0.000 0.775 -9.588) 9.619 9.287 ( 0.000 2.201 -10.126) 10.362 9.876 ( 0.000 -0.882 2.395) 2.552 9.931 ( -0.000 3.521 0.132) 3.524 10.635 ( -0.000 -10.237 5.824) 11.778 10.699 ( 0.000 -7.205 3.769) 8.132 10.759 ( 0.000 -0.911 2.911) 3.051 10.832 ( -0.000 -2.625 1.794) 3.179 11.372 ( -0.000 -13.555 -7.786) 15.632 11.470 ( 0.000 -14.061 -9.210) 16.808 12.610 ( 0.000 -1.256 3.320) 3.549 12.796 ( -0.000 -0.040 -3.297) 3.298 12.985 ( 0.000 3.616 7.194) 8.051 13.170 ( 0.000 4.177 -0.167) 4.180 13.261 ( 0.000 3.539 1.889) 4.012 13.268 ( -0.000 1.227 1.503) 1.941 13.798 ( 0.000 -3.770 1.269) 3.978 13.858 ( 0.000 -3.191 -2.063) 3.799 14.303 ( 0.000 0.331 1.584) 1.618 14.382 ( 0.000 1.612 -2.187) 2.717 14.738 ( -0.000 3.387 5.754) 6.677 14.760 ( 0.000 3.086 4.580) 5.523 15.019 ( 0.000 6.791 5.622) 8.816 15.062 ( -0.000 7.175 4.057) 8.243 15.939 ( 0.000 0.061 14.193) 14.193 15.991 ( 0.000 3.269 12.884) 13.292 16.537 ( 0.000 -3.369 -6.656) 7.460 16.554 ( -0.000 -1.788 -6.735) 6.968 22.860 ( 0.000 1.149 1.441) 1.843 22.893 ( 0.000 2.095 0.214) 2.106 23.137 ( 0.000 4.940 0.869) 5.016 23.201 ( -0.000 7.554 -1.811) 7.768 23.736 ( -0.000 -0.822 8.100) 8.141 23.762 ( 0.000 0.195 8.237) 8.239 24.288 ( 0.000 -5.798 -6.246) 8.522 24.364 ( -0.000 -2.456 -8.372) 8.725 ======================= Grid point 342 (111/150) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 0.000 12.115 22.570) 25.616 3.238 ( 0.000 19.308 23.071) 30.084 3.658 ( 0.000 6.019 -12.036) 13.458 3.874 ( 0.000 5.917 -4.571) 7.477 4.199 ( 0.000 4.812 14.783) 15.546 4.501 ( 0.000 8.378 -5.916) 10.256 5.324 ( 0.000 6.746 2.451) 7.177 5.538 ( 0.000 7.123 0.664) 7.154 5.948 ( 0.000 -7.591 -16.301) 17.982 5.984 ( 0.000 12.703 -18.489) 22.432 6.457 ( 0.000 -6.836 -1.068) 6.919 6.930 ( 0.000 -8.828 -16.154) 18.409 8.647 ( 0.000 -10.296 1.735) 10.441 8.840 ( 0.000 -18.055 6.316) 19.128 8.875 ( 0.000 -10.461 -8.908) 13.739 9.183 ( 0.000 -18.362 -9.884) 20.853 9.708 ( 0.000 -2.067 -4.753) 5.183 10.163 ( 0.000 -7.548 -24.542) 25.677 11.636 ( 0.000 -13.059 12.586) 18.137 11.938 ( 0.000 14.312 8.957) 16.884 11.958 ( 0.000 -15.163 -3.586) 15.581 12.121 ( 0.000 12.510 -0.832) 12.538 12.747 ( 0.000 4.501 2.134) 4.982 12.783 ( 0.000 -1.642 5.334) 5.580 12.815 ( 0.000 8.134 -0.576) 8.155 12.957 ( 0.000 3.316 -3.084) 4.528 13.480 ( 0.000 -0.942 4.678) 4.772 13.566 ( 0.000 -6.039 5.632) 8.258 13.630 ( 0.000 -0.371 -2.844) 2.868 13.667 ( 0.000 -4.587 1.306) 4.769 14.109 ( 0.000 -2.738 6.128) 6.712 14.437 ( 0.000 0.833 -8.930) 8.969 15.085 ( 0.000 6.020 11.731) 13.185 15.182 ( 0.000 -2.146 9.455) 9.696 15.313 ( 0.000 9.773 0.733) 9.800 15.469 ( 0.000 4.456 11.560) 12.389 15.634 ( 0.000 6.159 -7.430) 9.651 15.798 ( 0.000 0.569 -4.268) 4.306 16.323 ( 0.000 2.475 14.034) 14.251 16.729 ( 0.000 1.831 -6.206) 6.471 22.873 ( 0.000 0.378 5.493) 5.506 23.095 ( 0.000 1.223 4.202) 4.377 23.119 ( 0.000 -0.929 -6.167) 6.237 23.230 ( 0.000 -0.043 -1.623) 1.624 23.490 ( 0.000 3.551 4.059) 5.394 23.640 ( 0.000 8.678 -2.803) 9.119 24.016 ( 0.000 -2.125 16.003) 16.143 24.646 ( 0.000 -3.437 -14.847) 15.239 ======================= Grid point 343 (112/150) ======================= q-point: ( 0.12 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 9.576 12.594 22.214) 27.272 3.292 ( 5.447 16.447 22.423) 28.336 3.731 ( 5.461 4.759 -8.691) 11.314 3.908 ( 3.913 7.396 -6.610) 10.663 4.229 ( 3.100 4.127 12.651) 13.664 4.483 ( -1.533 7.598 -3.972) 8.710 5.282 ( -3.886 4.922 5.552) 8.376 5.563 ( 2.444 5.629 -2.444) 6.606 5.879 ( -2.846 8.606 -16.575) 18.892 6.103 ( 7.421 -0.247 -22.045) 23.262 6.511 ( 4.641 -8.418 -0.172) 9.614 6.920 ( -1.491 -9.012 -13.205) 16.057 8.651 ( 3.459 -8.135 -2.330) 9.142 8.733 ( -0.979 -5.991 -5.694) 8.323 9.097 ( 15.925 -18.317 6.158) 25.040 9.401 ( 14.793 -16.593 -6.432) 23.142 9.710 ( 1.564 -4.725 -7.233) 8.780 10.118 ( -4.147 -6.586 -24.177) 25.399 11.484 ( -12.619 -10.982 12.009) 20.592 11.791 ( -11.245 -8.699 -2.719) 14.475 11.978 ( -2.517 7.796 8.314) 11.672 12.187 ( 1.563 10.807 -1.227) 10.988 12.636 ( -6.541 2.515 2.799) 7.546 12.706 ( -3.289 2.261 0.054) 3.992 12.896 ( 3.981 1.775 3.191) 5.402 13.020 ( 4.229 3.140 -2.623) 5.884 13.424 ( -4.345 0.326 5.750) 7.214 13.526 ( -4.245 -2.382 1.871) 5.215 13.636 ( 1.971 -5.062 1.712) 5.696 13.715 ( 2.660 -4.555 -0.770) 5.330 14.127 ( 1.952 -2.443 5.636) 6.446 14.408 ( -2.198 0.409 -7.162) 7.503 15.025 ( -5.459 7.111 7.264) 11.539 15.120 ( -6.728 0.656 6.698) 9.516 15.249 ( -2.640 11.450 5.600) 13.016 15.462 ( -0.964 4.519 6.124) 7.671 15.704 ( 6.829 2.680 1.127) 7.422 15.924 ( 8.132 -0.223 -2.693) 8.570 16.315 ( -0.155 2.234 11.175) 11.398 16.686 ( -3.981 1.662 -6.181) 7.538 22.867 ( -0.293 1.153 4.327) 4.488 23.032 ( -4.049 0.859 -2.557) 4.865 23.142 ( 3.026 1.124 4.512) 5.548 23.336 ( 6.115 2.394 -3.025) 7.230 23.528 ( 4.204 1.049 2.182) 4.851 23.641 ( 0.439 7.314 -2.318) 7.685 23.997 ( -1.685 -2.481 15.642) 15.927 24.613 ( -3.205 -3.702 -14.520) 15.323 ======================= Grid point 344 (113/150) ======================= q-point: ( 0.25 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( 11.192 13.564 20.698) 27.160 3.441 ( 8.645 10.601 21.486) 25.471 3.805 ( 1.725 3.780 0.146) 4.158 4.015 ( 4.424 10.099 -9.274) 14.407 4.321 ( 5.645 1.615 6.227) 8.559 4.463 ( 0.222 4.015 0.298) 4.033 5.200 ( -3.468 3.186 6.139) 7.737 5.584 ( -1.464 3.638 -3.821) 5.475 5.893 ( 4.510 10.279 -19.224) 22.261 6.224 ( 3.815 -0.079 -25.643) 25.925 6.612 ( 5.132 -8.928 -1.398) 10.392 6.864 ( -3.361 -6.864 -8.506) 11.435 8.796 ( 13.253 -2.726 -1.767) 13.645 8.940 ( 17.892 -2.913 -8.793) 20.147 9.429 ( 15.231 -12.769 7.342) 21.188 9.595 ( 6.679 -6.247 0.185) 9.147 9.860 ( 10.182 -12.874 -12.289) 20.504 10.053 ( 1.644 -9.652 -20.304) 22.542 11.194 ( -15.537 -12.207 10.809) 22.522 11.515 ( -16.116 -13.349 -4.815) 21.473 11.775 ( -17.828 9.738 9.196) 22.299 12.016 ( -18.569 8.042 -1.951) 20.330 12.593 ( 1.029 1.535 3.072) 3.585 12.711 ( 3.724 2.180 -2.126) 4.811 12.966 ( 3.041 0.082 4.798) 5.681 13.096 ( 3.355 1.190 -1.458) 3.847 13.337 ( -3.737 1.485 5.331) 6.677 13.437 ( -4.163 -0.631 1.181) 4.373 13.677 ( 1.807 -5.895 1.783) 6.418 13.753 ( 1.060 -5.397 -1.686) 5.753 14.189 ( 4.088 -1.430 4.228) 6.053 14.379 ( -0.421 -0.058 -4.667) 4.686 14.902 ( -5.619 7.550 6.144) 11.239 14.981 ( -5.640 7.400 4.681) 10.415 15.225 ( -0.836 9.065 7.657) 11.896 15.421 ( -3.552 6.540 2.821) 7.959 15.841 ( 5.653 -0.714 8.255) 10.030 16.032 ( 2.536 -0.205 5.838) 6.368 16.347 ( 3.425 0.412 1.265) 3.674 16.596 ( -4.246 0.882 -6.709) 7.989 22.871 ( 0.750 2.216 3.201) 3.965 22.981 ( -1.097 3.269 -1.328) 3.695 23.198 ( 2.223 2.970 5.866) 6.941 23.413 ( 1.626 6.743 -1.867) 7.183 23.616 ( 2.694 3.923 0.807) 4.827 23.703 ( 6.582 -2.066 -2.281) 7.266 23.964 ( -0.868 -3.889 13.273) 13.858 24.523 ( -5.682 -4.440 -13.470) 15.279 ======================= Grid point 345 (114/150) ======================= q-point: ( 0.38 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( 10.283 11.134 17.848) 23.415 3.610 ( 7.844 7.532 17.948) 20.986 3.808 ( -1.015 6.392 8.357) 10.570 4.013 ( -4.676 10.577 -1.363) 11.644 4.427 ( 4.476 -1.659 1.083) 4.895 4.492 ( 1.654 -0.286 0.199) 1.690 5.166 ( 0.110 3.106 2.797) 4.181 5.526 ( -3.495 2.820 -4.646) 6.461 6.001 ( 4.981 6.484 -24.300) 25.639 6.240 ( -1.836 -0.205 -25.957) 26.023 6.716 ( 5.092 -4.936 -2.014) 7.372 6.830 ( 0.162 -2.157 -5.601) 6.004 9.137 ( 16.954 -0.648 -3.823) 17.392 9.228 ( 6.836 -2.426 -9.240) 11.747 9.726 ( 16.552 2.691 -4.141) 17.274 9.747 ( 5.841 -10.276 -0.992) 11.862 10.039 ( 15.714 -5.655 -0.095) 16.701 10.284 ( 15.594 -17.859 -8.314) 25.124 10.905 ( -11.856 -12.585 6.072) 18.326 11.156 ( -19.524 -14.752 -3.175) 24.676 11.327 ( -24.057 5.836 5.375) 25.331 11.543 ( -26.111 0.624 -2.713) 26.259 12.618 ( 1.086 2.069 3.367) 4.098 12.785 ( 2.501 1.834 -3.362) 4.574 13.014 ( 1.540 -0.376 7.613) 7.776 13.161 ( 3.169 0.740 0.402) 3.279 13.295 ( -0.474 1.465 2.204) 2.688 13.366 ( -2.892 0.542 0.743) 3.035 13.705 ( 0.991 -5.020 1.255) 5.268 13.763 ( 0.115 -5.432 -1.914) 5.760 14.272 ( 3.600 -0.390 2.387) 4.337 14.384 ( 0.506 -0.346 -2.788) 2.855 14.837 ( -0.739 7.517 7.281) 10.491 14.901 ( -2.520 7.897 4.955) 9.658 15.204 ( -0.865 9.219 6.051) 11.061 15.321 ( -5.932 8.184 2.651) 10.450 15.911 ( 1.617 -1.857 12.823) 13.057 16.058 ( 0.623 2.192 10.778) 11.017 16.420 ( 3.009 -2.655 -5.291) 6.641 16.537 ( -1.523 -0.339 -7.616) 7.775 22.895 ( 1.518 3.372 3.019) 4.774 22.972 ( -0.346 4.888 0.276) 4.908 23.235 ( 1.745 4.942 4.500) 6.908 23.408 ( -1.659 8.886 -2.020) 9.262 23.672 ( 3.226 1.474 4.558) 5.776 23.784 ( -0.014 -1.495 4.834) 5.059 24.021 ( 7.019 -6.931 0.638) 9.885 24.392 ( -7.213 -5.380 -11.487) 14.592 ======================= Grid point 346 (115/150) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 0.000 6.604 16.827) 18.077 3.689 ( -0.000 7.935 11.750) 14.178 3.840 ( -0.000 9.838 9.808) 13.892 3.889 ( 0.000 9.474 9.966) 13.751 4.488 ( -0.000 -1.064 -0.064) 1.066 4.496 ( 0.000 -3.378 -1.069) 3.543 5.178 ( 0.000 3.633 -0.232) 3.640 5.480 ( 0.000 1.510 -4.204) 4.467 6.061 ( 0.000 5.059 -28.958) 29.397 6.202 ( 0.000 0.287 -24.486) 24.488 6.781 ( -0.000 -3.496 -0.895) 3.609 6.836 ( 0.000 0.189 -4.967) 4.971 9.270 ( -0.000 -0.023 -10.128) 10.128 9.325 ( -0.000 0.665 -11.820) 11.839 9.794 ( 0.000 -7.388 3.774) 8.296 9.977 ( -0.000 -1.776 -1.778) 2.513 10.326 ( -0.000 -15.695 4.838) 16.423 10.559 ( 0.000 -5.483 -2.915) 6.210 10.757 ( -0.000 -1.386 2.661) 3.000 10.792 ( 0.000 -1.826 0.906) 2.039 11.119 ( -0.000 -8.564 -3.431) 9.226 11.128 ( 0.000 -13.814 -2.951) 14.126 12.630 ( 0.000 2.072 3.442) 4.017 12.807 ( 0.000 1.241 -3.021) 3.266 13.027 ( -0.000 -0.025 8.766) 8.766 13.201 ( 0.000 0.657 0.598) 0.889 13.300 ( 0.000 1.876 0.436) 1.925 13.328 ( -0.000 0.654 0.898) 1.111 13.715 ( 0.000 -4.593 1.003) 4.701 13.763 ( 0.000 -5.274 -1.909) 5.609 14.312 ( 0.000 0.300 1.408) 1.439 14.389 ( 0.000 -0.412 -1.875) 1.920 14.844 ( -0.000 4.807 7.364) 8.794 14.874 ( 0.000 9.094 5.510) 10.634 15.213 ( 0.000 10.630 3.644) 11.238 15.227 ( -0.000 8.066 4.577) 9.274 15.925 ( 0.000 -1.701 13.939) 14.043 16.063 ( 0.000 3.143 12.116) 12.517 16.452 ( 0.000 -4.231 -7.563) 8.666 16.524 ( -0.000 -0.652 -7.306) 7.335 22.917 ( -0.000 4.267 2.900) 5.159 22.964 ( 0.000 4.947 1.501) 5.169 23.260 ( 0.000 5.861 2.940) 6.557 23.381 ( -0.000 9.149 -1.547) 9.279 23.725 ( -0.000 0.008 6.342) 6.342 23.757 ( 0.000 -0.853 7.514) 7.562 24.145 ( 0.000 -7.485 -6.100) 9.656 24.276 ( -0.000 -5.709 -9.146) 10.782 ======================= Grid point 351 (116/150) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 0.000 12.127 19.481) 22.948 3.526 ( 0.000 9.271 23.510) 25.272 3.778 ( 0.000 5.047 -7.953) 9.419 3.891 ( 0.000 -2.615 6.924) 7.402 4.365 ( 0.000 9.933 6.750) 12.009 4.667 ( 0.000 5.031 -8.046) 9.489 5.481 ( 0.000 7.928 -1.978) 8.171 5.736 ( 0.000 10.671 4.972) 11.772 5.763 ( 0.000 -9.341 -2.709) 9.726 6.241 ( 0.000 11.139 -19.725) 22.653 6.302 ( 0.000 -7.872 -7.269) 10.715 6.728 ( 0.000 -9.795 -16.817) 19.462 8.500 ( 0.000 -2.687 1.296) 2.983 8.556 ( 0.000 -8.935 2.145) 9.189 8.772 ( 0.000 0.646 -11.244) 11.262 8.835 ( 0.000 -14.464 -10.382) 17.804 9.637 ( 0.000 -4.288 -6.825) 8.060 9.965 ( 0.000 -11.516 -21.443) 24.340 11.380 ( 0.000 -10.591 9.386) 14.152 11.623 ( 0.000 -16.251 -2.738) 16.480 12.170 ( 0.000 7.718 7.641) 10.860 12.310 ( 0.000 5.765 -0.260) 5.771 12.742 ( 0.000 -1.817 8.167) 8.367 12.883 ( 0.000 8.260 3.715) 9.057 12.997 ( 0.000 8.309 -1.317) 8.413 13.023 ( 0.000 2.823 -5.003) 5.745 13.450 ( 0.000 -1.624 4.147) 4.454 13.453 ( 0.000 -4.317 6.612) 7.896 13.562 ( 0.000 -5.380 1.504) 5.587 13.592 ( 0.000 -2.846 -3.168) 4.259 14.050 ( 0.000 -2.828 8.430) 8.892 14.447 ( 0.000 0.212 -9.564) 9.567 15.079 ( 0.000 -2.927 12.147) 12.494 15.239 ( 0.000 4.150 7.683) 8.732 15.522 ( 0.000 9.440 3.189) 9.964 15.568 ( 0.000 4.764 8.206) 9.488 15.787 ( 0.000 7.801 -3.912) 8.727 15.800 ( 0.000 -0.507 -2.809) 2.854 16.367 ( 0.000 1.565 13.107) 13.200 16.769 ( 0.000 1.734 -7.970) 8.156 22.882 ( 0.000 0.414 4.899) 4.917 23.099 ( 0.000 -0.920 -5.408) 5.485 23.115 ( 0.000 0.833 3.413) 3.513 23.209 ( 0.000 -1.678 -0.782) 1.851 23.596 ( 0.000 6.241 7.344) 9.638 23.811 ( 0.000 6.168 -0.774) 6.217 23.980 ( 0.000 -0.309 12.134) 12.138 24.561 ( 0.000 -4.641 -15.120) 15.817 ======================= Grid point 352 (117/150) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 10.070 12.119 19.033) 24.708 3.550 ( 2.511 8.553 22.487) 24.190 3.822 ( 3.222 3.312 0.127) 4.622 3.974 ( 8.302 0.670 0.128) 8.330 4.370 ( 0.476 8.326 5.157) 9.806 4.629 ( -3.544 4.453 -5.768) 8.103 5.435 ( -4.808 9.127 3.121) 10.778 5.654 ( -0.790 1.250 1.841) 2.362 5.946 ( 9.972 0.627 -7.006) 12.203 6.194 ( -2.598 6.225 -13.932) 15.479 6.354 ( 3.935 -5.643 -15.383) 16.852 6.723 ( -0.655 -9.030 -14.013) 16.684 8.541 ( 6.703 -1.510 -0.999) 6.943 8.681 ( 8.857 -1.196 -4.320) 9.926 8.804 ( 9.943 -7.689 -1.820) 12.700 9.060 ( 16.292 -13.963 -10.007) 23.675 9.625 ( -0.840 -3.920 -6.912) 7.990 9.941 ( -1.980 -10.495 -20.950) 23.515 11.246 ( -12.266 -10.212 9.046) 18.346 11.489 ( -11.999 -15.840 -3.140) 20.118 12.193 ( -0.664 8.743 9.422) 12.871 12.376 ( 3.499 6.436 -0.282) 7.331 12.676 ( -6.284 1.052 6.013) 8.761 12.794 ( -6.069 6.099 -0.021) 8.604 12.945 ( -1.283 3.441 2.313) 4.341 13.092 ( 2.564 3.144 -3.946) 5.660 13.404 ( -2.942 -2.922 5.169) 6.627 13.450 ( -2.401 -3.321 4.138) 5.824 13.528 ( -0.719 -5.115 1.029) 5.267 13.623 ( 1.632 -4.013 -1.760) 4.676 14.080 ( 3.059 -2.090 7.090) 7.999 14.412 ( -2.628 0.059 -7.847) 8.276 15.058 ( -2.190 -0.640 11.725) 11.945 15.247 ( -0.639 7.733 5.673) 9.612 15.463 ( -4.738 7.699 3.370) 9.648 15.533 ( -0.792 2.593 6.801) 7.322 15.792 ( 2.676 4.835 1.122) 5.639 15.919 ( 6.136 0.761 -2.063) 6.518 16.357 ( -0.470 1.564 10.673) 10.797 16.724 ( -4.119 1.747 -7.875) 9.058 22.892 ( 1.026 1.125 4.587) 4.834 23.060 ( -1.135 1.708 -2.658) 3.357 23.152 ( 3.155 0.288 4.479) 5.486 23.327 ( 8.956 -2.869 -3.807) 10.146 23.598 ( 0.293 5.530 6.947) 8.885 23.803 ( -0.828 6.256 -0.916) 6.377 23.953 ( -2.465 -0.779 12.068) 12.342 24.523 ( -3.641 -4.779 -14.880) 16.047 ======================= Grid point 353 (118/150) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 10.952 11.918 17.467) 23.813 3.629 ( 5.208 6.990 20.618) 22.385 3.896 ( 4.233 4.759 7.055) 9.505 4.159 ( 7.761 4.072 -2.971) 9.254 4.384 ( 0.706 3.959 1.479) 4.285 4.543 ( -4.178 2.860 -0.006) 5.063 5.334 ( -4.049 8.823 6.568) 11.721 5.646 ( -1.684 2.468 0.777) 3.087 6.100 ( 4.685 8.443 -22.481) 24.467 6.194 ( 2.910 -2.791 -9.015) 9.876 6.454 ( 6.111 -5.439 -18.095) 19.858 6.708 ( -0.264 -7.683 -9.520) 12.237 8.779 ( 16.257 0.754 -2.481) 16.463 8.914 ( 14.479 -0.149 -8.826) 16.958 9.126 ( 19.292 -10.648 3.573) 22.323 9.424 ( 18.070 -15.397 -8.679) 25.277 9.638 ( 4.770 -2.225 -5.650) 7.722 9.922 ( 1.796 -6.494 -18.379) 19.575 10.938 ( -17.463 -10.688 8.555) 22.190 11.188 ( -17.425 -15.981 -3.890) 23.962 12.002 ( -19.438 10.353 10.099) 24.228 12.209 ( -21.722 9.202 -0.686) 23.601 12.623 ( 1.921 1.332 5.283) 5.777 12.765 ( 2.855 2.538 -1.823) 4.233 12.949 ( 1.491 -1.040 4.868) 5.197 13.124 ( 1.337 0.692 -2.988) 3.346 13.342 ( -2.967 -1.606 4.614) 5.716 13.386 ( -2.565 -2.454 1.579) 3.885 13.551 ( 2.124 -5.757 1.746) 6.380 13.646 ( 0.686 -4.568 -1.972) 5.022 14.167 ( 5.294 -0.718 4.299) 6.857 14.374 ( -0.827 -0.256 -5.139) 5.211 15.005 ( -2.567 3.809 11.654) 12.527 15.188 ( -4.452 10.906 4.461) 12.596 15.377 ( -3.272 3.789 6.724) 8.383 15.549 ( 0.023 4.588 1.971) 4.993 15.832 ( 1.350 0.294 7.199) 7.331 16.016 ( 3.761 -0.194 2.616) 4.585 16.366 ( 1.351 1.229 3.554) 3.996 16.626 ( -5.031 1.530 -7.721) 9.342 22.925 ( 2.399 2.886 4.657) 5.981 23.071 ( 1.824 5.083 -1.448) 5.591 23.223 ( 3.514 -0.110 7.164) 7.980 23.512 ( 8.005 -0.283 -5.278) 9.593 23.618 ( 2.518 0.904 4.849) 5.538 23.774 ( -2.140 5.690 -0.281) 6.086 23.899 ( -2.237 -1.568 10.506) 10.855 24.420 ( -6.493 -5.213 -14.024) 16.310 ======================= Grid point 354 (119/150) ======================= q-point: ( 0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( 6.407 9.861 14.932) 19.007 3.743 ( 6.685 5.947 16.953) 19.169 3.977 ( 3.470 9.216 11.333) 15.013 4.197 ( -4.557 7.016 1.755) 8.548 4.402 ( 2.017 -0.779 2.370) 3.208 4.500 ( -0.699 0.704 1.403) 1.718 5.300 ( 0.624 9.036 4.004) 9.903 5.575 ( -4.676 2.690 -0.211) 5.399 6.172 ( 3.075 8.254 -27.573) 28.946 6.241 ( 0.748 0.040 -18.468) 18.484 6.582 ( 5.858 -6.879 -8.866) 12.659 6.730 ( 2.122 -7.221 -9.690) 12.270 9.124 ( 15.667 -0.778 -6.143) 16.846 9.173 ( 8.766 -2.463 -9.959) 13.494 9.444 ( 10.738 -13.768 -1.073) 17.494 9.654 ( 9.067 -13.174 -8.409) 18.069 9.967 ( 21.489 -0.306 0.841) 21.507 10.119 ( 18.817 1.838 -8.634) 20.785 10.623 ( -9.354 -12.470 5.997) 16.703 10.826 ( -17.174 -15.360 -3.755) 23.345 11.482 ( -30.197 7.931 7.430) 32.093 11.643 ( -32.498 6.698 -0.906) 33.193 12.661 ( 1.335 2.040 5.422) 5.945 12.817 ( 1.222 0.609 -0.100) 1.369 12.989 ( 1.977 -1.135 5.501) 5.955 13.166 ( 2.690 -1.127 -1.504) 3.281 13.304 ( -0.812 -0.977 2.888) 3.155 13.354 ( -0.894 0.251 0.096) 0.933 13.591 ( 1.554 -5.616 0.883) 5.894 13.655 ( 0.359 -4.681 -1.860) 5.050 14.270 ( 4.348 0.089 1.694) 4.667 14.373 ( 0.297 -0.628 -2.919) 3.001 14.970 ( -0.911 6.209 11.510) 13.109 15.107 ( -3.040 10.544 5.047) 12.078 15.337 ( -0.665 2.444 7.918) 8.313 15.484 ( -5.690 5.801 2.084) 8.389 15.869 ( 2.128 -1.009 9.564) 9.849 16.074 ( 2.009 -0.424 5.559) 5.926 16.392 ( 0.877 0.413 -2.558) 2.736 16.547 ( -2.578 0.644 -7.103) 7.584 22.985 ( 3.280 5.103 5.027) 7.879 23.102 ( 0.560 7.577 1.000) 7.663 23.291 ( 3.394 0.088 7.626) 8.348 23.568 ( -1.173 5.193 1.887) 5.648 23.714 ( 2.919 -3.131 -0.717) 4.341 23.737 ( 0.000 2.381 2.106) 3.179 23.906 ( 4.220 -3.017 1.764) 5.479 24.272 ( -8.095 -5.889 -12.165) 15.755 ======================= Grid point 355 (120/150) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -0.000 7.687 15.628) 17.417 3.847 ( -0.000 6.208 11.028) 12.655 4.039 ( -0.000 9.316 10.643) 14.144 4.084 ( 0.000 9.509 10.981) 14.526 4.436 ( -0.000 -2.327 2.181) 3.189 4.487 ( 0.000 0.592 1.257) 1.390 5.323 ( 0.000 9.685 1.132) 9.751 5.511 ( -0.000 2.123 0.011) 2.123 6.214 ( -0.000 7.964 -31.298) 32.295 6.235 ( 0.000 2.187 -20.315) 20.433 6.649 ( -0.000 -8.266 -2.679) 8.689 6.758 ( 0.000 -7.099 -12.109) 14.036 9.244 ( -0.000 -2.042 -11.366) 11.548 9.295 ( -0.000 -3.297 -13.713) 14.104 9.603 ( 0.000 -10.332 0.705) 10.356 9.743 ( 0.000 -17.186 -2.473) 17.363 10.169 ( -0.000 -1.133 3.011) 3.217 10.406 ( 0.000 -9.536 -5.955) 11.243 10.679 ( 0.000 -2.637 4.430) 5.156 10.747 ( -0.000 -2.184 0.083) 2.186 11.058 ( 0.000 3.901 0.744) 3.971 11.062 ( -0.000 2.054 0.504) 2.115 12.675 ( -0.000 2.220 5.174) 5.630 12.825 ( 0.000 -0.162 1.394) 1.403 13.010 ( 0.000 -0.677 5.617) 5.657 13.200 ( 0.000 -1.960 -1.178) 2.287 13.299 ( 0.000 -1.371 2.350) 2.721 13.344 ( 0.000 2.209 -0.753) 2.334 13.607 ( 0.000 -5.447 0.524) 5.472 13.659 ( 0.000 -4.615 -1.770) 4.943 14.318 ( -0.000 0.430 0.385) 0.577 14.376 ( 0.000 -0.865 -1.818) 2.014 14.962 ( -0.000 6.719 11.184) 13.047 15.077 ( 0.000 9.755 5.419) 11.159 15.350 ( 0.000 2.467 8.075) 8.443 15.393 ( 0.000 5.469 3.659) 6.580 15.894 ( 0.000 0.036 9.133) 9.133 16.094 ( 0.000 -0.615 6.726) 6.754 16.400 ( 0.000 -0.016 -5.341) 5.341 16.523 ( -0.000 -0.014 -6.185) 6.185 23.030 ( -0.000 6.470 4.797) 8.055 23.097 ( 0.000 7.782 3.477) 8.523 23.337 ( 0.000 0.939 6.351) 6.420 23.537 ( 0.000 3.950 3.376) 5.196 23.727 ( 0.000 -1.107 2.365) 2.611 23.747 ( 0.000 2.084 2.629) 3.355 24.010 ( 0.000 -4.735 -6.743) 8.240 24.143 ( -0.000 -6.698 -9.553) 11.667 ======================= Grid point 360 (121/150) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 0.000 5.640 17.166) 18.069 3.662 ( 0.000 4.105 21.154) 21.548 3.824 ( 0.000 -2.903 15.257) 15.531 3.850 ( 0.000 1.702 -4.258) 4.586 4.552 ( 0.000 7.348 2.166) 7.661 4.682 ( 0.000 -2.782 -5.418) 6.091 5.576 ( 0.000 -2.059 4.651) 5.086 5.658 ( 0.000 2.495 -8.533) 8.891 5.908 ( 0.000 4.649 4.677) 6.594 6.156 ( 0.000 -5.043 -6.852) 8.508 6.405 ( 0.000 4.122 -22.182) 22.562 6.571 ( 0.000 -4.344 -16.303) 16.872 8.465 ( 0.000 -0.622 -3.374) 3.431 8.522 ( 0.000 2.688 2.586) 3.730 8.607 ( 0.000 -6.943 -8.492) 10.969 8.856 ( 0.000 4.718 -10.315) 11.343 9.568 ( 0.000 -0.750 -10.808) 10.834 9.718 ( 0.000 -10.460 -17.726) 20.582 11.245 ( 0.000 -1.547 4.373) 4.638 11.338 ( 0.000 -9.868 -0.177) 9.869 12.269 ( 0.000 2.245 6.356) 6.741 12.377 ( 0.000 1.322 -0.021) 1.322 12.716 ( 0.000 -0.635 10.009) 10.029 13.037 ( 0.000 4.819 4.033) 6.284 13.065 ( 0.000 1.080 -5.773) 5.873 13.121 ( 0.000 3.351 0.031) 3.351 13.403 ( 0.000 -0.597 4.973) 5.009 13.426 ( 0.000 -0.587 2.578) 2.644 13.460 ( 0.000 -3.677 2.373) 4.376 13.537 ( 0.000 -1.770 -3.402) 3.835 14.002 ( 0.000 -1.459 10.544) 10.644 14.449 ( 0.000 0.014 -9.727) 9.727 15.036 ( 0.000 -1.083 13.228) 13.272 15.290 ( 0.000 1.023 5.111) 5.212 15.652 ( 0.000 2.793 5.027) 5.751 15.672 ( 0.000 4.212 4.910) 6.469 15.780 ( 0.000 -1.149 -0.955) 1.494 15.911 ( 0.000 3.402 -0.798) 3.495 16.387 ( 0.000 0.453 12.856) 12.864 16.793 ( 0.000 0.580 -9.411) 9.429 22.889 ( 0.000 0.194 4.450) 4.454 23.084 ( 0.000 -0.400 -4.847) 4.864 23.133 ( 0.000 0.897 2.404) 2.566 23.174 ( 0.000 -1.422 0.491) 1.505 23.724 ( 0.000 5.697 9.596) 11.160 23.826 ( 0.000 -3.272 8.954) 9.533 24.040 ( 0.000 3.693 1.421) 3.957 24.472 ( 0.000 -3.039 -15.912) 16.199 ======================= Grid point 361 (122/150) ======================= q-point: ( 0.12 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 10.001 5.637 16.874) 20.409 3.666 ( 1.074 2.822 18.912) 19.151 3.850 ( 3.800 -0.027 14.140) 14.642 3.991 ( 11.326 0.827 -1.320) 11.433 4.521 ( -3.057 5.427 2.503) 6.713 4.649 ( -3.053 -1.641 -4.311) 5.532 5.552 ( -3.330 -0.381 3.995) 5.214 5.690 ( 3.139 5.666 -4.914) 8.131 5.945 ( 4.196 -2.395 6.619) 8.195 6.212 ( 4.412 -1.090 -12.956) 13.730 6.346 ( -3.244 1.466 -23.792) 24.057 6.592 ( 0.760 -2.987 -16.231) 16.521 8.566 ( 8.583 2.443 -0.023) 8.924 8.621 ( 10.792 -2.444 -2.213) 11.284 8.745 ( 13.002 -2.634 -6.848) 14.929 8.931 ( 7.751 1.454 -10.284) 12.960 9.569 ( 0.590 -0.092 -10.031) 10.049 9.710 ( -0.303 -10.151 -16.586) 19.447 11.116 ( -12.060 -1.536 4.030) 12.808 11.212 ( -11.624 -9.514 -0.672) 15.037 12.310 ( 1.618 2.706 8.267) 8.848 12.455 ( 5.818 1.631 0.280) 6.049 12.687 ( -3.643 0.157 8.592) 9.334 12.908 ( -8.663 3.441 -0.261) 9.325 13.036 ( -6.281 4.608 1.680) 7.969 13.124 ( -0.169 -0.544 -3.041) 3.094 13.339 ( -3.428 -1.689 3.211) 4.992 13.378 ( -2.357 -3.481 1.557) 4.483 13.465 ( -0.577 -1.061 3.608) 3.805 13.564 ( 1.355 -1.448 -2.003) 2.819 14.046 ( 4.298 -0.968 8.221) 9.327 14.412 ( -2.766 -0.002 -8.080) 8.540 15.050 ( 1.201 -0.131 14.069) 14.120 15.359 ( 5.135 2.731 3.752) 6.922 15.543 ( -7.743 1.646 4.277) 8.998 15.586 ( -5.008 1.208 3.885) 6.452 15.848 ( 2.476 1.112 2.188) 3.486 15.973 ( 4.315 2.581 0.514) 5.054 16.378 ( -0.341 0.536 10.476) 10.495 16.748 ( -4.207 0.527 -9.239) 10.166 22.909 ( 2.157 0.458 5.096) 5.552 23.087 ( 1.371 0.602 -1.481) 2.106 23.178 ( 3.534 2.565 1.676) 4.677 23.251 ( 6.792 -3.975 -1.774) 8.068 23.717 ( -0.672 5.326 9.277) 10.718 23.818 ( -0.768 -3.153 8.746) 9.329 24.011 ( -2.729 3.727 1.100) 4.748 24.434 ( -3.787 -3.053 -15.836) 16.566 ======================= Grid point 362 (123/150) ======================= q-point: ( 0.25 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 6.548 4.317 16.679) 18.431 3.728 ( 7.173 2.414 16.400) 18.062 3.981 ( 8.982 2.751 14.567) 17.333 4.226 ( 10.237 2.458 -0.327) 10.533 4.439 ( -4.642 0.865 2.655) 5.417 4.574 ( -4.246 0.508 -0.591) 4.317 5.473 ( -3.181 2.771 3.724) 5.627 5.727 ( -0.906 5.590 -1.859) 5.960 6.054 ( 5.982 -6.450 8.568) 12.279 6.275 ( 2.766 5.829 -22.909) 23.800 6.379 ( 5.804 -3.351 -26.371) 27.209 6.586 ( -0.940 -3.030 -15.601) 15.920 8.789 ( 13.831 -0.624 0.356) 13.850 8.908 ( 15.592 1.079 -5.228) 16.481 9.054 ( 14.839 -0.148 -8.751) 17.228 9.162 ( 13.399 -6.984 -10.070) 18.158 9.647 ( 9.890 2.766 -5.688) 11.739 9.764 ( 8.911 -7.836 -11.251) 16.352 10.805 ( -18.093 -1.679 3.409) 18.488 10.915 ( -17.329 -9.070 -1.767) 19.639 12.162 ( -19.267 4.374 10.245) 22.256 12.354 ( -21.931 3.998 0.004) 22.292 12.648 ( 3.268 0.944 6.919) 7.710 12.795 ( -0.926 0.248 -0.749) 1.216 12.946 ( -0.108 0.828 3.590) 3.686 13.098 ( -1.183 -2.478 -2.468) 3.692 13.308 ( -0.204 -0.064 2.210) 2.220 13.358 ( -0.306 -1.301 1.167) 1.774 13.463 ( 1.148 -2.222 2.360) 3.439 13.578 ( 0.235 -1.714 -1.976) 2.627 14.157 ( 6.241 -0.258 4.349) 7.611 14.370 ( -1.153 -0.123 -5.185) 5.313 15.077 ( 1.363 2.510 15.314) 15.579 15.361 ( -5.089 2.208 7.507) 9.334 15.419 ( -4.992 4.871 2.907) 7.557 15.558 ( 1.523 -3.439 0.458) 3.789 15.848 ( -0.889 0.871 6.988) 7.098 16.044 ( 2.409 1.721 1.800) 3.465 16.390 ( 1.457 0.824 4.379) 4.688 16.645 ( -5.541 0.297 -8.489) 10.142 22.979 ( 4.796 1.793 6.477) 8.257 23.144 ( 4.069 0.662 1.096) 4.266 23.253 ( 3.417 4.532 3.102) 6.469 23.409 ( 8.054 -6.496 -2.689) 10.691 23.699 ( -0.905 4.008 6.811) 7.954 23.797 ( -1.111 -2.017 7.135) 7.497 23.946 ( -3.316 3.518 0.827) 4.904 24.326 ( -6.850 -3.142 -15.364) 17.112 ======================= Grid point 363 (124/150) ======================= q-point: ( 0.38 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 5.261 1.726 15.407) 16.371 3.876 ( 5.484 3.541 14.116) 15.552 4.146 ( 5.471 5.635 13.467) 15.590 4.326 ( -0.715 5.257 3.323) 6.261 4.381 ( -0.209 -1.310 3.480) 3.725 4.500 ( -2.128 -0.912 3.857) 4.498 5.459 ( 1.868 4.321 1.080) 4.830 5.654 ( -5.408 4.136 -1.960) 7.085 6.176 ( 5.968 -3.627 3.317) 7.732 6.325 ( 0.691 3.751 -18.327) 18.720 6.491 ( 4.305 -1.595 -25.867) 26.271 6.584 ( 1.206 -4.854 -21.417) 21.993 9.101 ( 15.809 -1.179 -1.771) 15.952 9.162 ( 7.678 2.247 -11.204) 13.767 9.244 ( 5.230 -5.520 -11.311) 13.629 9.367 ( 8.290 -10.494 -8.932) 16.081 10.023 ( 24.169 3.234 3.955) 24.703 10.173 ( 28.500 1.447 -4.069) 28.825 10.453 ( -13.071 -2.354 1.729) 13.393 10.561 ( -15.461 -9.579 -2.831) 18.407 11.612 ( -32.659 3.741 7.574) 33.733 11.757 ( -34.721 3.252 -0.359) 34.875 12.705 ( 1.964 2.009 7.206) 7.734 12.798 ( -0.193 -1.918 3.472) 3.971 12.995 ( 3.074 1.576 1.603) 3.808 13.098 ( 0.873 -3.955 -1.011) 4.175 13.312 ( 0.465 1.898 2.056) 2.836 13.359 ( 0.433 -0.860 0.703) 1.192 13.503 ( 2.272 -2.024 -0.226) 3.051 13.578 ( -0.203 -2.426 -2.154) 3.250 14.273 ( 4.839 0.149 1.251) 5.001 14.361 ( -0.137 -0.394 -2.739) 2.771 15.103 ( 1.182 5.913 14.843) 16.021 15.267 ( -3.615 0.600 9.479) 10.163 15.341 ( -2.086 2.686 4.809) 5.890 15.509 ( -5.951 -2.420 3.019) 7.098 15.888 ( 4.296 1.670 5.271) 7.002 16.062 ( -0.511 -0.443 1.940) 2.054 16.423 ( 1.581 1.689 -0.471) 2.361 16.547 ( -3.840 -0.466 -6.554) 7.611 23.091 ( 5.932 4.384 7.545) 10.551 23.235 ( 4.480 -0.630 3.376) 5.645 23.294 ( 0.359 6.482 5.919) 8.785 23.502 ( -0.276 -8.430 5.836) 10.256 23.721 ( 3.896 2.915 -4.819) 6.849 23.785 ( 0.139 0.270 2.556) 2.574 23.902 ( -0.230 1.607 1.251) 2.049 24.168 ( -8.654 -3.379 -13.683) 16.539 ======================= Grid point 364 (125/150) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 0.000 3.490 14.696) 15.104 3.914 ( -0.000 0.462 12.749) 12.757 4.215 ( -0.000 6.835 8.707) 11.070 4.262 ( 0.000 4.727 8.567) 9.785 4.409 ( -0.000 1.151 6.305) 6.410 4.478 ( 0.000 -2.386 4.807) 5.367 5.516 ( 0.000 6.926 -1.679) 7.126 5.561 ( 0.000 1.710 -1.196) 2.087 6.265 ( 0.000 0.826 -4.784) 4.854 6.301 ( -0.000 -1.195 -7.676) 7.768 6.535 ( -0.000 -0.066 -25.045) 25.045 6.606 ( 0.000 -5.930 -26.815) 27.463 9.223 ( 0.000 0.448 -14.506) 14.513 9.234 ( -0.000 -1.311 -14.867) 14.925 9.405 ( -0.000 -6.639 -1.273) 6.760 9.441 ( 0.000 -9.972 -2.172) 10.206 10.183 ( -0.000 1.990 1.528) 2.509 10.250 ( 0.000 -4.905 -0.932) 4.993 10.672 ( -0.000 1.124 2.351) 2.606 10.706 ( 0.000 -1.886 0.473) 1.944 11.130 ( 0.000 2.935 1.707) 3.395 11.140 ( -0.000 2.340 1.176) 2.619 12.727 ( -0.000 2.916 6.270) 6.915 12.790 ( 0.000 -2.853 5.700) 6.374 13.028 ( 0.000 2.565 1.289) 2.871 13.111 ( 0.000 -5.085 -0.325) 5.095 13.319 ( 0.000 2.440 1.809) 3.037 13.366 ( 0.000 -0.993 0.343) 1.050 13.532 ( -0.000 -0.604 -1.188) 1.333 13.573 ( 0.000 -3.594 -2.151) 4.189 14.332 ( -0.000 0.892 -0.496) 1.021 14.354 ( 0.000 -1.166 -1.294) 1.741 15.117 ( 0.000 7.799 13.257) 15.381 15.229 ( 0.000 1.245 10.185) 10.261 15.338 ( -0.000 0.636 7.301) 7.329 15.417 ( 0.000 -2.826 4.643) 5.435 15.950 ( -0.000 4.608 3.374) 5.711 16.044 ( 0.000 -3.867 1.738) 4.239 16.444 ( 0.000 3.336 -3.066) 4.530 16.504 ( -0.000 -2.025 -4.389) 4.833 23.172 ( -0.000 6.828 7.017) 9.791 23.273 ( 0.000 6.468 8.720) 10.857 23.301 ( 0.000 -1.518 4.778) 5.013 23.471 ( 0.000 -8.192 7.668) 11.221 23.771 ( 0.000 3.348 -3.092) 4.557 23.791 ( 0.000 1.375 -0.276) 1.403 23.962 ( 0.000 0.048 -7.317) 7.317 24.017 ( -0.000 -4.988 -9.274) 10.530 ======================= Grid point 405 (126/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 0.000 0.000 -24.799) 24.799 3.082 ( 0.000 0.000 24.799) 24.799 3.125 ( 0.000 0.000 -21.741) 21.741 3.125 ( 0.000 0.000 21.741) 21.741 4.397 ( 0.000 0.000 -5.022) 5.022 4.397 ( 0.000 0.000 5.022) 5.022 5.400 ( 0.000 0.000 -4.343) 4.343 5.400 ( 0.000 0.000 4.343) 4.343 5.484 ( 0.000 0.000 -23.940) 23.940 5.484 ( 0.000 0.000 23.940) 23.940 6.850 ( 0.000 0.000 -12.707) 12.707 6.850 ( 0.000 0.000 12.707) 12.707 9.140 ( 0.000 0.000 -11.999) 11.999 9.140 ( 0.000 0.000 11.999) 11.999 9.602 ( 0.000 0.000 -3.225) 3.225 9.602 ( 0.000 0.000 3.225) 3.225 9.837 ( 0.000 0.000 -18.941) 18.941 9.837 ( 0.000 0.000 18.941) 18.941 11.583 ( 0.000 0.000 -1.707) 1.707 11.583 ( 0.000 0.000 1.707) 1.707 12.212 ( 0.000 0.000 -8.219) 8.219 12.212 ( 0.000 0.000 8.219) 8.219 12.675 ( 0.000 0.000 -1.131) 1.131 12.675 ( 0.000 0.000 1.131) 1.131 12.832 ( 0.000 0.000 -2.737) 2.737 12.832 ( 0.000 0.000 2.737) 2.737 13.524 ( 0.000 0.000 -2.121) 2.121 13.524 ( 0.000 0.000 2.121) 2.121 13.776 ( 0.000 0.000 -1.434) 1.434 13.776 ( 0.000 0.000 1.434) 1.434 14.270 ( 0.000 0.000 -5.374) 5.374 14.270 ( 0.000 0.000 5.374) 5.374 15.025 ( 0.000 0.000 -2.251) 2.251 15.025 ( 0.000 0.000 2.251) 2.251 15.404 ( 0.000 0.000 -3.964) 3.964 15.404 ( 0.000 0.000 3.964) 3.964 15.619 ( 0.000 0.000 -10.176) 10.176 15.619 ( 0.000 0.000 10.176) 10.176 16.531 ( 0.000 0.000 -10.946) 10.946 16.531 ( 0.000 0.000 10.946) 10.946 22.998 ( 0.000 0.000 -6.937) 6.937 22.998 ( 0.000 0.000 6.937) 6.937 23.128 ( 0.000 0.000 -4.387) 4.387 23.128 ( 0.000 0.000 4.387) 4.387 23.440 ( 0.000 0.000 -3.214) 3.214 23.440 ( 0.000 0.000 3.214) 3.214 24.407 ( 0.000 0.000 -16.236) 16.236 24.407 ( 0.000 0.000 16.236) 16.236 ======================= Grid point 407 (127/150) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 5.351 0.000 -20.424) 21.113 3.130 ( 5.351 0.000 20.424) 21.113 3.285 ( 13.894 0.000 -17.258) 22.156 3.285 ( 13.894 0.000 17.258) 22.156 4.398 ( 0.288 0.000 -3.481) 3.493 4.398 ( 0.288 0.000 3.481) 3.493 5.321 ( -5.963 0.000 -5.392) 8.039 5.321 ( -5.963 0.000 5.392) 8.039 5.571 ( 7.291 0.000 -20.634) 21.884 5.571 ( 7.291 0.000 20.634) 21.884 6.917 ( 4.468 0.000 -9.519) 10.516 6.917 ( 4.468 0.000 9.519) 10.516 8.955 ( -8.507 0.000 -5.841) 10.319 8.955 ( -8.507 0.000 5.841) 10.319 9.698 ( -4.825 0.000 -13.933) 14.745 9.698 ( -4.825 0.000 13.933) 14.745 9.967 ( 19.175 0.000 -10.368) 21.798 9.967 ( 19.175 0.000 10.368) 21.798 11.555 ( -3.225 0.000 -1.926) 3.756 11.555 ( -3.225 0.000 1.926) 3.756 12.123 ( -8.430 0.000 -6.361) 10.561 12.123 ( -8.430 0.000 6.361) 10.561 12.677 ( -0.325 0.000 -0.375) 0.496 12.677 ( -0.325 0.000 0.375) 0.496 12.887 ( 5.354 0.000 -4.604) 7.061 12.887 ( 5.354 0.000 4.604) 7.061 13.442 ( -6.598 0.000 -2.573) 7.082 13.442 ( -6.598 0.000 2.573) 7.082 13.822 ( 3.108 0.000 -0.755) 3.199 13.822 ( 3.108 0.000 0.755) 3.199 14.268 ( -0.055 0.000 -4.528) 4.528 14.268 ( -0.055 0.000 4.528) 4.528 14.930 ( -7.969 0.000 -2.729) 8.423 14.930 ( -7.969 0.000 2.729) 8.423 15.314 ( -4.774 0.000 -3.546) 5.947 15.314 ( -4.774 0.000 3.546) 5.947 15.793 ( 11.655 0.000 -7.970) 14.119 15.793 ( 11.655 0.000 7.970) 14.119 16.506 ( -2.156 0.000 -10.222) 10.447 16.506 ( -2.156 0.000 10.222) 10.447 22.943 ( -3.780 0.000 -5.097) 6.346 22.943 ( -3.780 0.000 5.097) 6.346 23.144 ( 0.400 0.000 -4.557) 4.575 23.144 ( 0.400 0.000 4.557) 4.575 23.515 ( 6.747 0.000 -4.457) 8.086 23.515 ( 6.747 0.000 4.457) 8.086 24.389 ( -1.691 0.000 -15.828) 15.918 24.389 ( -1.691 0.000 15.828) 15.918 ======================= Grid point 409 (128/150) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 9.216 0.000 -16.905) 19.253 3.282 ( 9.216 0.000 16.905) 19.253 3.588 ( 14.128 0.000 -14.435) 20.198 3.588 ( 14.128 0.000 14.435) 20.198 4.423 ( 2.543 0.000 -0.075) 2.544 4.423 ( 2.543 0.000 0.075) 2.544 5.196 ( -5.971 0.000 -4.291) 7.353 5.196 ( -5.971 0.000 4.291) 7.353 5.762 ( 11.455 0.000 -14.919) 18.809 5.762 ( 11.455 0.000 14.919) 18.809 6.922 ( -5.199 0.000 -2.590) 5.808 6.922 ( -5.199 0.000 2.590) 5.808 8.989 ( 12.393 0.000 -2.481) 12.639 8.989 ( 12.393 0.000 2.481) 12.639 9.531 ( -8.974 0.000 -13.520) 16.227 9.531 ( -8.974 0.000 13.520) 16.227 10.376 ( 19.307 0.000 -7.882) 20.854 10.376 ( 19.307 0.000 7.882) 20.854 11.434 ( -9.363 0.000 -3.742) 10.083 11.434 ( -9.363 0.000 3.742) 10.083 11.884 ( -15.211 0.000 -4.084) 15.749 11.884 ( -15.211 0.000 4.084) 15.749 12.676 ( 0.947 0.000 -1.745) 1.986 12.676 ( 0.947 0.000 1.745) 1.986 13.002 ( 4.632 0.000 -5.824) 7.442 13.002 ( 4.632 0.000 5.824) 7.442 13.313 ( -5.196 0.000 -2.571) 5.797 13.313 ( -5.196 0.000 2.571) 5.797 13.865 ( 1.028 0.000 -0.327) 1.079 13.865 ( 1.028 0.000 0.327) 1.079 14.276 ( 1.044 0.000 -2.744) 2.936 14.276 ( 1.044 0.000 2.744) 2.936 14.784 ( -5.262 0.000 -0.896) 5.338 14.784 ( -5.262 0.000 0.896) 5.338 15.224 ( -4.993 0.000 -3.259) 5.962 15.224 ( -4.993 0.000 3.259) 5.962 15.991 ( 7.295 0.000 -6.070) 9.490 15.991 ( 7.295 0.000 6.070) 9.490 16.469 ( -0.845 0.000 -7.706) 7.752 16.469 ( -0.845 0.000 7.706) 7.752 22.884 ( -1.884 0.000 -2.841) 3.409 22.884 ( -1.884 0.000 2.841) 3.409 23.134 ( -1.189 0.000 -3.731) 3.916 23.134 ( -1.189 0.000 3.731) 3.916 23.670 ( 7.852 0.000 -6.021) 9.894 23.670 ( 7.852 0.000 6.021) 9.894 24.345 ( -2.441 0.000 -14.162) 14.371 24.345 ( -2.441 0.000 14.162) 14.371 ======================= Grid point 411 (129/150) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 7.898 0.000 -9.936) 12.692 3.464 ( 7.898 0.000 9.936) 12.692 3.791 ( 5.922 0.000 -8.580) 10.425 3.791 ( 5.922 0.000 8.580) 10.425 4.494 ( 3.795 0.000 -1.331) 4.022 4.494 ( 3.795 0.000 1.331) 4.022 5.097 ( -3.611 0.000 -2.756) 4.543 5.097 ( -3.611 0.000 2.756) 4.543 5.989 ( 9.686 0.000 -6.807) 11.839 5.989 ( 9.686 0.000 6.807) 11.839 6.762 ( -8.220 0.000 -0.288) 8.225 6.762 ( -8.220 0.000 0.288) 8.225 9.197 ( -1.447 0.000 -1.408) 2.019 9.197 ( -1.447 0.000 1.408) 2.019 9.568 ( 19.826 0.000 -0.877) 19.846 9.568 ( 19.826 0.000 0.877) 19.846 10.696 ( 11.811 0.000 -3.644) 12.361 10.696 ( 11.811 0.000 3.644) 12.361 11.158 ( -18.109 0.000 -8.800) 20.134 11.158 ( -18.109 0.000 8.800) 20.134 11.578 ( -12.801 0.000 -4.992) 13.740 11.578 ( -12.801 0.000 4.992) 13.740 12.721 ( 3.044 0.000 -2.405) 3.880 12.721 ( 3.044 0.000 2.405) 3.880 13.028 ( -1.718 0.000 -5.007) 5.293 13.028 ( -1.718 0.000 5.007) 5.293 13.265 ( 0.083 0.000 -1.364) 1.366 13.265 ( 0.083 0.000 1.364) 1.366 13.870 ( -0.166 0.000 -0.591) 0.614 13.870 ( -0.166 0.000 0.591) 0.614 14.303 ( 1.238 0.000 -1.055) 1.627 14.303 ( 1.238 0.000 1.055) 1.627 14.743 ( 1.078 0.000 -0.838) 1.366 14.743 ( 1.078 0.000 0.838) 1.366 15.105 ( -6.530 0.000 -1.574) 6.717 15.105 ( -6.530 0.000 1.574) 6.717 16.078 ( 1.948 0.000 -2.590) 3.241 16.078 ( 1.948 0.000 2.590) 3.241 16.480 ( 1.419 0.000 -3.394) 3.678 16.480 ( 1.419 0.000 3.394) 3.678 22.866 ( -0.168 0.000 -1.056) 1.069 22.866 ( -0.168 0.000 1.056) 1.069 23.106 ( -1.369 0.000 -2.258) 2.640 23.106 ( -1.369 0.000 2.258) 2.640 23.803 ( 5.055 0.000 -5.231) 7.274 23.803 ( 5.055 0.000 5.231) 7.274 24.300 ( -1.887 0.000 -9.519) 9.704 24.300 ( -1.887 0.000 9.519) 9.704 ======================= Grid point 413 (130/150) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 -0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.898 ( -0.000 0.000 0.000) 0.000 9.898 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.924 ( -0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 13.868 ( 0.000 0.000 0.000) 0.000 14.316 ( 0.000 0.000 0.000) 0.000 14.316 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 15.016 ( 0.000 0.000 0.000) 0.000 15.016 ( 0.000 0.000 0.000) 0.000 16.094 ( 0.000 0.000 0.000) 0.000 16.094 ( 0.000 0.000 0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 16.499 ( 0.000 0.000 0.000) 0.000 22.866 ( 0.000 0.000 0.000) 0.000 22.866 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 23.856 ( 0.000 0.000 0.000) 0.000 24.279 ( 0.000 0.000 -0.000) 0.000 24.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 423 (131/150) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 0.000 5.687 -20.881) 21.641 3.186 ( 0.000 5.687 20.881) 21.641 3.276 ( 0.000 16.840 -22.472) 28.082 3.276 ( 0.000 16.840 22.472) 28.082 4.380 ( 0.000 -1.081 -4.731) 4.853 4.380 ( 0.000 -1.081 4.731) 4.853 5.475 ( 0.000 7.010 -7.923) 10.579 5.475 ( 0.000 7.010 7.923) 10.579 5.499 ( 0.000 1.404 -22.476) 22.520 5.499 ( 0.000 1.404 22.476) 22.520 6.794 ( 0.000 -5.400 -12.882) 13.968 6.794 ( 0.000 -5.400 12.882) 13.968 9.000 ( 0.000 -11.922 -8.571) 14.683 9.000 ( 0.000 -11.922 8.571) 14.683 9.396 ( 0.000 -17.424 -7.051) 18.796 9.396 ( 0.000 -17.424 7.051) 18.796 9.832 ( 0.000 -1.041 -15.867) 15.901 9.832 ( 0.000 -1.041 15.867) 15.901 11.758 ( 0.000 14.454 -4.360) 15.097 11.758 ( 0.000 14.454 4.360) 15.097 12.101 ( 0.000 -9.823 -8.392) 12.919 12.101 ( 0.000 -9.823 8.392) 12.919 12.700 ( 0.000 2.564 -0.668) 2.650 12.700 ( 0.000 2.564 0.668) 2.650 12.856 ( 0.000 1.587 -2.972) 3.369 12.856 ( 0.000 1.587 2.972) 3.369 13.547 ( 0.000 1.678 -2.914) 3.363 13.547 ( 0.000 1.678 2.914) 3.363 13.742 ( 0.000 -3.208 -1.843) 3.700 13.742 ( 0.000 -3.208 1.843) 3.700 14.267 ( 0.000 -0.311 -6.496) 6.504 14.267 ( 0.000 -0.311 6.496) 6.504 15.099 ( 0.000 6.630 -3.753) 7.618 15.099 ( 0.000 6.630 3.753) 7.618 15.397 ( 0.000 -0.290 -6.855) 6.862 15.397 ( 0.000 -0.290 6.855) 6.862 15.635 ( 0.000 1.449 -9.697) 9.805 15.635 ( 0.000 1.449 9.697) 9.805 16.541 ( 0.000 0.992 -10.615) 10.661 16.541 ( 0.000 0.992 10.615) 10.661 22.996 ( 0.000 -0.145 -6.734) 6.735 22.996 ( 0.000 -0.145 6.734) 6.735 23.150 ( 0.000 1.657 -4.110) 4.431 23.150 ( 0.000 1.657 4.110) 4.431 23.468 ( 0.000 2.953 -2.220) 3.694 23.468 ( 0.000 2.953 2.220) 3.694 24.389 ( 0.000 -1.711 -16.123) 16.213 24.389 ( 0.000 -1.711 16.123) 16.213 ======================= Grid point 425 (132/150) ======================= q-point: ( 0.12 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 5.726 9.304 -18.664) 21.626 3.259 ( 5.726 9.304 18.664) 21.626 3.385 ( 10.968 10.946 -15.785) 22.119 3.385 ( 10.968 10.946 15.785) 22.119 4.383 ( 0.532 -0.884 -3.453) 3.604 4.383 ( 0.532 -0.884 3.453) 3.604 5.390 ( -5.712 6.292 -8.838) 12.261 5.390 ( -5.712 6.292 8.838) 12.261 5.591 ( 6.861 1.993 -18.100) 19.459 5.591 ( 6.861 1.993 18.100) 19.459 6.852 ( 3.819 -6.154 -10.107) 12.435 6.852 ( 3.819 -6.154 10.107) 12.435 8.844 ( -6.019 -9.200 -3.709) 11.603 8.844 ( -6.019 -9.200 3.709) 11.603 9.632 ( 9.111 -10.743 -10.631) 17.647 9.632 ( 9.111 -10.743 10.631) 17.647 9.827 ( 5.899 -7.443 -13.449) 16.464 9.827 ( 5.899 -7.443 13.449) 16.464 11.695 ( -6.403 9.854 -3.976) 12.406 11.695 ( -6.403 9.854 3.976) 12.406 12.050 ( -5.748 -5.221 -5.233) 9.364 12.050 ( -5.748 -5.221 5.233) 9.364 12.661 ( -2.420 -0.367 -1.759) 3.014 12.661 ( -2.420 -0.367 1.759) 3.014 12.922 ( 5.332 2.213 -3.277) 6.638 12.922 ( 5.332 2.213 3.277) 6.638 13.477 ( -5.524 2.702 -3.035) 6.858 13.477 ( -5.524 2.702 3.035) 6.858 13.782 ( 2.722 -3.659 -1.557) 4.819 13.782 ( 2.722 -3.659 1.557) 4.819 14.269 ( 0.313 -0.162 -5.598) 5.609 14.269 ( 0.313 -0.162 5.598) 5.609 14.989 ( -8.774 5.636 -3.351) 10.953 14.989 ( -8.774 5.636 3.351) 10.953 15.335 ( -3.333 2.120 -6.086) 7.256 15.335 ( -3.333 2.120 6.086) 7.256 15.801 ( 11.585 0.615 -7.883) 14.026 15.801 ( 11.585 0.615 7.883) 14.026 16.511 ( -2.690 0.592 -9.924) 10.299 16.511 ( -2.690 0.592 9.924) 10.299 22.943 ( -3.482 0.212 -4.736) 5.882 22.943 ( -3.482 0.212 4.736) 5.882 23.187 ( 1.837 3.487 -4.685) 6.122 23.187 ( 1.837 3.487 4.685) 6.122 23.523 ( 5.410 1.140 -3.124) 6.350 23.523 ( 5.410 1.140 3.124) 6.350 24.368 ( -1.929 -1.928 -15.728) 15.963 24.368 ( -1.929 -1.928 15.728) 15.963 ======================= Grid point 427 (133/150) ======================= q-point: ( 0.25 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 8.048 10.023 -16.394) 20.832 3.398 ( 8.048 10.023 16.394) 20.832 3.639 ( 12.073 5.108 -12.453) 18.081 3.639 ( 12.073 5.108 12.453) 18.081 4.413 ( 2.694 -0.601 -1.071) 2.960 4.413 ( 2.694 -0.601 1.071) 2.960 5.270 ( -5.859 6.743 -8.463) 12.305 5.270 ( -5.859 6.743 8.463) 12.305 5.764 ( 9.696 0.059 -14.077) 17.094 5.764 ( 9.696 0.059 14.077) 17.094 6.861 ( -3.466 -5.579 -4.476) 7.948 6.861 ( -3.466 -5.579 4.476) 7.948 8.918 ( 13.258 -5.515 -3.432) 14.763 8.918 ( 13.258 -5.515 3.432) 14.763 9.578 ( -5.937 3.250 -12.501) 14.215 9.578 ( -5.937 3.250 12.501) 14.215 10.159 ( 19.330 -18.552 -10.065) 28.620 10.159 ( 19.330 -18.552 10.065) 28.620 11.503 ( -12.763 2.788 -6.047) 14.395 11.503 ( -12.763 2.788 6.047) 14.395 11.839 ( -15.504 -2.051 -5.834) 16.692 11.839 ( -15.504 -2.051 5.834) 16.692 12.642 ( 0.768 -1.316 -3.087) 3.443 12.642 ( 0.768 -1.316 3.087) 3.443 13.033 ( 5.132 1.545 -4.049) 6.717 13.033 ( 5.132 1.545 4.049) 6.717 13.366 ( -5.004 4.011 -2.899) 7.038 13.366 ( -5.004 4.011 2.899) 7.038 13.820 ( 0.930 -4.021 -1.595) 4.424 13.820 ( 0.930 -4.021 1.595) 4.424 14.287 ( 1.611 0.360 -3.829) 4.169 14.287 ( 1.611 0.360 3.829) 4.169 14.833 ( -5.663 5.234 -1.817) 7.922 14.833 ( -5.663 5.234 1.817) 7.922 15.265 ( -4.156 3.850 -5.055) 7.592 15.265 ( -4.156 3.850 5.055) 7.592 16.005 ( 7.937 0.927 -6.391) 10.233 16.005 ( 7.937 0.927 6.391) 10.233 16.457 ( -2.016 -0.833 -7.673) 7.977 16.457 ( -2.016 -0.833 7.673) 7.977 22.892 ( -1.439 1.068 -2.722) 3.259 22.892 ( -1.439 1.068 2.722) 3.259 23.198 ( -0.578 5.545 -4.244) 7.007 23.198 ( -0.578 5.545 4.244) 7.007 23.660 ( 7.471 -0.760 -5.175) 9.120 23.660 ( 7.471 -0.760 5.175) 9.120 24.318 ( -2.897 -2.568 -14.186) 14.705 24.318 ( -2.897 -2.568 14.186) 14.705 ======================= Grid point 429 (134/150) ======================= q-point: ( 0.38 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( 7.036 8.284 -9.897) 14.700 3.557 ( 7.036 8.284 9.897) 14.700 3.812 ( 4.998 2.521 -7.387) 9.269 3.812 ( 4.998 2.521 7.387) 9.269 4.483 ( 3.577 -0.893 -1.347) 3.925 4.483 ( 3.577 -0.893 1.347) 3.925 5.171 ( -3.722 6.737 -7.852) 10.995 5.171 ( -3.722 6.737 7.852) 10.995 5.930 ( 5.640 -4.916 -8.244) 11.133 5.930 ( 5.640 -4.916 8.244) 11.133 6.772 ( -3.397 0.368 -1.568) 3.759 6.772 ( -3.397 0.368 1.568) 3.759 9.165 ( 3.661 -2.546 -2.877) 5.306 9.165 ( 3.661 -2.546 2.877) 5.306 9.628 ( 16.198 4.741 -3.139) 17.167 9.628 ( 16.198 4.741 3.139) 17.167 10.507 ( 14.836 -16.354 -7.737) 23.397 10.507 ( 14.836 -16.354 7.737) 23.397 11.174 ( -20.412 -0.019 -8.230) 22.009 11.174 ( -20.412 -0.019 8.230) 22.009 11.496 ( -15.640 -6.553 -8.172) 18.824 11.496 ( -15.640 -6.553 8.172) 18.824 12.676 ( 1.920 -1.312 -4.539) 5.100 12.676 ( 1.920 -1.312 4.539) 5.100 13.106 ( 1.924 3.615 -4.369) 5.988 13.106 ( 1.924 3.615 4.369) 5.988 13.295 ( -1.887 2.916 -1.358) 3.729 13.295 ( -1.887 2.916 1.358) 3.729 13.826 ( -0.082 -3.828 -1.527) 4.122 13.826 ( -0.082 -3.828 1.527) 4.122 14.323 ( 1.509 0.940 -2.418) 3.001 14.323 ( 1.509 0.940 2.418) 3.001 14.782 ( 0.330 4.471 -1.562) 4.748 14.782 ( 0.330 4.471 1.562) 4.748 15.164 ( -5.535 5.331 -3.076) 8.278 15.164 ( -5.535 5.331 3.076) 8.278 16.105 ( 2.364 2.072 -3.421) 4.646 16.105 ( 2.364 2.072 3.421) 4.646 16.446 ( 0.638 -2.870 -3.614) 4.658 16.446 ( 0.638 -2.870 3.614) 4.658 22.882 ( 0.110 1.842 -1.427) 2.333 22.882 ( 0.110 1.842 1.427) 2.333 23.177 ( -1.171 6.284 -2.975) 7.051 23.177 ( -1.171 6.284 2.975) 7.051 23.793 ( 5.246 -0.957 -5.127) 7.397 23.793 ( 5.246 -0.957 5.127) 7.397 24.262 ( -2.403 -3.519 -9.941) 10.815 24.262 ( -2.403 -3.519 9.941) 10.815 ======================= Grid point 431 (135/150) ======================= q-point: (-0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 0.000 7.465 -0.263) 7.470 3.636 ( -0.000 7.465 0.263) 7.470 3.856 ( 0.000 1.869 -2.317) 2.977 3.856 ( 0.000 1.869 2.317) 2.977 4.524 ( 0.000 -1.270 -0.824) 1.514 4.524 ( 0.000 -1.270 0.824) 1.514 5.132 ( 0.000 6.600 -7.117) 9.706 5.132 ( 0.000 6.600 7.117) 9.706 5.980 ( 0.000 -8.381 -4.878) 9.697 5.980 ( 0.000 -8.381 4.878) 9.697 6.745 ( 0.000 4.622 -0.439) 4.643 6.745 ( 0.000 4.622 0.439) 4.643 9.160 ( 0.000 1.225 -1.001) 1.581 9.160 ( 0.000 1.225 1.001) 1.581 9.922 ( 0.000 1.516 -1.497) 2.130 9.922 ( -0.000 1.516 1.497) 2.130 10.713 ( 0.000 -9.380 -1.752) 9.542 10.713 ( -0.000 -9.380 1.752) 9.542 10.837 ( 0.000 -3.587 -2.664) 4.468 10.837 ( 0.000 -3.587 2.664) 4.468 11.320 ( 0.000 -10.963 -3.646) 11.553 11.320 ( 0.000 -10.963 3.646) 11.553 12.698 ( 0.000 -1.824 -5.099) 5.415 12.698 ( 0.000 -1.824 5.099) 5.415 13.120 ( 0.000 6.290 -4.919) 7.985 13.120 ( 0.000 6.290 4.919) 7.985 13.281 ( 0.000 1.149 -0.196) 1.166 13.281 ( 0.000 1.149 0.196) 1.166 13.824 ( 0.000 -3.680 -1.374) 3.928 13.824 ( 0.000 -3.680 1.374) 3.928 14.338 ( 0.000 1.218 -1.983) 2.327 14.338 ( 0.000 1.218 1.983) 2.327 14.802 ( 0.000 3.280 -0.522) 3.321 14.802 ( -0.000 3.280 0.522) 3.321 15.092 ( 0.000 6.642 -1.189) 6.747 15.092 ( 0.000 6.642 1.189) 6.747 16.124 ( 0.000 2.469 -1.869) 3.096 16.124 ( 0.000 2.469 1.869) 3.096 16.457 ( 0.000 -3.625 -0.856) 3.725 16.457 ( 0.000 -3.625 0.856) 3.725 22.885 ( 0.000 2.143 -0.906) 2.327 22.885 ( 0.000 2.143 0.906) 2.327 23.163 ( 0.000 6.450 -1.713) 6.674 23.163 ( 0.000 6.450 1.713) 6.674 23.849 ( 0.000 -0.666 -1.294) 1.455 23.849 ( 0.000 -0.666 1.294) 1.455 24.235 ( -0.000 -4.129 -2.554) 4.855 24.235 ( 0.000 -4.129 2.554) 4.855 ======================= Grid point 441 (136/150) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.000 9.225 -18.494) 20.667 3.345 ( 0.000 9.225 18.494) 20.667 3.652 ( 0.000 16.317 -16.941) 23.521 3.652 ( 0.000 16.317 16.941) 23.521 4.390 ( 0.000 2.840 -5.761) 6.423 4.390 ( 0.000 2.840 5.761) 6.423 5.536 ( 0.000 1.924 -17.946) 18.049 5.536 ( 0.000 1.924 17.946) 18.049 5.673 ( 0.000 11.568 -11.605) 16.386 5.673 ( 0.000 11.568 11.605) 16.386 6.633 ( 0.000 -9.775 -13.249) 16.464 6.633 ( 0.000 -9.775 13.249) 16.464 8.734 ( 0.000 -11.643 -5.815) 13.014 8.734 ( 0.000 -11.643 5.815) 13.014 8.995 ( 0.000 -19.243 -8.683) 21.112 8.995 ( 0.000 -19.243 8.683) 21.112 9.776 ( 0.000 -4.515 -12.064) 12.881 9.776 ( 0.000 -4.515 12.064) 12.881 11.842 ( 0.000 -14.498 -7.858) 16.491 11.842 ( 0.000 -14.498 7.858) 16.491 12.069 ( 0.000 13.502 -4.328) 14.179 12.069 ( 0.000 13.502 4.328) 14.179 12.790 ( 0.000 6.309 -1.830) 6.569 12.790 ( 0.000 6.309 1.830) 6.569 12.882 ( 0.000 0.947 -4.361) 4.463 12.882 ( 0.000 0.947 4.361) 4.463 13.564 ( 0.000 -0.550 -3.680) 3.721 13.564 ( 0.000 -0.550 3.680) 3.721 13.654 ( 0.000 -4.932 -2.642) 5.595 13.654 ( 0.000 -4.932 2.642) 5.595 14.257 ( 0.000 -0.614 -8.456) 8.478 14.257 ( 0.000 -0.614 8.456) 8.478 15.235 ( 0.000 3.918 -4.154) 5.710 15.235 ( 0.000 3.918 4.154) 5.710 15.444 ( 0.000 6.941 -10.783) 12.824 15.444 ( 0.000 6.941 10.783) 12.824 15.673 ( 0.000 2.060 -8.229) 8.483 15.673 ( 0.000 2.060 8.229) 8.483 16.569 ( 0.000 1.531 -9.992) 10.108 16.569 ( 0.000 1.531 9.992) 10.108 22.992 ( 0.000 -0.233 -6.178) 6.183 22.992 ( 0.000 -0.233 6.178) 6.183 23.175 ( 0.000 0.540 -3.522) 3.563 23.175 ( 0.000 0.540 3.522) 3.563 23.571 ( 0.000 6.888 -3.852) 7.892 23.571 ( 0.000 6.888 3.852) 7.892 24.337 ( 0.000 -3.184 -15.646) 15.966 24.337 ( 0.000 -3.184 15.646) 15.966 ======================= Grid point 443 (137/150) ======================= q-point: ( 0.12 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 8.597 9.217 -17.490) 21.558 3.444 ( 8.597 9.217 17.490) 21.558 3.690 ( 4.026 14.906 -15.303) 21.739 3.690 ( 4.026 14.906 15.303) 21.739 4.393 ( 0.461 2.460 -5.067) 5.651 4.393 ( 0.461 2.460 5.067) 5.651 5.539 ( -1.915 6.101 -15.582) 16.844 5.539 ( -1.915 6.101 15.582) 16.844 5.669 ( 2.111 6.733 -10.165) 12.374 5.669 ( 2.111 6.733 10.165) 12.374 6.675 ( 2.876 -10.407 -11.311) 15.637 6.675 ( 2.876 -10.407 11.311) 15.637 8.652 ( -0.296 -7.610 -2.136) 7.910 8.652 ( -0.296 -7.610 2.136) 7.910 9.260 ( 19.089 -20.510 -8.409) 29.253 9.260 ( 19.089 -20.510 8.409) 29.253 9.739 ( -3.216 -3.824 -11.294) 12.350 9.739 ( -3.216 -3.824 11.294) 12.350 11.681 ( -12.744 -11.570 -7.618) 18.823 11.681 ( -12.744 -11.570 7.618) 18.823 12.120 ( -0.142 11.311 -5.287) 12.486 12.120 ( -0.142 11.311 5.287) 12.486 12.686 ( -5.439 2.823 -1.910) 6.419 12.686 ( -5.439 2.823 1.910) 6.419 12.962 ( 4.611 1.829 -3.127) 5.863 12.962 ( 4.611 1.829 3.127) 5.863 13.514 ( -4.068 0.162 -2.862) 4.976 13.514 ( -4.068 0.162 2.862) 4.976 13.682 ( 1.911 -5.621 -2.366) 6.391 13.682 ( 1.911 -5.621 2.366) 6.391 14.258 ( 0.304 -0.807 -7.216) 7.267 14.258 ( 0.304 -0.807 7.216) 7.267 15.131 ( -7.879 6.723 -3.328) 10.879 15.131 ( -7.879 6.723 3.328) 10.879 15.417 ( -1.586 6.208 -7.961) 10.219 15.417 ( -1.586 6.208 7.961) 10.219 15.814 ( 10.326 0.668 -7.282) 12.653 15.814 ( 10.326 0.668 7.282) 12.653 16.532 ( -3.404 1.350 -9.320) 10.014 16.532 ( -3.404 1.350 9.320) 10.014 22.956 ( -2.132 1.056 -4.347) 4.955 22.956 ( -2.132 1.056 4.347) 4.955 23.247 ( 5.155 1.424 -5.217) 7.471 23.247 ( 5.155 1.424 5.217) 7.471 23.585 ( 1.718 5.265 -3.060) 6.328 23.585 ( 1.718 5.265 3.060) 6.328 24.312 ( -2.490 -3.482 -15.283) 15.871 24.312 ( -2.490 -3.482 15.283) 15.871 ======================= Grid point 445 (138/150) ======================= q-point: ( 0.25 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 7.686 9.777 -13.538) 18.384 3.618 ( 7.686 9.777 13.538) 18.384 3.813 ( 7.373 11.265 -10.794) 17.256 3.813 ( 7.373 11.265 10.794) 17.256 4.417 ( 2.044 1.236 -3.839) 4.521 4.417 ( 2.044 1.236 3.839) 4.521 5.450 ( -5.534 9.750 -14.164) 18.064 5.450 ( -5.534 9.750 14.164) 18.064 5.765 ( 5.441 0.426 -11.593) 12.814 5.765 ( 5.441 0.426 11.593) 12.814 6.709 ( 0.805 -8.695 -7.067) 11.234 6.709 ( 0.805 -8.695 7.067) 11.234 8.814 ( 15.277 -3.748 -3.643) 16.146 8.814 ( 15.277 -3.748 3.643) 16.146 9.599 ( 6.458 -5.896 -11.016) 14.065 9.599 ( 6.458 -5.896 11.016) 14.065 9.739 ( 12.333 -15.662 -11.403) 22.966 9.739 ( 12.333 -15.662 11.403) 22.966 11.383 ( -16.653 -12.894 -7.960) 22.515 11.383 ( -16.653 -12.894 7.960) 22.515 11.934 ( -18.467 9.938 -6.118) 21.845 11.934 ( -18.467 9.938 6.118) 21.845 12.655 ( 1.756 2.187 -3.068) 4.157 12.655 ( 1.756 2.187 3.068) 4.157 13.049 ( 4.353 0.248 -3.204) 5.411 13.049 ( 4.353 0.248 3.204) 5.411 13.423 ( -4.558 0.787 -2.711) 5.362 13.423 ( -4.558 0.787 2.711) 5.362 13.714 ( 1.153 -5.915 -1.949) 6.334 13.714 ( 1.153 -5.915 1.949) 6.334 14.280 ( 1.941 -0.808 -4.815) 5.253 14.280 ( 1.941 -0.808 4.815) 5.253 14.993 ( -5.251 9.160 -2.522) 10.855 14.993 ( -5.251 9.160 2.522) 10.855 15.376 ( -2.761 6.673 -5.952) 9.358 15.376 ( -2.761 6.673 5.952) 9.358 16.006 ( 8.155 -1.105 -6.675) 10.597 16.006 ( 8.155 -1.105 6.675) 10.597 16.453 ( -3.869 0.711 -7.362) 8.347 16.453 ( -3.869 0.711 7.362) 8.347 22.935 ( 0.039 3.047 -2.949) 4.241 22.935 ( 0.039 3.047 2.949) 4.241 23.324 ( 2.011 5.437 -6.052) 8.380 23.324 ( 2.011 5.437 6.052) 8.380 23.653 ( 5.056 0.723 -2.434) 5.658 23.653 ( 5.056 0.723 2.434) 5.658 24.245 ( -3.978 -4.347 -13.982) 15.173 24.245 ( -3.978 -4.347 13.982) 15.173 ======================= Grid point 447 (139/150) ======================= q-point: ( 0.38 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( 5.034 8.509 -7.507) 12.413 3.746 ( 5.034 8.509 7.507) 12.413 3.933 ( 3.950 9.631 -6.261) 12.148 3.933 ( 3.950 9.631 6.261) 12.148 4.467 ( 2.527 -0.345 -2.569) 3.620 4.467 ( 2.527 -0.345 2.569) 3.620 5.350 ( -3.987 9.614 -12.956) 16.619 5.350 ( -3.987 9.614 12.956) 16.619 5.833 ( 1.087 -3.166 -9.443) 10.019 5.833 ( 1.087 -3.166 9.443) 10.019 6.743 ( 2.786 -3.849 -3.210) 5.734 6.743 ( 2.786 -3.849 3.210) 5.734 9.108 ( 9.251 -2.839 -2.399) 9.970 9.108 ( 9.251 -2.839 2.399) 9.970 9.702 ( 11.086 0.004 -1.461) 11.182 9.702 ( 11.086 0.004 1.461) 11.182 10.129 ( 21.297 -16.402 -6.955) 27.766 10.129 ( 21.297 -16.402 6.955) 27.766 11.038 ( -16.909 -13.305 -6.736) 22.546 11.038 ( -16.909 -13.305 6.736) 22.546 11.457 ( -26.593 4.315 -5.771) 27.552 11.457 ( -26.593 4.315 5.771) 27.552 12.698 ( 1.709 2.707 -4.448) 5.480 12.698 ( 1.709 2.707 4.448) 5.480 13.134 ( 3.704 -0.268 -3.489) 5.096 13.134 ( 3.704 -0.268 3.489) 5.096 13.346 ( -2.929 1.068 -2.453) 3.967 13.346 ( -2.929 1.068 2.453) 3.967 13.729 ( 0.426 -5.330 -1.302) 5.504 13.729 ( 0.426 -5.330 1.302) 5.504 14.324 ( 2.034 -0.530 -2.826) 3.522 14.324 ( 2.034 -0.530 2.826) 3.522 14.930 ( -1.225 8.969 -1.762) 9.223 14.930 ( -1.225 8.969 1.762) 9.223 15.308 ( -3.637 8.087 -3.421) 9.504 15.308 ( -3.637 8.087 3.421) 9.504 16.124 ( 3.527 -1.356 -6.243) 7.297 16.124 ( 3.527 -1.356 6.243) 7.297 16.398 ( -1.492 -0.702 -5.047) 5.309 16.398 ( -1.492 -0.702 5.047) 5.309 22.950 ( 1.092 4.744 -2.169) 5.329 22.950 ( 1.092 4.744 2.169) 5.329 23.334 ( -0.468 8.060 -4.803) 9.394 23.334 ( -0.468 8.060 4.803) 9.394 23.765 ( 5.308 -1.693 -4.177) 6.963 23.765 ( 5.308 -1.693 4.177) 6.963 24.164 ( -3.757 -5.671 -10.666) 12.651 24.164 ( -3.757 -5.671 10.666) 12.651 ======================= Grid point 449 (140/150) ======================= q-point: (-0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 0.000 7.365 -1.931) 7.613 3.801 ( -0.000 7.365 1.931) 7.613 3.970 ( 0.000 9.486 -1.884) 9.671 3.970 ( 0.000 9.486 1.884) 9.671 4.496 ( 0.000 -1.083 -0.014) 1.083 4.496 ( 0.000 -1.083 0.014) 1.083 5.307 ( 0.000 9.358 -11.847) 15.097 5.307 ( 0.000 9.358 11.847) 15.097 5.836 ( 0.000 -4.004 -7.905) 8.861 5.836 ( 0.000 -4.004 7.905) 8.861 6.782 ( 0.000 -2.027 -1.118) 2.315 6.782 ( 0.000 -2.027 1.118) 2.315 9.175 ( -0.000 -0.396 -1.589) 1.637 9.175 ( -0.000 -0.396 1.589) 1.637 9.895 ( -0.000 -6.013 -5.422) 8.096 9.895 ( -0.000 -6.013 5.422) 8.096 10.454 ( 0.000 -12.039 -6.586) 13.723 10.454 ( -0.000 -12.039 6.586) 13.723 10.801 ( 0.000 -1.975 -0.800) 2.131 10.801 ( 0.000 -1.975 0.800) 2.131 11.087 ( 0.000 -7.804 -0.517) 7.821 11.087 ( 0.000 -7.804 0.517) 7.821 12.715 ( 0.000 2.534 -4.817) 5.443 12.715 ( 0.000 2.534 4.817) 5.443 13.176 ( 0.000 -0.083 -4.168) 4.168 13.176 ( 0.000 -0.083 4.168) 4.168 13.315 ( 0.000 1.194 -1.281) 1.751 13.315 ( 0.000 1.194 1.281) 1.751 13.733 ( 0.000 -5.000 -0.988) 5.097 13.733 ( 0.000 -5.000 0.988) 5.097 14.346 ( 0.000 -0.242 -2.041) 2.055 14.346 ( 0.000 -0.242 2.041) 2.055 14.924 ( -0.000 7.856 -0.630) 7.881 14.924 ( -0.000 7.856 0.630) 7.881 15.263 ( 0.000 9.246 -0.770) 9.278 15.263 ( 0.000 9.246 0.770) 9.278 16.156 ( 0.000 -0.876 -6.521) 6.580 16.156 ( 0.000 -0.876 6.521) 6.580 16.386 ( 0.000 -1.762 -4.600) 4.926 16.386 ( 0.000 -1.762 4.600) 4.926 22.963 ( 0.000 5.452 -1.431) 5.637 22.963 ( 0.000 5.452 1.431) 5.637 23.326 ( 0.000 8.566 -3.416) 9.222 23.326 ( 0.000 8.566 3.416) 9.222 23.827 ( 0.000 -1.637 -2.135) 2.690 23.827 ( 0.000 -1.637 2.135) 2.690 24.119 ( -0.000 -6.706 -4.760) 8.223 24.119 ( 0.000 -6.706 4.760) 8.223 ======================= Grid point 459 (141/150) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 0.000 9.024 -15.113) 17.602 3.541 ( 0.000 9.024 15.113) 17.602 3.883 ( 0.000 6.421 -9.778) 11.698 3.883 ( 0.000 6.421 9.778) 11.698 4.493 ( 0.000 5.818 -7.572) 9.549 4.493 ( 0.000 5.818 7.572) 9.549 5.568 ( 0.000 1.019 -10.362) 10.412 5.568 ( 0.000 1.019 10.362) 10.412 5.914 ( 0.000 10.412 -12.401) 16.193 5.914 ( 0.000 10.412 12.401) 16.193 6.417 ( 0.000 -10.101 -13.323) 16.720 6.417 ( 0.000 -10.101 13.323) 16.720 8.590 ( 0.000 -1.356 -6.918) 7.050 8.590 ( 0.000 -1.356 6.918) 7.050 8.656 ( 0.000 -12.808 -7.233) 14.710 8.656 ( 0.000 -12.808 7.233) 14.710 9.649 ( 0.000 -7.482 -8.517) 11.337 9.649 ( 0.000 -7.482 8.517) 11.337 11.535 ( 0.000 -14.104 -5.953) 15.309 11.535 ( 0.000 -14.104 5.953) 15.309 12.274 ( 0.000 6.408 -3.222) 7.173 12.274 ( 0.000 6.408 3.222) 7.173 12.900 ( 0.000 0.829 -7.120) 7.168 12.900 ( 0.000 0.829 7.120) 7.168 12.952 ( 0.000 8.564 -2.944) 9.056 12.952 ( 0.000 8.564 2.944) 9.056 13.525 ( 0.000 -2.702 -3.397) 4.341 13.525 ( 0.000 -2.702 3.397) 4.341 13.551 ( 0.000 -4.765 -2.741) 5.497 13.551 ( 0.000 -4.765 2.741) 5.497 14.243 ( 0.000 -0.709 -10.262) 10.287 14.243 ( 0.000 -0.709 10.262) 10.287 15.257 ( 0.000 -0.294 -5.122) 5.131 15.257 ( 0.000 -0.294 5.122) 5.131 15.652 ( 0.000 10.635 -8.342) 13.516 15.652 ( 0.000 10.635 8.342) 13.516 15.713 ( 0.000 1.678 -5.856) 6.091 15.713 ( 0.000 1.678 5.856) 6.091 16.597 ( 0.000 1.048 -9.616) 9.673 16.597 ( 0.000 1.048 9.616) 9.673 22.987 ( 0.000 -0.215 -5.461) 5.465 22.987 ( 0.000 -0.215 5.461) 5.465 23.175 ( 0.000 -0.352 -2.422) 2.448 23.175 ( 0.000 -0.352 2.422) 2.448 23.733 ( 0.000 8.129 -5.804) 9.988 23.733 ( 0.000 8.129 5.804) 9.988 24.260 ( 0.000 -4.206 -14.552) 15.147 24.260 ( 0.000 -4.206 14.552) 15.147 ======================= Grid point 461 (142/150) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 8.177 8.745 -13.371) 17.948 3.636 ( 8.177 8.745 13.371) 17.948 3.918 ( 3.742 6.989 -9.531) 12.397 3.918 ( 3.742 6.989 9.531) 12.397 4.482 ( -0.926 5.173 -7.139) 8.865 4.482 ( -0.926 5.173 7.139) 8.865 5.604 ( 2.615 1.117 -11.348) 11.699 5.604 ( 2.615 1.117 11.348) 11.699 5.862 ( -3.893 9.811 -9.159) 13.974 5.862 ( -3.893 9.811 9.159) 13.974 6.452 ( 2.747 -10.326 -12.452) 16.408 6.452 ( 2.747 -10.326 12.452) 16.408 8.574 ( 4.598 0.253 -4.090) 6.160 8.574 ( 4.598 0.253 4.090) 6.160 8.887 ( 16.678 -14.104 -7.246) 23.013 8.887 ( 16.678 -14.104 7.246) 23.013 9.634 ( -1.096 -6.278 -8.228) 10.407 9.634 ( -1.096 -6.278 8.228) 10.407 11.397 ( -12.428 -13.668 -5.976) 19.416 11.397 ( -12.428 -13.668 5.976) 19.416 12.329 ( 2.059 7.448 -4.329) 8.857 12.329 ( 2.059 7.448 4.329) 8.857 12.769 ( -8.177 4.633 -2.838) 9.817 12.769 ( -8.177 4.633 2.838) 9.817 13.008 ( 2.270 2.759 -3.907) 5.294 13.008 ( 2.270 2.759 3.907) 5.294 13.474 ( -3.645 -3.978 -1.815) 5.693 13.474 ( -3.645 -3.978 1.815) 5.693 13.574 ( 1.140 -4.036 -3.119) 5.227 13.574 ( 1.140 -4.036 3.119) 5.227 14.241 ( 0.226 -0.724 -8.600) 8.634 14.241 ( 0.226 -0.724 8.600) 8.634 15.235 ( -2.255 3.489 -5.619) 6.988 15.235 ( -2.255 3.489 5.619) 6.988 15.560 ( -3.985 5.641 -4.047) 8.004 15.560 ( -3.985 5.641 4.047) 8.004 15.845 ( 7.697 3.067 -4.452) 9.406 15.845 ( 7.697 3.067 4.452) 9.406 16.559 ( -3.489 1.067 -8.947) 9.662 16.559 ( -3.489 1.067 8.947) 9.662 22.985 ( 0.337 1.560 -4.405) 4.685 22.985 ( 0.337 1.560 4.405) 4.685 23.244 ( 5.914 -1.222 -4.373) 7.457 23.244 ( 5.914 -1.222 4.373) 7.457 23.728 ( -0.462 7.695 -5.509) 9.475 23.728 ( -0.462 7.695 5.509) 9.475 24.228 ( -3.046 -4.445 -14.241) 15.227 24.228 ( -3.046 -4.445 14.241) 15.227 ======================= Grid point 463 (143/150) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 6.757 7.548 -7.103) 12.373 3.797 ( 6.757 7.548 7.103) 12.373 4.039 ( 7.601 9.250 -8.852) 14.890 4.039 ( 7.601 9.250 8.852) 14.890 4.465 ( -0.415 3.088 -5.967) 6.732 4.465 ( -0.415 3.088 5.967) 6.732 5.603 ( -3.625 3.394 -15.285) 16.072 5.603 ( -3.625 3.394 15.285) 16.072 5.829 ( 1.139 6.902 -6.373) 9.463 5.829 ( 1.139 6.902 6.373) 9.463 6.514 ( 3.734 -9.813 -9.339) 14.052 6.514 ( 3.734 -9.813 9.339) 14.052 8.782 ( 14.643 0.741 -3.361) 15.042 8.782 ( 14.643 0.741 3.361) 15.042 9.254 ( 17.723 -17.078 -8.026) 25.888 9.254 ( 17.723 -17.078 8.026) 25.888 9.656 ( 6.345 -1.332 -7.361) 9.809 9.656 ( 6.345 -1.332 7.361) 9.809 11.087 ( -17.785 -13.892 -6.152) 23.391 11.087 ( -17.785 -13.892 6.152) 23.391 12.153 ( -20.970 10.003 -4.959) 23.757 12.153 ( -20.970 10.003 4.959) 23.757 12.710 ( 2.320 2.632 -3.466) 4.932 12.710 ( 2.320 2.632 3.466) 4.932 13.048 ( 2.362 -0.459 -4.454) 5.062 13.048 ( 2.362 -0.459 4.454) 5.062 13.399 ( -3.434 -2.573 -0.797) 4.365 13.399 ( -3.434 -2.573 0.797) 4.365 13.595 ( 1.046 -4.966 -2.630) 5.716 13.595 ( 1.046 -4.966 2.630) 5.716 14.265 ( 2.138 -0.529 -5.334) 5.771 14.265 ( 2.138 -0.529 5.334) 5.771 15.175 ( -3.272 8.172 -5.001) 10.124 15.175 ( -3.272 8.172 5.001) 10.124 15.504 ( -2.231 3.967 -5.151) 6.874 15.504 ( -2.231 3.967 5.151) 6.874 15.980 ( 5.436 -0.361 -5.735) 7.910 15.980 ( 5.436 -0.361 5.735) 7.910 16.479 ( -3.958 1.320 -6.855) 8.025 16.479 ( -3.958 1.320 6.855) 8.025 23.014 ( 2.525 4.380 -3.872) 6.369 23.014 ( 2.525 4.380 3.872) 6.369 23.374 ( 6.340 -0.759 -7.488) 9.841 23.374 ( 6.340 -0.759 7.488) 9.841 23.719 ( -0.140 5.530 -4.312) 7.014 23.719 ( -0.140 5.530 4.312) 7.014 24.146 ( -4.924 -5.022 -13.037) 14.813 24.146 ( -4.924 -5.022 13.037) 14.813 ======================= Grid point 465 (144/150) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 4.140 6.833 -2.671) 8.424 3.904 ( 4.140 6.833 2.671) 8.424 4.159 ( 3.428 10.643 -5.972) 12.677 4.159 ( 3.428 10.643 5.972) 12.677 4.475 ( 1.283 0.987 -3.872) 4.197 4.475 ( 1.283 0.987 3.872) 4.197 5.511 ( -4.220 4.830 -12.755) 14.276 5.511 ( -4.220 4.830 12.755) 14.276 5.857 ( 0.816 6.195 -7.098) 9.456 5.857 ( 0.816 6.195 7.098) 9.456 6.602 ( 4.435 -9.551 -4.829) 11.585 6.602 ( 4.435 -9.551 4.829) 11.585 9.051 ( 9.223 -2.436 -1.313) 9.629 9.051 ( 9.223 -2.436 1.313) 9.629 9.507 ( 10.423 -15.704 -5.932) 19.760 9.507 ( 10.423 -15.704 5.932) 19.760 10.007 ( 24.987 2.729 -3.301) 25.351 10.007 ( 24.987 2.729 3.301) 25.351 10.736 ( -14.498 -14.003 -5.077) 20.785 10.736 ( -14.498 -14.003 5.077) 20.785 11.597 ( -32.190 7.559 -3.883) 33.293 11.597 ( -32.190 7.559 3.883) 33.293 12.758 ( 1.567 2.759 -4.239) 5.295 12.758 ( 1.567 2.759 4.239) 5.295 13.108 ( 3.115 -2.213 -4.547) 5.940 13.108 ( 3.115 -2.213 4.547) 5.940 13.347 ( -1.737 -0.226 -1.193) 2.120 13.347 ( -1.737 -0.226 1.193) 2.120 13.614 ( 0.758 -5.423 -1.702) 5.734 13.614 ( 0.758 -5.423 1.702) 5.734 14.313 ( 2.248 -0.412 -2.678) 3.520 14.313 ( 2.248 -0.411 2.678) 3.520 15.121 ( -1.909 9.210 -3.429) 10.011 15.121 ( -1.909 9.210 3.429) 10.011 15.457 ( -2.294 4.798 -3.959) 6.630 15.457 ( -2.294 4.798 3.959) 6.630 16.058 ( 2.466 -3.430 -7.031) 8.203 16.058 ( 2.466 -3.430 7.031) 8.203 16.419 ( -1.889 1.824 -5.017) 5.662 16.419 ( -1.889 1.824 5.017) 5.662 23.073 ( 2.844 6.882 -3.332) 8.158 23.073 ( 2.844 6.882 3.332) 8.158 23.468 ( 2.548 3.488 -8.868) 9.864 23.468 ( 2.548 3.488 8.868) 9.864 23.736 ( 1.947 -0.380 -2.004) 2.820 23.736 ( 1.947 -0.380 2.004) 2.820 24.045 ( -4.701 -5.335 -9.892) 12.183 24.045 ( -4.701 -5.335 9.892) 12.183 ======================= Grid point 467 (145/150) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( 0.000 6.869 -1.999) 7.153 3.950 ( 0.000 6.869 1.999) 7.153 4.186 ( 0.000 9.908 -1.721) 10.057 4.186 ( 0.000 9.908 1.721) 10.057 4.494 ( 0.000 0.909 -1.682) 1.912 4.494 ( 0.000 0.909 1.682) 1.912 5.465 ( 0.000 5.118 -10.076) 11.301 5.465 ( 0.000 5.118 10.076) 11.301 5.863 ( 0.000 6.810 -6.712) 9.561 5.863 ( 0.000 6.810 6.712) 9.561 6.654 ( 0.000 -9.940 -1.812) 10.104 6.654 ( 0.000 -9.940 1.812) 10.104 9.130 ( -0.000 -3.570 -1.333) 3.811 9.130 ( -0.000 -3.570 1.333) 3.811 9.664 ( -0.000 -14.387 -4.316) 15.020 9.664 ( 0.000 -14.387 4.316) 15.020 10.275 ( 0.000 -5.226 -6.448) 8.300 10.275 ( -0.000 -5.226 6.448) 8.300 10.739 ( 0.000 -2.715 -1.385) 3.048 10.739 ( -0.000 -2.715 1.385) 3.048 11.067 ( 0.000 3.822 -0.078) 3.823 11.067 ( 0.000 3.822 0.078) 3.823 12.772 ( 0.000 2.658 -4.353) 5.101 12.772 ( 0.000 2.658 4.353) 5.101 13.144 ( 0.000 -2.809 -5.009) 5.743 13.144 ( 0.000 -2.809 5.009) 5.743 13.330 ( 0.000 0.925 -0.800) 1.223 13.330 ( 0.000 0.925 0.800) 1.223 13.622 ( 0.000 -5.444 -1.341) 5.607 13.622 ( 0.000 -5.444 1.341) 5.607 14.338 ( 0.000 -0.387 -1.583) 1.630 14.338 ( 0.000 -0.387 1.583) 1.630 15.102 ( -0.000 9.003 -2.766) 9.418 15.102 ( 0.000 9.003 2.766) 9.418 15.430 ( 0.000 5.465 -0.445) 5.483 15.430 ( 0.000 5.465 0.445) 5.483 16.082 ( 0.000 -4.495 -7.622) 8.849 16.082 ( 0.000 -4.495 7.622) 8.849 16.401 ( 0.000 2.023 -5.114) 5.499 16.401 ( 0.000 2.023 5.114) 5.499 23.105 ( 0.000 8.022 -2.191) 8.316 23.105 ( 0.000 8.022 2.191) 8.316 23.487 ( 0.000 6.200 -7.134) 9.451 23.487 ( 0.000 6.200 7.134) 9.451 23.768 ( 0.000 -4.384 -0.944) 4.485 23.768 ( 0.000 -4.384 0.944) 4.485 23.988 ( -0.000 -4.971 -4.512) 6.713 23.988 ( -0.000 -4.971 4.512) 6.713 ======================= Grid point 477 (146/150) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 0.000 3.968 -12.000) 12.639 3.684 ( 0.000 3.968 12.000) 12.639 3.959 ( 0.000 1.613 -4.652) 4.923 3.959 ( 0.000 1.613 4.652) 4.923 4.581 ( 0.000 2.211 -3.544) 4.178 4.581 ( 0.000 2.212 3.544) 4.178 5.576 ( 0.000 -0.094 -2.443) 2.444 5.576 ( 0.000 -0.094 2.443) 2.444 6.062 ( 0.000 3.536 -11.468) 12.001 6.062 ( 0.000 3.536 11.468) 12.001 6.260 ( 0.000 -4.213 -13.309) 13.960 6.260 ( 0.000 -4.213 13.309) 13.960 8.478 ( 0.000 -4.302 -4.011) 5.882 8.478 ( 0.000 -4.302 4.011) 5.882 8.648 ( 0.000 4.285 -9.235) 10.181 8.648 ( 0.000 4.285 9.235) 10.181 9.496 ( 0.000 -5.713 -3.737) 6.827 9.496 ( 0.000 -5.713 3.737) 6.827 11.313 ( 0.000 -6.108 -2.301) 6.527 11.313 ( 0.000 -6.108 2.301) 6.527 12.353 ( 0.000 1.655 -2.426) 2.937 12.353 ( 0.000 1.655 2.426) 2.937 12.913 ( 0.000 0.399 -8.982) 8.991 12.913 ( 0.000 0.399 8.982) 8.991 13.098 ( 0.000 4.377 -2.086) 4.848 13.098 ( 0.000 4.377 2.086) 4.848 13.471 ( 0.000 -2.437 -1.429) 2.825 13.471 ( 0.000 -2.437 1.429) 2.825 13.476 ( 0.000 -1.481 -2.631) 3.019 13.476 ( 0.000 -1.481 2.631) 3.019 14.231 ( 0.000 -0.338 -11.522) 11.527 14.231 ( 0.000 -0.338 11.522) 11.527 15.250 ( 0.000 -0.235 -7.421) 7.425 15.250 ( 0.000 -0.235 7.421) 7.425 15.737 ( 0.000 0.633 -3.247) 3.308 15.737 ( 0.000 0.633 3.247) 3.308 15.819 ( 0.000 4.533 -7.534) 8.793 15.819 ( 0.000 4.533 7.534) 8.793 16.610 ( 0.000 0.227 -9.443) 9.446 16.610 ( 0.000 0.227 9.443) 9.446 22.984 ( 0.000 -0.088 -4.925) 4.926 22.984 ( 0.000 -0.088 4.925) 4.926 23.168 ( 0.000 -0.226 -1.008) 1.033 23.168 ( 0.000 -0.226 1.008) 1.033 23.877 ( 0.000 4.763 -4.336) 6.441 23.877 ( 0.000 4.763 4.336) 6.441 24.176 ( 0.000 -3.161 -12.475) 12.869 24.176 ( 0.000 -3.161 12.475) 12.869 ======================= Grid point 479 (147/150) ======================= q-point: ( 0.12 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( 7.544 3.858 -9.303) 12.584 3.775 ( 7.544 3.858 9.303) 12.584 4.005 ( 5.130 1.963 -3.464) 6.494 4.005 ( 5.130 1.963 3.464) 6.494 4.563 ( -1.745 2.078 -3.493) 4.423 4.563 ( -1.745 2.078 3.493) 4.423 5.610 ( 2.625 -0.117 -3.534) 4.404 5.610 ( 2.625 -0.117 3.534) 4.404 6.015 ( -3.404 4.194 -6.763) 8.655 6.015 ( -3.404 4.194 6.763) 8.655 6.286 ( 2.031 -4.811 -13.780) 14.737 6.286 ( 2.031 -4.811 13.780) 14.737 8.592 ( 10.071 -1.010 -2.666) 10.467 8.592 ( 10.071 -1.010 2.666) 10.467 8.739 ( 9.624 0.202 -7.242) 12.046 8.739 ( 9.624 0.202 7.242) 12.046 9.503 ( 1.458 -4.877 -3.495) 6.174 9.503 ( 1.458 -4.877 3.495) 6.174 11.181 ( -12.178 -5.954 -2.389) 13.765 11.181 ( -12.178 -5.954 2.389) 13.765 12.423 ( 4.646 2.043 -3.337) 6.074 12.423 ( 4.646 2.043 3.337) 6.074 12.845 ( -7.107 2.055 -6.079) 9.575 12.845 ( -7.107 2.055 6.079) 9.575 13.068 ( -2.673 2.339 -2.022) 4.087 13.068 ( -2.673 2.339 2.022) 4.087 13.384 ( -3.626 -3.275 -1.028) 4.993 13.384 ( -3.626 -3.275 1.028) 4.993 13.523 ( 0.872 -1.122 -2.212) 2.629 13.523 ( 0.872 -1.122 2.212) 2.629 14.230 ( 0.371 -0.286 -9.518) 9.530 14.230 ( 0.371 -0.286 9.518) 9.530 15.285 ( 2.852 1.279 -8.765) 9.305 15.285 ( 2.852 1.279 8.765) 9.305 15.616 ( -7.067 0.619 -1.477) 7.246 15.616 ( -7.067 0.619 1.477) 7.246 15.926 ( 5.646 3.066 -4.407) 7.791 15.926 ( 5.646 3.066 4.407) 7.791 16.572 ( -3.449 0.202 -8.724) 9.383 16.572 ( -3.449 0.202 8.724) 9.383 23.013 ( 2.915 0.906 -4.920) 5.790 23.013 ( 2.915 0.906 4.920) 5.790 23.217 ( 4.521 -0.957 -1.800) 4.959 23.217 ( 4.521 -0.957 1.800) 4.959 23.869 ( -0.862 4.831 -4.378) 6.576 23.869 ( -0.862 4.831 4.378) 6.576 24.140 ( -3.502 -3.398 -12.318) 13.249 24.140 ( -3.502 -3.398 12.318) 13.249 ======================= Grid point 481 (148/150) ======================= q-point: ( 0.25 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 5.559 3.033 -1.795) 6.582 3.912 ( 5.559 3.033 1.795) 6.582 4.175 ( 10.613 3.690 -5.125) 12.349 4.175 ( 10.613 3.690 5.125) 12.349 4.517 ( -2.589 1.349 -4.749) 5.575 4.517 ( -2.589 1.349 4.749) 5.575 5.629 ( -1.594 0.398 -10.181) 10.313 5.629 ( -1.594 0.398 10.181) 10.313 5.984 ( 0.998 5.630 -1.942) 6.039 5.984 ( 0.998 5.630 1.942) 6.039 6.333 ( 2.702 -6.289 -11.423) 13.317 6.333 ( 2.702 -6.289 11.423) 13.317 8.823 ( 12.455 2.082 -3.005) 12.981 8.823 ( 12.455 2.082 3.005) 12.981 9.002 ( 13.294 -6.632 -4.232) 15.447 9.002 ( 13.294 -6.632 4.232) 15.447 9.626 ( 13.941 -1.175 -2.912) 14.291 9.626 ( 13.941 -1.175 2.912) 14.291 10.869 ( -18.160 -5.946 -2.768) 19.308 10.869 ( -18.160 -5.946 2.768) 19.308 12.310 ( -20.894 4.334 -4.542) 21.817 12.310 ( -20.894 4.334 4.542) 21.817 12.752 ( 1.760 1.199 -3.489) 4.087 12.752 ( 1.760 1.199 3.489) 4.087 13.030 ( -0.344 -0.937 -4.104) 4.223 13.030 ( -0.344 -0.937 4.104) 4.223 13.350 ( -0.264 -1.512 -1.682) 2.277 13.350 ( -0.264 -1.512 1.682) 2.277 13.525 ( -0.272 -1.736 -3.183) 3.636 13.525 ( -0.272 -1.736 3.183) 3.636 14.258 ( 2.303 -0.159 -5.535) 5.997 14.258 ( 2.303 -0.159 5.535) 5.997 15.327 ( 0.476 5.929 -8.736) 10.569 15.327 ( 0.476 5.929 8.736) 10.569 15.503 ( -3.761 -3.015 -3.947) 6.230 15.503 ( -3.761 -3.015 3.947) 6.230 16.006 ( 2.257 1.741 -5.769) 6.435 16.006 ( 2.257 1.741 5.769) 6.435 16.496 ( -3.506 0.313 -6.192) 7.123 16.496 ( -3.506 0.313 6.192) 7.123 23.099 ( 5.470 3.055 -4.824) 7.907 23.099 ( 5.470 3.055 4.824) 7.907 23.330 ( 6.319 -2.285 -4.154) 7.900 23.330 ( 6.319 -2.285 4.154) 7.900 23.839 ( -2.327 4.687 -4.380) 6.824 23.839 ( -2.327 4.687 4.380) 6.824 24.048 ( -5.210 -3.857 -10.980) 12.751 24.048 ( -5.210 -3.857 10.980) 12.751 ======================= Grid point 483 (149/150) ======================= q-point: ( 0.38 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( 3.961 2.587 -2.663) 5.429 4.007 ( 3.961 2.587 2.663) 5.429 4.339 ( 3.635 5.928 -4.154) 8.100 4.339 ( 3.635 5.928 4.154) 8.100 4.486 ( 0.694 -0.426 -5.051) 5.116 4.486 ( 0.694 -0.426 5.051) 5.116 5.571 ( -3.037 1.640 -8.219) 8.914 5.571 ( -3.037 1.640 8.219) 8.914 6.027 ( 2.229 7.598 -2.729) 8.375 6.027 ( 2.229 7.598 2.729) 8.375 6.390 ( 2.631 -8.861 -5.928) 10.981 6.390 ( 2.631 -8.861 5.928) 10.981 9.028 ( 5.425 0.434 -0.903) 5.517 9.028 ( 5.425 0.434 0.903) 5.517 9.230 ( 12.330 -8.854 -4.804) 15.921 9.230 ( 12.330 -8.854 4.804) 15.921 10.098 ( 28.983 4.092 -3.546) 29.484 10.098 ( 28.983 4.092 3.546) 29.484 10.505 ( -15.095 -7.228 -2.810) 16.970 10.505 ( -15.095 -7.228 2.810) 16.970 11.721 ( -34.480 3.566 -3.351) 34.826 11.721 ( -34.480 3.566 3.351) 34.826 12.803 ( 1.640 1.316 -2.550) 3.305 12.803 ( 1.640 1.316 2.550) 3.305 13.055 ( 2.145 -2.061 -3.227) 4.388 13.055 ( 2.145 -2.061 3.227) 4.388 13.354 ( 0.471 0.727 -1.583) 1.805 13.354 ( 0.471 0.727 1.583) 1.805 13.523 ( 0.141 -2.799 -2.506) 3.760 13.523 ( 0.141 -2.799 2.506) 3.760 14.308 ( 2.236 -0.136 -2.269) 3.189 14.308 ( 2.236 -0.136 2.269) 3.189 15.303 ( -1.893 7.988 -4.484) 9.354 15.303 ( -1.893 7.988 4.484) 9.354 15.461 ( -1.039 -3.994 -5.842) 7.153 15.461 ( -1.039 -3.994 5.842) 7.153 16.025 ( 0.168 -0.041 -5.738) 5.741 16.025 ( 0.168 -0.041 5.738) 5.741 16.447 ( -1.399 0.683 -3.083) 3.453 16.447 ( -1.399 0.683 3.083) 3.453 23.213 ( 5.283 5.619 -3.997) 8.687 23.213 ( 5.283 5.619 3.997) 8.687 23.453 ( 5.768 -3.239 -8.096) 10.454 23.453 ( 5.768 -3.239 8.096) 10.454 23.765 ( -5.001 2.077 -6.063) 8.129 23.765 ( -5.001 2.077 6.063) 8.129 23.959 ( -3.105 -2.648 -5.627) 6.951 23.959 ( -3.105 -2.648 5.627) 6.951 ======================= Grid point 485 (150/150) ======================= q-point: (-0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 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 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 0.000 2.494 -0.707) 2.592 4.052 ( 0.000 2.494 0.707) 2.592 4.351 ( 0.000 5.248 -1.935) 5.594 4.351 ( 0.000 5.248 1.936) 5.594 4.513 ( 0.000 0.293 -2.387) 2.405 4.513 ( 0.000 0.293 2.387) 2.405 5.537 ( 0.000 2.173 -2.577) 3.371 5.537 ( 0.000 2.173 2.577) 3.371 6.051 ( 0.000 8.838 -1.551) 8.973 6.051 ( 0.000 8.838 1.551) 8.973 6.419 ( 0.000 -10.388 -0.790) 10.418 6.419 ( 0.000 -10.388 0.790) 10.418 9.067 ( 0.000 -1.731 -0.349) 1.766 9.067 ( -0.000 -1.731 0.349) 1.766 9.409 ( 0.000 -7.793 -1.077) 7.867 9.409 ( 0.000 -7.793 1.077) 7.867 10.218 ( 0.000 -0.945 -1.833) 2.062 10.218 ( -0.000 -0.945 1.833) 2.062 10.706 ( -0.000 -0.664 -0.758) 1.008 10.706 ( -0.000 -0.664 0.758) 1.008 11.151 ( 0.000 2.812 -0.223) 2.821 11.151 ( 0.000 2.812 0.223) 2.821 12.816 ( 0.000 1.367 -2.278) 2.657 12.816 ( 0.000 1.367 2.278) 2.657 13.081 ( 0.000 -2.283 -2.708) 3.542 13.081 ( 0.000 -2.283 2.708) 3.542 13.361 ( 0.000 1.573 -1.483) 2.162 13.361 ( 0.000 1.573 1.483) 2.162 13.526 ( 0.000 -3.212 -1.444) 3.522 13.526 ( 0.000 -3.212 1.444) 3.522 14.332 ( 0.000 -0.162 -0.624) 0.645 14.332 ( 0.000 -0.162 0.624) 0.645 15.281 ( -0.000 7.540 -3.137) 8.166 15.281 ( 0.000 7.540 3.137) 8.166 15.450 ( 0.000 -3.056 -1.901) 3.599 15.450 ( 0.000 -3.056 1.901) 3.599 16.026 ( 0.000 -0.870 -3.292) 3.405 16.026 ( 0.000 -0.870 3.292) 3.405 16.434 ( 0.000 0.868 -2.053) 2.229 16.434 ( 0.000 0.868 2.053) 2.229 23.274 ( 0.000 7.052 -2.877) 7.616 23.274 ( 0.000 7.052 2.877) 7.616 23.532 ( 0.000 -2.627 -9.943) 10.284 23.532 ( 0.000 -2.627 9.943) 10.284 23.687 ( -0.000 -1.386 -6.268) 6.419 23.687 ( -0.000 -1.386 6.268) 6.419 23.929 ( 0.000 -1.145 -0.988) 1.512 23.929 ( 0.000 -1.145 0.988) 1.512 =================== 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 5921.602 9560.575 6554.839 0.000 0.000 0.000 3/34560 20.0 2398.561 2471.965 2675.157 0.000 0.000 0.000 3/34560 30.0 1091.538 985.343 1179.855 0.000 0.000 0.000 3/34560 40.0 593.083 500.790 631.472 0.000 0.000 0.000 3/34560 50.0 374.053 302.816 393.620 0.000 0.000 0.000 3/34560 60.0 256.626 203.578 270.761 0.000 0.000 0.000 3/34560 70.0 184.987 145.832 198.090 0.000 0.000 0.000 3/34560 80.0 138.175 108.950 151.050 0.000 0.000 0.000 3/34560 90.0 106.384 84.045 118.829 0.000 0.000 0.000 3/34560 100.0 84.186 66.613 95.926 0.000 0.000 0.000 3/34560 110.0 68.302 54.079 79.195 0.000 0.000 0.000 3/34560 120.0 56.669 44.856 66.689 0.000 0.000 0.000 3/34560 130.0 47.958 37.924 57.147 0.000 0.000 0.000 3/34560 140.0 41.294 32.608 49.727 0.000 0.000 0.000 3/34560 150.0 36.096 28.454 43.853 0.000 0.000 0.000 3/34560 160.0 31.967 25.152 39.126 0.000 0.000 0.000 3/34560 170.0 28.631 22.484 35.264 0.000 0.000 0.000 3/34560 180.0 25.894 20.296 32.066 0.000 0.000 0.000 3/34560 190.0 23.619 18.479 29.383 0.000 0.000 0.000 3/34560 200.0 21.703 16.950 27.106 0.000 0.000 0.000 3/34560 210.0 20.072 15.649 25.155 0.000 0.000 0.000 3/34560 220.0 18.668 14.532 23.466 0.000 0.000 0.000 3/34560 230.0 17.450 13.564 21.993 0.000 0.000 0.000 3/34560 240.0 16.383 12.717 20.696 0.000 0.000 0.000 3/34560 250.0 15.442 11.971 19.547 0.000 0.000 0.000 3/34560 260.0 14.606 11.309 18.523 0.000 0.000 0.000 3/34560 270.0 13.859 10.719 17.605 0.000 0.000 0.000 3/34560 280.0 13.187 10.189 16.776 0.000 0.000 0.000 3/34560 290.0 12.580 9.710 16.025 0.000 0.000 0.000 3/34560 300.0 12.029 9.277 15.342 0.000 0.000 0.000 3/34560 310.0 11.526 8.881 14.717 0.000 0.000 0.000 3/34560 320.0 11.066 8.520 14.143 0.000 0.000 0.000 3/34560 330.0 10.643 8.188 13.614 0.000 0.000 0.000 3/34560 340.0 10.252 7.882 13.126 0.000 0.000 0.000 3/34560 350.0 9.890 7.599 12.673 0.000 0.000 0.000 3/34560 360.0 9.555 7.337 12.252 0.000 0.000 0.000 3/34560 370.0 9.242 7.093 11.859 0.000 0.000 0.000 3/34560 380.0 8.951 6.865 11.492 0.000 0.000 0.000 3/34560 390.0 8.678 6.653 11.148 0.000 0.000 0.000 3/34560 400.0 8.422 6.454 10.825 0.000 0.000 0.000 3/34560 410.0 8.182 6.267 10.521 0.000 0.000 0.000 3/34560 420.0 7.955 6.091 10.235 0.000 0.000 0.000 3/34560 430.0 7.742 5.925 9.965 0.000 0.000 0.000 3/34560 440.0 7.540 5.768 9.709 0.000 0.000 0.000 3/34560 450.0 7.349 5.620 9.466 0.000 0.000 0.000 3/34560 460.0 7.167 5.480 9.236 0.000 0.000 0.000 3/34560 470.0 6.995 5.346 9.017 0.000 0.000 0.000 3/34560 480.0 6.832 5.220 8.809 0.000 0.000 0.000 3/34560 490.0 6.676 5.099 8.611 0.000 0.000 0.000 3/34560 500.0 6.527 4.984 8.422 0.000 0.000 0.000 3/34560 510.0 6.385 4.875 8.241 0.000 0.000 0.000 3/34560 520.0 6.250 4.770 8.068 0.000 0.000 0.000 3/34560 530.0 6.120 4.670 7.903 0.000 0.000 0.000 3/34560 540.0 5.996 4.574 7.744 0.000 0.000 0.000 3/34560 550.0 5.877 4.482 7.592 0.000 0.000 0.000 3/34560 560.0 5.762 4.394 7.446 0.000 0.000 0.000 3/34560 570.0 5.653 4.310 7.306 0.000 0.000 0.000 3/34560 580.0 5.547 4.229 7.171 0.000 0.000 0.000 3/34560 590.0 5.446 4.151 7.041 0.000 0.000 0.000 3/34560 600.0 5.348 4.076 6.916 0.000 0.000 0.000 3/34560 610.0 5.254 4.003 6.796 0.000 0.000 0.000 3/34560 620.0 5.163 3.933 6.679 0.000 0.000 0.000 3/34560 630.0 5.076 3.866 6.567 0.000 0.000 0.000 3/34560 640.0 4.991 3.801 6.459 0.000 0.000 0.000 3/34560 650.0 4.909 3.739 6.354 0.000 0.000 0.000 3/34560 660.0 4.830 3.678 6.253 0.000 0.000 0.000 3/34560 670.0 4.754 3.619 6.155 0.000 0.000 0.000 3/34560 680.0 4.680 3.563 6.060 0.000 0.000 0.000 3/34560 690.0 4.608 3.508 5.968 0.000 0.000 0.000 3/34560 700.0 4.539 3.454 5.878 0.000 0.000 0.000 3/34560 710.0 4.472 3.403 5.792 0.000 0.000 0.000 3/34560 720.0 4.406 3.353 5.708 0.000 0.000 0.000 3/34560 730.0 4.343 3.304 5.627 0.000 0.000 0.000 3/34560 740.0 4.281 3.257 5.547 0.000 0.000 0.000 3/34560 750.0 4.222 3.212 5.471 0.000 0.000 0.000 3/34560 760.0 4.164 3.167 5.396 0.000 0.000 0.000 3/34560 770.0 4.107 3.124 5.323 0.000 0.000 0.000 3/34560 780.0 4.052 3.082 5.253 0.000 0.000 0.000 3/34560 790.0 3.999 3.041 5.184 0.000 0.000 0.000 3/34560 800.0 3.947 3.001 5.117 0.000 0.000 0.000 3/34560 810.0 3.896 2.963 5.052 0.000 0.000 0.000 3/34560 820.0 3.847 2.925 4.988 0.000 0.000 0.000 3/34560 830.0 3.799 2.888 4.926 0.000 0.000 0.000 3/34560 840.0 3.752 2.852 4.866 0.000 0.000 0.000 3/34560 850.0 3.706 2.817 4.807 0.000 0.000 0.000 3/34560 860.0 3.662 2.783 4.749 0.000 0.000 0.000 3/34560 870.0 3.618 2.750 4.693 0.000 0.000 0.000 3/34560 880.0 3.576 2.718 4.639 0.000 0.000 0.000 3/34560 890.0 3.534 2.686 4.585 0.000 0.000 0.000 3/34560 900.0 3.494 2.655 4.533 0.000 0.000 0.000 3/34560 910.0 3.454 2.625 4.482 0.000 0.000 0.000 3/34560 920.0 3.416 2.595 4.432 0.000 0.000 0.000 3/34560 930.0 3.378 2.567 4.383 0.000 0.000 0.000 3/34560 940.0 3.341 2.538 4.335 0.000 0.000 0.000 3/34560 950.0 3.305 2.511 4.289 0.000 0.000 0.000 3/34560 960.0 3.269 2.484 4.243 0.000 0.000 0.000 3/34560 970.0 3.235 2.458 4.199 0.000 0.000 0.000 3/34560 980.0 3.201 2.432 4.155 0.000 0.000 0.000 3/34560 990.0 3.168 2.407 4.112 0.000 0.000 0.000 3/34560 1000.0 3.135 2.382 4.070 0.000 0.000 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m8910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|