----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:43:18]------------------------- 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: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.025577414999999 -6.262704700000000 0.000000000000000 b 3.025577414999999 6.262704700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): *1 Rb 0.04967156693151 0.95032843306849 0.36190892817939 85.468 *2 Rb 0.12389679626053 0.87610320373947 0.92453757222649 85.468 3 Rb 0.37610320373947 0.62389679626053 0.42453757222649 85.468 4 Rb 0.54967156693151 0.45032843306849 0.13809107182061 85.468 5 Rb 0.95032843306849 0.04967156693151 0.63809107182061 85.468 6 Rb 0.62389679626053 0.37610320373947 0.57546242777351 85.468 7 Rb 0.45032843306849 0.54967156693151 0.86190892817939 85.468 8 Rb 0.87610320373947 0.12389679626053 0.07546242777351 85.468 *9 Sn 0.24431446569541 0.75568553430459 0.16244464711109 118.710 10 Sn 0.25568553430459 0.74431446569541 0.66244464711109 118.710 11 Sn 0.74431446569541 0.25568553430459 0.33755535288891 118.710 12 Sn 0.75568553430459 0.24431446569541 0.83755535288891 118.710 *13 O 0.04391577457026 0.45608422542974 0.25000000000000 15.999 14 O 0.45608422542973 0.04391577457026 0.75000000000000 15.999 *15 O 0.09101191970739 0.90898808029261 0.14444405835105 15.999 *16 O 0.34019376635060 0.65980623364941 0.04881365938629 15.999 17 O 0.65980623364941 0.34019376635060 0.95118634061371 15.999 18 O 0.84019376635059 0.15980623364940 0.45118634061371 15.999 19 O 0.15980623364940 0.84019376635059 0.54881365938629 15.999 20 O 0.40898808029261 0.59101191970739 0.64444405835105 15.999 21 O 0.59101191970739 0.40898808029261 0.35555594164895 15.999 22 O 0.90898808029261 0.09101191970739 0.85555594164895 15.999 23 O 0.54391577457026 0.95608422542974 0.25000000000000 15.999 24 O 0.95608422542974 0.54391577457026 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.051154829999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.525409399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): *1 Rb 0.50000000000000 0.45032843306849 0.36190892817939 85.468 > 1 *2 Rb 0.50000000000000 0.37610320373947 0.92453757222649 85.468 > 2 3 Rb 0.50000000000000 0.12389679626053 0.42453757222649 85.468 > 3 4 Rb 0.00000000000000 0.45032843306849 0.13809107182061 85.468 > 4 5 Rb 0.00000000000000 0.04967156693151 0.63809107182061 85.468 > 5 6 Rb 0.00000000000000 0.37610320373947 0.57546242777351 85.468 > 6 7 Rb 0.50000000000000 0.04967156693151 0.86190892817939 85.468 > 7 8 Rb 0.00000000000000 0.12389679626053 0.07546242777351 85.468 > 8 9 Rb 0.00000000000000 0.95032843306849 0.36190892817939 85.468 > 1 10 Rb 0.00000000000000 0.87610320373947 0.92453757222649 85.468 > 2 11 Rb 0.00000000000000 0.62389679626053 0.42453757222649 85.468 > 3 12 Rb 0.50000000000000 0.95032843306849 0.13809107182061 85.468 > 4 13 Rb 0.50000000000000 0.54967156693151 0.63809107182061 85.468 > 5 14 Rb 0.50000000000000 0.87610320373947 0.57546242777351 85.468 > 6 15 Rb 0.00000000000000 0.54967156693151 0.86190892817939 85.468 > 7 16 Rb 0.50000000000000 0.62389679626053 0.07546242777351 85.468 > 8 *17 Sn 0.50000000000000 0.25568553430459 0.16244464711109 118.710 > 9 18 Sn 0.50000000000000 0.24431446569541 0.66244464711109 118.710 > 10 19 Sn 0.00000000000000 0.25568553430459 0.33755535288891 118.710 > 11 20 Sn 0.00000000000000 0.24431446569541 0.83755535288891 118.710 > 12 21 Sn 0.00000000000000 0.75568553430459 0.16244464711109 118.710 > 9 22 Sn 0.00000000000000 0.74431446569541 0.66244464711109 118.710 > 10 23 Sn 0.50000000000000 0.75568553430459 0.33755535288891 118.710 > 11 24 Sn 0.50000000000000 0.74431446569541 0.83755535288891 118.710 > 12 *25 O 0.25000000000000 0.20608422542974 0.25000000000000 15.999 > 13 26 O 0.75000000000000 0.29391577457027 0.75000000000000 15.999 > 14 *27 O 0.50000000000000 0.40898808029261 0.14444405835105 15.999 > 15 *28 O 0.50000000000000 0.15980623364940 0.04881365938629 15.999 > 16 29 O 0.00000000000000 0.34019376635060 0.95118634061371 15.999 > 17 30 O 0.00000000000000 0.15980623364940 0.45118634061371 15.999 > 18 31 O 0.50000000000000 0.34019376635060 0.54881365938629 15.999 > 19 32 O 0.50000000000000 0.09101191970739 0.64444405835105 15.999 > 20 33 O 0.00000000000000 0.40898808029261 0.35555594164895 15.999 > 21 34 O 0.00000000000000 0.09101191970739 0.85555594164895 15.999 > 22 35 O 0.75000000000000 0.20608422542974 0.25000000000000 15.999 > 23 36 O 0.25000000000000 0.29391577457027 0.75000000000000 15.999 > 24 37 O 0.75000000000000 0.70608422542974 0.25000000000000 15.999 > 13 38 O 0.25000000000000 0.79391577457026 0.75000000000000 15.999 > 14 39 O 0.00000000000000 0.90898808029261 0.14444405835105 15.999 > 15 40 O 0.00000000000000 0.65980623364941 0.04881365938629 15.999 > 16 41 O 0.50000000000000 0.84019376635059 0.95118634061371 15.999 > 17 42 O 0.50000000000000 0.65980623364941 0.45118634061371 15.999 > 18 43 O 0.00000000000000 0.84019376635059 0.54881365938629 15.999 > 19 44 O 0.00000000000000 0.59101191970739 0.64444405835105 15.999 > 20 45 O 0.50000000000000 0.90898808029261 0.35555594164895 15.999 > 21 46 O 0.50000000000000 0.59101191970739 0.85555594164895 15.999 > 22 47 O 0.25000000000000 0.70608422542974 0.25000000000000 15.999 > 23 48 O 0.75000000000000 0.79391577457026 0.75000000000000 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.153464489999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.525409399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): *1 Rb 0.16666666666667 0.45032843306849 0.36190892817939 85.468 > 1 2 Rb 0.50000000000000 0.45032843306849 0.36190892817939 85.468 > 1 3 Rb 0.83333333333333 0.45032843306849 0.36190892817939 85.468 > 1 *4 Rb 0.16666666666667 0.37610320373947 0.92453757222649 85.468 > 2 5 Rb 0.50000000000000 0.37610320373947 0.92453757222649 85.468 > 2 6 Rb 0.83333333333333 0.37610320373947 0.92453757222649 85.468 > 2 7 Rb 0.16666666666667 0.12389679626053 0.42453757222649 85.468 > 3 8 Rb 0.50000000000000 0.12389679626053 0.42453757222649 85.468 > 3 9 Rb 0.83333333333333 0.12389679626053 0.42453757222649 85.468 > 3 10 Rb 0.00000000000000 0.45032843306849 0.13809107182061 85.468 > 4 11 Rb 0.33333333333333 0.45032843306849 0.13809107182061 85.468 > 4 12 Rb 0.66666666666667 0.45032843306849 0.13809107182061 85.468 > 4 13 Rb 0.00000000000000 0.04967156693151 0.63809107182061 85.468 > 5 14 Rb 0.33333333333333 0.04967156693151 0.63809107182061 85.468 > 5 15 Rb 0.66666666666667 0.04967156693151 0.63809107182061 85.468 > 5 16 Rb 0.00000000000000 0.37610320373947 0.57546242777351 85.468 > 6 17 Rb 0.33333333333333 0.37610320373947 0.57546242777351 85.468 > 6 18 Rb 0.66666666666667 0.37610320373947 0.57546242777351 85.468 > 6 19 Rb 0.16666666666667 0.04967156693151 0.86190892817939 85.468 > 7 20 Rb 0.50000000000000 0.04967156693151 0.86190892817939 85.468 > 7 21 Rb 0.83333333333333 0.04967156693151 0.86190892817939 85.468 > 7 22 Rb 0.00000000000000 0.12389679626053 0.07546242777351 85.468 > 8 23 Rb 0.33333333333333 0.12389679626053 0.07546242777351 85.468 > 8 24 Rb 0.66666666666667 0.12389679626053 0.07546242777351 85.468 > 8 25 Rb 0.00000000000000 0.95032843306849 0.36190892817939 85.468 > 1 26 Rb 0.33333333333333 0.95032843306849 0.36190892817939 85.468 > 1 27 Rb 0.66666666666667 0.95032843306849 0.36190892817939 85.468 > 1 28 Rb 0.00000000000000 0.87610320373947 0.92453757222649 85.468 > 2 29 Rb 0.33333333333333 0.87610320373947 0.92453757222649 85.468 > 2 30 Rb 0.66666666666667 0.87610320373947 0.92453757222649 85.468 > 2 31 Rb 0.00000000000000 0.62389679626053 0.42453757222649 85.468 > 3 32 Rb 0.33333333333333 0.62389679626053 0.42453757222649 85.468 > 3 33 Rb 0.66666666666667 0.62389679626053 0.42453757222649 85.468 > 3 34 Rb 0.16666666666667 0.95032843306849 0.13809107182061 85.468 > 4 35 Rb 0.50000000000000 0.95032843306849 0.13809107182061 85.468 > 4 36 Rb 0.83333333333333 0.95032843306849 0.13809107182061 85.468 > 4 37 Rb 0.16666666666667 0.54967156693151 0.63809107182061 85.468 > 5 38 Rb 0.50000000000000 0.54967156693151 0.63809107182061 85.468 > 5 39 Rb 0.83333333333333 0.54967156693151 0.63809107182061 85.468 > 5 40 Rb 0.16666666666667 0.87610320373947 0.57546242777351 85.468 > 6 41 Rb 0.50000000000000 0.87610320373947 0.57546242777351 85.468 > 6 42 Rb 0.83333333333333 0.87610320373947 0.57546242777351 85.468 > 6 43 Rb 0.00000000000000 0.54967156693151 0.86190892817939 85.468 > 7 44 Rb 0.33333333333333 0.54967156693151 0.86190892817939 85.468 > 7 45 Rb 0.66666666666667 0.54967156693151 0.86190892817939 85.468 > 7 46 Rb 0.16666666666667 0.62389679626053 0.07546242777351 85.468 > 8 47 Rb 0.50000000000000 0.62389679626053 0.07546242777351 85.468 > 8 48 Rb 0.83333333333333 0.62389679626053 0.07546242777351 85.468 > 8 *49 Sn 0.16666666666667 0.25568553430459 0.16244464711109 118.710 > 9 50 Sn 0.50000000000000 0.25568553430459 0.16244464711109 118.710 > 9 51 Sn 0.83333333333333 0.25568553430459 0.16244464711109 118.710 > 9 52 Sn 0.16666666666667 0.24431446569541 0.66244464711109 118.710 > 10 53 Sn 0.50000000000000 0.24431446569541 0.66244464711109 118.710 > 10 54 Sn 0.83333333333333 0.24431446569541 0.66244464711109 118.710 > 10 55 Sn 0.00000000000000 0.25568553430459 0.33755535288891 118.710 > 11 56 Sn 0.33333333333333 0.25568553430459 0.33755535288891 118.710 > 11 57 Sn 0.66666666666667 0.25568553430459 0.33755535288891 118.710 > 11 58 Sn 0.00000000000000 0.24431446569541 0.83755535288891 118.710 > 12 59 Sn 0.33333333333333 0.24431446569541 0.83755535288891 118.710 > 12 60 Sn 0.66666666666667 0.24431446569541 0.83755535288891 118.710 > 12 61 Sn 0.00000000000000 0.75568553430459 0.16244464711109 118.710 > 9 62 Sn 0.33333333333333 0.75568553430459 0.16244464711109 118.710 > 9 63 Sn 0.66666666666667 0.75568553430459 0.16244464711109 118.710 > 9 64 Sn 0.00000000000000 0.74431446569541 0.66244464711109 118.710 > 10 65 Sn 0.33333333333333 0.74431446569541 0.66244464711109 118.710 > 10 66 Sn 0.66666666666667 0.74431446569541 0.66244464711109 118.710 > 10 67 Sn 0.16666666666667 0.75568553430459 0.33755535288891 118.710 > 11 68 Sn 0.50000000000000 0.75568553430459 0.33755535288891 118.710 > 11 69 Sn 0.83333333333333 0.75568553430459 0.33755535288891 118.710 > 11 70 Sn 0.16666666666667 0.74431446569541 0.83755535288891 118.710 > 12 71 Sn 0.50000000000000 0.74431446569541 0.83755535288891 118.710 > 12 72 Sn 0.83333333333333 0.74431446569541 0.83755535288891 118.710 > 12 *73 O 0.08333333333333 0.20608422542974 0.25000000000000 15.999 > 13 74 O 0.41666666666667 0.20608422542974 0.25000000000000 15.999 > 13 75 O 0.75000000000000 0.20608422542974 0.25000000000000 15.999 > 13 76 O 0.25000000000000 0.29391577457027 0.75000000000000 15.999 > 14 77 O 0.58333333333333 0.29391577457027 0.75000000000000 15.999 > 14 78 O 0.91666666666667 0.29391577457027 0.75000000000000 15.999 > 14 *79 O 0.16666666666667 0.40898808029261 0.14444405835105 15.999 > 15 80 O 0.50000000000000 0.40898808029261 0.14444405835105 15.999 > 15 81 O 0.83333333333333 0.40898808029261 0.14444405835105 15.999 > 15 *82 O 0.16666666666667 0.15980623364940 0.04881365938629 15.999 > 16 83 O 0.50000000000000 0.15980623364940 0.04881365938629 15.999 > 16 84 O 0.83333333333333 0.15980623364940 0.04881365938629 15.999 > 16 85 O 0.00000000000000 0.34019376635060 0.95118634061371 15.999 > 17 86 O 0.33333333333333 0.34019376635060 0.95118634061371 15.999 > 17 87 O 0.66666666666667 0.34019376635060 0.95118634061371 15.999 > 17 88 O 0.00000000000000 0.15980623364940 0.45118634061371 15.999 > 18 89 O 0.33333333333333 0.15980623364940 0.45118634061371 15.999 > 18 90 O 0.66666666666667 0.15980623364940 0.45118634061371 15.999 > 18 91 O 0.16666666666667 0.34019376635060 0.54881365938629 15.999 > 19 92 O 0.50000000000000 0.34019376635060 0.54881365938629 15.999 > 19 93 O 0.83333333333333 0.34019376635060 0.54881365938629 15.999 > 19 94 O 0.16666666666667 0.09101191970739 0.64444405835105 15.999 > 20 95 O 0.50000000000000 0.09101191970739 0.64444405835105 15.999 > 20 96 O 0.83333333333333 0.09101191970739 0.64444405835105 15.999 > 20 97 O 0.00000000000000 0.40898808029261 0.35555594164895 15.999 > 21 98 O 0.33333333333333 0.40898808029261 0.35555594164895 15.999 > 21 99 O 0.66666666666667 0.40898808029261 0.35555594164895 15.999 > 21 100 O 0.00000000000000 0.09101191970739 0.85555594164895 15.999 > 22 101 O 0.33333333333333 0.09101191970739 0.85555594164895 15.999 > 22 102 O 0.66666666666667 0.09101191970739 0.85555594164895 15.999 > 22 103 O 0.25000000000000 0.20608422542974 0.25000000000000 15.999 > 23 104 O 0.58333333333333 0.20608422542974 0.25000000000000 15.999 > 23 105 O 0.91666666666667 0.20608422542974 0.25000000000000 15.999 > 23 106 O 0.08333333333333 0.29391577457027 0.75000000000000 15.999 > 24 107 O 0.41666666666667 0.29391577457027 0.75000000000000 15.999 > 24 108 O 0.75000000000000 0.29391577457027 0.75000000000000 15.999 > 24 109 O 0.25000000000000 0.70608422542974 0.25000000000000 15.999 > 13 110 O 0.58333333333333 0.70608422542974 0.25000000000000 15.999 > 13 111 O 0.91666666666667 0.70608422542974 0.25000000000000 15.999 > 13 112 O 0.08333333333333 0.79391577457026 0.75000000000000 15.999 > 14 113 O 0.41666666666667 0.79391577457026 0.75000000000000 15.999 > 14 114 O 0.75000000000000 0.79391577457026 0.75000000000000 15.999 > 14 115 O 0.00000000000000 0.90898808029261 0.14444405835105 15.999 > 15 116 O 0.33333333333333 0.90898808029261 0.14444405835105 15.999 > 15 117 O 0.66666666666667 0.90898808029261 0.14444405835105 15.999 > 15 118 O 0.00000000000000 0.65980623364941 0.04881365938629 15.999 > 16 119 O 0.33333333333333 0.65980623364941 0.04881365938629 15.999 > 16 120 O 0.66666666666667 0.65980623364941 0.04881365938629 15.999 > 16 121 O 0.16666666666667 0.84019376635059 0.95118634061371 15.999 > 17 122 O 0.50000000000000 0.84019376635059 0.95118634061371 15.999 > 17 123 O 0.83333333333333 0.84019376635059 0.95118634061371 15.999 > 17 124 O 0.16666666666667 0.65980623364941 0.45118634061371 15.999 > 18 125 O 0.50000000000000 0.65980623364941 0.45118634061371 15.999 > 18 126 O 0.83333333333333 0.65980623364941 0.45118634061371 15.999 > 18 127 O 0.00000000000000 0.84019376635059 0.54881365938629 15.999 > 19 128 O 0.33333333333333 0.84019376635059 0.54881365938629 15.999 > 19 129 O 0.66666666666667 0.84019376635059 0.54881365938629 15.999 > 19 130 O 0.00000000000000 0.59101191970739 0.64444405835105 15.999 > 20 131 O 0.33333333333333 0.59101191970739 0.64444405835105 15.999 > 20 132 O 0.66666666666667 0.59101191970739 0.64444405835105 15.999 > 20 133 O 0.16666666666667 0.90898808029261 0.35555594164895 15.999 > 21 134 O 0.50000000000000 0.90898808029261 0.35555594164895 15.999 > 21 135 O 0.83333333333333 0.90898808029261 0.35555594164895 15.999 > 21 136 O 0.16666666666667 0.59101191970739 0.85555594164895 15.999 > 22 137 O 0.50000000000000 0.59101191970739 0.85555594164895 15.999 > 22 138 O 0.83333333333333 0.59101191970739 0.85555594164895 15.999 > 22 139 O 0.08333333333333 0.70608422542974 0.25000000000000 15.999 > 23 140 O 0.41666666666667 0.70608422542974 0.25000000000000 15.999 > 23 141 O 0.75000000000000 0.70608422542974 0.25000000000000 15.999 > 23 142 O 0.25000000000000 0.79391577457026 0.75000000000000 15.999 > 24 143 O 0.58333333333333 0.79391577457026 0.75000000000000 15.999 > 24 144 O 0.91666666666667 0.79391577457026 0.75000000000000 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2234140 0.0000000 0.0000000 0.0000000 3.0619213 0.0000000 0.0000000 0.0000000 3.3293713 -------------------------- Born effective charges -------------------------- 1 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 2 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 3 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 4 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 5 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 6 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 7 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 8 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 9 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 10 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 11 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 12 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 13 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 14 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 15 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 16 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 17 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 18 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 19 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 20 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 21 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 22 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 23 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 24 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 18756/18756 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2140 Number of blocks in projector: 2140 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 268 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 316 Use standard eigh solver. Tree of FC basis block matrices: - (2140, 2110), data: False |-- (316, 310), data: True |-- (316, 310), data: True |-- (316, 310), data: True |-- (328, 328), data: True |-- (336, 334), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 10), data: (528, 20) @ (20, 10) |-- (278, 268), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.802 Solver_block: 200 / 400 - Time: 0.764 Solver_block: 300 / 400 - Time: 0.766 Solver_block: 400 / 400 - Time: 0.774 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.184 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 18756/18756 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2140 Number of blocks in projector: 2140 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 268 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 316 Use standard eigh solver. Tree of FC basis block matrices: - (2140, 2110), data: False |-- (316, 310), data: True |-- (316, 310), data: True |-- (316, 310), data: True |-- (328, 328), data: True |-- (336, 334), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 10), data: (528, 20) @ (20, 10) |-- (278, 268), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:43:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:43:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.025577414999999 -6.262704700000000 0.000000000000000 b 3.025577414999999 6.262704700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): 1 Rb 0.04967156693151 0.95032843306849 0.36190892817939 85.468 2 Rb 0.12389679626053 0.87610320373947 0.92453757222649 85.468 3 Rb 0.37610320373947 0.62389679626053 0.42453757222649 85.468 4 Rb 0.54967156693151 0.45032843306849 0.13809107182061 85.468 5 Rb 0.95032843306849 0.04967156693151 0.63809107182061 85.468 6 Rb 0.62389679626053 0.37610320373947 0.57546242777351 85.468 7 Rb 0.45032843306849 0.54967156693151 0.86190892817939 85.468 8 Rb 0.87610320373947 0.12389679626053 0.07546242777351 85.468 9 Sn 0.24431446569541 0.75568553430459 0.16244464711109 118.710 10 Sn 0.25568553430459 0.74431446569541 0.66244464711109 118.710 11 Sn 0.74431446569541 0.25568553430459 0.33755535288891 118.710 12 Sn 0.75568553430459 0.24431446569541 0.83755535288891 118.710 13 O 0.04391577457026 0.45608422542974 0.25000000000000 15.999 14 O 0.45608422542973 0.04391577457026 0.75000000000000 15.999 15 O 0.09101191970739 0.90898808029261 0.14444405835105 15.999 16 O 0.34019376635060 0.65980623364941 0.04881365938629 15.999 17 O 0.65980623364941 0.34019376635060 0.95118634061371 15.999 18 O 0.84019376635059 0.15980623364940 0.45118634061371 15.999 19 O 0.15980623364940 0.84019376635059 0.54881365938629 15.999 20 O 0.40898808029261 0.59101191970739 0.64444405835105 15.999 21 O 0.59101191970739 0.40898808029261 0.35555594164895 15.999 22 O 0.90898808029261 0.09101191970739 0.85555594164895 15.999 23 O 0.54391577457026 0.95608422542974 0.25000000000000 15.999 24 O 0.95608422542974 0.54391577457026 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.153464489999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.525409399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): 1 Rb 0.16666666666667 0.45032843306849 0.36190892817939 85.468 > 1 2 Rb 0.50000000000000 0.45032843306849 0.36190892817939 85.468 > 1 3 Rb 0.83333333333333 0.45032843306849 0.36190892817939 85.468 > 1 4 Rb 0.16666666666667 0.37610320373947 0.92453757222649 85.468 > 4 5 Rb 0.50000000000000 0.37610320373947 0.92453757222649 85.468 > 4 6 Rb 0.83333333333333 0.37610320373947 0.92453757222649 85.468 > 4 7 Rb 0.16666666666667 0.12389679626053 0.42453757222649 85.468 > 7 8 Rb 0.50000000000000 0.12389679626053 0.42453757222649 85.468 > 7 9 Rb 0.83333333333333 0.12389679626053 0.42453757222649 85.468 > 7 10 Rb 0.00000000000000 0.45032843306849 0.13809107182061 85.468 > 10 11 Rb 0.33333333333333 0.45032843306849 0.13809107182061 85.468 > 10 12 Rb 0.66666666666667 0.45032843306849 0.13809107182061 85.468 > 10 13 Rb 0.00000000000000 0.04967156693151 0.63809107182061 85.468 > 13 14 Rb 0.33333333333333 0.04967156693151 0.63809107182061 85.468 > 13 15 Rb 0.66666666666667 0.04967156693151 0.63809107182061 85.468 > 13 16 Rb 0.00000000000000 0.37610320373947 0.57546242777351 85.468 > 16 17 Rb 0.33333333333333 0.37610320373947 0.57546242777351 85.468 > 16 18 Rb 0.66666666666667 0.37610320373947 0.57546242777351 85.468 > 16 19 Rb 0.16666666666667 0.04967156693151 0.86190892817939 85.468 > 19 20 Rb 0.50000000000000 0.04967156693151 0.86190892817939 85.468 > 19 21 Rb 0.83333333333333 0.04967156693151 0.86190892817939 85.468 > 19 22 Rb 0.00000000000000 0.12389679626053 0.07546242777351 85.468 > 22 23 Rb 0.33333333333333 0.12389679626053 0.07546242777351 85.468 > 22 24 Rb 0.66666666666667 0.12389679626053 0.07546242777351 85.468 > 22 25 Rb 0.00000000000000 0.95032843306849 0.36190892817939 85.468 > 1 26 Rb 0.33333333333333 0.95032843306849 0.36190892817939 85.468 > 1 27 Rb 0.66666666666667 0.95032843306849 0.36190892817939 85.468 > 1 28 Rb 0.00000000000000 0.87610320373947 0.92453757222649 85.468 > 4 29 Rb 0.33333333333333 0.87610320373947 0.92453757222649 85.468 > 4 30 Rb 0.66666666666667 0.87610320373947 0.92453757222649 85.468 > 4 31 Rb 0.00000000000000 0.62389679626053 0.42453757222649 85.468 > 7 32 Rb 0.33333333333333 0.62389679626053 0.42453757222649 85.468 > 7 33 Rb 0.66666666666667 0.62389679626053 0.42453757222649 85.468 > 7 34 Rb 0.16666666666667 0.95032843306849 0.13809107182061 85.468 > 10 35 Rb 0.50000000000000 0.95032843306849 0.13809107182061 85.468 > 10 36 Rb 0.83333333333333 0.95032843306849 0.13809107182061 85.468 > 10 37 Rb 0.16666666666667 0.54967156693151 0.63809107182061 85.468 > 13 38 Rb 0.50000000000000 0.54967156693151 0.63809107182061 85.468 > 13 39 Rb 0.83333333333333 0.54967156693151 0.63809107182061 85.468 > 13 40 Rb 0.16666666666667 0.87610320373947 0.57546242777351 85.468 > 16 41 Rb 0.50000000000000 0.87610320373947 0.57546242777351 85.468 > 16 42 Rb 0.83333333333333 0.87610320373947 0.57546242777351 85.468 > 16 43 Rb 0.00000000000000 0.54967156693151 0.86190892817939 85.468 > 19 44 Rb 0.33333333333333 0.54967156693151 0.86190892817939 85.468 > 19 45 Rb 0.66666666666667 0.54967156693151 0.86190892817939 85.468 > 19 46 Rb 0.16666666666667 0.62389679626053 0.07546242777351 85.468 > 22 47 Rb 0.50000000000000 0.62389679626053 0.07546242777351 85.468 > 22 48 Rb 0.83333333333333 0.62389679626053 0.07546242777351 85.468 > 22 49 Sn 0.16666666666667 0.25568553430459 0.16244464711109 118.710 > 49 50 Sn 0.50000000000000 0.25568553430459 0.16244464711109 118.710 > 49 51 Sn 0.83333333333333 0.25568553430459 0.16244464711109 118.710 > 49 52 Sn 0.16666666666667 0.24431446569541 0.66244464711109 118.710 > 52 53 Sn 0.50000000000000 0.24431446569541 0.66244464711109 118.710 > 52 54 Sn 0.83333333333333 0.24431446569541 0.66244464711109 118.710 > 52 55 Sn 0.00000000000000 0.25568553430459 0.33755535288891 118.710 > 55 56 Sn 0.33333333333333 0.25568553430459 0.33755535288891 118.710 > 55 57 Sn 0.66666666666667 0.25568553430459 0.33755535288891 118.710 > 55 58 Sn 0.00000000000000 0.24431446569541 0.83755535288891 118.710 > 58 59 Sn 0.33333333333333 0.24431446569541 0.83755535288891 118.710 > 58 60 Sn 0.66666666666667 0.24431446569541 0.83755535288891 118.710 > 58 61 Sn 0.00000000000000 0.75568553430459 0.16244464711109 118.710 > 49 62 Sn 0.33333333333333 0.75568553430459 0.16244464711109 118.710 > 49 63 Sn 0.66666666666667 0.75568553430459 0.16244464711109 118.710 > 49 64 Sn 0.00000000000000 0.74431446569541 0.66244464711109 118.710 > 52 65 Sn 0.33333333333333 0.74431446569541 0.66244464711109 118.710 > 52 66 Sn 0.66666666666667 0.74431446569541 0.66244464711109 118.710 > 52 67 Sn 0.16666666666667 0.75568553430459 0.33755535288891 118.710 > 55 68 Sn 0.50000000000000 0.75568553430459 0.33755535288891 118.710 > 55 69 Sn 0.83333333333333 0.75568553430459 0.33755535288891 118.710 > 55 70 Sn 0.16666666666667 0.74431446569541 0.83755535288891 118.710 > 58 71 Sn 0.50000000000000 0.74431446569541 0.83755535288891 118.710 > 58 72 Sn 0.83333333333333 0.74431446569541 0.83755535288891 118.710 > 58 73 O 0.08333333333333 0.20608422542974 0.25000000000000 15.999 > 73 74 O 0.41666666666667 0.20608422542974 0.25000000000000 15.999 > 73 75 O 0.75000000000000 0.20608422542974 0.25000000000000 15.999 > 73 76 O 0.25000000000000 0.29391577457027 0.75000000000000 15.999 > 76 77 O 0.58333333333333 0.29391577457027 0.75000000000000 15.999 > 76 78 O 0.91666666666667 0.29391577457027 0.75000000000000 15.999 > 76 79 O 0.16666666666667 0.40898808029261 0.14444405835105 15.999 > 79 80 O 0.50000000000000 0.40898808029261 0.14444405835105 15.999 > 79 81 O 0.83333333333333 0.40898808029261 0.14444405835105 15.999 > 79 82 O 0.16666666666667 0.15980623364940 0.04881365938629 15.999 > 82 83 O 0.50000000000000 0.15980623364940 0.04881365938629 15.999 > 82 84 O 0.83333333333333 0.15980623364940 0.04881365938629 15.999 > 82 85 O 0.00000000000000 0.34019376635060 0.95118634061371 15.999 > 85 86 O 0.33333333333333 0.34019376635060 0.95118634061371 15.999 > 85 87 O 0.66666666666667 0.34019376635060 0.95118634061371 15.999 > 85 88 O 0.00000000000000 0.15980623364940 0.45118634061371 15.999 > 88 89 O 0.33333333333333 0.15980623364940 0.45118634061371 15.999 > 88 90 O 0.66666666666667 0.15980623364940 0.45118634061371 15.999 > 88 91 O 0.16666666666667 0.34019376635060 0.54881365938629 15.999 > 91 92 O 0.50000000000000 0.34019376635060 0.54881365938629 15.999 > 91 93 O 0.83333333333333 0.34019376635060 0.54881365938629 15.999 > 91 94 O 0.16666666666667 0.09101191970739 0.64444405835105 15.999 > 94 95 O 0.50000000000000 0.09101191970739 0.64444405835105 15.999 > 94 96 O 0.83333333333333 0.09101191970739 0.64444405835105 15.999 > 94 97 O 0.00000000000000 0.40898808029261 0.35555594164895 15.999 > 97 98 O 0.33333333333333 0.40898808029261 0.35555594164895 15.999 > 97 99 O 0.66666666666667 0.40898808029261 0.35555594164895 15.999 > 97 100 O 0.00000000000000 0.09101191970739 0.85555594164895 15.999 > 100 101 O 0.33333333333333 0.09101191970739 0.85555594164895 15.999 > 100 102 O 0.66666666666667 0.09101191970739 0.85555594164895 15.999 > 100 103 O 0.25000000000000 0.20608422542974 0.25000000000000 15.999 > 103 104 O 0.58333333333333 0.20608422542974 0.25000000000000 15.999 > 103 105 O 0.91666666666667 0.20608422542974 0.25000000000000 15.999 > 103 106 O 0.08333333333333 0.29391577457027 0.75000000000000 15.999 > 106 107 O 0.41666666666667 0.29391577457027 0.75000000000000 15.999 > 106 108 O 0.75000000000000 0.29391577457027 0.75000000000000 15.999 > 106 109 O 0.25000000000000 0.70608422542974 0.25000000000000 15.999 > 73 110 O 0.58333333333333 0.70608422542974 0.25000000000000 15.999 > 73 111 O 0.91666666666667 0.70608422542974 0.25000000000000 15.999 > 73 112 O 0.08333333333333 0.79391577457026 0.75000000000000 15.999 > 76 113 O 0.41666666666667 0.79391577457026 0.75000000000000 15.999 > 76 114 O 0.75000000000000 0.79391577457026 0.75000000000000 15.999 > 76 115 O 0.00000000000000 0.90898808029261 0.14444405835105 15.999 > 79 116 O 0.33333333333333 0.90898808029261 0.14444405835105 15.999 > 79 117 O 0.66666666666667 0.90898808029261 0.14444405835105 15.999 > 79 118 O 0.00000000000000 0.65980623364941 0.04881365938629 15.999 > 82 119 O 0.33333333333333 0.65980623364941 0.04881365938629 15.999 > 82 120 O 0.66666666666667 0.65980623364941 0.04881365938629 15.999 > 82 121 O 0.16666666666667 0.84019376635059 0.95118634061371 15.999 > 85 122 O 0.50000000000000 0.84019376635059 0.95118634061371 15.999 > 85 123 O 0.83333333333333 0.84019376635059 0.95118634061371 15.999 > 85 124 O 0.16666666666667 0.65980623364941 0.45118634061371 15.999 > 88 125 O 0.50000000000000 0.65980623364941 0.45118634061371 15.999 > 88 126 O 0.83333333333333 0.65980623364941 0.45118634061371 15.999 > 88 127 O 0.00000000000000 0.84019376635059 0.54881365938629 15.999 > 91 128 O 0.33333333333333 0.84019376635059 0.54881365938629 15.999 > 91 129 O 0.66666666666667 0.84019376635059 0.54881365938629 15.999 > 91 130 O 0.00000000000000 0.59101191970739 0.64444405835105 15.999 > 94 131 O 0.33333333333333 0.59101191970739 0.64444405835105 15.999 > 94 132 O 0.66666666666667 0.59101191970739 0.64444405835105 15.999 > 94 133 O 0.16666666666667 0.90898808029261 0.35555594164895 15.999 > 97 134 O 0.50000000000000 0.90898808029261 0.35555594164895 15.999 > 97 135 O 0.83333333333333 0.90898808029261 0.35555594164895 15.999 > 97 136 O 0.16666666666667 0.59101191970739 0.85555594164895 15.999 > 100 137 O 0.50000000000000 0.59101191970739 0.85555594164895 15.999 > 100 138 O 0.83333333333333 0.59101191970739 0.85555594164895 15.999 > 100 139 O 0.08333333333333 0.70608422542974 0.25000000000000 15.999 > 103 140 O 0.41666666666667 0.70608422542974 0.25000000000000 15.999 > 103 141 O 0.75000000000000 0.70608422542974 0.25000000000000 15.999 > 103 142 O 0.25000000000000 0.79391577457026 0.75000000000000 15.999 > 106 143 O 0.58333333333333 0.79391577457026 0.75000000000000 15.999 > 106 144 O 0.91666666666667 0.79391577457026 0.75000000000000 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2234140 0.0000000 0.0000000 0.0000000 3.0619213 0.0000000 0.0000000 0.0000000 3.3293713 -------------------------- Born effective charges -------------------------- 1 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 2 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 3 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 4 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 5 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 6 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 7 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 8 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 9 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 10 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 11 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 12 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 13 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 14 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 15 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 16 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 17 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 18 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 19 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 20 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 21 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 22 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 23 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 24 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 ---------------------------------------------------------------------------- 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[ 4, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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[ 82, 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: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:44:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:44:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.025577414999999 -6.262704700000000 0.000000000000000 b 3.025577414999999 6.262704700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): 1 Rb 0.04967156693151 0.95032843306849 0.36190892817939 85.468 2 Rb 0.12389679626053 0.87610320373947 0.92453757222649 85.468 3 Rb 0.37610320373947 0.62389679626053 0.42453757222649 85.468 4 Rb 0.54967156693151 0.45032843306849 0.13809107182061 85.468 5 Rb 0.95032843306849 0.04967156693151 0.63809107182061 85.468 6 Rb 0.62389679626053 0.37610320373947 0.57546242777351 85.468 7 Rb 0.45032843306849 0.54967156693151 0.86190892817939 85.468 8 Rb 0.87610320373947 0.12389679626053 0.07546242777351 85.468 9 Sn 0.24431446569541 0.75568553430459 0.16244464711109 118.710 10 Sn 0.25568553430459 0.74431446569541 0.66244464711109 118.710 11 Sn 0.74431446569541 0.25568553430459 0.33755535288891 118.710 12 Sn 0.75568553430459 0.24431446569541 0.83755535288891 118.710 13 O 0.04391577457026 0.45608422542974 0.25000000000000 15.999 14 O 0.45608422542973 0.04391577457026 0.75000000000000 15.999 15 O 0.09101191970739 0.90898808029261 0.14444405835105 15.999 16 O 0.34019376635060 0.65980623364941 0.04881365938629 15.999 17 O 0.65980623364941 0.34019376635060 0.95118634061371 15.999 18 O 0.84019376635059 0.15980623364940 0.45118634061371 15.999 19 O 0.15980623364940 0.84019376635059 0.54881365938629 15.999 20 O 0.40898808029261 0.59101191970739 0.64444405835105 15.999 21 O 0.59101191970739 0.40898808029261 0.35555594164895 15.999 22 O 0.90898808029261 0.09101191970739 0.85555594164895 15.999 23 O 0.54391577457026 0.95608422542974 0.25000000000000 15.999 24 O 0.95608422542974 0.54391577457026 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.153464489999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.525409399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.345552939999999 Atomic positions (fractional): 1 Rb 0.16666666666667 0.45032843306849 0.36190892817939 85.468 > 1 2 Rb 0.50000000000000 0.45032843306849 0.36190892817939 85.468 > 1 3 Rb 0.83333333333333 0.45032843306849 0.36190892817939 85.468 > 1 4 Rb 0.16666666666667 0.37610320373947 0.92453757222649 85.468 > 4 5 Rb 0.50000000000000 0.37610320373947 0.92453757222649 85.468 > 4 6 Rb 0.83333333333333 0.37610320373947 0.92453757222649 85.468 > 4 7 Rb 0.16666666666667 0.12389679626053 0.42453757222649 85.468 > 7 8 Rb 0.50000000000000 0.12389679626053 0.42453757222649 85.468 > 7 9 Rb 0.83333333333333 0.12389679626053 0.42453757222649 85.468 > 7 10 Rb 0.00000000000000 0.45032843306849 0.13809107182061 85.468 > 10 11 Rb 0.33333333333333 0.45032843306849 0.13809107182061 85.468 > 10 12 Rb 0.66666666666667 0.45032843306849 0.13809107182061 85.468 > 10 13 Rb 0.00000000000000 0.04967156693151 0.63809107182061 85.468 > 13 14 Rb 0.33333333333333 0.04967156693151 0.63809107182061 85.468 > 13 15 Rb 0.66666666666667 0.04967156693151 0.63809107182061 85.468 > 13 16 Rb 0.00000000000000 0.37610320373947 0.57546242777351 85.468 > 16 17 Rb 0.33333333333333 0.37610320373947 0.57546242777351 85.468 > 16 18 Rb 0.66666666666667 0.37610320373947 0.57546242777351 85.468 > 16 19 Rb 0.16666666666667 0.04967156693151 0.86190892817939 85.468 > 19 20 Rb 0.50000000000000 0.04967156693151 0.86190892817939 85.468 > 19 21 Rb 0.83333333333333 0.04967156693151 0.86190892817939 85.468 > 19 22 Rb 0.00000000000000 0.12389679626053 0.07546242777351 85.468 > 22 23 Rb 0.33333333333333 0.12389679626053 0.07546242777351 85.468 > 22 24 Rb 0.66666666666667 0.12389679626053 0.07546242777351 85.468 > 22 25 Rb 0.00000000000000 0.95032843306849 0.36190892817939 85.468 > 1 26 Rb 0.33333333333333 0.95032843306849 0.36190892817939 85.468 > 1 27 Rb 0.66666666666667 0.95032843306849 0.36190892817939 85.468 > 1 28 Rb 0.00000000000000 0.87610320373947 0.92453757222649 85.468 > 4 29 Rb 0.33333333333333 0.87610320373947 0.92453757222649 85.468 > 4 30 Rb 0.66666666666667 0.87610320373947 0.92453757222649 85.468 > 4 31 Rb 0.00000000000000 0.62389679626053 0.42453757222649 85.468 > 7 32 Rb 0.33333333333333 0.62389679626053 0.42453757222649 85.468 > 7 33 Rb 0.66666666666667 0.62389679626053 0.42453757222649 85.468 > 7 34 Rb 0.16666666666667 0.95032843306849 0.13809107182061 85.468 > 10 35 Rb 0.50000000000000 0.95032843306849 0.13809107182061 85.468 > 10 36 Rb 0.83333333333333 0.95032843306849 0.13809107182061 85.468 > 10 37 Rb 0.16666666666667 0.54967156693151 0.63809107182061 85.468 > 13 38 Rb 0.50000000000000 0.54967156693151 0.63809107182061 85.468 > 13 39 Rb 0.83333333333333 0.54967156693151 0.63809107182061 85.468 > 13 40 Rb 0.16666666666667 0.87610320373947 0.57546242777351 85.468 > 16 41 Rb 0.50000000000000 0.87610320373947 0.57546242777351 85.468 > 16 42 Rb 0.83333333333333 0.87610320373947 0.57546242777351 85.468 > 16 43 Rb 0.00000000000000 0.54967156693151 0.86190892817939 85.468 > 19 44 Rb 0.33333333333333 0.54967156693151 0.86190892817939 85.468 > 19 45 Rb 0.66666666666667 0.54967156693151 0.86190892817939 85.468 > 19 46 Rb 0.16666666666667 0.62389679626053 0.07546242777351 85.468 > 22 47 Rb 0.50000000000000 0.62389679626053 0.07546242777351 85.468 > 22 48 Rb 0.83333333333333 0.62389679626053 0.07546242777351 85.468 > 22 49 Sn 0.16666666666667 0.25568553430459 0.16244464711109 118.710 > 49 50 Sn 0.50000000000000 0.25568553430459 0.16244464711109 118.710 > 49 51 Sn 0.83333333333333 0.25568553430459 0.16244464711109 118.710 > 49 52 Sn 0.16666666666667 0.24431446569541 0.66244464711109 118.710 > 52 53 Sn 0.50000000000000 0.24431446569541 0.66244464711109 118.710 > 52 54 Sn 0.83333333333333 0.24431446569541 0.66244464711109 118.710 > 52 55 Sn 0.00000000000000 0.25568553430459 0.33755535288891 118.710 > 55 56 Sn 0.33333333333333 0.25568553430459 0.33755535288891 118.710 > 55 57 Sn 0.66666666666667 0.25568553430459 0.33755535288891 118.710 > 55 58 Sn 0.00000000000000 0.24431446569541 0.83755535288891 118.710 > 58 59 Sn 0.33333333333333 0.24431446569541 0.83755535288891 118.710 > 58 60 Sn 0.66666666666667 0.24431446569541 0.83755535288891 118.710 > 58 61 Sn 0.00000000000000 0.75568553430459 0.16244464711109 118.710 > 49 62 Sn 0.33333333333333 0.75568553430459 0.16244464711109 118.710 > 49 63 Sn 0.66666666666667 0.75568553430459 0.16244464711109 118.710 > 49 64 Sn 0.00000000000000 0.74431446569541 0.66244464711109 118.710 > 52 65 Sn 0.33333333333333 0.74431446569541 0.66244464711109 118.710 > 52 66 Sn 0.66666666666667 0.74431446569541 0.66244464711109 118.710 > 52 67 Sn 0.16666666666667 0.75568553430459 0.33755535288891 118.710 > 55 68 Sn 0.50000000000000 0.75568553430459 0.33755535288891 118.710 > 55 69 Sn 0.83333333333333 0.75568553430459 0.33755535288891 118.710 > 55 70 Sn 0.16666666666667 0.74431446569541 0.83755535288891 118.710 > 58 71 Sn 0.50000000000000 0.74431446569541 0.83755535288891 118.710 > 58 72 Sn 0.83333333333333 0.74431446569541 0.83755535288891 118.710 > 58 73 O 0.08333333333333 0.20608422542974 0.25000000000000 15.999 > 73 74 O 0.41666666666667 0.20608422542974 0.25000000000000 15.999 > 73 75 O 0.75000000000000 0.20608422542974 0.25000000000000 15.999 > 73 76 O 0.25000000000000 0.29391577457027 0.75000000000000 15.999 > 76 77 O 0.58333333333333 0.29391577457027 0.75000000000000 15.999 > 76 78 O 0.91666666666667 0.29391577457027 0.75000000000000 15.999 > 76 79 O 0.16666666666667 0.40898808029261 0.14444405835105 15.999 > 79 80 O 0.50000000000000 0.40898808029261 0.14444405835105 15.999 > 79 81 O 0.83333333333333 0.40898808029261 0.14444405835105 15.999 > 79 82 O 0.16666666666667 0.15980623364940 0.04881365938629 15.999 > 82 83 O 0.50000000000000 0.15980623364940 0.04881365938629 15.999 > 82 84 O 0.83333333333333 0.15980623364940 0.04881365938629 15.999 > 82 85 O 0.00000000000000 0.34019376635060 0.95118634061371 15.999 > 85 86 O 0.33333333333333 0.34019376635060 0.95118634061371 15.999 > 85 87 O 0.66666666666667 0.34019376635060 0.95118634061371 15.999 > 85 88 O 0.00000000000000 0.15980623364940 0.45118634061371 15.999 > 88 89 O 0.33333333333333 0.15980623364940 0.45118634061371 15.999 > 88 90 O 0.66666666666667 0.15980623364940 0.45118634061371 15.999 > 88 91 O 0.16666666666667 0.34019376635060 0.54881365938629 15.999 > 91 92 O 0.50000000000000 0.34019376635060 0.54881365938629 15.999 > 91 93 O 0.83333333333333 0.34019376635060 0.54881365938629 15.999 > 91 94 O 0.16666666666667 0.09101191970739 0.64444405835105 15.999 > 94 95 O 0.50000000000000 0.09101191970739 0.64444405835105 15.999 > 94 96 O 0.83333333333333 0.09101191970739 0.64444405835105 15.999 > 94 97 O 0.00000000000000 0.40898808029261 0.35555594164895 15.999 > 97 98 O 0.33333333333333 0.40898808029261 0.35555594164895 15.999 > 97 99 O 0.66666666666667 0.40898808029261 0.35555594164895 15.999 > 97 100 O 0.00000000000000 0.09101191970739 0.85555594164895 15.999 > 100 101 O 0.33333333333333 0.09101191970739 0.85555594164895 15.999 > 100 102 O 0.66666666666667 0.09101191970739 0.85555594164895 15.999 > 100 103 O 0.25000000000000 0.20608422542974 0.25000000000000 15.999 > 103 104 O 0.58333333333333 0.20608422542974 0.25000000000000 15.999 > 103 105 O 0.91666666666667 0.20608422542974 0.25000000000000 15.999 > 103 106 O 0.08333333333333 0.29391577457027 0.75000000000000 15.999 > 106 107 O 0.41666666666667 0.29391577457027 0.75000000000000 15.999 > 106 108 O 0.75000000000000 0.29391577457027 0.75000000000000 15.999 > 106 109 O 0.25000000000000 0.70608422542974 0.25000000000000 15.999 > 73 110 O 0.58333333333333 0.70608422542974 0.25000000000000 15.999 > 73 111 O 0.91666666666667 0.70608422542974 0.25000000000000 15.999 > 73 112 O 0.08333333333333 0.79391577457026 0.75000000000000 15.999 > 76 113 O 0.41666666666667 0.79391577457026 0.75000000000000 15.999 > 76 114 O 0.75000000000000 0.79391577457026 0.75000000000000 15.999 > 76 115 O 0.00000000000000 0.90898808029261 0.14444405835105 15.999 > 79 116 O 0.33333333333333 0.90898808029261 0.14444405835105 15.999 > 79 117 O 0.66666666666667 0.90898808029261 0.14444405835105 15.999 > 79 118 O 0.00000000000000 0.65980623364941 0.04881365938629 15.999 > 82 119 O 0.33333333333333 0.65980623364941 0.04881365938629 15.999 > 82 120 O 0.66666666666667 0.65980623364941 0.04881365938629 15.999 > 82 121 O 0.16666666666667 0.84019376635059 0.95118634061371 15.999 > 85 122 O 0.50000000000000 0.84019376635059 0.95118634061371 15.999 > 85 123 O 0.83333333333333 0.84019376635059 0.95118634061371 15.999 > 85 124 O 0.16666666666667 0.65980623364941 0.45118634061371 15.999 > 88 125 O 0.50000000000000 0.65980623364941 0.45118634061371 15.999 > 88 126 O 0.83333333333333 0.65980623364941 0.45118634061371 15.999 > 88 127 O 0.00000000000000 0.84019376635059 0.54881365938629 15.999 > 91 128 O 0.33333333333333 0.84019376635059 0.54881365938629 15.999 > 91 129 O 0.66666666666667 0.84019376635059 0.54881365938629 15.999 > 91 130 O 0.00000000000000 0.59101191970739 0.64444405835105 15.999 > 94 131 O 0.33333333333333 0.59101191970739 0.64444405835105 15.999 > 94 132 O 0.66666666666667 0.59101191970739 0.64444405835105 15.999 > 94 133 O 0.16666666666667 0.90898808029261 0.35555594164895 15.999 > 97 134 O 0.50000000000000 0.90898808029261 0.35555594164895 15.999 > 97 135 O 0.83333333333333 0.90898808029261 0.35555594164895 15.999 > 97 136 O 0.16666666666667 0.59101191970739 0.85555594164895 15.999 > 100 137 O 0.50000000000000 0.59101191970739 0.85555594164895 15.999 > 100 138 O 0.83333333333333 0.59101191970739 0.85555594164895 15.999 > 100 139 O 0.08333333333333 0.70608422542974 0.25000000000000 15.999 > 103 140 O 0.41666666666667 0.70608422542974 0.25000000000000 15.999 > 103 141 O 0.75000000000000 0.70608422542974 0.25000000000000 15.999 > 103 142 O 0.25000000000000 0.79391577457026 0.75000000000000 15.999 > 106 143 O 0.58333333333333 0.79391577457026 0.75000000000000 15.999 > 106 144 O 0.91666666666667 0.79391577457026 0.75000000000000 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2234140 0.0000000 0.0000000 0.0000000 3.0619213 0.0000000 0.0000000 0.0000000 3.3293713 -------------------------- Born effective charges -------------------------- 1 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 2 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 3 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 4 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 5 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 0.0632303 0.0000000 -0.0654934 1.2520743 6 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 0.0902089 0.0000000 0.0565462 1.2657286 7 Rb 1.1809971 0.0000000 0.0000000 0.0000000 1.2591608 -0.0632303 0.0000000 0.0654934 1.2520743 8 Rb 1.1626716 0.0000000 0.0000000 0.0000000 1.1973659 -0.0902089 0.0000000 -0.0565462 1.2657286 9 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 10 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 11 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 -0.1598667 0.0000000 0.2627328 3.1197073 12 Sn 3.3681185 0.0000000 0.0000000 0.0000000 2.4619732 0.1598667 0.0000000 -0.2627328 3.1197073 13 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 14 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 15 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 16 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 17 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 -0.2250489 0.0000000 -0.3768717 -2.0552835 18 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 19 O -1.5426453 0.0000000 0.0000000 0.0000000 -1.7324685 0.2250489 0.0000000 0.3768717 -2.0552835 20 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 21 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 -0.0773270 0.0000000 -0.2725564 -1.6375023 22 O -1.4819364 0.0000000 0.0000000 0.0000000 -1.9710237 0.0773270 0.0000000 0.2725564 -1.6375023 23 O -2.6872055 0.0000000 -1.0683621 0.0000000 -1.2150077 0.0000000 -0.8026421 0.0000000 -1.9447244 24 O -2.6872055 0.0000000 1.0683621 0.0000000 -1.2150077 0.0000000 0.8026421 0.0000000 -1.9447244 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 0.862 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.128 ( 0.000 0.000 0.000) 0.000 18.698 ( 0.000 0.000 0.000) 0.000 19.087 ( 0.000 0.000 0.000) 0.000 19.088 ( 0.000 0.000 0.000) 0.000 19.231 ( 0.000 0.000 0.000) 0.000 19.411 ( 0.000 0.000 0.000) 0.000 19.418 ( 0.000 0.000 0.000) 0.000 19.527 ( 0.000 0.000 0.000) 0.000 19.533 ( 0.000 0.000 0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 19.934 ( 0.000 0.000 0.000) 0.000 21.946 ( 0.000 0.000 0.000) 0.000 22.280 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 15.438 -4.477 0.000) 16.074 0.387 ( 12.264 -17.892 0.000) 21.692 0.723 ( 33.581 -8.200 0.000) 34.568 1.145 ( 23.648 -1.446 0.000) 23.692 1.233 ( 2.776 -2.424 0.000) 3.685 1.299 ( 2.309 -2.145 0.000) 3.151 1.396 ( 5.118 -2.388 0.000) 5.648 1.519 ( 4.629 0.331 0.000) 4.641 1.614 ( 4.391 -6.531 0.000) 7.870 1.746 ( 1.002 1.839 0.000) 2.094 1.875 ( -1.131 0.161 0.000) 1.142 2.033 ( 5.261 1.199 0.000) 5.396 2.038 ( -0.873 -3.670 0.000) 3.773 2.156 ( 0.258 5.321 0.000) 5.327 2.240 ( -0.059 -0.517 0.000) 0.521 2.275 ( -4.674 0.836 0.000) 4.748 2.361 ( -5.548 0.626 0.000) 5.583 2.418 ( -0.756 -1.400 0.000) 1.591 2.497 ( -5.071 0.436 0.000) 5.090 2.525 ( -2.005 6.045 0.000) 6.369 2.585 ( -1.088 3.026 0.000) 3.215 2.614 ( -2.629 -0.463 0.000) 2.670 2.764 ( 1.247 4.831 0.000) 4.990 2.823 ( 1.642 0.799 0.000) 1.826 2.881 ( 1.011 -1.433 0.000) 1.754 2.935 ( 7.352 -0.059 0.000) 7.352 2.987 ( 1.682 0.046 0.000) 1.683 3.053 ( -0.833 0.607 0.000) 1.030 3.103 ( -3.166 -9.582 0.000) 10.091 3.269 ( 0.059 2.382 0.000) 2.383 3.365 ( 14.457 0.166 0.000) 14.458 3.417 ( 0.892 0.336 0.000) 0.953 3.453 ( 1.832 -2.821 0.000) 3.364 3.582 ( -1.565 3.661 0.000) 3.981 3.604 ( 14.126 -0.469 0.000) 14.134 3.805 ( 4.705 -3.107 0.000) 5.639 4.337 ( -0.588 -1.211 0.000) 1.347 4.463 ( 0.276 0.537 0.000) 0.604 4.605 ( 12.279 -1.000 0.000) 12.320 4.792 ( 8.201 0.405 0.000) 8.211 4.845 ( 6.793 0.952 0.000) 6.859 5.115 ( 0.708 0.050 0.000) 0.709 5.614 ( -0.090 -1.530 0.000) 1.533 5.701 ( -1.372 -0.847 0.000) 1.612 5.783 ( -6.600 2.235 0.000) 6.968 5.841 ( -6.124 1.954 0.000) 6.428 6.446 ( -6.431 -0.016 0.000) 6.431 6.587 ( 6.035 -3.145 0.000) 6.806 6.719 ( -5.205 -0.860 0.000) 5.275 6.836 ( 0.856 -0.282 0.000) 0.901 7.021 ( -7.258 -0.079 0.000) 7.258 7.717 ( 5.230 1.157 0.000) 5.356 7.730 ( 0.290 3.733 0.000) 3.744 7.969 ( 25.883 47.718 0.000) 54.286 8.163 ( 15.465 27.179 0.000) 31.271 8.743 ( -12.132 2.124 0.000) 12.317 9.465 ( 3.333 0.059 0.000) 3.334 9.537 ( 12.233 0.493 0.000) 12.243 10.026 ( -2.062 -3.479 0.000) 4.044 10.293 ( -14.270 -26.728 0.000) 30.299 18.704 ( 0.505 -0.327 0.000) 0.601 19.020 ( -5.866 -0.271 0.000) 5.873 19.179 ( -1.527 7.474 0.000) 7.629 19.379 ( 2.068 18.942 0.000) 19.055 19.420 ( 0.191 -1.865 0.000) 1.875 19.430 ( 0.555 0.325 0.000) 0.643 19.551 ( -0.884 -4.853 0.000) 4.932 19.696 ( -1.481 -10.579 0.000) 10.682 20.060 ( 18.381 3.485 0.000) 18.708 20.719 ( 5.633 0.441 0.000) 5.650 21.912 ( -3.552 -0.016 0.000) 3.552 22.197 ( -7.955 1.290 0.000) 8.059 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 14.825 -6.142 0.000) 16.047 0.763 ( 12.552 -15.177 0.000) 19.696 1.315 ( 4.504 -1.376 0.000) 4.709 1.352 ( 26.200 -8.090 0.000) 27.420 1.425 ( 6.572 -5.807 0.000) 8.770 1.508 ( 10.915 -0.565 0.000) 10.930 1.568 ( 9.596 0.785 0.000) 9.628 1.592 ( 4.456 1.114 0.000) 4.593 1.761 ( 3.453 -1.940 0.000) 3.960 1.783 ( 5.825 -6.700 0.000) 8.878 1.887 ( 2.771 -1.068 0.000) 2.970 2.034 ( -4.055 3.971 0.000) 5.676 2.068 ( -2.205 -1.551 0.000) 2.696 2.088 ( 2.708 5.399 0.000) 6.040 2.173 ( -4.226 0.444 0.000) 4.250 2.223 ( -4.986 0.647 0.000) 5.028 2.251 ( -4.296 0.854 0.000) 4.380 2.383 ( -3.910 -2.624 0.000) 4.708 2.444 ( -2.617 3.974 0.000) 4.758 2.469 ( 1.181 -4.785 0.000) 4.929 2.528 ( -0.548 4.344 0.000) 4.378 2.539 ( -5.601 0.904 0.000) 5.674 2.740 ( -2.223 -3.699 0.000) 4.316 2.861 ( 3.055 0.263 0.000) 3.066 2.913 ( 1.254 -1.063 0.000) 1.644 2.982 ( -5.200 2.401 0.000) 5.728 3.003 ( 0.081 0.940 0.000) 0.944 3.064 ( 6.029 1.594 0.000) 6.236 3.147 ( 3.032 0.072 0.000) 3.033 3.268 ( 2.019 2.639 0.000) 3.323 3.422 ( 0.613 1.247 0.000) 1.389 3.461 ( -3.520 0.531 0.000) 3.559 3.594 ( 5.283 -2.428 0.000) 5.814 3.754 ( 25.494 0.681 0.000) 25.503 3.941 ( 20.627 -0.051 0.000) 20.627 3.946 ( 7.524 -2.209 0.000) 7.841 4.341 ( 2.052 2.664 0.000) 3.362 4.480 ( 2.918 0.930 0.000) 3.062 4.894 ( 16.963 -0.301 0.000) 16.965 4.974 ( 11.056 0.902 0.000) 11.092 4.992 ( 9.745 1.272 0.000) 9.827 5.131 ( 1.230 0.693 0.000) 1.412 5.626 ( -7.331 2.341 0.000) 7.696 5.638 ( 0.300 -3.198 0.000) 3.212 5.696 ( -6.693 1.860 0.000) 6.947 5.701 ( 1.140 -1.449 0.000) 1.844 6.297 ( -8.749 0.458 0.000) 8.761 6.592 ( -9.997 -1.725 0.000) 10.144 6.729 ( 0.647 1.027 0.000) 1.214 6.780 ( -13.881 -0.032 0.000) 13.881 6.852 ( -0.602 -5.948 0.000) 5.978 7.691 ( -0.499 4.768 0.000) 4.794 7.845 ( 9.751 2.870 0.000) 10.165 8.025 ( 16.013 27.135 0.000) 31.507 8.229 ( 9.704 10.422 0.000) 14.241 8.534 ( -6.853 2.981 0.000) 7.473 9.550 ( 5.813 0.124 0.000) 5.814 9.749 ( 11.149 1.088 0.000) 11.201 10.010 ( -3.990 -5.184 0.000) 6.542 10.261 ( -7.999 -12.168 0.000) 14.562 18.724 ( 1.098 -0.842 0.000) 1.384 18.919 ( -5.238 -1.003 0.000) 5.333 19.066 ( -2.436 8.566 0.000) 8.906 19.223 ( -3.461 11.388 0.000) 11.902 19.446 ( 0.338 -1.640 0.000) 1.675 19.449 ( 0.823 -2.163 0.000) 2.314 19.573 ( -1.378 -4.613 0.000) 4.815 19.737 ( -5.340 -11.898 0.000) 13.041 20.433 ( 22.971 1.381 0.000) 23.013 20.867 ( 13.554 6.373 0.000) 14.978 21.822 ( -6.233 -0.246 0.000) 6.238 21.995 ( -11.924 1.230 0.000) 11.987 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 12.523 -7.721 0.000) 14.712 1.110 ( 12.144 -10.845 0.000) 16.282 1.422 ( 5.681 -1.445 0.000) 5.862 1.564 ( -0.798 5.000 0.000) 5.063 1.599 ( 6.566 -3.037 0.000) 7.234 1.678 ( 6.475 0.243 0.000) 6.479 1.689 ( 6.864 -1.959 0.000) 7.137 1.757 ( 9.909 -3.683 0.000) 10.572 1.837 ( -3.086 1.551 0.000) 3.453 1.891 ( -3.185 2.032 0.000) 3.778 1.897 ( 1.650 -1.193 0.000) 2.036 1.981 ( 1.142 -5.814 0.000) 5.925 2.028 ( -4.167 6.393 0.000) 7.631 2.095 ( -6.556 0.430 0.000) 6.570 2.147 ( 3.973 -4.094 0.000) 5.704 2.162 ( -2.641 0.916 0.000) 2.796 2.164 ( 7.756 -1.281 0.000) 7.861 2.330 ( -3.272 1.763 0.000) 3.717 2.370 ( -3.342 1.040 0.000) 3.500 2.413 ( -4.119 1.545 0.000) 4.399 2.527 ( 3.039 -0.165 0.000) 3.043 2.573 ( 2.882 -5.117 0.000) 5.872 2.752 ( -2.180 -6.929 0.000) 7.264 2.835 ( -6.190 3.412 0.000) 7.069 2.940 ( 3.092 -2.731 0.000) 4.125 2.952 ( 1.793 -0.834 0.000) 1.977 2.978 ( -0.233 2.831 0.000) 2.841 3.092 ( -1.058 2.946 0.000) 3.130 3.194 ( 2.903 2.221 0.000) 3.655 3.277 ( 1.680 3.815 0.000) 4.169 3.382 ( -3.849 -0.108 0.000) 3.851 3.410 ( -0.162 2.467 0.000) 2.472 3.762 ( 8.361 -4.932 0.000) 9.707 4.098 ( 6.489 -1.771 0.000) 6.726 4.125 ( 10.914 2.584 0.000) 11.215 4.220 ( 6.549 3.511 0.000) 7.430 4.474 ( 18.353 0.903 0.000) 18.376 4.622 ( 16.147 0.888 0.000) 16.171 5.120 ( 2.984 1.215 0.000) 3.222 5.145 ( 1.927 1.005 0.000) 2.173 5.170 ( 10.227 -0.293 0.000) 10.231 5.184 ( 14.665 2.416 0.000) 14.863 5.497 ( -4.397 1.896 0.000) 4.789 5.603 ( -1.086 0.827 0.000) 1.365 5.680 ( 3.199 -0.510 0.000) 3.239 5.782 ( 3.117 -5.326 0.000) 6.171 6.154 ( -5.007 0.276 0.000) 5.015 6.364 ( -17.212 -2.858 0.000) 17.448 6.397 ( -23.508 -0.630 0.000) 23.517 6.599 ( -9.549 3.294 0.000) 10.102 7.055 ( 9.606 -8.220 0.000) 12.643 7.620 ( -2.214 6.291 0.000) 6.669 7.988 ( 8.463 3.941 0.000) 9.335 8.071 ( 9.063 14.641 0.000) 17.219 8.321 ( 6.980 4.262 0.000) 8.178 8.445 ( -0.669 2.774 0.000) 2.853 9.668 ( 7.086 0.572 0.000) 7.109 9.924 ( 9.146 1.435 0.000) 9.258 9.968 ( -5.464 -4.909 0.000) 7.345 10.217 ( -6.129 -6.998 0.000) 9.302 18.761 ( 1.828 -1.541 0.000) 2.391 18.851 ( -3.516 -1.861 0.000) 3.978 18.953 ( -2.064 6.872 0.000) 7.175 19.066 ( -4.436 7.148 0.000) 8.413 19.468 ( 0.606 -1.209 0.000) 1.352 19.483 ( 0.545 -2.101 0.000) 2.170 19.586 ( 0.139 -1.468 0.000) 1.474 19.717 ( -6.903 -9.576 0.000) 11.805 20.837 ( 21.741 1.467 0.000) 21.790 21.088 ( 15.689 5.502 0.000) 16.626 21.690 ( -8.733 -0.528 0.000) 8.749 21.758 ( -12.965 0.083 0.000) 12.965 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 6.847 -8.323 0.000) 10.778 1.325 ( 3.301 3.030 0.000) 4.481 1.551 ( 7.102 -1.719 0.000) 7.307 1.572 ( 4.961 -5.861 0.000) 7.679 1.692 ( 3.875 2.822 0.000) 4.794 1.718 ( -6.800 2.730 0.000) 7.328 1.771 ( -2.211 -1.188 0.000) 2.510 1.810 ( -0.008 2.838 0.000) 2.838 1.815 ( 1.841 0.035 0.000) 1.841 1.844 ( -2.260 0.944 0.000) 2.449 1.875 ( -1.707 4.630 0.000) 4.935 1.875 ( 0.373 -3.770 0.000) 3.788 1.995 ( -1.155 0.610 0.000) 1.306 2.005 ( -3.577 -1.002 0.000) 3.714 2.155 ( 1.453 -0.632 0.000) 1.584 2.209 ( 0.936 -4.316 0.000) 4.416 2.234 ( -5.679 2.427 0.000) 6.176 2.262 ( -1.450 3.283 0.000) 3.589 2.409 ( 7.956 -2.926 0.000) 8.477 2.505 ( 9.737 -4.846 0.000) 10.876 2.542 ( -3.127 2.187 0.000) 3.816 2.635 ( -0.128 -0.421 0.000) 0.440 2.740 ( 0.323 2.038 0.000) 2.063 2.758 ( -3.697 -6.001 0.000) 7.048 2.921 ( 0.389 5.156 0.000) 5.171 2.957 ( -6.072 -1.527 0.000) 6.261 3.026 ( 3.327 -0.179 0.000) 3.332 3.044 ( 0.128 -1.653 0.000) 1.657 3.220 ( 1.211 -0.758 0.000) 1.429 3.259 ( 0.766 5.706 0.000) 5.757 3.342 ( -1.419 -2.901 0.000) 3.229 3.373 ( -0.921 3.262 0.000) 3.390 3.959 ( 7.215 -6.030 0.000) 9.403 4.115 ( -3.430 5.906 0.000) 6.830 4.203 ( 2.966 -2.257 0.000) 3.727 4.248 ( 0.680 3.023 0.000) 3.098 4.828 ( 17.999 0.832 0.000) 18.018 4.956 ( 14.828 -0.178 0.000) 14.829 5.068 ( -7.735 -0.074 0.000) 7.735 5.122 ( -4.532 0.441 0.000) 4.553 5.334 ( 5.213 -2.325 0.000) 5.708 5.419 ( -2.583 2.454 0.000) 3.562 5.453 ( 19.404 2.131 0.000) 19.520 5.642 ( 3.771 1.268 0.000) 3.978 5.769 ( 3.906 1.705 0.000) 4.262 5.846 ( 3.747 -1.749 0.000) 4.135 5.945 ( -24.395 -2.066 0.000) 24.483 6.064 ( -17.462 -3.052 0.000) 17.727 6.180 ( 6.799 -2.912 0.000) 7.396 6.381 ( -10.242 3.972 0.000) 10.985 7.297 ( 8.043 -8.615 0.000) 11.786 7.491 ( -4.948 7.992 0.000) 9.399 8.073 ( 3.676 1.963 0.000) 4.167 8.094 ( 2.429 4.391 0.000) 5.018 8.396 ( 3.113 0.384 0.000) 3.137 8.428 ( 0.093 1.803 0.000) 1.805 9.791 ( 7.201 1.739 0.000) 7.408 9.895 ( -6.539 -3.434 0.000) 7.386 10.060 ( 7.406 2.302 0.000) 7.756 10.155 ( -6.131 -4.111 0.000) 7.382 18.813 ( 1.983 -0.807 0.000) 2.141 18.825 ( -1.618 -2.668 0.000) 3.120 18.885 ( 0.245 2.837 0.000) 2.848 18.940 ( -3.715 4.128 0.000) 5.553 19.488 ( 0.983 0.176 0.000) 0.999 19.497 ( -0.834 -1.719 0.000) 1.911 19.614 ( 3.661 2.755 0.000) 4.582 19.666 ( -6.063 -6.279 0.000) 8.729 21.192 ( 18.159 1.217 0.000) 18.200 21.327 ( 14.117 3.283 0.000) 14.493 21.484 ( -14.396 -0.523 0.000) 14.406 21.540 ( -11.703 -1.736 0.000) 11.831 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 15.363 0.000 0.000) 15.363 0.599 ( 17.044 0.000 0.000) 17.044 1.278 ( 28.216 0.000 0.000) 28.216 1.330 ( 8.200 0.000 0.000) 8.200 1.346 ( 4.564 0.000 0.000) 4.564 1.515 ( 8.881 0.000 0.000) 8.881 1.550 ( 16.563 0.000 0.000) 16.563 1.656 ( 5.473 0.000 0.000) 5.473 1.666 ( 7.661 0.000 0.000) 7.661 1.805 ( 3.809 0.000 0.000) 3.809 1.829 ( -2.119 -0.000 0.000) 2.119 2.028 ( 2.446 0.000 0.000) 2.446 2.106 ( -7.301 -0.000 0.000) 7.301 2.151 ( 4.630 0.000 0.000) 4.630 2.183 ( -5.698 -0.000 0.000) 5.698 2.227 ( -4.678 -0.000 0.000) 4.678 2.244 ( -3.140 -0.000 0.000) 3.140 2.356 ( -5.825 -0.000 0.000) 5.825 2.426 ( -0.502 -0.000 0.000) 0.502 2.489 ( -4.814 -0.000 0.000) 4.814 2.557 ( -3.537 -0.000 0.000) 3.537 2.569 ( -1.907 -0.000 0.000) 1.907 2.688 ( -5.826 -0.000 0.000) 5.826 2.868 ( 2.835 0.000 0.000) 2.835 2.896 ( 1.529 0.000 0.000) 1.529 3.001 ( -5.347 -0.000 0.000) 5.347 3.030 ( 0.371 0.000 0.000) 0.371 3.084 ( 7.273 0.000 0.000) 7.273 3.132 ( 5.958 0.000 0.000) 5.958 3.291 ( 1.402 0.000 0.000) 1.402 3.433 ( 1.053 0.000 0.000) 1.053 3.457 ( -2.144 -0.000 0.000) 2.144 3.583 ( 2.716 0.000 0.000) 2.716 3.760 ( 25.615 0.000 0.000) 25.615 3.921 ( 8.225 0.000 0.000) 8.225 3.941 ( 21.079 0.000 0.000) 21.079 4.362 ( 2.674 0.000 0.000) 2.674 4.486 ( 2.652 0.000 0.000) 2.652 4.891 ( 18.134 0.000 0.000) 18.134 4.982 ( 11.090 0.000 0.000) 11.090 5.003 ( 9.287 0.000 0.000) 9.287 5.137 ( 1.546 0.000 0.000) 1.546 5.603 ( -0.097 -0.000 0.000) 0.097 5.647 ( -8.047 -0.000 0.000) 8.047 5.691 ( 0.928 0.000 0.000) 0.928 5.715 ( -7.564 -0.000 0.000) 7.564 6.301 ( -8.594 -0.000 0.000) 8.594 6.576 ( -10.329 -0.000 0.000) 10.329 6.732 ( 10.434 0.000 0.000) 10.434 6.785 ( -17.991 -0.000 0.000) 17.991 6.797 ( -5.415 -0.000 0.000) 5.415 7.733 ( -0.686 -0.000 0.000) 0.686 7.872 ( 10.145 0.000 0.000) 10.145 8.230 ( 7.100 0.000 0.000) 7.100 8.447 ( -1.580 -0.000 0.000) 1.580 8.560 ( -7.503 -0.000 0.000) 7.503 9.551 ( 5.886 0.000 0.000) 5.886 9.759 ( 11.088 0.000 0.000) 11.088 9.971 ( -2.871 -0.000 0.000) 2.871 10.097 ( -1.317 -0.000 0.000) 1.317 18.716 ( 0.957 0.000 0.000) 0.957 18.910 ( -5.448 -0.000 0.000) 5.448 19.165 ( -3.840 -0.000 0.000) 3.840 19.408 ( 0.024 0.000 0.000) 0.024 19.414 ( -9.516 -0.000 0.000) 9.516 19.431 ( 0.530 0.000 0.000) 0.530 19.532 ( 1.091 0.000 0.000) 1.091 19.546 ( -1.534 -0.000 0.000) 1.534 20.446 ( 22.549 0.000 0.000) 22.549 20.931 ( 12.944 0.000 0.000) 12.944 21.820 ( -6.331 -0.000 0.000) 6.331 22.007 ( -12.551 -0.000 0.000) 12.551 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 13.068 -2.782 0.000) 13.361 0.939 ( 16.103 -6.186 0.000) 17.250 1.436 ( 6.890 2.107 0.000) 7.205 1.534 ( 10.456 -3.460 0.000) 11.014 1.632 ( 7.963 -1.622 0.000) 8.127 1.650 ( -1.163 2.362 0.000) 2.632 1.733 ( 6.938 5.080 0.000) 8.599 1.762 ( 14.730 2.191 0.000) 14.893 1.828 ( 3.631 -1.766 0.000) 4.038 1.838 ( 5.773 -5.041 0.000) 7.664 1.901 ( 1.880 -1.190 0.000) 2.225 1.951 ( -5.958 1.456 0.000) 6.133 2.080 ( -3.080 -2.440 0.000) 3.930 2.088 ( -7.710 -0.501 0.000) 7.726 2.094 ( -8.102 1.259 0.000) 8.199 2.163 ( 9.481 0.430 0.000) 9.491 2.212 ( -1.065 3.857 0.000) 4.002 2.349 ( 1.799 -0.434 0.000) 1.851 2.384 ( -4.400 0.452 0.000) 4.423 2.457 ( 1.773 -4.627 0.000) 4.955 2.462 ( -5.085 3.692 0.000) 6.284 2.533 ( -0.940 -0.072 0.000) 0.943 2.617 ( -4.880 -6.675 0.000) 8.268 2.868 ( -8.211 0.590 0.000) 8.233 2.929 ( 3.824 0.424 0.000) 3.847 2.934 ( 2.053 -0.817 0.000) 2.210 3.019 ( -0.469 1.390 0.000) 1.467 3.151 ( 0.457 2.662 0.000) 2.701 3.224 ( 3.720 0.865 0.000) 3.819 3.317 ( 1.559 1.024 0.000) 1.865 3.381 ( -4.496 -0.371 0.000) 4.511 3.445 ( 0.569 1.123 0.000) 1.259 3.700 ( 7.847 -1.732 0.000) 8.036 4.067 ( 6.263 -1.230 0.000) 6.382 4.154 ( 12.499 0.797 0.000) 12.524 4.260 ( 8.419 1.087 0.000) 8.489 4.488 ( 15.859 0.471 0.000) 15.866 4.629 ( 15.575 0.083 0.000) 15.575 5.137 ( 3.544 0.532 0.000) 3.583 5.158 ( 0.577 0.394 0.000) 0.699 5.168 ( 8.457 0.016 0.000) 8.457 5.222 ( 17.243 1.500 0.000) 17.309 5.524 ( -4.348 0.891 0.000) 4.439 5.613 ( -1.707 0.280 0.000) 1.730 5.630 ( 2.435 -3.144 0.000) 3.976 5.739 ( 3.549 -0.365 0.000) 3.568 6.162 ( -5.184 0.373 0.000) 5.197 6.327 ( -17.356 -1.138 0.000) 17.394 6.385 ( -24.846 -0.460 0.000) 24.850 6.647 ( -9.172 1.614 0.000) 9.313 6.951 ( 10.896 -3.214 0.000) 11.360 7.703 ( -1.559 2.610 0.000) 3.040 8.044 ( 8.424 1.893 0.000) 8.634 8.294 ( 1.974 7.700 0.000) 7.949 8.382 ( -0.650 2.410 0.000) 2.496 8.474 ( -2.206 0.636 0.000) 2.296 9.676 ( 7.612 0.253 0.000) 7.616 9.914 ( -3.727 -1.026 0.000) 3.865 9.941 ( 9.180 0.513 0.000) 9.195 10.097 ( -2.456 -5.046 0.000) 5.612 18.741 ( 1.544 -0.603 0.000) 1.657 18.827 ( -3.910 -0.756 0.000) 3.982 19.062 ( -4.353 4.229 0.000) 6.069 19.202 ( -7.776 6.657 0.000) 10.236 19.427 ( 0.272 -2.869 0.000) 2.882 19.454 ( 1.576 -0.201 0.000) 1.588 19.550 ( -3.463 -7.742 0.000) 8.481 19.576 ( 3.485 -0.043 0.000) 3.486 20.856 ( 21.524 0.585 0.000) 21.532 21.162 ( 13.353 2.389 0.000) 13.565 21.684 ( -8.668 -0.179 0.000) 8.670 21.758 ( -14.141 0.009 0.000) 14.141 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 8.226 -4.688 0.000) 9.468 1.274 ( 13.343 -6.394 0.000) 14.796 1.553 ( 7.635 1.455 0.000) 7.772 1.575 ( -1.900 4.211 0.000) 4.619 1.741 ( 9.246 1.342 0.000) 9.343 1.741 ( -0.334 -1.349 0.000) 1.390 1.770 ( -3.932 2.214 0.000) 4.513 1.820 ( -1.617 -1.721 0.000) 2.361 1.828 ( 7.374 2.024 0.000) 7.647 1.863 ( -1.472 4.431 0.000) 4.669 1.865 ( -6.885 1.443 0.000) 7.035 1.943 ( -5.215 0.964 0.000) 5.304 2.005 ( -1.443 0.303 0.000) 1.474 2.011 ( 2.185 0.528 0.000) 2.248 2.127 ( 3.626 -5.204 0.000) 6.343 2.158 ( -0.428 1.821 0.000) 1.871 2.292 ( -5.483 4.359 0.000) 7.005 2.337 ( 0.299 4.768 0.000) 4.777 2.363 ( 8.275 -2.042 0.000) 8.523 2.431 ( 6.273 -2.994 0.000) 6.951 2.547 ( 0.392 -7.718 0.000) 7.728 2.553 ( 0.218 -1.391 0.000) 1.408 2.617 ( -2.810 -8.684 0.000) 9.127 2.720 ( -6.385 -2.532 0.000) 6.869 2.977 ( 1.292 0.770 0.000) 1.504 2.977 ( 0.397 2.779 0.000) 2.807 3.010 ( 1.649 -0.651 0.000) 1.773 3.065 ( -4.298 2.815 0.000) 5.137 3.246 ( 0.324 2.435 0.000) 2.456 3.307 ( -2.183 -0.698 0.000) 2.292 3.343 ( 1.021 2.826 0.000) 3.005 3.430 ( -0.296 2.628 0.000) 2.645 3.866 ( 6.924 -3.866 0.000) 7.930 4.156 ( 1.561 -2.651 0.000) 3.077 4.199 ( -2.666 3.229 0.000) 4.187 4.288 ( -0.847 1.527 0.000) 1.747 4.840 ( 18.538 0.499 0.000) 18.545 4.953 ( 13.978 -0.156 0.000) 13.979 5.068 ( -9.528 0.134 0.000) 9.529 5.126 ( -4.635 -0.038 0.000) 4.635 5.309 ( 6.108 -0.502 0.000) 6.129 5.469 ( -0.950 2.645 0.000) 2.810 5.493 ( 15.663 2.187 0.000) 15.815 5.660 ( 4.549 0.736 0.000) 4.608 5.771 ( 2.184 -3.074 0.000) 3.770 5.794 ( 9.167 -1.533 0.000) 9.294 5.909 ( -25.844 -1.633 0.000) 25.896 6.000 ( -18.819 -3.358 0.000) 19.116 6.163 ( 6.425 0.456 0.000) 6.441 6.451 ( -9.504 3.241 0.000) 10.041 7.173 ( 8.984 -4.987 0.000) 10.275 7.619 ( -3.787 5.706 0.000) 6.849 8.118 ( 1.405 2.597 0.000) 2.953 8.195 ( -3.838 6.444 0.000) 7.501 8.380 ( -1.116 -2.197 0.000) 2.464 8.439 ( -2.184 -0.225 0.000) 2.196 9.819 ( 8.538 1.270 0.000) 8.631 9.849 ( -4.723 -1.520 0.000) 4.962 10.079 ( -3.992 -3.921 0.000) 5.595 10.092 ( 8.076 1.253 0.000) 8.172 18.782 ( -2.218 -1.854 0.000) 2.890 18.785 ( 2.313 -1.386 0.000) 2.696 18.958 ( -2.590 3.973 0.000) 4.743 19.026 ( -5.861 4.884 0.000) 7.629 19.457 ( 0.433 -2.322 0.000) 2.362 19.488 ( 1.631 -0.180 0.000) 1.641 19.553 ( -2.494 -5.780 0.000) 6.295 19.657 ( 6.062 1.779 0.000) 6.317 21.211 ( 17.705 0.802 0.000) 17.723 21.378 ( 12.229 2.224 0.000) 12.429 21.478 ( -15.070 -0.034 0.000) 15.070 21.511 ( -12.543 -1.426 0.000) 12.624 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 2.370 -4.618 0.000) 5.191 1.381 ( -3.950 8.991 0.000) 9.821 1.585 ( -0.539 -1.084 0.000) 1.210 1.665 ( 1.046 0.606 0.000) 1.209 1.679 ( -5.771 3.020 0.000) 6.513 1.690 ( 3.720 -0.061 0.000) 3.720 1.708 ( -1.540 -3.247 0.000) 3.593 1.799 ( 0.167 2.391 0.000) 2.397 1.830 ( 0.346 -1.232 0.000) 1.280 1.851 ( 0.182 0.211 0.000) 0.278 1.852 ( -1.428 5.163 0.000) 5.357 1.950 ( 4.101 3.709 0.000) 5.530 2.002 ( 4.772 1.506 0.000) 5.004 2.014 ( -0.197 -0.933 0.000) 0.953 2.167 ( -3.248 1.402 0.000) 3.538 2.197 ( 4.299 -1.733 0.000) 4.635 2.231 ( 4.228 -0.292 0.000) 4.238 2.296 ( 0.067 5.591 0.000) 5.591 2.457 ( -7.413 2.160 0.000) 7.722 2.483 ( 2.566 -4.418 0.000) 5.109 2.548 ( -7.508 -1.967 0.000) 7.761 2.578 ( 1.898 -5.275 0.000) 5.606 2.675 ( 2.748 -3.658 0.000) 4.575 2.769 ( 3.615 -7.270 0.000) 8.119 2.845 ( -6.123 1.201 0.000) 6.239 2.993 ( 3.568 1.727 0.000) 3.964 3.045 ( 0.724 2.269 0.000) 2.382 3.077 ( 2.448 -1.530 0.000) 2.887 3.199 ( -2.983 1.334 0.000) 3.268 3.250 ( -4.133 0.796 0.000) 4.209 3.351 ( 1.997 1.696 0.000) 2.620 3.399 ( 0.179 3.174 0.000) 3.179 4.006 ( 3.458 -5.613 0.000) 6.593 4.062 ( -7.454 5.134 0.000) 9.051 4.180 ( -2.138 -4.464 0.000) 4.949 4.229 ( -4.413 0.655 0.000) 4.462 4.814 ( -17.722 -0.668 0.000) 17.734 4.959 ( -15.363 0.058 0.000) 15.363 5.070 ( 5.200 0.176 0.000) 5.203 5.111 ( 5.085 -0.734 0.000) 5.138 5.372 ( -10.832 0.465 0.000) 10.842 5.394 ( 3.523 -0.338 0.000) 3.539 5.437 ( -16.836 1.658 0.000) 16.917 5.615 ( -3.354 -1.727 0.000) 3.773 5.713 ( -7.848 -4.579 0.000) 9.087 5.855 ( 3.596 -0.165 0.000) 3.600 5.975 ( 22.768 1.222 0.000) 22.801 6.083 ( 17.532 -1.125 0.000) 17.568 6.253 ( -7.648 4.425 0.000) 8.836 6.341 ( 11.442 -0.109 0.000) 11.443 7.361 ( 5.962 -6.191 0.000) 8.595 7.457 ( -6.958 8.594 0.000) 11.058 8.048 ( -8.055 -0.861 0.000) 8.101 8.062 ( -7.008 0.852 0.000) 7.059 8.371 ( -2.913 -4.500 0.000) 5.361 8.373 ( -6.356 -1.892 0.000) 6.631 9.765 ( -5.796 -1.088 0.000) 5.897 9.958 ( 8.608 3.314 0.000) 9.223 10.014 ( -6.354 -2.615 0.000) 6.871 10.216 ( 7.416 2.680 0.000) 7.886 18.778 ( -0.727 -3.104 0.000) 3.188 18.846 ( 2.658 -1.055 0.000) 2.859 18.900 ( -3.995 2.890 0.000) 4.931 18.910 ( 0.589 1.390 0.000) 1.509 19.482 ( 0.798 -0.463 0.000) 0.923 19.503 ( -0.787 -1.344 0.000) 1.557 19.576 ( 1.746 -1.067 0.000) 2.046 19.762 ( 8.176 4.352 0.000) 9.263 21.171 ( -18.754 -1.049 0.000) 18.783 21.270 ( -15.998 -2.809 0.000) 16.243 21.494 ( 13.960 0.615 0.000) 13.974 21.569 ( 10.391 1.395 0.000) 10.484 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.426 10.982 0.000) 15.848 1.244 ( -4.635 2.908 0.000) 5.472 1.494 ( -2.710 6.186 0.000) 6.754 1.527 ( -3.423 1.479 0.000) 3.729 1.636 ( -1.756 1.919 0.000) 2.601 1.692 ( -6.747 -0.665 0.000) 6.779 1.721 ( -5.587 3.658 0.000) 6.678 1.819 ( 3.805 1.489 0.000) 4.086 1.854 ( 3.148 0.780 0.000) 3.244 1.860 ( 2.561 -6.470 0.000) 6.958 1.896 ( -3.149 7.295 0.000) 7.945 1.918 ( 2.552 -3.411 0.000) 4.259 2.063 ( 4.411 -3.157 0.000) 5.424 2.089 ( 4.831 4.677 0.000) 6.724 2.150 ( 0.762 -1.067 0.000) 1.312 2.207 ( -3.801 1.906 0.000) 4.252 2.229 ( -13.300 6.938 0.000) 15.001 2.306 ( 3.917 -1.132 0.000) 4.077 2.357 ( 7.006 -0.136 0.000) 7.007 2.399 ( -2.197 -0.259 0.000) 2.212 2.509 ( -2.807 -2.204 0.000) 3.569 2.621 ( -0.362 0.641 0.000) 0.736 2.759 ( 4.273 -4.427 0.000) 6.153 2.791 ( -2.865 -3.326 0.000) 4.390 2.904 ( 3.740 -5.875 0.000) 6.964 3.004 ( -1.118 5.603 0.000) 5.714 3.033 ( -4.196 6.080 0.000) 7.387 3.063 ( 2.659 0.094 0.000) 2.660 3.169 ( -3.593 -0.157 0.000) 3.596 3.185 ( -1.253 -5.918 0.000) 6.050 3.375 ( 0.726 -1.026 0.000) 1.257 3.397 ( 2.228 1.646 0.000) 2.770 3.857 ( -8.995 5.410 0.000) 10.496 4.059 ( -6.605 -4.833 0.000) 8.185 4.117 ( -7.209 0.208 0.000) 7.212 4.141 ( -6.897 -5.045 0.000) 8.545 4.460 ( -20.319 -0.650 0.000) 20.329 4.597 ( -18.568 -1.769 0.000) 18.652 5.098 ( -2.712 -1.186 0.000) 2.960 5.125 ( -3.162 -1.185 0.000) 3.377 5.139 ( -12.563 -2.528 0.000) 12.815 5.178 ( -13.668 0.465 0.000) 13.675 5.465 ( 3.755 -1.491 0.000) 4.040 5.585 ( 0.527 -1.168 0.000) 1.281 5.662 ( -1.382 -1.858 0.000) 2.315 5.883 ( -1.648 4.756 0.000) 5.033 6.163 ( 3.022 1.444 0.000) 3.349 6.396 ( 19.989 -1.020 0.000) 20.015 6.417 ( 19.258 2.624 0.000) 19.436 6.552 ( 10.644 -1.268 0.000) 10.720 7.224 ( -8.711 10.118 0.000) 13.351 7.500 ( 3.016 -6.570 0.000) 7.229 7.848 ( -18.282 -9.409 0.000) 20.561 7.923 ( -9.089 -2.889 0.000) 9.538 8.240 ( -11.027 -4.673 0.000) 11.976 8.371 ( -1.269 -5.600 0.000) 5.742 9.658 ( -6.356 -0.445 0.000) 6.372 9.893 ( -8.962 -1.934 0.000) 9.168 10.069 ( 7.695 5.846 0.000) 9.664 10.321 ( 7.723 4.569 0.000) 8.973 18.784 ( -1.583 0.024 0.000) 1.583 18.850 ( -0.494 -3.553 0.000) 3.587 18.886 ( 2.944 1.768 0.000) 3.435 18.967 ( 3.301 -3.879 0.000) 5.093 19.491 ( -1.301 -0.612 0.000) 1.438 19.493 ( 0.875 1.499 0.000) 1.735 19.624 ( 3.721 2.213 0.000) 4.329 19.870 ( 8.746 7.391 0.000) 11.451 20.808 ( -21.983 -1.649 0.000) 22.045 20.984 ( -18.591 -5.764 0.000) 19.464 21.702 ( 8.858 0.801 0.000) 8.894 21.755 ( 11.157 -0.269 0.000) 11.160 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -13.325 11.084 0.000) 17.332 1.029 ( -9.425 13.087 0.000) 16.127 1.393 ( -1.533 7.357 0.000) 7.515 1.473 ( -10.768 0.606 0.000) 10.786 1.534 ( -5.524 6.152 0.000) 8.268 1.536 ( -7.371 0.599 0.000) 7.395 1.613 ( -13.600 13.491 0.000) 19.156 1.620 ( -0.993 3.832 0.000) 3.959 1.852 ( -3.170 -2.895 0.000) 4.293 1.874 ( -2.804 3.059 0.000) 4.150 1.887 ( -6.549 8.400 0.000) 10.651 1.952 ( 1.887 -2.566 0.000) 3.185 1.977 ( -0.948 -7.009 0.000) 7.073 2.112 ( 3.109 1.187 0.000) 3.328 2.196 ( 3.702 -2.610 0.000) 4.529 2.198 ( 1.717 3.387 0.000) 3.798 2.212 ( 5.239 -3.208 0.000) 6.143 2.386 ( 1.463 -1.714 0.000) 2.254 2.404 ( 3.635 -4.486 0.000) 5.774 2.458 ( -1.913 1.256 0.000) 2.288 2.530 ( 7.691 -0.362 0.000) 7.700 2.565 ( -2.363 4.423 0.000) 5.014 2.752 ( -4.232 -2.814 0.000) 5.082 2.878 ( -1.122 0.804 0.000) 1.380 2.918 ( 1.679 -2.557 0.000) 3.059 2.946 ( 0.268 3.567 0.000) 3.577 3.004 ( 3.409 -1.028 0.000) 3.560 3.048 ( -4.311 -0.170 0.000) 4.314 3.120 ( -2.459 -1.459 0.000) 2.859 3.199 ( -2.569 -4.865 0.000) 5.501 3.393 ( -0.072 -1.810 0.000) 1.811 3.444 ( 2.742 -0.558 0.000) 2.798 3.666 ( -6.256 4.773 0.000) 7.869 3.736 ( -25.208 -1.286 0.000) 25.240 3.940 ( -18.911 -0.361 0.000) 18.914 3.975 ( -7.146 0.702 0.000) 7.180 4.264 ( -2.798 -5.677 0.000) 6.330 4.444 ( -3.552 -3.273 0.000) 4.830 4.897 ( -15.467 -0.206 0.000) 15.469 4.953 ( -10.970 -1.341 0.000) 11.052 4.959 ( -10.561 -2.320 0.000) 10.813 5.115 ( -0.520 -0.958 0.000) 1.090 5.572 ( 5.543 -3.376 0.000) 6.490 5.657 ( 5.009 -2.413 0.000) 5.560 5.670 ( 1.099 0.286 0.000) 1.136 5.767 ( -3.336 5.487 0.000) 6.422 6.288 ( 8.909 -0.334 0.000) 8.915 6.635 ( 9.566 2.887 0.000) 9.993 6.698 ( 5.705 -2.067 0.000) 6.068 6.782 ( 13.829 0.120 0.000) 13.829 6.996 ( -4.557 9.534 0.000) 10.567 7.502 ( -25.149 -18.458 0.000) 31.196 7.634 ( -4.508 -9.818 0.000) 10.803 7.783 ( -8.919 -3.587 0.000) 9.613 8.071 ( -12.957 -8.401 0.000) 15.443 8.454 ( 5.427 -5.963 0.000) 8.063 9.548 ( -5.655 -0.120 0.000) 5.656 9.723 ( -11.175 -1.716 0.000) 11.306 10.132 ( 5.617 7.758 0.000) 9.578 10.430 ( 9.920 6.626 0.000) 11.929 18.743 ( -1.454 1.229 0.000) 1.904 18.914 ( 1.020 -7.878 0.000) 7.943 18.942 ( 4.689 1.395 0.000) 4.893 19.070 ( 2.602 -6.026 0.000) 6.564 19.469 ( -0.978 0.620 0.000) 1.158 19.485 ( 0.300 2.645 0.000) 2.662 19.663 ( 3.654 4.687 0.000) 5.943 19.922 ( 3.665 9.096 0.000) 9.806 20.405 ( -23.026 -1.618 0.000) 23.083 20.735 ( -13.514 -8.043 0.000) 15.726 21.829 ( 5.959 0.478 0.000) 5.978 21.967 ( 10.421 -1.905 0.000) 10.593 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -11.951 11.323 0.000) 16.464 0.680 ( -16.598 13.080 0.000) 21.132 1.032 ( -15.990 23.293 0.000) 28.253 1.203 ( -21.197 5.532 0.000) 21.907 1.314 ( -0.077 6.805 0.000) 6.805 1.382 ( -3.976 7.105 0.000) 8.142 1.453 ( -3.235 3.021 0.000) 4.427 1.571 ( -0.148 5.687 0.000) 5.689 1.747 ( -4.754 7.173 0.000) 8.606 1.758 ( -0.382 4.392 0.000) 4.408 1.835 ( -1.898 -3.751 0.000) 4.203 1.990 ( -2.752 -3.600 0.000) 4.532 2.041 ( 0.279 -6.085 0.000) 6.091 2.139 ( 1.474 6.062 0.000) 6.238 2.235 ( 3.618 -3.274 0.000) 4.879 2.244 ( 0.280 -0.618 0.000) 0.679 2.334 ( 4.303 -2.668 0.000) 5.063 2.441 ( 2.599 -1.824 0.000) 3.175 2.458 ( 1.514 -2.071 0.000) 2.565 2.475 ( -0.998 -0.403 0.000) 1.077 2.515 ( 2.209 -0.584 0.000) 2.285 2.631 ( 3.366 1.096 0.000) 3.540 2.695 ( -5.654 -3.500 0.000) 6.650 2.809 ( -2.227 -0.224 0.000) 2.238 2.928 ( 0.133 2.888 0.000) 2.891 2.942 ( -5.574 0.802 0.000) 5.631 3.019 ( -0.545 3.201 0.000) 3.247 3.026 ( 2.579 -2.752 0.000) 3.771 3.164 ( 6.592 -2.170 0.000) 6.940 3.194 ( -2.171 -5.683 0.000) 6.084 3.351 ( -15.070 -1.389 0.000) 15.134 3.408 ( 0.480 -0.946 0.000) 1.061 3.490 ( 0.879 -1.680 0.000) 1.896 3.548 ( -2.505 3.399 0.000) 4.222 3.619 ( -13.497 1.126 0.000) 13.544 3.862 ( -3.530 2.274 0.000) 4.199 4.314 ( 2.542 -4.663 0.000) 5.311 4.439 ( -0.412 -2.345 0.000) 2.380 4.627 ( -12.322 0.704 0.000) 12.342 4.779 ( -8.043 -1.019 0.000) 8.107 4.815 ( -7.011 -2.288 0.000) 7.375 5.113 ( -0.239 -0.125 0.000) 0.270 5.662 ( -0.470 3.412 0.000) 3.444 5.712 ( 4.875 -5.201 0.000) 7.129 5.727 ( 2.741 1.883 0.000) 3.325 5.787 ( 5.211 -3.823 0.000) 6.463 6.445 ( 6.899 -0.067 0.000) 6.899 6.671 ( -3.111 5.197 0.000) 6.057 6.744 ( 3.799 1.447 0.000) 4.065 6.857 ( -0.458 2.596 0.000) 2.636 7.012 ( -54.685 -33.816 0.000) 64.296 7.026 ( 6.366 0.604 0.000) 6.394 7.681 ( -4.542 -2.531 0.000) 5.200 7.684 ( 0.238 -4.868 0.000) 4.874 7.946 ( -9.318 -11.619 0.000) 14.893 8.669 ( 10.932 -6.019 0.000) 12.479 9.463 ( -3.426 -0.140 0.000) 3.428 9.521 ( -11.582 -1.128 0.000) 11.637 10.138 ( 2.790 8.175 0.000) 8.638 10.581 ( 13.650 7.440 0.000) 15.546 18.715 ( -0.656 0.824 0.000) 1.053 19.012 ( 0.870 -9.766 0.000) 9.805 19.028 ( 5.266 0.602 0.000) 5.300 19.144 ( -2.237 -7.191 0.000) 7.531 19.447 ( -0.536 1.243 0.000) 1.354 19.458 ( -0.741 2.291 0.000) 2.408 19.667 ( 2.139 6.723 0.000) 7.055 19.817 ( -7.172 5.117 0.000) 8.810 20.022 ( -18.279 -0.580 0.000) 18.288 20.676 ( 0.698 -4.363 0.000) 4.418 21.913 ( 3.377 0.072 0.000) 3.378 22.155 ( 7.040 -3.154 0.000) 7.715 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.215 ( 0.000 12.953 0.000) 12.953 0.275 ( 0.000 15.363 0.000) 15.363 0.620 ( 0.000 33.977 0.000) 33.977 0.905 ( 0.000 4.673 0.000) 4.673 1.261 ( 0.000 7.476 0.000) 7.476 1.290 ( 0.000 2.148 0.000) 2.148 1.387 ( 0.000 4.704 0.000) 4.704 1.511 ( 0.000 6.210 0.000) 6.210 1.629 ( 0.000 7.192 0.000) 7.192 1.735 ( 0.000 0.983 0.000) 0.983 1.850 ( -0.000 -4.451 0.000) 4.451 1.973 ( -0.000 -1.045 0.000) 1.045 2.066 ( -0.000 -3.613 0.000) 3.613 2.095 ( 0.000 6.177 0.000) 6.177 2.244 ( 0.000 0.241 0.000) 0.241 2.328 ( -0.000 -5.774 0.000) 5.774 2.402 ( -0.000 -2.328 0.000) 2.328 2.441 ( 0.000 2.466 0.000) 2.466 2.503 ( 0.000 1.697 0.000) 1.697 2.542 ( -0.000 -7.154 0.000) 7.154 2.545 ( -0.000 -0.960 0.000) 0.960 2.586 ( -0.000 -1.755 0.000) 1.755 2.654 ( 0.000 1.781 0.000) 1.781 2.801 ( -0.000 -1.173 0.000) 1.173 2.868 ( 0.000 1.653 0.000) 1.653 2.901 ( 0.000 3.098 0.000) 3.098 2.984 ( 0.000 2.031 0.000) 2.031 3.051 ( -0.000 -0.263 0.000) 0.263 3.223 ( -0.000 -1.318 0.000) 1.318 3.233 ( -0.000 -5.643 0.000) 5.643 3.339 ( -0.000 -5.883 0.000) 5.883 3.439 ( 0.000 0.018 0.000) 0.018 3.470 ( 0.000 4.505 0.000) 4.505 3.475 ( 0.000 1.125 0.000) 1.125 3.549 ( -0.000 -5.061 0.000) 5.061 3.803 ( 0.000 4.043 0.000) 4.043 4.441 ( -0.000 -3.637 0.000) 3.637 4.475 ( -0.000 -0.399 0.000) 0.399 4.484 ( -0.000 -4.308 0.000) 4.308 4.707 ( -0.000 -0.657 0.000) 0.657 4.761 ( -0.000 -1.514 0.000) 1.514 5.110 ( 0.000 0.174 0.000) 0.174 5.631 ( 0.000 2.382 0.000) 2.382 5.813 ( -0.000 -5.309 0.000) 5.309 5.833 ( 0.000 0.267 0.000) 0.267 5.876 ( -0.000 -3.643 0.000) 3.643 6.132 ( 0.000 1.188 0.000) 1.188 6.513 ( 0.000 0.568 0.000) 0.568 6.578 ( 0.000 6.484 0.000) 6.484 6.779 ( -0.000 -0.378 0.000) 0.378 6.821 ( 0.000 2.503 0.000) 2.503 7.077 ( -0.000 -0.110 0.000) 0.110 7.662 ( -0.000 -1.679 0.000) 1.679 7.719 ( -0.000 -2.940 0.000) 2.940 7.960 ( -0.000 -10.855 0.000) 10.855 8.860 ( -0.000 -5.294 0.000) 5.294 9.385 ( -0.000 -0.134 0.000) 0.134 9.433 ( -0.000 -0.093 0.000) 0.093 10.095 ( 0.000 6.831 0.000) 6.831 10.749 ( -0.000 -0.141 0.000) 0.141 18.703 ( 0.000 0.534 0.000) 0.534 19.087 ( -0.000 -0.042 0.000) 0.042 19.088 ( -0.000 -0.002 0.000) 0.002 19.111 ( -0.000 -10.079 0.000) 10.079 19.430 ( 0.000 1.267 0.000) 1.267 19.432 ( 0.000 1.339 0.000) 1.339 19.622 ( 0.000 7.557 0.000) 7.557 19.676 ( 0.000 2.310 0.000) 2.310 19.829 ( 0.000 1.641 0.000) 1.641 20.759 ( -0.000 -3.424 0.000) 3.424 21.945 ( -0.000 -0.062 0.000) 0.062 22.253 ( -0.000 -2.922 0.000) 2.922 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 8.727 0.000 0.000) 8.727 1.206 ( 15.011 0.000 0.000) 15.011 1.573 ( 7.092 0.000 0.000) 7.092 1.622 ( -1.784 -0.000 0.000) 1.784 1.728 ( 2.053 0.000 0.000) 2.053 1.743 ( 12.604 0.000 0.000) 12.604 1.791 ( -2.056 -0.000 0.000) 2.056 1.803 ( -4.804 -0.000 0.000) 4.804 1.852 ( -2.738 -0.000 0.000) 2.738 1.897 ( 0.162 0.000 0.000) 0.162 1.955 ( -2.098 -0.000 0.000) 2.098 1.960 ( -0.427 -0.000 0.000) 0.427 1.978 ( -0.238 -0.000 0.000) 0.238 1.981 ( -4.357 -0.000 0.000) 4.357 2.065 ( 11.990 0.000 0.000) 11.990 2.195 ( -3.080 -0.000 0.000) 3.080 2.343 ( 7.762 0.000 0.000) 7.762 2.366 ( 0.026 0.000 0.000) 0.026 2.396 ( 1.575 0.000 0.000) 1.575 2.397 ( -4.378 -0.000 0.000) 4.378 2.453 ( 0.767 0.000 0.000) 0.767 2.510 ( 1.501 0.000 0.000) 1.501 2.520 ( 0.708 0.000 0.000) 0.708 2.698 ( -10.175 -0.000 0.000) 10.175 2.971 ( 2.277 0.000 0.000) 2.277 3.007 ( 4.082 0.000 0.000) 4.082 3.013 ( -0.396 -0.000 0.000) 0.396 3.097 ( -7.531 -0.000 0.000) 7.531 3.271 ( 0.719 0.000 0.000) 0.719 3.310 ( -2.799 -0.000 0.000) 2.799 3.359 ( 2.256 0.000 0.000) 2.256 3.455 ( -0.180 -0.000 0.000) 0.180 3.833 ( 7.009 0.000 0.000) 7.009 4.128 ( 0.764 0.000 0.000) 0.764 4.227 ( -1.968 -0.000 0.000) 1.968 4.302 ( -1.771 -0.000 0.000) 1.771 4.845 ( 18.824 0.000 0.000) 18.824 4.952 ( 13.597 0.000 0.000) 13.597 5.070 ( -10.292 -0.000 0.000) 10.292 5.124 ( -4.641 -0.000 0.000) 4.641 5.307 ( 7.094 0.000 0.000) 7.094 5.495 ( 0.004 0.000 0.000) 0.004 5.518 ( 12.077 0.000 0.000) 12.077 5.666 ( 5.312 0.000 0.000) 5.312 5.721 ( 11.356 0.000 0.000) 11.356 5.789 ( 2.731 0.000 0.000) 2.731 5.894 ( -27.069 -0.000 0.000) 27.069 5.966 ( -19.563 -0.000 0.000) 19.563 6.171 ( 6.684 0.000 0.000) 6.684 6.481 ( -9.296 -0.000 0.000) 9.296 7.128 ( 9.394 0.000 0.000) 9.394 7.673 ( -3.269 -0.000 0.000) 3.269 8.145 ( 0.719 0.000 0.000) 0.719 8.284 ( -7.706 -0.000 0.000) 7.706 8.333 ( -2.265 -0.000 0.000) 2.265 8.434 ( -3.116 -0.000 0.000) 3.116 9.831 ( 9.069 0.000 0.000) 9.069 9.838 ( -4.267 -0.000 0.000) 4.267 10.039 ( -2.507 -0.000 0.000) 2.507 10.103 ( 8.301 0.000 0.000) 8.301 18.765 ( -2.448 -0.000 0.000) 2.448 18.772 ( 2.238 0.000 0.000) 2.238 18.997 ( -3.925 -0.000 0.000) 3.925 19.079 ( -7.755 -0.000 0.000) 7.755 19.433 ( 1.620 0.000 0.000) 1.620 19.478 ( -1.348 -0.000 0.000) 1.348 19.500 ( 3.159 0.000 0.000) 3.159 19.673 ( 6.749 0.000 0.000) 6.749 21.218 ( 17.538 0.000 0.000) 17.538 21.398 ( 11.409 0.000 0.000) 11.409 21.480 ( -16.184 -0.000 0.000) 16.184 21.496 ( -12.022 -0.000 0.000) 12.022 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 4.069 -1.718 0.000) 4.417 1.455 ( 9.185 -1.442 0.000) 9.298 1.582 ( -1.930 4.507 0.000) 4.902 1.656 ( -4.425 -1.864 0.000) 4.801 1.687 ( 4.042 0.082 0.000) 4.043 1.703 ( -8.251 0.158 0.000) 8.252 1.750 ( -1.324 3.347 0.000) 3.600 1.811 ( 0.701 -0.614 0.000) 0.932 1.829 ( -1.843 1.001 0.000) 2.097 1.867 ( -0.422 2.489 0.000) 2.525 1.954 ( -2.821 -5.287 0.000) 5.992 1.976 ( 10.275 2.634 0.000) 10.607 2.002 ( 3.524 6.007 0.000) 6.965 2.038 ( 2.823 1.536 0.000) 3.214 2.168 ( 2.484 -1.779 0.000) 3.056 2.215 ( -1.892 1.760 0.000) 2.584 2.250 ( 0.900 3.805 0.000) 3.910 2.382 ( 0.049 -6.497 0.000) 6.497 2.400 ( 1.130 2.239 0.000) 2.508 2.435 ( -6.340 -0.933 0.000) 6.409 2.500 ( 5.816 -2.542 0.000) 6.347 2.509 ( -5.706 0.559 0.000) 5.734 2.608 ( 1.703 -8.921 0.000) 9.082 2.635 ( 6.592 -0.933 0.000) 6.658 2.904 ( -10.353 3.035 0.000) 10.789 3.011 ( 1.935 0.060 0.000) 1.936 3.026 ( 1.502 -1.787 0.000) 2.334 3.074 ( 2.924 0.528 0.000) 2.971 3.249 ( -2.155 2.028 0.000) 2.959 3.256 ( -3.055 0.476 0.000) 3.092 3.391 ( 1.365 1.369 0.000) 1.933 3.441 ( -0.354 1.335 0.000) 1.381 3.941 ( 3.696 -1.433 0.000) 3.964 4.105 ( -3.951 -3.081 0.000) 5.010 4.130 ( -7.041 2.276 0.000) 7.400 4.230 ( -5.811 -0.292 0.000) 5.819 4.806 ( -17.721 -0.209 0.000) 17.722 4.959 ( -15.377 -0.015 0.000) 15.377 5.074 ( 2.497 0.193 0.000) 2.505 5.100 ( 6.762 -0.423 0.000) 6.775 5.358 ( -18.606 -0.820 0.000) 18.624 5.400 ( 3.264 0.645 0.000) 3.327 5.506 ( -13.947 4.765 0.000) 14.738 5.586 ( -2.685 -1.194 0.000) 2.939 5.620 ( -5.970 -5.274 0.000) 7.966 5.851 ( 5.925 -0.129 0.000) 5.926 5.986 ( 18.983 0.096 0.000) 18.983 6.052 ( 20.967 -1.238 0.000) 21.004 6.312 ( -7.933 1.843 0.000) 8.144 6.356 ( 12.187 0.930 0.000) 12.222 7.285 ( 6.525 -2.190 0.000) 6.883 7.572 ( -6.212 3.620 0.000) 7.190 8.049 ( -11.076 0.448 0.000) 11.085 8.101 ( -9.681 2.856 0.000) 10.093 8.283 ( -4.879 -4.376 0.000) 6.554 8.342 ( -7.836 -1.225 0.000) 7.931 9.754 ( -5.112 -0.201 0.000) 5.115 9.977 ( -5.332 -1.291 0.000) 5.486 10.002 ( 9.858 1.328 0.000) 9.947 10.248 ( 7.931 0.902 0.000) 7.982 18.737 ( -1.135 -1.222 0.000) 1.668 18.824 ( 3.078 -0.742 0.000) 3.166 18.941 ( -1.229 1.194 0.000) 1.713 18.945 ( -5.635 1.619 0.000) 5.863 19.470 ( -0.501 -1.418 0.000) 1.504 19.474 ( 2.398 -0.287 0.000) 2.415 19.570 ( 4.329 0.005 0.000) 4.329 19.815 ( 9.233 1.537 0.000) 9.360 21.158 ( -19.219 -0.404 0.000) 19.223 21.234 ( -17.087 -1.101 0.000) 17.123 21.503 ( 13.745 0.268 0.000) 13.748 21.587 ( 9.446 0.533 0.000) 9.461 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 1.322 -1.042 0.000) 1.683 1.333 ( -10.111 10.916 0.000) 14.880 1.566 ( -5.734 1.495 0.000) 5.925 1.603 ( 1.612 3.973 0.000) 4.288 1.653 ( -1.638 -2.580 0.000) 3.056 1.675 ( -4.229 -1.015 0.000) 4.349 1.727 ( 3.825 0.721 0.000) 3.893 1.827 ( -0.750 3.236 0.000) 3.321 1.864 ( 4.724 2.782 0.000) 5.482 1.874 ( 1.576 -1.737 0.000) 2.346 1.913 ( -2.125 6.002 0.000) 6.367 1.984 ( 1.969 -5.475 0.000) 5.818 2.024 ( -0.675 5.500 0.000) 5.541 2.135 ( -1.086 -0.064 0.000) 1.088 2.150 ( 6.113 3.078 0.000) 6.844 2.214 ( -5.702 -0.537 0.000) 5.727 2.261 ( -1.800 -4.428 0.000) 4.780 2.342 ( 3.439 -2.766 0.000) 4.413 2.371 ( -7.915 6.679 0.000) 10.357 2.412 ( 2.031 2.564 0.000) 3.271 2.472 ( 3.646 -1.202 0.000) 3.839 2.609 ( 3.739 -1.708 0.000) 4.111 2.695 ( -5.041 -6.755 0.000) 8.428 2.710 ( 1.689 -0.739 0.000) 1.843 2.785 ( 2.446 -5.292 0.000) 5.829 3.048 ( 0.995 -0.343 0.000) 1.052 3.078 ( 0.614 -4.406 0.000) 4.449 3.099 ( 1.182 3.589 0.000) 3.778 3.158 ( -4.310 4.429 0.000) 6.180 3.182 ( -3.786 1.442 0.000) 4.052 3.380 ( -0.824 1.216 0.000) 1.469 3.432 ( 1.197 1.883 0.000) 2.231 3.944 ( -9.408 4.179 0.000) 10.294 3.974 ( -3.754 -3.680 0.000) 5.257 4.049 ( -7.429 -5.185 0.000) 9.059 4.105 ( -8.369 -1.417 0.000) 8.488 4.452 ( -20.398 -0.304 0.000) 20.400 4.567 ( -22.218 -1.366 0.000) 22.260 5.083 ( -2.029 -0.374 0.000) 2.064 5.098 ( -11.513 -1.823 0.000) 11.657 5.105 ( -4.547 -0.988 0.000) 4.653 5.183 ( -17.166 0.089 0.000) 17.166 5.447 ( 2.420 -0.619 0.000) 2.498 5.565 ( 0.471 -0.959 0.000) 1.068 5.629 ( 0.881 -1.563 0.000) 1.794 5.938 ( 1.354 1.639 0.000) 2.126 6.198 ( -0.221 2.018 0.000) 2.030 6.362 ( 18.657 -2.177 0.000) 18.783 6.447 ( 20.681 0.837 0.000) 20.698 6.562 ( 11.034 1.679 0.000) 11.161 7.385 ( -8.563 7.035 0.000) 11.082 7.405 ( 3.555 -3.820 0.000) 5.218 7.742 ( -23.084 -3.085 0.000) 23.289 7.901 ( -10.021 0.597 0.000) 10.039 8.166 ( -13.194 -3.308 0.000) 13.602 8.256 ( -2.634 -6.665 0.000) 7.166 9.654 ( -5.854 -0.078 0.000) 5.854 9.861 ( -8.616 -1.518 0.000) 8.748 10.158 ( 9.297 3.773 0.000) 10.033 10.378 ( 7.784 2.010 0.000) 8.040 18.743 ( -0.276 -2.685 0.000) 2.699 18.847 ( -3.598 1.233 0.000) 3.804 18.895 ( 3.602 -0.816 0.000) 3.693 18.938 ( 1.794 0.404 0.000) 1.839 19.476 ( -0.040 -0.766 0.000) 0.767 19.516 ( 2.329 1.027 0.000) 2.545 19.653 ( 4.966 1.002 0.000) 5.066 19.973 ( 10.236 4.150 0.000) 11.046 20.783 ( -22.104 -1.062 0.000) 22.129 20.897 ( -21.183 -3.720 0.000) 21.507 21.717 ( 9.301 0.868 0.000) 9.341 21.748 ( 9.256 -0.506 0.000) 9.270 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -11.619 12.908 0.000) 17.367 1.205 ( -5.414 6.624 0.000) 8.555 1.466 ( -4.371 0.607 0.000) 4.413 1.557 ( 1.267 10.185 0.000) 10.263 1.578 ( -6.125 2.753 0.000) 6.715 1.619 ( -2.669 2.053 0.000) 3.368 1.718 ( -0.085 7.329 0.000) 7.329 1.791 ( -11.168 -2.272 0.000) 11.397 1.849 ( 2.135 -5.684 0.000) 6.072 1.867 ( -7.826 9.616 0.000) 12.398 1.895 ( -1.238 -0.982 0.000) 1.580 1.903 ( 0.738 1.963 0.000) 2.097 2.078 ( -2.632 3.256 0.000) 4.187 2.118 ( -4.555 5.377 0.000) 7.047 2.119 ( 5.260 -5.880 0.000) 7.889 2.159 ( 1.942 -2.448 0.000) 3.125 2.276 ( 5.616 5.399 0.000) 7.790 2.287 ( -1.125 -7.230 0.000) 7.317 2.400 ( 2.250 2.690 0.000) 3.507 2.509 ( 1.362 2.733 0.000) 3.053 2.524 ( 8.474 -0.082 0.000) 8.475 2.622 ( -1.204 2.599 0.000) 2.864 2.666 ( -3.882 -6.078 0.000) 7.212 2.793 ( 4.152 -6.044 0.000) 7.333 2.918 ( 3.530 -7.432 0.000) 8.228 2.986 ( -5.701 4.891 0.000) 7.511 3.031 ( -1.978 5.521 0.000) 5.864 3.054 ( -4.096 0.841 0.000) 4.181 3.111 ( -1.596 -4.506 0.000) 4.780 3.134 ( -0.573 1.810 0.000) 1.898 3.362 ( -0.954 -1.574 0.000) 1.841 3.452 ( 2.083 1.338 0.000) 2.475 3.710 ( -24.478 -1.487 0.000) 24.523 3.746 ( -7.140 4.135 0.000) 8.251 3.918 ( -14.325 -2.469 0.000) 14.536 3.965 ( -7.777 -1.833 0.000) 7.990 4.164 ( -7.610 -4.637 0.000) 8.912 4.368 ( -4.361 -4.820 0.000) 6.500 4.882 ( -16.205 -1.493 0.000) 16.273 4.919 ( -10.237 -1.896 0.000) 10.411 4.931 ( -10.935 -1.070 0.000) 10.987 5.099 ( 0.211 -0.831 0.000) 0.858 5.516 ( 3.648 -2.738 0.000) 4.561 5.617 ( 3.464 -1.946 0.000) 3.973 5.665 ( 2.082 -0.628 0.000) 2.175 5.859 ( -4.317 4.306 0.000) 6.098 6.288 ( 8.680 0.280 0.000) 8.685 6.648 ( 9.480 -1.836 0.000) 9.657 6.704 ( 7.926 3.058 0.000) 8.496 6.783 ( 13.976 0.051 0.000) 13.976 7.162 ( -7.010 8.357 0.000) 10.908 7.250 ( -33.136 -9.057 0.000) 34.351 7.512 ( 1.208 -5.075 0.000) 5.216 7.735 ( -8.080 -1.354 0.000) 8.193 7.937 ( -15.505 -6.349 0.000) 16.754 8.330 ( 4.273 -7.607 0.000) 8.725 9.547 ( -5.539 0.025 0.000) 5.539 9.692 ( -10.984 -1.617 0.000) 11.103 10.263 ( 6.880 6.580 0.000) 9.520 10.506 ( 8.409 2.311 0.000) 8.721 18.756 ( -1.093 -0.691 0.000) 1.293 18.807 ( -0.751 -3.280 0.000) 3.365 18.964 ( 4.153 0.824 0.000) 4.234 18.998 ( 3.216 -2.235 0.000) 3.916 19.478 ( 0.041 0.452 0.000) 0.454 19.532 ( 0.796 2.376 0.000) 2.506 19.727 ( 4.489 2.435 0.000) 5.107 20.070 ( 3.263 7.730 0.000) 8.390 20.379 ( -22.287 -1.141 0.000) 22.316 20.591 ( -14.380 -8.009 0.000) 16.460 21.839 ( 5.562 0.648 0.000) 5.600 21.932 ( 8.890 -1.826 0.000) 9.075 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -9.138 14.631 0.000) 17.250 0.896 ( -17.435 11.771 0.000) 21.036 1.286 ( -15.861 7.424 0.000) 17.513 1.389 ( -5.892 6.720 0.000) 8.937 1.472 ( -0.463 10.360 0.000) 10.371 1.530 ( -0.733 8.837 0.000) 8.867 1.576 ( -3.139 14.251 0.000) 14.593 1.687 ( 2.479 6.277 0.000) 6.749 1.715 ( -3.517 -5.050 0.000) 6.154 1.835 ( -4.272 2.141 0.000) 4.778 1.919 ( 0.485 -3.284 0.000) 3.320 1.933 ( -0.794 -6.101 0.000) 6.152 1.946 ( -0.943 12.350 0.000) 12.386 2.144 ( 2.033 -3.845 0.000) 4.350 2.210 ( 1.540 -3.220 0.000) 3.569 2.265 ( 3.720 -4.863 0.000) 6.122 2.277 ( 1.228 6.839 0.000) 6.949 2.331 ( -1.251 -7.365 0.000) 7.471 2.448 ( 4.572 1.731 0.000) 4.889 2.500 ( 0.573 1.017 0.000) 1.167 2.568 ( -1.295 3.775 0.000) 3.991 2.608 ( -2.354 -3.343 0.000) 4.089 2.675 ( 3.033 1.045 0.000) 3.208 2.836 ( -4.290 3.482 0.000) 5.525 2.938 ( 4.155 -7.155 0.000) 8.273 2.962 ( -1.301 0.688 0.000) 1.472 2.963 ( -4.025 1.369 0.000) 4.252 3.063 ( 4.367 -3.150 0.000) 5.384 3.098 ( -3.711 -4.164 0.000) 5.578 3.106 ( 0.736 1.466 0.000) 1.640 3.323 ( -15.681 -1.581 0.000) 15.760 3.376 ( 0.434 -2.592 0.000) 2.628 3.469 ( 0.509 0.143 0.000) 0.529 3.623 ( -2.731 3.831 0.000) 4.705 3.640 ( -12.763 1.093 0.000) 12.810 3.872 ( -3.656 -1.230 0.000) 3.858 4.186 ( 0.598 -8.930 0.000) 8.950 4.378 ( -0.238 -4.322 0.000) 4.328 4.617 ( -13.421 -1.564 0.000) 13.512 4.759 ( -7.834 -1.139 0.000) 7.917 4.773 ( -7.020 -2.202 0.000) 7.357 5.111 ( 0.415 -0.159 0.000) 0.445 5.619 ( 3.302 -4.927 0.000) 5.931 5.712 ( 2.315 1.747 0.000) 2.901 5.715 ( 3.851 -3.976 0.000) 5.535 5.771 ( 0.289 3.163 0.000) 3.176 6.444 ( 6.508 0.015 0.000) 6.508 6.662 ( -38.354 -10.077 0.000) 39.656 6.740 ( 1.025 1.209 0.000) 1.585 6.769 ( 2.261 2.865 0.000) 3.650 6.922 ( 1.344 3.504 0.000) 3.753 7.052 ( 2.074 2.699 0.000) 3.404 7.582 ( 0.622 -6.100 0.000) 6.131 7.641 ( -3.418 -1.588 0.000) 3.768 7.750 ( -11.362 -9.689 0.000) 14.933 8.538 ( 9.323 -8.391 0.000) 12.543 9.461 ( -3.641 -0.106 0.000) 3.642 9.500 ( -10.458 -1.154 0.000) 10.521 10.290 ( 3.351 8.449 0.000) 9.089 10.646 ( 8.136 1.118 0.000) 8.213 18.730 ( -0.858 0.831 0.000) 1.195 18.858 ( 0.289 -7.286 0.000) 7.292 19.039 ( 4.420 0.554 0.000) 4.454 19.069 ( 1.710 -2.214 0.000) 2.797 19.470 ( -0.071 1.367 0.000) 1.369 19.499 ( -2.021 2.090 0.000) 2.907 19.765 ( 2.648 4.144 0.000) 4.918 19.912 ( -10.448 5.734 0.000) 11.918 20.027 ( -14.707 0.813 0.000) 14.730 20.575 ( 2.450 -6.634 0.000) 7.072 21.915 ( 3.082 0.174 0.000) 3.087 22.094 ( 5.783 -3.459 0.000) 6.739 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 15.584 0.000) 15.584 0.543 ( 0.000 14.766 0.000) 14.766 1.018 ( 0.000 7.590 0.000) 7.590 1.173 ( 0.000 26.209 0.000) 26.209 1.382 ( 0.000 7.986 0.000) 7.986 1.433 ( 0.000 11.217 0.000) 11.217 1.475 ( 0.000 6.210 0.000) 6.210 1.654 ( 0.000 9.305 0.000) 9.305 1.745 ( -0.000 -7.114 0.000) 7.114 1.746 ( 0.000 4.403 0.000) 4.403 1.834 ( 0.000 10.171 0.000) 10.171 1.939 ( -0.000 -2.296 0.000) 2.296 1.976 ( -0.000 -6.364 0.000) 6.364 2.200 ( 0.000 0.127 0.000) 0.127 2.237 ( 0.000 1.281 0.000) 1.281 2.240 ( -0.000 -0.997 0.000) 0.997 2.343 ( -0.000 -4.195 0.000) 4.195 2.390 ( -0.000 -8.897 0.000) 8.897 2.510 ( 0.000 4.708 0.000) 4.708 2.521 ( -0.000 -1.706 0.000) 1.706 2.538 ( -0.000 -3.306 0.000) 3.306 2.540 ( 0.000 2.230 0.000) 2.230 2.693 ( 0.000 2.387 0.000) 2.387 2.784 ( 0.000 0.035 0.000) 0.035 2.905 ( 0.000 2.365 0.000) 2.365 2.939 ( 0.000 1.185 0.000) 1.185 3.044 ( -0.000 -0.487 0.000) 0.487 3.052 ( 0.000 4.928 0.000) 4.928 3.092 ( -0.000 -9.940 0.000) 9.940 3.194 ( -0.000 -1.801 0.000) 1.801 3.213 ( -0.000 -7.978 0.000) 7.978 3.418 ( -0.000 -2.387 0.000) 2.387 3.478 ( -0.000 -1.568 0.000) 1.568 3.499 ( 0.000 1.465 0.000) 1.465 3.563 ( 0.000 4.405 0.000) 4.405 3.845 ( 0.000 0.450 0.000) 0.450 4.305 ( -0.000 -10.500 0.000) 10.500 4.420 ( -0.000 -3.670 0.000) 3.670 4.466 ( -0.000 -0.558 0.000) 0.558 4.692 ( -0.000 -1.017 0.000) 1.017 4.725 ( -0.000 -2.384 0.000) 2.384 5.114 ( 0.000 0.226 0.000) 0.226 5.688 ( 0.000 3.791 0.000) 3.791 5.704 ( -0.000 -6.231 0.000) 6.231 5.798 ( -0.000 -4.914 0.000) 4.914 5.839 ( 0.000 0.402 0.000) 0.402 6.156 ( 0.000 1.265 0.000) 1.265 6.527 ( 0.000 0.859 0.000) 0.859 6.702 ( 0.000 6.792 0.000) 6.792 6.770 ( -0.000 -0.596 0.000) 0.596 6.887 ( 0.000 4.707 0.000) 4.707 7.074 ( -0.000 -0.132 0.000) 0.132 7.628 ( -0.000 -1.749 0.000) 1.749 7.643 ( -0.000 -5.802 0.000) 5.802 7.737 ( -0.000 -12.471 0.000) 12.471 8.731 ( -0.000 -8.883 0.000) 8.883 9.382 ( -0.000 -0.213 0.000) 0.213 9.431 ( -0.000 -0.141 0.000) 0.141 10.242 ( 0.000 8.990 0.000) 8.990 10.741 ( -0.000 -0.899 0.000) 0.899 18.715 ( 0.000 0.801 0.000) 0.801 18.935 ( -0.000 -9.098 0.000) 9.098 19.086 ( -0.000 -0.053 0.000) 0.053 19.088 ( -0.000 -0.013 0.000) 0.013 19.455 ( 0.000 1.564 0.000) 1.564 19.455 ( 0.000 1.082 0.000) 1.082 19.741 ( 0.000 4.856 0.000) 4.856 19.745 ( 0.000 5.807 0.000) 5.807 19.868 ( 0.000 2.664 0.000) 2.664 20.674 ( -0.000 -5.892 0.000) 5.892 21.944 ( -0.000 -0.051 0.000) 0.051 22.187 ( -0.000 -4.235 0.000) 4.235 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 2.638 0.000 0.000) 2.638 1.466 ( -10.755 -0.000 0.000) 10.755 1.571 ( 2.691 0.000 0.000) 2.691 1.577 ( -5.296 -0.000 0.000) 5.296 1.642 ( 2.675 0.000 0.000) 2.675 1.665 ( -3.454 -0.000 0.000) 3.454 1.795 ( -0.668 -0.000 0.000) 0.668 1.818 ( 5.287 0.000 0.000) 5.287 1.886 ( -0.047 -0.000 0.000) 0.047 1.896 ( 5.356 0.000 0.000) 5.356 1.914 ( 2.684 0.000 0.000) 2.684 1.985 ( -6.365 -0.000 0.000) 6.365 2.073 ( 0.308 0.000 0.000) 0.308 2.161 ( -6.218 -0.000 0.000) 6.218 2.181 ( -2.403 -0.000 0.000) 2.403 2.187 ( -2.199 -0.000 0.000) 2.199 2.246 ( -1.196 -0.000 0.000) 1.196 2.251 ( 6.446 0.000 0.000) 6.446 2.412 ( -1.272 -0.000 0.000) 1.272 2.464 ( 6.736 0.000 0.000) 6.736 2.507 ( 3.101 0.000 0.000) 3.101 2.574 ( -2.701 -0.000 0.000) 2.701 2.588 ( 4.556 0.000 0.000) 4.556 2.709 ( 1.564 0.000 0.000) 1.564 2.753 ( -4.022 -0.000 0.000) 4.022 3.030 ( 0.509 0.000 0.000) 0.509 3.048 ( 0.870 0.000 0.000) 0.870 3.125 ( 1.931 0.000 0.000) 1.931 3.200 ( -4.228 -0.000 0.000) 4.228 3.202 ( -3.177 -0.000 0.000) 3.177 3.395 ( -1.957 -0.000 0.000) 1.957 3.451 ( 1.046 0.000 0.000) 1.046 3.951 ( -4.092 -0.000 0.000) 4.092 3.984 ( -6.609 -0.000 0.000) 6.609 3.989 ( -9.259 -0.000 0.000) 9.259 4.084 ( -9.244 -0.000 0.000) 9.244 4.449 ( -20.089 -0.000 0.000) 20.089 4.554 ( -24.057 -0.000 0.000) 24.057 5.081 ( -11.109 -0.000 0.000) 11.109 5.082 ( -0.130 -0.000 0.000) 0.130 5.094 ( -6.735 -0.000 0.000) 6.735 5.183 ( -18.761 -0.000 0.000) 18.761 5.442 ( 1.628 0.000 0.000) 1.628 5.555 ( 0.641 0.000 0.000) 0.641 5.614 ( 1.931 0.000 0.000) 1.931 5.951 ( 2.542 0.000 0.000) 2.542 6.218 ( -1.484 -0.000 0.000) 1.484 6.339 ( 18.661 0.000 0.000) 18.661 6.454 ( 20.948 0.000 0.000) 20.948 6.581 ( 11.154 0.000 0.000) 11.154 7.371 ( 3.700 0.000 0.000) 3.700 7.449 ( -8.784 -0.000 0.000) 8.784 7.718 ( -24.473 -0.000 0.000) 24.473 7.920 ( -10.688 -0.000 0.000) 10.688 8.134 ( -13.811 -0.000 0.000) 13.811 8.181 ( -2.746 -0.000 0.000) 2.746 9.654 ( -5.716 -0.000 0.000) 5.716 9.846 ( -8.410 -0.000 0.000) 8.410 10.193 ( 9.937 0.000 0.000) 9.937 10.396 ( 7.588 0.000 0.000) 7.588 18.718 ( -0.424 -0.000 0.000) 0.424 18.860 ( -4.196 -0.000 0.000) 4.196 18.885 ( 3.822 0.000 0.000) 3.822 18.946 ( 1.274 0.000 0.000) 1.274 19.469 ( 0.707 0.000 0.000) 0.707 19.526 ( 2.941 0.000 0.000) 2.941 19.661 ( 5.248 0.000 0.000) 5.248 20.011 ( 11.005 0.000 0.000) 11.005 20.773 ( -22.110 -0.000 0.000) 22.110 20.862 ( -22.392 -0.000 0.000) 22.392 21.728 ( 10.819 0.000 0.000) 10.819 21.740 ( 7.167 0.000 0.000) 7.167 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -10.989 7.932 0.000) 13.553 1.270 ( 0.625 1.374 0.000) 1.510 1.495 ( -4.193 1.722 0.000) 4.533 1.588 ( -1.625 -3.630 0.000) 3.977 1.604 ( -3.259 0.064 0.000) 3.260 1.708 ( 4.483 5.056 0.000) 6.757 1.775 ( -14.590 0.229 0.000) 14.592 1.794 ( 2.313 -0.155 0.000) 2.318 1.868 ( -1.054 3.259 0.000) 3.426 1.883 ( 1.917 4.966 0.000) 5.323 1.900 ( -12.067 1.614 0.000) 12.175 2.011 ( 5.188 -5.526 0.000) 7.579 2.017 ( 1.294 -0.543 0.000) 1.403 2.043 ( -3.107 1.406 0.000) 3.411 2.107 ( -0.437 -4.530 0.000) 4.551 2.174 ( -0.659 -3.515 0.000) 3.576 2.279 ( -0.333 8.078 0.000) 8.085 2.362 ( 3.418 1.592 0.000) 3.770 2.434 ( 5.790 0.868 0.000) 5.854 2.520 ( 0.765 -2.152 0.000) 2.284 2.544 ( 1.988 1.228 0.000) 2.337 2.595 ( 4.486 0.698 0.000) 4.540 2.655 ( 1.562 0.567 0.000) 1.662 2.713 ( 0.055 -2.101 0.000) 2.101 2.791 ( 2.811 -5.445 0.000) 6.128 3.027 ( -2.433 0.048 0.000) 2.434 3.039 ( -1.988 -1.502 0.000) 2.491 3.098 ( -5.119 1.646 0.000) 5.378 3.121 ( -2.302 3.726 0.000) 4.379 3.151 ( -0.571 -0.131 0.000) 0.586 3.340 ( -2.998 -0.793 0.000) 3.101 3.479 ( 2.210 1.194 0.000) 2.512 3.689 ( -23.439 -0.712 0.000) 23.450 3.809 ( -8.054 2.664 0.000) 8.483 3.862 ( -9.391 -2.593 0.000) 9.743 3.921 ( -8.834 -2.389 0.000) 9.152 4.120 ( -13.404 -0.694 0.000) 13.422 4.294 ( -4.906 -2.738 0.000) 5.618 4.856 ( -17.025 -0.911 0.000) 17.049 4.896 ( -9.806 -0.667 0.000) 9.829 4.918 ( -11.025 -0.367 0.000) 11.031 5.088 ( 0.690 -0.350 0.000) 0.773 5.481 ( 2.415 -1.051 0.000) 2.634 5.592 ( 2.629 -0.734 0.000) 2.729 5.655 ( 2.581 -0.370 0.000) 2.607 5.911 ( -4.333 1.457 0.000) 4.572 6.294 ( 8.293 0.282 0.000) 8.298 6.620 ( 10.491 -0.883 0.000) 10.528 6.750 ( 7.901 1.590 0.000) 8.060 6.784 ( 14.130 -0.018 0.000) 14.130 7.156 ( -33.416 -2.292 0.000) 33.494 7.266 ( -8.994 2.914 0.000) 9.455 7.454 ( 1.607 -1.517 0.000) 2.210 7.739 ( -7.749 1.090 0.000) 7.826 7.856 ( -16.809 -2.503 0.000) 16.995 8.212 ( 4.245 -4.440 0.000) 6.143 9.548 ( -5.512 0.071 0.000) 5.512 9.671 ( -10.733 -0.694 0.000) 10.756 10.350 ( 8.055 2.793 0.000) 8.526 10.525 ( 6.698 0.224 0.000) 6.701 18.720 ( -0.096 -1.550 0.000) 1.553 18.796 ( -2.577 0.272 0.000) 2.591 18.962 ( 4.207 -0.470 0.000) 4.233 18.987 ( 3.226 0.221 0.000) 3.233 19.485 ( 0.892 0.222 0.000) 0.919 19.563 ( 0.929 0.934 0.000) 1.317 19.753 ( 4.778 0.650 0.000) 4.822 20.189 ( 7.942 4.910 0.000) 9.337 20.366 ( -21.649 -0.281 0.000) 21.651 20.465 ( -19.520 -5.252 0.000) 20.215 21.850 ( 5.103 0.460 0.000) 5.124 21.907 ( 8.137 -0.906 0.000) 8.187 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -7.730 12.446 0.000) 14.651 1.095 ( -14.588 10.442 0.000) 17.940 1.385 ( -10.947 1.579 0.000) 11.060 1.453 ( -8.248 3.714 0.000) 9.046 1.579 ( -1.237 -3.898 0.000) 4.090 1.586 ( -1.319 -0.825 0.000) 1.556 1.695 ( 2.616 9.856 0.000) 10.198 1.779 ( -1.094 5.869 0.000) 5.971 1.783 ( -2.747 -4.810 0.000) 5.539 1.866 ( 2.618 1.511 0.000) 3.023 1.887 ( 0.767 0.085 0.000) 0.772 1.907 ( -4.030 8.657 0.000) 9.549 2.089 ( 2.295 -1.475 0.000) 2.729 2.135 ( 1.750 -5.085 0.000) 5.378 2.171 ( -0.636 11.150 0.000) 11.168 2.176 ( 3.101 -4.772 0.000) 5.691 2.219 ( 0.939 -5.058 0.000) 5.144 2.391 ( 1.660 3.957 0.000) 4.291 2.482 ( 1.229 3.073 0.000) 3.310 2.515 ( -3.187 0.646 0.000) 3.252 2.567 ( 2.222 -0.714 0.000) 2.334 2.625 ( -0.845 2.983 0.000) 3.100 2.693 ( 5.348 1.019 0.000) 5.444 2.793 ( 2.212 -7.595 0.000) 7.911 2.892 ( 1.245 -7.599 0.000) 7.700 2.916 ( -5.913 3.859 0.000) 7.061 2.985 ( -2.606 0.898 0.000) 2.756 3.050 ( -1.877 -1.560 0.000) 2.441 3.051 ( -0.307 3.120 0.000) 3.135 3.147 ( 0.225 0.896 0.000) 0.924 3.299 ( -16.010 -1.063 0.000) 16.045 3.325 ( -0.452 -2.716 0.000) 2.753 3.494 ( 0.866 2.268 0.000) 2.428 3.653 ( -11.747 0.274 0.000) 11.750 3.678 ( -3.500 2.464 0.000) 4.280 3.824 ( -4.405 -3.703 0.000) 5.755 4.032 ( -2.032 -7.251 0.000) 7.530 4.300 ( 0.325 -3.982 0.000) 3.995 4.588 ( -12.795 -1.438 0.000) 12.876 4.741 ( -7.377 -1.340 0.000) 7.498 4.741 ( -7.707 -0.723 0.000) 7.741 5.108 ( 0.967 -0.133 0.000) 0.976 5.547 ( 2.396 -3.011 0.000) 3.848 5.656 ( 2.606 -2.386 0.000) 3.533 5.728 ( 5.473 0.332 0.000) 5.483 5.825 ( -2.341 2.427 0.000) 3.372 6.450 ( 5.809 0.681 0.000) 5.848 6.555 ( -30.225 -3.473 0.000) 30.424 6.737 ( 2.441 -0.478 0.000) 2.487 6.831 ( 3.013 3.156 0.000) 4.363 6.957 ( 4.671 0.717 0.000) 4.726 7.108 ( -4.228 2.599 0.000) 4.963 7.496 ( -0.182 -2.887 0.000) 2.893 7.610 ( -11.945 -6.033 0.000) 13.382 7.636 ( -2.456 0.952 0.000) 2.634 8.393 ( 8.369 -7.087 0.000) 10.967 9.460 ( -3.854 0.053 0.000) 3.854 9.483 ( -9.437 -0.797 0.000) 9.471 10.423 ( 4.065 6.189 0.000) 7.404 10.641 ( 5.225 -1.322 0.000) 5.389 18.733 ( -0.405 -1.229 0.000) 1.294 18.768 ( -0.724 -2.003 0.000) 2.130 19.042 ( 3.806 -0.401 0.000) 3.827 19.050 ( 3.336 0.024 0.000) 3.336 19.492 ( 0.468 1.056 0.000) 1.154 19.527 ( -3.670 1.028 0.000) 3.811 19.815 ( 2.862 1.639 0.000) 3.298 20.005 ( -14.144 3.230 0.000) 14.509 20.058 ( -10.162 3.621 0.000) 10.788 20.453 ( 4.178 -6.657 0.000) 7.859 21.919 ( 2.763 0.244 0.000) 2.774 22.041 ( 4.834 -2.277 0.000) 5.343 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 15.292 0.000) 15.292 0.795 ( 0.000 13.471 0.000) 13.471 1.153 ( 0.000 6.733 0.000) 6.733 1.413 ( 0.000 3.747 0.000) 3.747 1.538 ( 0.000 7.406 0.000) 7.406 1.616 ( -0.000 -6.477 0.000) 6.477 1.635 ( 0.000 10.830 0.000) 10.830 1.720 ( 0.000 17.641 0.000) 17.641 1.756 ( -0.000 -1.371 0.000) 1.371 1.817 ( 0.000 8.406 0.000) 8.406 1.847 ( -0.000 -8.071 0.000) 8.071 1.916 ( -0.000 -0.771 0.000) 0.771 2.053 ( 0.000 12.844 0.000) 12.844 2.135 ( -0.000 -2.636 0.000) 2.636 2.191 ( -0.000 -4.759 0.000) 4.759 2.258 ( -0.000 -5.253 0.000) 5.253 2.267 ( -0.000 -4.172 0.000) 4.172 2.353 ( 0.000 7.274 0.000) 7.274 2.484 ( -0.000 -1.961 0.000) 1.961 2.486 ( -0.000 -2.117 0.000) 2.117 2.576 ( 0.000 1.710 0.000) 1.710 2.587 ( 0.000 3.633 0.000) 3.633 2.732 ( 0.000 1.920 0.000) 1.920 2.818 ( 0.000 3.503 0.000) 3.503 2.904 ( -0.000 -10.422 0.000) 10.422 2.944 ( -0.000 -1.930 0.000) 1.930 2.946 ( 0.000 2.088 0.000) 2.088 3.034 ( -0.000 -0.602 0.000) 0.602 3.070 ( -0.000 -4.518 0.000) 4.518 3.140 ( 0.000 2.565 0.000) 2.565 3.164 ( -0.000 -1.490 0.000) 1.490 3.359 ( -0.000 -3.876 0.000) 3.876 3.480 ( 0.000 1.717 0.000) 1.717 3.523 ( 0.000 1.139 0.000) 1.139 3.627 ( 0.000 2.652 0.000) 2.652 3.819 ( -0.000 -3.209 0.000) 3.209 4.107 ( -0.000 -10.869 0.000) 10.869 4.346 ( -0.000 -4.414 0.000) 4.414 4.457 ( -0.000 -0.416 0.000) 0.416 4.674 ( -0.000 -0.906 0.000) 0.906 4.683 ( -0.000 -2.184 0.000) 2.184 5.117 ( 0.000 0.159 0.000) 0.159 5.606 ( -0.000 -4.580 0.000) 4.580 5.714 ( -0.000 -4.104 0.000) 4.104 5.758 ( 0.000 3.849 0.000) 3.849 5.846 ( 0.000 0.346 0.000) 0.346 6.167 ( -0.000 -0.189 0.000) 0.189 6.541 ( 0.000 0.744 0.000) 0.744 6.760 ( -0.000 -0.541 0.000) 0.541 6.809 ( 0.000 5.263 0.000) 5.263 6.967 ( 0.000 3.547 0.000) 3.547 7.072 ( -0.000 -0.079 0.000) 0.079 7.505 ( -0.000 -7.915 0.000) 7.915 7.579 ( -0.000 -5.867 0.000) 5.867 7.613 ( 0.000 0.266 0.000) 0.266 8.564 ( -0.000 -9.190 0.000) 9.190 9.378 ( -0.000 -0.195 0.000) 0.195 9.429 ( -0.000 -0.124 0.000) 0.124 10.395 ( 0.000 7.963 0.000) 7.963 10.714 ( -0.000 -2.154 0.000) 2.154 18.728 ( 0.000 0.475 0.000) 0.475 18.802 ( -0.000 -5.629 0.000) 5.629 19.085 ( -0.000 -0.043 0.000) 0.043 19.088 ( -0.000 -0.016 0.000) 0.016 19.468 ( 0.000 0.355 0.000) 0.355 19.484 ( 0.000 1.595 0.000) 1.595 19.822 ( 0.000 2.892 0.000) 2.892 19.831 ( 0.000 4.412 0.000) 4.412 19.926 ( 0.000 4.106 0.000) 4.106 20.560 ( -0.000 -6.619 0.000) 6.619 21.944 ( 0.000 0.048 0.000) 0.048 22.115 ( -0.000 -3.572 0.000) 3.572 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -7.573 -0.000 0.000) 7.573 1.222 ( -10.668 -0.000 0.000) 10.668 1.358 ( -13.686 -0.000 0.000) 13.686 1.469 ( -5.666 -0.000 0.000) 5.666 1.546 ( -0.887 -0.000 0.000) 0.887 1.614 ( -2.874 -0.000 0.000) 2.874 1.679 ( -4.747 -0.000 0.000) 4.747 1.810 ( 0.719 0.000 0.000) 0.719 1.833 ( 4.458 0.000 0.000) 4.458 1.863 ( -0.891 -0.000 0.000) 0.891 1.946 ( -0.228 -0.000 0.000) 0.228 1.996 ( -3.095 -0.000 0.000) 3.095 2.053 ( 4.131 0.000 0.000) 4.131 2.077 ( 2.830 0.000 0.000) 2.830 2.115 ( 3.592 0.000 0.000) 3.592 2.176 ( 1.788 0.000 0.000) 1.788 2.298 ( -2.326 -0.000 0.000) 2.326 2.385 ( 0.759 0.000 0.000) 0.759 2.522 ( -4.890 -0.000 0.000) 4.890 2.555 ( 5.648 0.000 0.000) 5.648 2.563 ( 4.342 0.000 0.000) 4.342 2.679 ( -0.750 -0.000 0.000) 0.750 2.693 ( 1.223 0.000 0.000) 1.223 2.720 ( 4.622 0.000 0.000) 4.622 2.784 ( -0.076 -0.000 0.000) 0.076 2.951 ( -5.664 -0.000 0.000) 5.664 2.994 ( -1.724 -0.000 0.000) 1.724 3.037 ( -1.676 -0.000 0.000) 1.676 3.100 ( -2.084 -0.000 0.000) 2.084 3.139 ( 0.382 0.000 0.000) 0.382 3.289 ( -16.147 -0.000 0.000) 16.147 3.298 ( -0.661 -0.000 0.000) 0.661 3.522 ( 1.536 0.000 0.000) 1.536 3.653 ( -10.730 -0.000 0.000) 10.730 3.709 ( -4.092 -0.000 0.000) 4.092 3.774 ( -5.135 -0.000 0.000) 5.135 3.963 ( -3.738 -0.000 0.000) 3.738 4.260 ( 0.693 0.000 0.000) 0.693 4.574 ( -12.228 -0.000 0.000) 12.228 4.729 ( -7.582 -0.000 0.000) 7.582 4.735 ( -7.679 -0.000 0.000) 7.679 5.107 ( 1.191 0.000 0.000) 1.191 5.519 ( 2.060 0.000 0.000) 2.060 5.635 ( 2.144 0.000 0.000) 2.144 5.730 ( 6.353 0.000 0.000) 6.353 5.847 ( -2.790 -0.000 0.000) 2.790 6.460 ( 8.484 0.000 0.000) 8.484 6.522 ( -31.393 -0.000 0.000) 31.393 6.732 ( 2.754 0.000 0.000) 2.754 6.862 ( 3.721 0.000 0.000) 3.721 6.961 ( 5.180 0.000 0.000) 5.180 7.130 ( -6.170 -0.000 0.000) 6.170 7.478 ( 1.225 0.000 0.000) 1.225 7.549 ( -13.813 -0.000 0.000) 13.813 7.652 ( -2.328 -0.000 0.000) 2.328 8.323 ( 8.273 0.000 0.000) 8.273 9.462 ( -3.602 -0.000 0.000) 3.602 9.475 ( -9.374 -0.000 0.000) 9.374 10.487 ( 4.885 0.000 0.000) 4.885 10.621 ( 3.763 0.000 0.000) 3.763 18.712 ( -0.027 -0.000 0.000) 0.027 18.761 ( -1.304 -0.000 0.000) 1.304 19.037 ( 4.040 0.000 0.000) 4.040 19.052 ( 3.278 0.000 0.000) 3.278 19.502 ( 0.697 0.000 0.000) 0.697 19.536 ( -4.375 -0.000 0.000) 4.375 19.829 ( 2.918 0.000 0.000) 2.918 20.025 ( -14.357 -0.000 0.000) 14.357 20.114 ( -11.482 -0.000 0.000) 11.482 20.378 ( 6.778 0.000 0.000) 6.778 21.922 ( 2.596 0.000 0.000) 2.596 22.020 ( 4.521 0.000 0.000) 4.521 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 7.909 0.000) 7.909 1.007 ( 0.000 9.500 0.000) 9.500 1.202 ( -0.000 -2.076 0.000) 2.076 1.444 ( 0.000 0.625 0.000) 0.625 1.554 ( -0.000 -3.023 0.000) 3.023 1.568 ( 0.000 2.015 0.000) 2.015 1.702 ( -0.000 -7.478 0.000) 7.478 1.791 ( 0.000 5.642 0.000) 5.642 1.816 ( 0.000 5.807 0.000) 5.807 1.890 ( -0.000 -1.515 0.000) 1.515 1.929 ( 0.000 3.507 0.000) 3.507 1.936 ( 0.000 5.934 0.000) 5.934 2.106 ( -0.000 -0.468 0.000) 0.468 2.112 ( -0.000 -3.357 0.000) 3.357 2.172 ( -0.000 -3.479 0.000) 3.479 2.217 ( -0.000 -1.680 0.000) 1.680 2.243 ( 0.000 6.539 0.000) 6.539 2.402 ( -0.000 -1.358 0.000) 1.358 2.454 ( -0.000 -1.188 0.000) 1.188 2.561 ( 0.000 9.173 0.000) 9.173 2.597 ( 0.000 0.627 0.000) 0.627 2.647 ( 0.000 3.555 0.000) 3.555 2.744 ( -0.000 -6.798 0.000) 6.798 2.756 ( 0.000 0.737 0.000) 0.737 2.832 ( -0.000 -8.282 0.000) 8.282 2.878 ( 0.000 2.116 0.000) 2.116 2.974 ( 0.000 0.951 0.000) 0.951 3.025 ( -0.000 -0.397 0.000) 0.397 3.068 ( 0.000 2.155 0.000) 2.155 3.145 ( -0.000 -0.583 0.000) 0.583 3.157 ( -0.000 -0.749 0.000) 0.749 3.304 ( -0.000 -1.697 0.000) 1.697 3.525 ( 0.000 2.380 0.000) 2.380 3.537 ( 0.000 0.424 0.000) 0.424 3.662 ( 0.000 1.602 0.000) 1.602 3.747 ( -0.000 -3.857 0.000) 3.857 3.957 ( -0.000 -4.948 0.000) 4.948 4.282 ( -0.000 -2.211 0.000) 2.211 4.452 ( -0.000 -0.137 0.000) 0.137 4.654 ( -0.000 -0.894 0.000) 0.894 4.662 ( -0.000 -0.361 0.000) 0.361 5.119 ( 0.000 0.053 0.000) 0.053 5.548 ( -0.000 -1.766 0.000) 1.766 5.663 ( -0.000 -1.505 0.000) 1.505 5.813 ( 0.000 1.890 0.000) 1.890 5.850 ( 0.000 0.135 0.000) 0.135 6.154 ( -0.000 -0.783 0.000) 0.783 6.551 ( 0.000 0.291 0.000) 0.291 6.753 ( -0.000 -0.218 0.000) 0.218 6.884 ( 0.000 2.669 0.000) 2.669 6.999 ( 0.000 0.368 0.000) 0.368 7.072 ( -0.000 -0.022 0.000) 0.022 7.415 ( -0.000 -2.200 0.000) 2.200 7.501 ( -0.000 -2.635 0.000) 2.635 7.631 ( 0.000 1.120 0.000) 1.120 8.436 ( -0.000 -4.322 0.000) 4.322 9.376 ( -0.000 -0.079 0.000) 0.079 9.427 ( -0.000 -0.049 0.000) 0.049 10.511 ( 0.000 4.475 0.000) 4.475 10.669 ( -0.000 -2.416 0.000) 2.416 18.719 ( -0.000 -1.324 0.000) 1.324 18.750 ( -0.000 -0.391 0.000) 0.391 19.084 ( -0.000 -0.016 0.000) 0.016 19.087 ( -0.000 -0.007 0.000) 0.007 19.471 ( 0.000 0.050 0.000) 0.050 19.506 ( 0.000 0.717 0.000) 0.717 19.853 ( 0.000 0.765 0.000) 0.765 19.879 ( 0.000 1.182 0.000) 1.182 20.003 ( 0.000 3.278 0.000) 3.278 20.460 ( -0.000 -3.648 0.000) 3.648 21.946 ( 0.000 0.078 0.000) 0.078 22.069 ( -0.000 -1.414 0.000) 1.414 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 0.000 0.000 15.624) 15.624 0.316 ( 0.000 0.000 17.466) 17.466 0.664 ( 0.000 0.000 34.568) 34.568 0.773 ( 0.000 0.000 -8.410) 8.410 1.006 ( 0.000 0.000 -18.306) 18.306 1.253 ( 0.000 0.000 5.349) 5.349 1.427 ( 0.000 0.000 -2.686) 2.686 1.538 ( 0.000 0.000 7.245) 7.245 1.541 ( 0.000 0.000 -2.710) 2.710 1.831 ( 0.000 0.000 8.691) 8.691 1.857 ( 0.000 0.000 -14.335) 14.335 1.912 ( 0.000 0.000 2.149) 2.149 2.034 ( 0.000 0.000 -0.557) 0.557 2.053 ( 0.000 0.000 -4.188) 4.188 2.251 ( 0.000 0.000 -2.055) 2.055 2.270 ( 0.000 0.000 -1.436) 1.436 2.342 ( 0.000 0.000 -5.252) 5.252 2.440 ( 0.000 0.000 1.921) 1.921 2.461 ( 0.000 0.000 -9.169) 9.169 2.533 ( 0.000 0.000 3.840) 3.840 2.534 ( 0.000 0.000 -1.990) 1.990 2.619 ( 0.000 0.000 -1.316) 1.316 2.631 ( 0.000 0.000 -0.816) 0.816 2.670 ( 0.000 0.000 -6.199) 6.199 2.875 ( 0.000 0.000 2.435) 2.435 2.952 ( 0.000 0.000 6.214) 6.214 2.993 ( 0.000 0.000 5.036) 5.036 3.017 ( 0.000 0.000 -3.544) 3.544 3.149 ( 0.000 0.000 10.508) 10.508 3.265 ( 0.000 0.000 3.029) 3.029 3.355 ( 0.000 0.000 8.414) 8.414 3.369 ( 0.000 0.000 -3.688) 3.688 3.430 ( 0.000 0.000 -3.588) 3.588 3.544 ( 0.000 0.000 4.136) 4.136 3.708 ( 0.000 0.000 -3.143) 3.143 3.754 ( 0.000 0.000 -6.788) 6.788 4.341 ( 0.000 0.000 1.907) 1.907 4.442 ( 0.000 0.000 -2.308) 2.308 4.502 ( 0.000 0.000 3.149) 3.149 4.725 ( 0.000 0.000 -5.182) 5.182 4.776 ( 0.000 0.000 5.722) 5.722 5.031 ( 0.000 0.000 -6.768) 6.768 5.623 ( 0.000 0.000 1.376) 1.376 5.693 ( 0.000 0.000 -1.657) 1.657 5.877 ( 0.000 0.000 0.956) 0.956 5.912 ( 0.000 0.000 -0.388) 0.388 5.942 ( 0.000 0.000 10.355) 10.355 6.386 ( 0.000 0.000 -10.503) 10.503 6.858 ( 0.000 0.000 6.295) 6.295 6.865 ( 0.000 0.000 6.406) 6.406 7.052 ( 0.000 0.000 -2.723) 2.723 7.271 ( 0.000 0.000 -13.261) 13.261 7.866 ( 0.000 0.000 8.190) 8.190 8.027 ( 0.000 0.000 -0.980) 0.980 8.834 ( 0.000 0.000 0.799) 0.799 8.893 ( 0.000 0.000 -1.548) 1.548 9.394 ( 0.000 0.000 0.705) 0.705 9.427 ( 0.000 0.000 -0.707) 0.707 10.044 ( 0.000 0.000 1.577) 1.577 10.115 ( 0.000 0.000 -1.384) 1.384 19.087 ( 0.000 0.000 0.015) 0.015 19.088 ( 0.000 0.000 -0.014) 0.014 19.206 ( 0.000 0.000 0.407) 0.407 19.227 ( 0.000 0.000 -0.474) 0.474 19.429 ( 0.000 0.000 1.123) 1.123 19.493 ( 0.000 0.000 -1.960) 1.960 19.569 ( 0.000 0.000 2.140) 2.140 19.643 ( 0.000 0.000 -1.371) 1.371 19.917 ( 0.000 0.000 0.352) 0.352 19.931 ( 0.000 0.000 -0.245) 0.245 22.282 ( 0.000 0.000 0.173) 0.173 22.290 ( 0.000 0.000 -0.161) 0.161 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 10.351 -7.251 12.253) 17.603 0.612 ( 13.664 -4.116 15.644) 21.175 0.894 ( 21.855 -8.289 17.840) 29.405 1.029 ( 17.747 -1.672 -8.567) 19.777 1.076 ( 7.997 -3.496 -14.128) 16.607 1.324 ( 7.213 -2.426 5.688) 9.501 1.463 ( 2.570 -2.781 -0.251) 3.795 1.560 ( 2.305 -1.213 0.727) 2.704 1.612 ( 5.070 -4.781 1.378) 7.104 1.816 ( 0.103 3.206 6.819) 7.536 1.873 ( 1.043 -0.449 -3.999) 4.157 1.958 ( 5.044 0.249 -5.183) 7.236 2.041 ( -0.572 -2.821 -2.036) 3.526 2.086 ( 1.174 3.363 -5.699) 6.721 2.232 ( -1.873 0.705 -1.544) 2.528 2.255 ( 0.116 -0.321 0.948) 1.007 2.318 ( -1.917 -0.370 -4.404) 4.817 2.370 ( -5.363 0.506 0.048) 5.387 2.475 ( -1.830 0.844 -4.946) 5.341 2.487 ( -3.452 -0.285 -3.063) 4.624 2.515 ( -2.730 2.965 -1.369) 4.257 2.596 ( -2.866 0.090 -3.404) 4.451 2.703 ( 3.002 0.516 -2.719) 4.083 2.765 ( 6.366 0.068 -5.850) 8.646 2.873 ( 0.329 -1.041 0.211) 1.112 2.973 ( -1.611 -0.921 -3.420) 3.891 3.003 ( 6.265 0.968 5.608) 8.463 3.063 ( 1.616 -1.638 4.907) 5.420 3.184 ( 3.470 0.560 8.020) 8.757 3.311 ( -2.239 2.030 4.924) 5.778 3.370 ( 3.229 -0.469 -0.848) 3.371 3.385 ( 9.296 0.361 0.498) 9.317 3.551 ( 11.243 0.125 -3.498) 11.775 3.561 ( -0.642 -0.997 3.988) 4.160 3.608 ( -2.019 1.834 -0.161) 2.732 3.774 ( 5.017 -2.841 -3.434) 6.710 4.347 ( 0.359 0.172 1.395) 1.451 4.440 ( 0.350 0.600 -2.243) 2.348 4.634 ( 12.882 0.064 3.595) 13.374 4.815 ( 7.970 1.009 -3.231) 8.659 4.865 ( 9.284 0.448 7.045) 11.663 5.155 ( 5.411 1.339 -1.097) 5.681 5.623 ( -0.154 -1.444 1.050) 1.792 5.686 ( -1.495 -1.040 -1.437) 2.320 5.807 ( -6.362 0.951 2.014) 6.740 5.837 ( -6.075 1.839 -0.331) 6.356 6.183 ( 16.748 -2.781 -17.249) 24.203 6.328 ( -6.047 -0.078 -10.045) 11.725 6.762 ( -6.072 -0.607 4.415) 7.532 6.936 ( 1.131 1.571 7.361) 7.611 6.976 ( -5.869 -1.236 -2.157) 6.374 7.400 ( 8.839 1.068 -15.119) 17.546 7.880 ( 5.623 7.537 8.558) 12.715 8.057 ( 6.058 6.476 -0.777) 8.901 8.498 ( -3.769 29.006 16.527) 33.597 8.727 ( -11.496 3.524 -1.702) 12.144 9.492 ( 5.460 2.019 1.976) 6.148 9.533 ( 11.423 0.776 -0.386) 11.456 10.047 ( -1.854 -4.276 2.273) 5.185 10.205 ( -5.333 -17.818 -6.175) 19.598 18.825 ( -7.079 1.035 8.204) 10.886 19.000 ( -6.575 0.090 -2.037) 6.884 19.194 ( -0.670 7.334 1.562) 7.528 19.303 ( 2.470 9.932 -4.454) 11.161 19.431 ( 0.305 0.024 0.978) 1.025 19.465 ( 0.273 3.195 0.463) 3.239 19.582 ( -1.665 -5.353 3.065) 6.389 19.682 ( -1.580 -9.997 -1.540) 10.237 20.081 ( 18.744 2.278 2.342) 19.027 20.382 ( 22.066 -6.675 -18.539) 29.583 22.085 ( -11.791 3.649 8.065) 14.744 22.192 ( -8.376 1.475 -0.570) 8.524 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 12.211 -5.186 9.201) 16.145 0.891 ( 11.463 -9.769 11.875) 19.179 1.196 ( 8.644 -2.065 -11.243) 14.332 1.312 ( 8.394 -3.095 -7.702) 11.805 1.448 ( 20.256 -9.728 7.910) 23.822 1.532 ( 10.235 -0.310 2.059) 10.445 1.554 ( 4.672 -0.963 -0.666) 4.817 1.678 ( 7.763 -2.656 4.450) 9.333 1.761 ( 4.222 -3.412 -0.364) 5.440 1.806 ( 4.081 -1.921 3.968) 6.007 1.901 ( 0.912 0.379 0.564) 1.137 1.999 ( -1.710 3.429 -2.728) 4.704 2.034 ( -1.050 -0.036 -3.521) 3.675 2.090 ( 4.506 2.028 -3.084) 5.825 2.186 ( -2.969 -1.940 2.142) 4.143 2.227 ( -4.985 0.279 0.023) 4.993 2.253 ( -4.554 1.722 -1.045) 4.980 2.352 ( 2.152 -5.580 -1.681) 6.212 2.404 ( -3.939 -2.165 -1.754) 4.825 2.428 ( -3.841 1.600 -5.105) 6.586 2.439 ( -2.433 1.771 -2.291) 3.783 2.545 ( -0.791 1.768 -3.647) 4.130 2.733 ( 0.176 0.573 -1.912) 2.004 2.755 ( -2.233 0.528 -0.885) 2.460 2.917 ( -0.814 0.775 -3.492) 3.668 2.937 ( -0.533 0.852 -5.551) 5.641 3.090 ( 1.076 -0.372 8.020) 8.100 3.113 ( 5.684 2.512 4.395) 7.612 3.232 ( 1.448 0.992 7.235) 7.444 3.278 ( 1.431 2.372 0.378) 2.796 3.379 ( 0.357 0.250 -3.438) 3.465 3.436 ( -4.109 1.360 -2.704) 5.103 3.653 ( 6.954 -2.410 4.878) 8.829 3.780 ( 22.326 0.793 2.169) 22.445 3.858 ( 14.495 -2.063 -4.676) 15.369 3.951 ( 14.454 -0.763 -2.338) 14.662 4.356 ( 2.437 2.396 1.742) 3.836 4.457 ( 2.875 1.093 -2.309) 3.846 4.901 ( 15.078 1.067 1.233) 15.165 4.976 ( 10.287 1.642 -1.503) 10.525 5.062 ( 11.502 1.687 7.921) 14.067 5.192 ( 1.339 1.359 4.217) 4.629 5.619 ( -3.005 0.932 -0.200) 3.153 5.647 ( -4.225 1.143 -0.430) 4.398 5.694 ( -3.730 -1.281 1.777) 4.326 5.731 ( -1.591 -2.534 2.019) 3.610 6.199 ( -6.796 -0.227 -6.815) 9.628 6.496 ( 13.494 -4.079 -21.947) 26.084 6.621 ( -11.086 -1.656 2.840) 11.563 6.758 ( -15.020 -0.743 -2.450) 15.237 6.937 ( -3.568 0.968 11.889) 12.450 7.491 ( 2.781 3.189 -14.970) 15.556 7.950 ( 8.870 6.955 7.822) 13.719 8.116 ( 8.000 10.803 1.146) 13.491 8.320 ( 4.514 15.436 9.452) 18.654 8.520 ( -5.986 4.490 -1.633) 7.659 9.590 ( 6.713 1.140 3.758) 7.778 9.728 ( 10.429 1.383 -2.246) 10.757 10.042 ( -3.818 -5.859 3.293) 7.730 10.216 ( -6.288 -10.726 -4.258) 13.142 18.765 ( -0.885 -0.439 3.735) 3.864 18.895 ( -4.724 -0.478 -2.338) 5.292 19.089 ( -2.600 8.228 2.145) 8.892 19.193 ( -3.053 9.893 -2.701) 10.700 19.446 ( 0.856 -0.985 0.666) 1.465 19.468 ( 0.875 -0.655 0.650) 1.272 19.595 ( -2.859 -6.570 2.515) 7.594 19.716 ( -5.238 -11.215 -2.259) 12.582 20.465 ( 23.201 1.563 3.567) 23.526 20.748 ( 18.718 4.025 -10.108) 21.651 21.879 ( -9.205 0.867 4.488) 10.277 21.986 ( -11.876 1.264 -1.108) 11.994 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 11.191 -5.680 5.452) 13.683 1.184 ( 10.761 -7.362 5.955) 14.334 1.363 ( 7.800 -1.790 -6.107) 10.067 1.470 ( 6.603 -0.963 -6.640) 9.413 1.605 ( 2.844 -1.359 0.280) 3.164 1.658 ( 4.984 -1.816 -1.721) 5.577 1.733 ( 3.465 2.951 3.302) 5.624 1.800 ( 5.729 -2.877 3.259) 7.192 1.843 ( -3.355 2.183 -1.189) 4.176 1.878 ( 1.612 -1.253 0.802) 2.194 1.893 ( -1.042 0.510 -0.167) 1.172 2.017 ( 2.663 -4.776 3.819) 6.670 2.051 ( -3.794 1.338 -2.560) 4.769 2.073 ( -1.558 2.170 -0.024) 2.671 2.119 ( -3.580 -0.632 0.944) 3.756 2.177 ( 0.914 -3.034 2.137) 3.822 2.230 ( 4.375 -0.719 3.694) 5.771 2.321 ( -4.911 -0.953 -3.640) 6.187 2.344 ( -1.406 0.900 -0.226) 1.685 2.390 ( -0.042 0.188 0.167) 0.255 2.525 ( 4.931 -6.311 -4.271) 9.076 2.561 ( 3.709 1.278 -0.155) 3.926 2.704 ( -2.669 -1.753 -3.695) 4.884 2.729 ( -1.821 -0.849 -7.039) 7.321 2.851 ( -1.142 0.276 -1.774) 2.128 2.934 ( -0.271 1.900 -4.024) 4.458 3.113 ( 0.820 0.760 7.052) 7.140 3.137 ( 0.329 3.829 4.588) 5.985 3.234 ( 0.197 0.877 3.819) 3.924 3.285 ( 1.340 4.394 -0.063) 4.595 3.360 ( -3.369 -0.834 -1.900) 3.956 3.378 ( 0.215 1.758 -3.227) 3.681 3.821 ( 8.141 -4.136 5.563) 10.692 4.046 ( 7.588 -2.263 -4.769) 9.244 4.138 ( 10.232 2.415 1.324) 10.597 4.208 ( 7.421 3.205 -1.423) 8.208 4.493 ( 17.699 0.883 1.912) 17.824 4.597 ( 16.068 0.808 -2.464) 16.276 5.110 ( 6.267 1.540 -0.324) 6.462 5.136 ( 6.443 0.920 -0.943) 6.576 5.207 ( 5.262 1.041 3.383) 6.341 5.228 ( 7.658 2.258 3.172) 8.591 5.525 ( -3.657 1.769 2.456) 4.747 5.570 ( -1.072 1.674 -1.798) 2.680 5.682 ( 1.737 0.339 -0.422) 1.819 5.776 ( -1.549 -4.153 -2.865) 5.278 6.147 ( 1.124 -2.446 4.538) 5.276 6.378 ( -18.986 -2.411 0.726) 19.152 6.389 ( -19.051 -2.013 -0.409) 19.162 6.748 ( -0.414 1.611 4.515) 4.811 6.875 ( 4.682 -5.352 -7.265) 10.166 7.454 ( -2.097 5.671 -14.920) 16.098 8.057 ( 7.799 5.175 5.763) 10.992 8.146 ( 5.650 10.104 3.778) 12.178 8.338 ( 5.704 4.972 2.219) 7.886 8.434 ( -0.118 3.540 -1.269) 3.762 9.712 ( 7.452 1.001 4.370) 8.697 9.891 ( 8.700 1.403 -3.232) 9.387 10.008 ( -5.162 -5.073 3.797) 8.173 10.181 ( -5.772 -6.604 -3.574) 9.471 18.775 ( 0.940 -1.380 1.411) 2.187 18.837 ( -2.597 -1.391 -1.344) 3.238 18.972 ( -2.665 6.472 1.749) 7.214 19.049 ( -4.125 6.853 -1.684) 8.174 19.473 ( 1.260 -0.526 0.784) 1.574 19.497 ( 1.101 -1.079 0.718) 1.701 19.595 ( -1.829 -3.614 1.313) 4.257 19.695 ( -6.452 -8.932 -2.262) 11.249 20.865 ( 21.444 1.879 2.947) 21.727 21.039 ( 17.460 4.594 -4.619) 18.636 21.707 ( -9.857 -0.279 1.500) 9.975 21.753 ( -12.635 0.045 -0.582) 12.649 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 6.172 -6.094 1.515) 8.805 1.321 ( 1.429 3.467 -1.107) 3.910 1.547 ( 9.105 -2.516 0.440) 9.456 1.593 ( 6.478 -5.027 1.039) 8.265 1.698 ( 4.161 0.251 -0.386) 4.186 1.717 ( -4.511 2.467 0.041) 5.141 1.748 ( 1.187 -1.295 -1.527) 2.327 1.778 ( 2.648 1.174 -1.409) 3.221 1.808 ( -4.199 2.843 -0.020) 5.070 1.841 ( -4.234 0.838 -0.814) 4.392 1.891 ( -0.734 -1.896 2.581) 3.286 1.956 ( -0.706 -0.153 -0.238) 0.760 1.978 ( -2.536 3.874 5.283) 7.025 1.999 ( -5.827 -1.472 -0.535) 6.034 2.123 ( 2.731 -1.464 -3.934) 5.008 2.201 ( -3.565 1.052 -2.728) 4.610 2.248 ( -1.029 -4.083 1.944) 4.638 2.269 ( 0.418 3.426 2.376) 4.190 2.417 ( 4.349 -2.050 -0.098) 4.809 2.527 ( 1.730 2.202 -1.646) 3.249 2.552 ( 3.312 -4.894 3.426) 6.830 2.618 ( 2.790 0.508 -1.589) 3.251 2.687 ( 1.072 -1.098 -3.673) 3.981 2.723 ( -2.574 -3.148 -1.220) 4.245 2.893 ( 0.908 1.328 -2.344) 2.843 2.917 ( -0.260 -1.945 -3.127) 3.692 3.053 ( -1.201 -0.302 1.861) 2.236 3.123 ( -0.437 4.723 3.721) 6.028 3.228 ( -0.433 -0.526 2.539) 2.629 3.243 ( -0.774 3.451 -0.596) 3.587 3.339 ( -0.542 -2.160 -0.655) 2.321 3.359 ( -0.117 2.467 -1.804) 3.058 4.003 ( 6.517 -5.299 4.189) 9.386 4.137 ( -2.470 4.649 1.947) 5.613 4.174 ( 3.411 -2.366 -2.787) 5.000 4.233 ( 0.221 3.514 -1.645) 3.887 4.843 ( 17.585 0.752 1.568) 17.671 4.931 ( 14.871 0.217 -2.315) 15.051 5.086 ( -6.289 -0.288 1.670) 6.513 5.127 ( -5.080 0.288 0.199) 5.092 5.333 ( 5.489 -2.050 0.237) 5.864 5.390 ( 6.097 1.744 -1.388) 6.491 5.483 ( 4.666 0.746 0.459) 4.748 5.591 ( 2.829 2.399 -3.406) 5.035 5.706 ( -0.511 0.930 -4.737) 4.854 5.776 ( 5.089 2.614 -3.575) 6.746 5.981 ( -19.072 -2.361 1.761) 19.298 6.042 ( -15.858 -3.430 -1.043) 16.258 6.360 ( 8.196 -6.174 16.327) 19.284 6.581 ( -9.103 5.425 17.508) 20.465 7.114 ( 9.261 -8.149 -16.913) 20.934 7.323 ( -5.757 7.438 -15.821) 18.406 8.128 ( 3.400 2.024 4.296) 5.840 8.151 ( 1.505 3.740 3.875) 5.592 8.397 ( 2.705 0.593 0.182) 2.775 8.421 ( 0.426 1.764 -0.674) 1.935 9.836 ( 7.210 1.929 4.451) 8.690 9.937 ( -6.180 -3.496 4.053) 8.176 10.026 ( 7.132 2.216 -3.381) 8.198 10.121 ( -6.066 -3.996 -3.514) 8.070 18.815 ( 1.550 -1.148 0.258) 1.946 18.824 ( -0.703 -2.431 -0.076) 2.532 18.891 ( -0.679 3.104 0.679) 3.249 18.930 ( -3.322 3.972 -0.931) 5.261 19.500 ( 1.662 0.838 1.237) 2.235 19.514 ( -0.904 -1.773 1.392) 2.429 19.606 ( 2.349 1.575 -0.656) 2.903 19.648 ( -5.436 -5.669 -1.761) 8.049 21.210 ( 17.748 1.502 1.851) 17.907 21.305 ( 14.914 2.945 -2.151) 15.353 21.493 ( -14.111 -0.701 0.940) 14.159 21.533 ( -12.236 -1.561 -0.736) 12.357 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 15.464 0.000 9.740) 18.276 0.791 ( 10.727 0.000 17.119) 20.202 1.184 ( 10.108 0.000 -12.326) 15.941 1.280 ( 9.791 0.000 -5.697) 11.328 1.361 ( 22.334 0.000 6.332) 23.214 1.544 ( 8.537 0.000 2.564) 8.913 1.548 ( 10.592 0.000 -0.876) 10.629 1.627 ( 7.954 0.000 -2.071) 8.219 1.707 ( 7.306 0.000 3.535) 8.117 1.857 ( 1.995 0.000 4.430) 4.858 1.866 ( -0.832 -0.000 2.583) 2.714 2.007 ( 1.923 0.000 -2.151) 2.885 2.057 ( -5.323 -0.000 -3.991) 6.654 2.106 ( 7.009 0.000 -7.971) 10.614 2.177 ( -4.586 -0.000 -0.091) 4.587 2.226 ( -6.045 -0.000 -0.540) 6.069 2.272 ( -2.797 -0.000 -4.146) 5.001 2.296 ( 0.097 0.000 5.045) 5.046 2.389 ( -4.746 -0.000 -0.451) 4.767 2.443 ( -3.108 -0.000 -8.513) 9.062 2.459 ( -4.678 -0.000 -2.957) 5.534 2.553 ( -1.312 -0.000 -3.069) 3.338 2.745 ( 1.816 0.000 -3.159) 3.644 2.754 ( -4.369 -0.000 3.296) 5.473 2.932 ( 3.241 0.000 -7.164) 7.863 2.936 ( -3.030 -0.000 -3.895) 4.935 3.083 ( 1.446 0.000 9.416) 9.527 3.143 ( 6.883 0.000 4.953) 8.480 3.240 ( 0.459 0.000 7.994) 8.007 3.297 ( 1.870 0.000 0.403) 1.913 3.380 ( 0.663 0.000 -3.743) 3.801 3.451 ( -4.935 -0.000 -2.707) 5.629 3.632 ( 6.610 0.000 4.673) 8.095 3.792 ( 22.887 0.000 3.126) 23.100 3.830 ( 12.842 0.000 -6.186) 14.255 3.943 ( 16.666 0.000 -2.254) 16.817 4.376 ( 2.633 0.000 1.548) 3.054 4.465 ( 2.631 0.000 -2.090) 3.360 4.912 ( 15.557 0.000 2.034) 15.689 4.991 ( 9.984 0.000 -1.340) 10.074 5.079 ( 12.360 0.000 8.998) 15.288 5.205 ( 0.835 0.000 5.110) 5.178 5.612 ( -0.211 -0.000 0.990) 1.012 5.670 ( -7.819 -0.000 2.269) 8.142 5.671 ( -0.508 -0.000 -1.671) 1.746 5.719 ( -5.593 -0.000 0.141) 5.594 6.198 ( -6.957 -0.000 -7.541) 10.260 6.455 ( 14.359 0.000 -22.404) 26.611 6.606 ( -11.321 -0.000 2.962) 11.702 6.752 ( -16.202 -0.000 -3.163) 16.508 6.947 ( -2.971 -0.000 13.211) 13.541 7.521 ( 3.494 0.000 -15.331) 15.724 8.006 ( 6.491 0.000 8.299) 10.536 8.209 ( 6.582 0.000 -2.330) 6.982 8.521 ( -4.547 -0.000 4.414) 6.337 8.563 ( -6.842 -0.000 0.276) 6.847 9.606 ( 5.970 0.000 4.692) 7.593 9.742 ( 10.271 0.000 -1.846) 10.435 9.992 ( -2.587 -0.000 2.045) 3.298 10.081 ( -1.495 -0.000 -1.711) 2.273 18.760 ( -1.350 -0.000 3.962) 4.185 18.890 ( -5.116 -0.000 -2.075) 5.521 19.188 ( -3.824 -0.000 2.249) 4.436 19.322 ( -4.089 -0.000 -4.574) 6.135 19.442 ( 0.884 0.000 1.187) 1.480 19.489 ( -4.846 -0.000 3.430) 5.938 19.508 ( 0.796 0.000 -1.830) 1.996 19.551 ( -1.796 -0.000 -0.082) 1.798 20.480 ( 23.083 0.000 3.708) 23.379 20.786 ( 19.903 0.000 -11.745) 23.110 21.889 ( -10.316 -0.000 5.065) 11.493 21.997 ( -12.596 -0.000 -1.054) 12.640 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 12.947 1.023 8.882) 15.734 1.043 ( 13.161 -7.191 10.467) 18.289 1.366 ( 9.827 0.940 -7.786) 12.573 1.459 ( 9.088 -0.344 -7.072) 11.520 1.599 ( 5.867 0.024 -1.580) 6.076 1.628 ( 3.011 -0.601 -1.975) 3.650 1.767 ( 8.760 0.667 2.852) 9.237 1.806 ( 7.205 -0.833 1.939) 7.508 1.825 ( 2.208 1.560 1.420) 3.054 1.878 ( 2.237 -0.806 1.043) 2.596 1.915 ( -0.320 0.342 1.914) 1.970 1.953 ( 2.006 -0.928 2.292) 3.184 2.056 ( -2.339 -0.671 -5.362) 5.888 2.089 ( -3.119 -0.004 -0.261) 3.130 2.100 ( -3.795 -1.238 0.689) 4.051 2.125 ( -5.180 -1.464 1.422) 5.568 2.262 ( 2.073 3.260 0.322) 3.876 2.317 ( -1.836 -0.468 -0.064) 1.896 2.356 ( -0.063 0.284 -7.446) 7.452 2.377 ( -1.263 -0.402 0.067) 1.327 2.421 ( 3.241 -4.592 -4.678) 7.312 2.559 ( 1.320 -0.885 1.331) 2.073 2.664 ( -4.897 -0.573 2.987) 5.764 2.759 ( -1.056 1.279 -6.408) 6.619 2.855 ( -3.819 0.110 -1.610) 4.146 2.960 ( 0.483 0.864 -5.316) 5.408 3.109 ( 1.048 -0.470 8.618) 8.694 3.207 ( 1.206 3.377 4.392) 5.670 3.246 ( 0.743 -0.092 2.933) 3.027 3.340 ( 2.305 1.479 1.254) 3.012 3.351 ( -4.464 -0.251 -2.740) 5.244 3.401 ( 0.626 0.695 -3.913) 4.023 3.767 ( 7.442 -1.585 6.004) 9.693 4.008 ( 6.868 -1.493 -5.425) 8.879 4.165 ( 12.082 0.713 1.232) 12.166 4.244 ( 9.146 0.957 -1.822) 9.375 4.505 ( 15.662 0.424 1.824) 15.774 4.605 ( 15.444 0.142 -2.393) 15.629 5.131 ( 5.901 0.778 -0.099) 5.953 5.147 ( 5.445 0.297 -0.632) 5.490 5.216 ( 1.963 0.219 4.074) 4.527 5.271 ( 9.187 1.806 3.275) 9.919 5.547 ( -4.530 0.580 2.222) 5.079 5.604 ( 0.293 2.321 0.207) 2.349 5.658 ( 2.703 -3.348 1.323) 4.502 5.719 ( 0.683 -1.107 -2.623) 2.927 6.123 ( -0.106 -0.477 1.229) 1.322 6.340 ( -17.419 -1.199 1.461) 17.521 6.370 ( -23.179 -0.547 -1.750) 23.252 6.731 ( 12.237 -1.806 -17.905) 21.762 6.846 ( -6.493 0.443 15.476) 16.789 7.528 ( -1.233 2.317 -15.587) 15.806 8.126 ( 6.675 2.194 6.250) 9.404 8.287 ( 3.349 4.116 -1.628) 5.551 8.424 ( -2.619 3.892 3.499) 5.852 8.477 ( -2.422 1.323 0.232) 2.769 9.727 ( 7.505 0.522 4.889) 8.973 9.910 ( 8.267 0.786 -2.943) 8.810 9.946 ( -2.926 -1.736 2.788) 4.399 10.073 ( -2.523 -4.388 -2.465) 5.630 18.757 ( 0.488 -0.581 1.518) 1.697 18.816 ( -3.232 -0.684 -1.080) 3.476 19.080 ( -4.709 4.367 1.796) 6.669 19.175 ( -6.766 5.842 -2.479) 9.276 19.450 ( -0.896 -2.849 1.921) 3.551 19.469 ( 1.975 0.312 1.518) 2.510 19.538 ( -2.534 -6.802 -1.121) 7.344 19.564 ( 2.424 -0.884 -1.249) 2.866 20.889 ( 21.149 0.751 3.512) 21.451 21.100 ( 15.932 1.933 -5.771) 17.055 21.704 ( -10.239 -0.056 1.742) 10.386 21.753 ( -13.741 0.003 -0.607) 13.754 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 7.912 -1.343 6.002) 10.021 1.335 ( 10.715 -4.077 4.704) 12.392 1.511 ( 6.092 1.405 -4.168) 7.514 1.561 ( 4.631 0.604 -0.956) 4.767 1.701 ( 7.720 0.552 -2.698) 8.197 1.713 ( 1.645 -1.801 -2.215) 3.295 1.780 ( -3.936 3.307 0.927) 5.223 1.825 ( -3.383 0.332 1.147) 3.588 1.838 ( 0.574 4.327 0.471) 4.390 1.867 ( -3.658 1.425 0.040) 3.926 1.888 ( 2.911 1.718 1.074) 3.546 1.949 ( -2.801 -0.751 -0.687) 2.981 1.984 ( -3.682 -0.453 -2.440) 4.441 2.022 ( -0.264 0.645 3.071) 3.149 2.114 ( -0.335 -3.899 2.069) 4.427 2.143 ( 0.631 -2.111 -6.790) 7.139 2.235 ( -2.307 1.937 -3.717) 4.784 2.323 ( -0.575 2.076 0.319) 2.178 2.365 ( 1.918 -3.901 1.114) 4.488 2.455 ( 9.691 -2.947 2.530) 10.441 2.563 ( 0.768 -1.530 -0.283) 1.736 2.583 ( 0.139 -1.718 3.086) 3.535 2.626 ( -1.713 -4.368 0.024) 4.692 2.688 ( -0.562 -1.995 -3.636) 4.186 2.860 ( 2.516 -0.283 -3.928) 4.673 2.950 ( 0.191 1.750 -3.874) 4.255 3.095 ( -3.760 2.769 4.835) 6.722 3.164 ( -1.107 1.022 7.320) 7.474 3.238 ( -1.304 1.792 0.279) 2.234 3.293 ( -2.014 -0.170 -1.967) 2.820 3.343 ( 0.696 3.262 -0.223) 3.343 3.401 ( 0.410 1.770 -2.865) 3.393 3.917 ( 5.784 -3.763 4.775) 8.391 4.109 ( 1.874 -3.312 -4.162) 5.639 4.214 ( -1.993 2.711 1.439) 3.660 4.281 ( -0.654 1.890 -1.026) 2.247 4.855 ( 18.190 0.526 1.544) 18.263 4.936 ( 14.877 0.205 -1.772) 14.984 5.083 ( -8.501 0.035 1.452) 8.624 5.128 ( -5.470 -0.149 -0.053) 5.472 5.308 ( 5.335 -0.760 0.460) 5.409 5.419 ( 7.140 1.342 -3.887) 8.240 5.497 ( 0.644 0.562 -0.003) 0.854 5.631 ( 0.567 1.897 -4.248) 4.687 5.725 ( 4.523 1.356 -0.854) 4.798 5.799 ( 5.240 0.020 -0.591) 5.274 5.937 ( -19.064 -2.534 1.651) 19.302 5.983 ( -16.916 -2.809 -1.068) 17.181 6.272 ( 8.603 -3.213 13.140) 16.031 6.669 ( -8.029 4.001 18.562) 20.616 6.991 ( 10.005 -5.206 -16.894) 20.313 7.441 ( -4.668 5.196 -16.673) 18.077 8.177 ( 0.754 2.872 4.615) 5.488 8.238 ( -2.844 5.568 2.575) 6.762 8.387 ( -1.491 -1.792 0.845) 2.480 8.433 ( -2.340 -0.149 -0.670) 2.439 9.864 ( 7.007 0.812 4.404) 8.316 9.889 ( -3.237 -1.340 3.914) 5.253 10.047 ( -2.089 -2.918 -3.307) 4.880 10.060 ( 6.024 0.611 -3.220) 6.858 18.783 ( -1.396 -1.746 0.120) 2.239 18.786 ( 1.431 -1.492 0.039) 2.067 18.966 ( -3.066 4.104 0.897) 5.200 19.014 ( -5.335 4.730 -1.129) 7.219 19.465 ( -0.472 -2.903 0.953) 3.091 19.502 ( 0.504 -1.304 0.634) 1.535 19.553 ( -0.162 -3.727 0.641) 3.785 19.638 ( 5.559 1.476 -1.960) 6.077 21.233 ( 17.157 0.997 2.303) 17.339 21.351 ( 13.327 1.982 -2.669) 13.736 21.484 ( -14.841 -0.249 0.578) 14.854 21.508 ( -13.062 -1.212 -0.389) 13.124 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.034 -1.570 2.682) 3.714 1.369 ( -2.806 8.496 -1.288) 9.040 1.589 ( -3.443 0.593 0.590) 3.543 1.659 ( -4.295 2.286 -1.183) 5.007 1.670 ( -0.967 -1.181 -0.121) 1.531 1.716 ( -3.748 -1.841 0.393) 4.195 1.730 ( 6.833 -0.481 3.136) 7.533 1.779 ( -0.798 1.636 -2.860) 3.390 1.793 ( -1.262 1.880 -0.486) 2.316 1.835 ( 2.826 -0.306 -0.198) 2.849 1.928 ( 0.600 -0.237 1.403) 1.544 1.936 ( 0.873 2.724 1.337) 3.157 1.985 ( 4.676 2.389 -1.465) 5.451 2.029 ( 3.814 1.768 2.737) 5.017 2.139 ( -0.301 -1.672 -1.174) 2.065 2.189 ( 0.247 -0.291 -0.750) 0.842 2.201 ( 2.764 -1.686 -5.403) 6.299 2.299 ( -0.899 0.550 0.431) 1.139 2.436 ( -0.977 -3.874 -3.482) 5.300 2.451 ( -4.233 -0.677 -1.242) 4.463 2.561 ( -1.757 -2.819 3.123) 4.559 2.643 ( -0.357 2.227 4.068) 4.651 2.675 ( 2.849 -2.518 1.816) 4.214 2.777 ( 4.628 -3.732 -0.910) 6.015 2.833 ( -4.630 3.311 -1.275) 5.832 2.962 ( 2.806 1.131 -2.889) 4.183 3.039 ( 0.817 -2.922 1.826) 3.542 3.134 ( -4.395 6.140 -2.269) 7.884 3.163 ( -1.908 -3.460 2.514) 4.683 3.268 ( -0.693 0.997 1.590) 2.001 3.336 ( 1.038 1.120 -1.250) 1.973 3.387 ( 0.345 2.535 -1.624) 3.030 4.030 ( 1.051 -4.985 2.417) 5.639 4.097 ( -5.269 3.472 3.264) 7.104 4.151 ( -2.123 -4.746 -2.672) 5.845 4.217 ( -4.451 1.456 -1.549) 4.932 4.832 ( -17.332 -0.458 1.817) 17.433 4.929 ( -15.104 -0.006 -2.604) 15.327 5.091 ( 4.287 0.166 1.703) 4.616 5.118 ( 4.984 -0.687 0.482) 5.054 5.358 ( -5.570 -0.993 -1.063) 5.756 5.378 ( -7.892 2.107 -0.017) 8.168 5.482 ( -7.573 0.890 2.059) 7.898 5.547 ( -2.615 -2.573 -4.311) 5.660 5.681 ( -2.718 -2.683 -3.896) 5.455 5.722 ( 0.554 -2.367 -6.641) 7.072 6.022 ( 20.275 2.228 2.327) 20.530 6.091 ( 15.300 1.680 -0.359) 15.397 6.441 ( -2.442 0.155 17.047) 17.222 6.522 ( 4.972 1.499 16.912) 17.691 7.189 ( 4.538 -5.340 -16.271) 17.715 7.269 ( -6.360 6.886 -16.952) 19.371 8.110 ( -5.870 -0.467 4.375) 7.336 8.123 ( -6.678 1.107 4.470) 8.112 8.368 ( -3.695 -4.084 -0.278) 5.514 8.371 ( -5.833 -2.234 -0.265) 6.251 9.805 ( -5.945 -1.430 4.028) 7.322 9.979 ( -4.830 -1.750 -2.694) 5.801 10.004 ( 6.797 2.544 3.533) 8.072 10.182 ( 7.426 2.777 -3.488) 8.662 18.787 ( -0.505 -2.925 0.925) 3.110 18.835 ( 1.538 -1.578 -1.112) 2.468 18.902 ( -2.286 2.759 0.182) 3.587 18.910 ( -0.191 1.870 -0.071) 1.881 19.480 ( -0.067 -1.270 0.220) 1.291 19.506 ( -1.437 -2.251 -0.294) 2.687 19.603 ( 3.813 0.952 2.877) 4.870 19.736 ( 7.623 3.992 -2.660) 9.007 21.184 ( -18.471 -1.293 1.356) 18.566 21.254 ( -16.538 -2.528 -1.593) 16.806 21.507 ( 13.539 0.730 1.210) 13.613 21.559 ( 11.037 1.284 -0.995) 11.156 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -9.742 9.082 2.553) 13.562 1.275 ( -3.216 3.308 1.532) 4.862 1.447 ( -6.564 6.885 -3.393) 10.100 1.502 ( -5.447 2.834 -3.285) 6.963 1.637 ( -2.177 1.496 0.255) 2.654 1.676 ( -4.969 -0.175 -1.360) 5.155 1.720 ( -2.489 1.920 0.412) 3.170 1.788 ( 3.769 -1.052 -2.877) 4.857 1.854 ( 1.647 -0.549 2.679) 3.192 1.897 ( -1.296 2.936 0.438) 3.239 1.918 ( 0.673 0.425 2.328) 2.460 1.988 ( 3.549 -3.859 6.344) 8.230 2.039 ( 0.322 0.216 -2.864) 2.890 2.102 ( 3.108 3.514 0.552) 4.723 2.118 ( 3.864 -0.449 0.604) 3.937 2.235 ( -2.042 2.205 1.324) 3.284 2.254 ( -2.290 0.023 -0.105) 2.292 2.296 ( 2.770 -1.274 -4.581) 5.503 2.350 ( -0.112 -0.047 3.663) 3.665 2.407 ( -4.468 1.352 1.143) 4.806 2.523 ( -3.278 -1.073 -0.463) 3.481 2.594 ( 0.990 1.312 0.137) 1.649 2.699 ( -0.001 0.770 -3.187) 3.279 2.793 ( 0.668 0.180 -2.172) 2.280 2.872 ( -1.500 1.186 -4.895) 5.255 2.906 ( -1.228 2.521 -6.520) 7.097 3.069 ( -1.608 -3.954 5.050) 6.613 3.086 ( 1.536 -1.509 1.804) 2.809 3.190 ( -0.363 -4.657 0.963) 4.769 3.244 ( -1.244 0.350 3.986) 4.190 3.352 ( 0.615 -0.486 -2.162) 2.299 3.384 ( 1.899 1.809 -1.415) 2.980 3.899 ( -8.927 4.203 4.035) 10.660 4.067 ( -8.749 -2.240 -1.058) 9.093 4.084 ( -6.250 -1.509 -1.274) 6.554 4.133 ( -6.929 -4.863 -0.913) 8.514 4.479 ( -19.741 -0.605 1.923) 19.844 4.576 ( -18.211 -1.369 -2.094) 18.382 5.081 ( -7.315 -1.597 -0.550) 7.508 5.117 ( -7.498 -1.124 -1.231) 7.682 5.174 ( -8.405 -2.092 2.735) 9.083 5.204 ( -7.058 -0.978 2.255) 7.474 5.490 ( 2.301 -2.015 1.994) 3.652 5.542 ( 1.394 -1.436 -2.694) 3.356 5.667 ( 0.874 -1.067 0.540) 1.481 5.830 ( 5.103 1.882 -6.367) 8.374 6.208 ( -2.454 4.077 7.626) 8.989 6.404 ( 20.637 1.168 -1.266) 20.708 6.449 ( 13.800 3.493 3.945) 14.772 6.697 ( 6.980 -2.898 12.839) 14.899 7.005 ( -9.922 7.918 -17.168) 21.351 7.346 ( 3.176 -5.874 -13.961) 15.476 7.958 ( -13.110 -5.111 7.261) 15.834 8.005 ( -7.698 -4.851 5.771) 10.775 8.249 ( -10.243 -5.120 1.284) 11.523 8.351 ( -2.317 -5.740 -2.056) 6.522 9.695 ( -6.923 -0.853 3.738) 7.913 9.862 ( -8.673 -1.800 -3.188) 9.414 10.108 ( 7.409 5.604 3.805) 10.039 10.284 ( 7.462 4.742 -3.703) 9.585 18.794 ( -1.193 -0.209 0.964) 1.548 18.837 ( -0.177 -1.877 -1.037) 2.152 18.901 ( 2.605 -0.212 1.318) 2.927 18.956 ( 3.128 -3.405 -1.156) 4.766 19.482 ( -0.213 0.252 -0.136) 0.358 19.497 ( -0.760 -0.408 -0.239) 0.896 19.665 ( 4.964 3.635 4.030) 7.355 19.837 ( 8.288 6.891 -3.303) 11.273 20.828 ( -21.844 -2.107 2.107) 22.047 20.951 ( -19.554 -4.942 -3.167) 20.416 21.714 ( 9.448 0.541 1.130) 9.531 21.751 ( 10.981 -0.163 -0.459) 10.992 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -10.383 9.173 7.408) 15.710 1.084 ( -9.570 11.042 5.458) 15.598 1.273 ( -6.247 6.314 -9.879) 13.285 1.378 ( -5.857 4.360 -7.855) 10.725 1.563 ( -7.123 3.127 2.288) 8.108 1.595 ( -1.464 3.237 0.027) 3.553 1.665 ( -5.420 3.683 4.775) 8.108 1.678 ( -10.458 9.653 8.618) 16.638 1.832 ( -4.150 1.496 -3.040) 5.357 1.856 ( -2.087 -3.348 -0.713) 4.009 1.899 ( -1.028 4.455 2.107) 5.034 1.962 ( -3.658 2.433 1.372) 4.602 2.010 ( -3.284 -2.815 0.398) 4.344 2.065 ( 0.652 -0.193 -2.586) 2.674 2.205 ( 2.647 -2.061 1.457) 3.658 2.220 ( 5.945 -0.154 1.839) 6.225 2.252 ( 2.509 3.155 2.116) 4.553 2.377 ( 2.373 -4.953 -2.876) 6.199 2.397 ( 1.948 -2.094 0.847) 2.983 2.437 ( 2.926 3.810 -1.622) 5.070 2.487 ( -1.187 0.102 -3.886) 4.064 2.519 ( -0.951 5.672 -5.207) 7.758 2.713 ( -0.540 -2.173 -3.562) 4.207 2.747 ( -1.501 0.182 -4.760) 4.994 2.879 ( 3.226 -3.789 -2.341) 5.499 2.936 ( 0.611 1.214 -3.782) 4.019 3.074 ( -2.575 -2.400 4.315) 5.569 3.080 ( -2.063 -1.168 3.319) 4.079 3.212 ( -1.574 -4.720 0.823) 5.043 3.215 ( -1.931 -0.537 6.815) 7.103 3.366 ( 0.358 -0.940 -2.265) 2.478 3.422 ( 2.687 0.022 -2.030) 3.368 3.706 ( -9.234 3.069 3.385) 10.302 3.767 ( -20.635 -0.593 2.855) 20.840 3.884 ( -16.291 0.719 -3.773) 16.738 3.960 ( -10.360 -0.131 -2.603) 10.682 4.290 ( -3.351 -4.834 2.671) 6.460 4.419 ( -3.622 -3.236 -2.561) 5.491 4.880 ( -14.217 -1.270 -0.505) 14.282 4.936 ( -10.941 -2.706 -1.835) 11.419 5.028 ( -10.496 -1.969 6.462) 12.482 5.161 ( -2.111 -1.996 2.488) 3.825 5.576 ( 4.233 -3.251 0.210) 5.341 5.616 ( 4.129 -2.212 -1.963) 5.080 5.713 ( 3.804 0.742 3.465) 5.199 5.811 ( -1.854 5.343 2.907) 6.359 6.209 ( 5.851 1.008 -4.585) 7.502 6.573 ( -10.367 3.999 -19.631) 22.558 6.662 ( 10.517 2.773 2.704) 11.208 6.775 ( 10.704 0.883 1.162) 10.803 6.925 ( 4.310 0.129 5.722) 7.165 7.417 ( -1.039 -4.877 -13.856) 14.726 7.743 ( -18.562 -13.242 13.016) 26.255 7.925 ( -7.224 -8.181 5.281) 12.125 8.117 ( -9.443 -8.744 7.121) 14.708 8.418 ( 4.259 -6.754 -3.968) 8.916 9.574 ( -6.702 -0.632 2.706) 7.255 9.699 ( -10.548 -1.692 -2.444) 10.959 10.169 ( 5.584 7.650 3.840) 10.220 10.378 ( 8.504 6.957 -5.077) 12.103 18.773 ( -0.273 0.336 2.781) 2.814 18.882 ( 2.098 -3.446 -2.412) 4.701 18.972 ( 3.284 -2.910 2.174) 4.897 19.053 ( 2.643 -5.590 -1.652) 6.400 19.468 ( -0.555 1.041 0.099) 1.184 19.484 ( -0.237 1.386 -0.288) 1.436 19.711 ( 4.352 5.876 4.639) 8.660 19.893 ( 4.327 8.811 -3.040) 10.276 20.431 ( -22.888 -2.104 2.947) 23.172 20.655 ( -16.823 -6.075 -7.204) 19.283 21.865 ( 7.510 -0.558 3.201) 8.183 21.957 ( 10.213 -1.846 -1.099) 10.436 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -7.097 9.052 13.177) 17.491 0.753 ( -16.130 10.671 7.546) 20.761 1.070 ( -12.067 7.554 -6.352) 15.589 1.152 ( -11.714 7.855 -8.176) 16.303 1.217 ( -12.098 17.871 7.250) 22.766 1.408 ( -3.352 6.865 4.918) 9.086 1.551 ( -0.380 6.821 -0.819) 6.881 1.607 ( -2.766 2.510 7.346) 8.241 1.726 ( -4.137 6.643 -2.680) 8.272 1.791 ( -0.017 1.649 3.743) 4.090 1.856 ( -2.247 -2.135 1.590) 3.483 1.943 ( -3.882 -0.781 -5.069) 6.433 2.000 ( -1.204 -5.312 -4.004) 6.760 2.090 ( 1.880 1.125 -7.526) 7.838 2.236 ( 0.704 1.144 2.299) 2.662 2.256 ( 0.855 0.375 1.295) 1.597 2.342 ( 3.289 0.649 -3.823) 5.085 2.370 ( 0.758 2.449 -1.175) 2.820 2.445 ( 0.758 -3.322 -2.787) 4.402 2.462 ( 2.972 -2.265 1.962) 4.220 2.487 ( 3.056 -0.505 -2.132) 3.760 2.586 ( 3.867 -0.288 -4.412) 5.874 2.693 ( -3.296 -0.915 -0.834) 3.521 2.739 ( -2.811 -2.407 -3.296) 4.955 2.908 ( -0.745 2.376 -2.016) 3.204 2.966 ( 1.498 -2.079 -3.491) 4.331 2.990 ( -3.813 0.137 2.059) 4.336 3.073 ( -1.996 -1.312 -1.000) 2.590 3.178 ( -1.467 -0.020 8.154) 8.285 3.244 ( 0.045 -5.395 3.230) 6.289 3.369 ( -12.035 -1.066 2.300) 12.299 3.381 ( 0.218 0.424 -0.576) 0.748 3.524 ( 1.026 -2.784 -0.486) 3.007 3.570 ( -7.995 0.649 -3.142) 8.615 3.623 ( -4.520 2.999 5.159) 7.486 3.829 ( -3.771 2.395 -3.529) 5.693 4.315 ( 0.781 -3.962 0.900) 4.137 4.415 ( -0.454 -2.468 -2.515) 3.552 4.632 ( -12.412 -0.382 1.803) 12.549 4.782 ( -7.848 -2.449 -3.237) 8.835 4.851 ( -8.878 -1.111 6.785) 11.229 5.119 ( -5.351 -2.257 -2.368) 6.272 5.657 ( 0.839 1.131 -0.060) 1.410 5.690 ( 2.776 -1.736 -1.278) 3.515 5.791 ( 5.715 0.402 4.989) 7.597 5.804 ( 4.038 -0.970 1.863) 4.551 6.253 ( -17.469 4.138 -17.568) 25.118 6.331 ( 6.162 0.363 -9.788) 11.572 6.783 ( 5.451 1.685 4.327) 7.161 6.904 ( 0.302 -1.812 6.739) 6.985 7.000 ( 4.477 1.306 -1.181) 4.811 7.367 ( -8.916 -2.290 -11.210) 14.505 7.574 ( -13.175 -21.012 18.945) 31.209 7.882 ( -6.502 -11.487 -0.043) 13.200 8.103 ( -2.058 -12.110 20.666) 24.041 8.622 ( 9.784 -7.629 -5.290) 13.487 9.472 ( -4.757 -0.583 0.853) 4.868 9.513 ( -10.585 -1.251 -0.834) 10.692 10.174 ( 2.860 8.692 3.992) 9.983 10.468 ( 8.849 9.710 -9.787) 16.382 18.796 ( 2.776 -1.907 6.594) 7.405 18.974 ( 3.846 -4.903 -2.823) 6.841 19.059 ( 2.128 -4.284 1.945) 5.163 19.128 ( -1.345 -6.495 -1.470) 6.794 19.448 ( -0.385 1.456 0.330) 1.542 19.463 ( -0.629 1.275 0.088) 1.424 19.709 ( 1.455 7.083 3.874) 8.204 19.810 ( -5.937 5.506 -0.893) 8.146 20.058 ( -17.381 -0.167 4.215) 17.886 20.472 ( -5.856 1.770 -16.309) 17.419 22.010 ( 6.470 -3.637 6.883) 10.122 22.146 ( 7.185 -3.426 -1.112) 8.037 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 0.000 10.546 11.950) 15.939 0.470 ( 0.000 10.408 15.052) 18.300 0.825 ( 0.000 5.639 -7.636) 9.492 0.855 ( 0.000 20.514 23.417) 31.132 1.058 ( 0.000 6.012 -15.752) 16.861 1.317 ( 0.000 6.845 4.953) 8.449 1.485 ( 0.000 6.220 -2.676) 6.772 1.551 ( 0.000 2.859 8.454) 8.925 1.617 ( 0.000 6.853 -2.395) 7.259 1.792 ( -0.000 -1.218 5.625) 5.755 1.872 ( -0.000 -4.316 2.280) 4.881 1.882 ( 0.000 1.978 -11.073) 11.249 2.019 ( -0.000 -3.734 -4.307) 5.700 2.087 ( 0.000 3.628 -3.455) 5.010 2.240 ( -0.000 -0.462 -0.186) 0.498 2.262 ( -0.000 -0.437 -1.265) 1.339 2.342 ( 0.000 0.189 -5.920) 5.923 2.428 ( -0.000 -1.646 2.390) 2.902 2.477 ( -0.000 -0.305 -6.254) 6.261 2.526 ( -0.000 -0.946 -1.869) 2.094 2.542 ( 0.000 1.156 3.453) 3.642 2.585 ( -0.000 -2.711 -0.653) 2.789 2.645 ( 0.000 1.498 -1.096) 1.857 2.691 ( 0.000 0.316 -8.238) 8.244 2.888 ( 0.000 1.423 2.182) 2.605 2.938 ( -0.000 -0.576 3.568) 3.615 3.016 ( -0.000 -0.067 -3.308) 3.309 3.035 ( 0.000 0.409 -4.150) 4.170 3.164 ( 0.000 1.536 9.002) 9.132 3.256 ( -0.000 -0.864 3.404) 3.512 3.298 ( -0.000 -5.046 3.596) 6.196 3.384 ( 0.000 0.629 0.554) 0.838 3.436 ( 0.000 0.725 -3.949) 4.015 3.568 ( 0.000 2.536 5.271) 5.849 3.665 ( -0.000 -6.133 -1.445) 6.301 3.768 ( 0.000 3.538 -3.620) 5.062 4.362 ( -0.000 -0.533 -2.380) 2.439 4.431 ( -0.000 -1.322 -2.574) 2.894 4.498 ( -0.000 -0.401 3.116) 3.142 4.713 ( -0.000 -1.244 -4.909) 5.064 4.770 ( -0.000 -0.648 5.733) 5.769 5.030 ( -0.000 -0.048 -6.978) 6.978 5.640 ( 0.000 1.922 1.138) 2.234 5.736 ( 0.000 1.338 -4.802) 4.985 5.862 ( -0.000 -1.126 0.727) 1.340 5.915 ( 0.000 1.574 -1.963) 2.516 5.944 ( 0.000 0.286 10.369) 10.373 6.390 ( 0.000 0.394 -10.571) 10.579 6.860 ( 0.000 0.163 6.666) 6.668 6.864 ( -0.000 -0.204 6.473) 6.476 7.051 ( -0.000 -0.113 -2.726) 2.729 7.247 ( -0.000 -2.566 -5.534) 6.100 7.651 ( -0.000 -22.369 16.340) 27.701 7.919 ( -0.000 -10.667 -0.746) 10.693 8.240 ( -0.000 -24.001 31.703) 39.764 8.816 ( -0.000 -7.685 -4.881) 9.104 9.392 ( -0.000 -0.128 0.710) 0.721 9.426 ( -0.000 -0.099 -0.712) 0.719 10.124 ( 0.000 8.004 3.305) 8.660 10.467 ( 0.000 15.620 -17.665) 23.580 18.939 ( -0.000 -14.125 12.161) 18.639 19.087 ( -0.000 -0.036 0.022) 0.042 19.088 ( -0.000 -0.008 -0.020) 0.022 19.104 ( -0.000 -10.357 -0.860) 10.393 19.433 ( 0.000 0.975 0.613) 1.152 19.449 ( 0.000 0.033 0.655) 0.655 19.651 ( 0.000 6.958 2.353) 7.345 19.682 ( 0.000 2.409 0.418) 2.445 19.870 ( 0.000 2.652 4.976) 5.639 20.344 ( 0.000 16.234 -23.188) 28.306 22.149 ( -0.000 -9.455 8.368) 12.626 22.250 ( -0.000 -3.414 -0.420) 3.440 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 7.454 0.000 10.096) 12.550 1.265 ( 14.004 0.000 5.916) 15.202 1.547 ( 8.932 0.000 -3.544) 9.609 1.568 ( 1.465 0.000 -5.804) 5.987 1.696 ( 2.501 0.000 -2.216) 3.342 1.711 ( 7.489 0.000 -1.838) 7.711 1.816 ( -4.459 -0.000 1.564) 4.726 1.821 ( -0.892 -0.000 1.643) 1.870 1.873 ( -2.037 -0.000 2.144) 2.958 1.895 ( 1.666 0.000 -0.921) 1.904 1.945 ( -1.424 -0.000 -1.853) 2.337 1.950 ( 2.252 0.000 -2.330) 3.241 1.968 ( -1.973 -0.000 -1.070) 2.245 2.000 ( -4.210 -0.000 0.586) 4.251 2.031 ( -0.563 -0.000 3.123) 3.173 2.152 ( 2.706 0.000 -8.321) 8.750 2.276 ( -1.343 -0.000 -7.175) 7.300 2.291 ( -0.714 -0.000 -2.365) 2.471 2.357 ( -2.537 -0.000 5.556) 6.108 2.437 ( 9.325 0.000 0.205) 9.328 2.501 ( 5.430 0.000 1.819) 5.727 2.583 ( 1.202 0.000 6.938) 7.041 2.597 ( -0.677 -0.000 3.072) 3.146 2.661 ( -7.527 -0.000 -4.259) 8.648 2.863 ( 3.259 0.000 -4.297) 5.393 2.966 ( 0.060 0.000 -4.370) 4.371 3.115 ( -0.245 -0.000 5.343) 5.348 3.183 ( -6.229 -0.000 7.254) 9.561 3.263 ( 1.244 0.000 1.051) 1.629 3.281 ( -2.636 -0.000 -2.944) 3.952 3.378 ( 0.962 0.000 0.334) 1.018 3.417 ( 0.523 0.000 -3.410) 3.450 3.883 ( 5.617 0.000 4.602) 7.261 4.074 ( 1.016 0.000 -4.735) 4.843 4.237 ( -1.658 -0.000 1.169) 2.029 4.298 ( -1.117 -0.000 -0.853) 1.405 4.860 ( 18.548 0.000 1.586) 18.616 4.937 ( 14.936 0.000 -1.500) 15.011 5.085 ( -9.672 -0.000 1.392) 9.772 5.126 ( -5.535 -0.000 -0.124) 5.536 5.302 ( 5.637 0.000 0.229) 5.641 5.432 ( 7.148 0.000 -5.838) 9.229 5.501 ( -0.783 -0.000 0.800) 1.120 5.649 ( -1.919 -0.000 -5.811) 6.120 5.746 ( 9.495 0.000 2.311) 9.772 5.791 ( 7.745 0.000 1.565) 7.901 5.908 ( -23.716 -0.000 1.342) 23.754 5.956 ( -16.545 -0.000 -0.900) 16.569 6.245 ( 8.788 0.000 11.024) 14.099 6.708 ( -7.914 -0.000 19.475) 21.021 6.942 ( 10.595 0.000 -17.571) 20.518 7.489 ( -4.224 -0.000 -17.104) 17.618 8.207 ( -0.031 -0.000 4.872) 4.872 8.323 ( -1.809 -0.000 -1.160) 2.149 8.339 ( -6.507 -0.000 4.241) 7.767 8.429 ( -3.681 -0.000 -0.660) 3.740 9.863 ( 0.159 0.000 3.416) 3.420 9.888 ( 4.560 0.000 4.543) 6.437 10.012 ( -2.590 -0.000 -2.766) 3.790 10.071 ( 8.098 0.000 -3.345) 8.762 18.767 ( -1.814 -0.000 0.191) 1.824 18.772 ( 1.480 0.000 -0.030) 1.481 19.008 ( -4.408 -0.000 1.070) 4.536 19.065 ( -7.054 -0.000 -1.346) 7.181 19.435 ( 0.687 0.000 0.425) 0.808 19.470 ( -1.148 -0.000 -0.848) 1.427 19.532 ( 3.978 0.000 2.987) 4.975 19.651 ( 6.318 0.000 -2.237) 6.703 21.243 ( 16.932 0.000 2.487) 17.114 21.369 ( 12.659 0.000 -2.884) 12.984 21.483 ( -15.719 -0.000 0.305) 15.722 21.495 ( -12.809 -0.000 -0.123) 12.810 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 3.359 0.335 7.408) 8.141 1.481 ( 5.506 0.967 1.410) 5.765 1.565 ( 0.982 1.808 -1.278) 2.423 1.643 ( -3.953 -2.208 -1.585) 4.798 1.689 ( 1.932 0.848 0.493) 2.167 1.709 ( -7.434 0.485 0.403) 7.461 1.763 ( 0.084 1.941 0.904) 2.143 1.787 ( 0.024 -0.517 -0.510) 0.726 1.843 ( -2.336 1.406 0.482) 2.769 1.847 ( 2.313 4.205 -1.257) 4.961 1.932 ( -2.930 -1.146 -2.170) 3.822 1.976 ( 5.586 0.441 -1.724) 5.863 2.022 ( 5.885 1.856 -1.322) 6.311 2.048 ( 1.188 -0.481 1.416) 1.910 2.079 ( 4.788 -2.209 -0.748) 5.326 2.179 ( 1.883 1.016 -5.605) 5.999 2.228 ( -1.409 1.506 -5.389) 5.770 2.270 ( -3.263 -2.872 -5.581) 7.074 2.360 ( 2.115 -2.546 2.023) 3.879 2.457 ( -9.512 0.208 -1.950) 9.712 2.542 ( 0.977 0.453 6.875) 6.959 2.617 ( 5.352 -3.822 1.916) 6.851 2.646 ( 4.278 -0.901 2.698) 5.137 2.681 ( 2.598 -2.780 6.441) 7.481 2.922 ( 1.948 2.758 -4.153) 5.352 2.973 ( 0.589 0.237 -2.452) 2.533 3.026 ( -5.489 1.485 5.877) 8.178 3.114 ( -1.925 -2.313 2.153) 3.700 3.217 ( -3.202 2.807 -2.561) 4.969 3.272 ( -1.155 -0.195 0.986) 1.531 3.376 ( 0.245 1.920 -1.635) 2.533 3.419 ( 0.290 0.949 -2.193) 2.407 3.964 ( 1.995 -1.679 2.060) 3.323 4.063 ( -3.072 -3.489 -3.247) 5.670 4.152 ( -6.457 1.572 2.115) 6.974 4.233 ( -5.692 0.341 -0.519) 5.725 4.828 ( -17.422 -0.072 2.134) 17.552 4.930 ( -15.390 0.068 -2.534) 15.598 5.093 ( 2.604 0.132 1.472) 2.994 5.106 ( 5.905 -0.492 0.556) 5.951 5.342 ( -9.002 -0.580 -0.369) 9.028 5.423 ( -6.625 2.729 0.011) 7.165 5.481 ( -8.784 -2.512 -2.200) 9.397 5.536 ( -4.386 2.764 -1.867) 5.510 5.611 ( -4.783 -4.328 -1.322) 6.585 5.703 ( 6.262 -0.339 -8.439) 10.514 6.057 ( 20.125 1.616 2.260) 20.316 6.097 ( 16.112 -0.634 2.225) 16.277 6.414 ( 5.409 -1.044 13.817) 14.875 6.577 ( -2.254 2.243 18.634) 18.903 7.114 ( 6.659 -2.310 -16.140) 17.612 7.368 ( -7.529 3.131 -18.284) 20.020 8.115 ( -8.304 0.587 5.102) 9.764 8.174 ( -8.709 4.077 4.654) 10.683 8.281 ( -5.768 -5.108 0.067) 7.705 8.334 ( -7.784 -1.471 -0.893) 7.972 9.788 ( -5.230 -0.417 3.516) 6.315 9.947 ( -5.332 -1.137 -3.036) 6.240 10.043 ( 9.335 1.256 4.046) 10.251 10.216 ( 8.036 0.968 -3.312) 8.746 18.748 ( -0.798 -1.159 1.145) 1.814 18.809 ( 1.950 -0.819 -1.468) 2.574 18.943 ( -1.779 1.345 0.171) 2.237 18.947 ( -4.277 1.486 0.086) 4.529 19.461 ( 1.328 -0.606 -0.581) 1.571 19.467 ( 0.024 -1.486 -0.479) 1.562 19.618 ( 5.398 0.494 4.259) 6.894 19.785 ( 8.654 1.406 -3.125) 9.308 21.168 ( -18.994 -0.500 1.037) 19.029 21.222 ( -17.497 -0.990 -1.235) 17.569 21.516 ( 13.217 0.307 1.351) 13.290 21.576 ( 10.193 0.495 -1.129) 10.268 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -3.058 3.035 2.846) 5.164 1.360 ( -4.730 8.110 2.216) 9.646 1.538 ( -7.106 1.819 -2.700) 7.816 1.579 ( -0.740 5.107 -2.749) 5.846 1.637 ( -2.317 -2.427 -0.103) 3.357 1.659 ( -0.925 0.251 -0.739) 1.210 1.784 ( 0.122 3.060 0.608) 3.122 1.801 ( 0.393 2.447 -0.956) 2.656 1.842 ( 2.744 0.039 0.909) 2.891 1.885 ( 3.412 -0.816 1.465) 3.802 1.915 ( 0.046 -1.875 -2.535) 3.153 1.969 ( -2.416 1.551 2.889) 4.073 2.061 ( 1.139 -1.501 0.979) 2.123 2.119 ( -1.068 2.239 -0.625) 2.559 2.156 ( 5.138 2.410 0.910) 5.748 2.216 ( 1.570 -1.685 -2.672) 3.528 2.236 ( -1.357 -1.964 -1.245) 2.692 2.272 ( 3.559 -1.922 -8.673) 9.570 2.337 ( -2.627 -3.154 -0.539) 4.140 2.407 ( 0.850 0.757 1.859) 2.179 2.539 ( -0.369 2.203 4.993) 5.470 2.666 ( -1.854 5.592 6.013) 8.418 2.696 ( -1.406 -1.479 0.112) 2.044 2.725 ( 1.732 -5.237 1.960) 5.854 2.863 ( 1.515 -0.251 2.760) 3.159 2.997 ( 0.501 0.977 -4.272) 4.411 3.030 ( -2.884 0.829 -4.514) 5.420 3.063 ( -2.173 -0.534 -0.950) 2.431 3.138 ( -1.242 0.171 1.043) 1.631 3.239 ( -2.413 -0.998 0.738) 2.714 3.367 ( 0.294 1.510 -0.552) 1.634 3.418 ( 1.166 1.741 -1.439) 2.542 3.951 ( -6.794 0.516 1.133) 6.907 4.003 ( -7.282 -1.430 2.333) 7.779 4.031 ( -5.883 -5.281 -1.692) 8.084 4.089 ( -9.828 -0.421 -1.472) 9.946 4.472 ( -20.241 -0.167 2.015) 20.342 4.554 ( -21.276 -0.995 -1.391) 21.345 5.057 ( -8.412 -0.993 -0.626) 8.493 5.100 ( -7.937 -0.765 -1.115) 8.051 5.145 ( -6.627 -1.022 2.627) 7.202 5.185 ( -11.345 -1.090 0.607) 11.413 5.457 ( 1.357 -1.550 0.886) 2.243 5.523 ( 1.319 -0.712 -2.913) 3.276 5.649 ( 3.028 -0.838 2.054) 3.753 5.850 ( 7.148 0.551 -7.766) 10.569 6.272 ( -2.027 2.697 7.844) 8.539 6.424 ( 19.407 1.143 -0.576) 19.449 6.484 ( 12.497 0.157 7.709) 14.684 6.673 ( 8.424 0.301 12.108) 14.753 7.117 ( -10.387 3.793 -19.944) 22.804 7.268 ( 2.389 -2.340 -13.168) 13.586 7.910 ( -15.766 -0.425 10.249) 18.810 7.965 ( -8.988 0.201 4.986) 10.280 8.164 ( -12.813 -4.106 -0.064) 13.455 8.237 ( -3.920 -6.643 -2.058) 7.983 9.684 ( -6.434 -0.385 3.132) 7.166 9.832 ( -8.342 -1.358 -2.927) 8.944 10.191 ( 8.825 3.506 3.333) 10.064 10.346 ( 7.785 2.279 -3.240) 8.734 18.755 ( -0.336 -2.464 1.247) 2.782 18.825 ( -1.745 -0.288 -1.925) 2.614 18.909 ( 2.032 0.277 1.025) 2.293 18.935 ( 1.665 0.577 -0.338) 1.794 19.476 ( 0.266 -0.616 0.005) 0.671 19.497 ( 1.721 0.256 -1.299) 2.171 19.714 ( 6.001 1.842 5.550) 8.379 19.934 ( 9.632 3.801 -4.100) 11.137 20.796 ( -22.154 -1.359 1.380) 22.238 20.876 ( -21.526 -3.204 -2.016) 21.856 21.725 ( 9.416 0.624 0.713) 9.463 21.746 ( 9.335 -0.331 -0.197) 9.343 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -9.416 10.232 4.143) 14.509 1.258 ( -5.472 8.018 4.578) 10.733 1.381 ( -5.263 5.053 -8.084) 10.890 1.481 ( -4.342 7.280 -5.351) 10.024 1.621 ( -0.191 0.727 0.770) 1.076 1.646 ( -0.240 3.197 2.207) 3.892 1.711 ( -1.590 5.176 1.185) 5.543 1.790 ( -4.789 -0.159 -0.358) 4.805 1.818 ( -5.023 -0.985 -0.884) 5.195 1.867 ( -3.033 2.771 0.522) 4.141 1.922 ( -3.200 -2.337 0.424) 3.985 1.974 ( 0.483 -0.206 1.697) 1.777 2.004 ( -1.879 1.877 1.139) 2.890 2.111 ( -3.390 0.962 -0.364) 3.543 2.182 ( 2.292 -0.232 3.961) 4.582 2.224 ( 3.862 0.429 2.580) 4.665 2.276 ( -0.796 -3.579 -0.708) 3.735 2.299 ( 2.702 2.221 2.255) 4.162 2.376 ( 3.542 0.264 -1.119) 3.724 2.461 ( 5.725 0.033 -4.671) 7.389 2.515 ( -0.256 3.049 0.033) 3.060 2.615 ( 0.042 2.661 0.215) 2.670 2.669 ( -2.149 -1.860 -1.324) 3.135 2.787 ( -1.137 0.802 -3.418) 3.690 2.826 ( -3.102 2.465 -6.345) 7.481 2.948 ( 2.501 -1.333 -1.472) 3.194 3.013 ( -1.055 -2.858 2.337) 3.839 3.068 ( -1.839 -0.659 0.247) 1.969 3.132 ( -1.903 -3.507 1.257) 4.184 3.205 ( -2.381 -1.151 2.543) 3.669 3.360 ( 0.118 0.379 0.590) 0.711 3.435 ( 1.905 1.315 -1.561) 2.792 3.732 ( -20.933 -0.445 2.066) 21.040 3.779 ( -9.454 2.148 2.687) 10.061 3.880 ( -15.378 -1.196 -2.989) 15.712 3.936 ( -7.697 -2.596 -2.633) 8.539 4.204 ( -7.177 -4.135 3.696) 9.070 4.347 ( -4.964 -4.542 -2.347) 7.126 4.857 ( -14.452 -1.289 -1.501) 14.586 4.889 ( -10.894 -2.259 -2.148) 11.331 4.996 ( -9.993 -1.501 5.645) 11.575 5.126 ( -2.317 -1.805 1.118) 3.143 5.518 ( 3.160 -2.920 0.429) 4.324 5.579 ( 3.216 -1.849 -2.533) 4.492 5.719 ( 4.253 -0.060 4.878) 6.472 5.892 ( -1.256 3.382 1.037) 3.754 6.235 ( 3.772 1.726 -1.476) 4.403 6.627 ( -5.616 2.059 -15.762) 16.859 6.706 ( 10.094 1.562 3.477) 10.790 6.787 ( 7.067 1.043 6.911) 9.940 6.942 ( 0.783 1.191 -3.875) 4.129 7.328 ( -0.485 -4.763 -11.689) 12.632 7.594 ( -18.850 -3.050 14.617) 24.047 7.822 ( -9.228 -3.259 2.942) 10.219 7.979 ( -10.401 -7.007 6.464) 14.109 8.287 ( 2.977 -7.675 -4.670) 9.464 9.566 ( -6.475 -0.298 2.023) 6.790 9.671 ( -10.353 -1.442 -2.217) 10.685 10.294 ( 6.716 6.041 3.176) 9.575 10.465 ( 7.800 3.068 -4.044) 9.306 18.769 ( -0.723 -1.370 1.195) 1.956 18.804 ( -0.586 -3.069 -0.323) 3.141 18.966 ( 3.950 0.490 0.295) 3.991 18.991 ( 3.278 -1.698 -0.748) 3.767 19.481 ( 0.220 0.570 0.331) 0.695 19.514 ( 0.789 1.625 -1.383) 2.275 19.794 ( 4.915 3.472 6.307) 8.717 20.034 ( 4.340 7.083 -3.893) 9.173 20.396 ( -22.157 -1.743 1.862) 22.304 20.542 ( -16.858 -6.467 -4.573) 18.626 21.860 ( 6.341 -0.027 1.986) 6.645 21.925 ( 8.586 -1.649 -0.851) 8.784 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -6.126 11.155 10.310) 16.378 0.954 ( -15.812 11.590 5.719) 20.422 1.217 ( -13.178 8.944 -6.180) 17.084 1.277 ( -4.107 6.824 -10.949) 13.540 1.550 ( -6.388 13.572 4.845) 15.763 1.557 ( 0.021 10.094 4.540) 11.068 1.642 ( -1.449 3.119 6.336) 7.209 1.692 ( 0.924 6.473 1.274) 6.662 1.726 ( -2.114 -3.785 1.248) 4.511 1.818 ( -1.727 1.547 -4.682) 5.225 1.903 ( -2.231 -2.745 -2.044) 4.086 1.910 ( -3.638 -0.040 1.159) 3.818 1.969 ( -0.387 6.793 1.139) 6.899 2.101 ( 1.971 0.645 -4.436) 4.897 2.227 ( 1.643 -0.472 1.401) 2.210 2.300 ( 1.190 0.553 2.005) 2.397 2.309 ( 1.954 -4.014 0.525) 4.495 2.334 ( 0.880 -3.566 3.619) 5.156 2.447 ( 4.489 0.163 -0.414) 4.511 2.477 ( -1.604 4.473 -3.646) 5.990 2.492 ( -0.413 2.321 -3.562) 4.271 2.590 ( 1.799 0.814 -6.229) 6.534 2.669 ( -0.862 -0.781 -0.089) 1.166 2.708 ( -1.768 -0.642 -4.749) 5.108 2.887 ( 1.812 -4.567 -2.416) 5.475 2.959 ( -0.845 1.475 -1.357) 2.175 3.004 ( -1.646 0.558 0.266) 1.758 3.041 ( -1.633 -1.707 -1.116) 2.613 3.134 ( -1.569 -5.863 1.603) 6.277 3.176 ( -1.455 -0.715 5.384) 5.623 3.349 ( -10.666 -0.870 2.785) 11.058 3.381 ( -1.196 -0.590 2.154) 2.534 3.489 ( 0.863 -0.754 0.435) 1.226 3.584 ( -11.121 0.754 -5.018) 12.224 3.674 ( -3.585 2.313 4.367) 6.105 3.842 ( -3.693 -0.998 -3.066) 4.903 4.209 ( -0.253 -7.516 2.531) 7.935 4.350 ( -0.502 -4.628 -2.969) 5.521 4.616 ( -12.158 -1.314 0.877) 12.260 4.738 ( -7.340 -2.296 -3.306) 8.371 4.829 ( -8.378 -1.224 6.560) 10.710 5.084 ( -4.197 -1.572 -3.675) 5.795 5.614 ( 3.140 -4.330 -0.130) 5.350 5.657 ( 2.327 -2.368 -2.459) 4.132 5.808 ( 4.642 0.761 6.300) 7.863 5.828 ( 1.050 3.061 4.743) 5.742 6.309 ( -14.412 1.973 -13.633) 19.936 6.345 ( 1.537 1.168 -10.956) 11.125 6.816 ( 4.256 1.676 4.483) 6.405 6.881 ( 1.431 -0.401 7.885) 8.023 7.017 ( 3.901 0.319 -1.677) 4.258 7.306 ( -13.183 -7.545 21.006) 25.922 7.348 ( -2.856 -1.272 -13.334) 13.696 7.685 ( -9.888 -9.586 -2.270) 13.958 7.949 ( -0.872 -6.858 16.918) 18.276 8.473 ( 7.985 -8.847 -7.125) 13.885 9.464 ( -4.534 -0.276 0.392) 4.559 9.493 ( -9.471 -1.038 -0.756) 9.557 10.326 ( 3.471 7.925 3.864) 9.476 10.574 ( 6.646 3.124 -6.845) 10.038 18.767 ( 0.028 -1.217 3.246) 3.467 18.852 ( 0.451 -6.600 -0.741) 6.657 19.040 ( 4.155 0.191 0.222) 4.165 19.062 ( 2.215 -1.834 -0.690) 2.957 19.473 ( -0.114 1.406 0.361) 1.456 19.493 ( -1.271 1.781 -0.536) 2.253 19.812 ( 0.170 4.510 4.120) 6.111 19.905 ( -9.569 5.464 -0.775) 11.046 20.064 ( -12.686 0.536 4.540) 13.485 20.450 ( -0.198 -3.514 -11.600) 12.122 21.964 ( 4.143 -1.682 4.235) 6.158 22.082 ( 5.686 -3.486 -1.379) 6.811 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.000 13.044 8.465) 15.550 0.653 ( 0.000 11.103 14.977) 18.644 0.957 ( 0.000 8.744 -6.029) 10.621 1.170 ( 0.000 10.062 -9.947) 14.148 1.305 ( 0.000 22.727 7.495) 23.931 1.476 ( 0.000 10.331 4.039) 11.093 1.604 ( 0.000 2.489 9.487) 9.808 1.630 ( 0.000 9.385 -2.584) 9.735 1.749 ( 0.000 7.052 -3.297) 7.785 1.769 ( -0.000 -6.887 2.551) 7.344 1.839 ( 0.000 5.247 0.780) 5.304 1.918 ( 0.000 2.995 -1.111) 3.195 1.927 ( -0.000 -6.469 -4.531) 7.898 2.115 ( 0.000 0.425 -9.100) 9.110 2.244 ( -0.000 -0.107 0.682) 0.690 2.284 ( 0.000 3.486 4.171) 5.436 2.370 ( -0.000 -1.392 -5.868) 6.031 2.379 ( -0.000 -3.721 3.247) 4.938 2.417 ( -0.000 -0.720 -1.476) 1.642 2.499 ( -0.000 -2.027 -2.185) 2.981 2.547 ( -0.000 -2.211 -1.122) 2.480 2.572 ( 0.000 1.951 2.991) 3.571 2.668 ( -0.000 -2.248 -7.678) 8.001 2.679 ( 0.000 2.141 -1.541) 2.638 2.920 ( 0.000 2.032 1.605) 2.589 2.934 ( -0.000 -1.554 -2.214) 2.705 3.007 ( -0.000 -1.195 -5.551) 5.678 3.015 ( -0.000 -0.074 -2.648) 2.649 3.170 ( -0.000 -1.088 4.423) 4.555 3.183 ( -0.000 -6.955 4.223) 8.137 3.237 ( -0.000 -1.206 4.259) 4.426 3.398 ( 0.000 0.423 1.358) 1.423 3.452 ( 0.000 0.962 -4.743) 4.840 3.553 ( -0.000 -4.288 2.140) 4.793 3.629 ( 0.000 2.516 4.724) 5.352 3.812 ( 0.000 0.763 -3.352) 3.437 4.287 ( -0.000 -7.346 -0.292) 7.352 4.387 ( -0.000 -3.697 -3.150) 4.857 4.489 ( -0.000 -0.604 2.990) 3.050 4.684 ( -0.000 -1.989 -4.272) 4.712 4.754 ( -0.000 -0.991 5.809) 5.893 5.029 ( -0.000 -0.062 -7.458) 7.459 5.673 ( 0.000 0.444 -0.811) 0.924 5.693 ( -0.000 -4.170 -1.179) 4.334 5.829 ( -0.000 -1.762 2.871) 3.369 5.951 ( 0.000 0.423 10.398) 10.407 5.991 ( 0.000 5.019 -7.855) 9.321 6.399 ( 0.000 0.568 -10.743) 10.758 6.859 ( -0.000 -0.298 6.650) 6.656 6.869 ( 0.000 1.172 7.886) 7.973 7.049 ( -0.000 -0.140 -2.738) 2.742 7.197 ( -0.000 -2.413 16.680) 16.854 7.369 ( -0.000 -7.814 -5.618) 9.624 7.692 ( -0.000 -13.374 -2.733) 13.651 8.013 ( -0.000 -7.763 21.685) 23.033 8.655 ( -0.000 -9.928 -8.304) 12.943 9.389 ( -0.000 -0.203 0.724) 0.752 9.424 ( -0.000 -0.153 -0.729) 0.744 10.282 ( 0.000 8.953 4.442) 9.994 10.618 ( 0.000 3.905 -10.969) 11.643 18.796 ( -0.000 -3.991 6.387) 7.532 18.928 ( -0.000 -8.852 -0.902) 8.898 19.086 ( -0.000 -0.047 0.033) 0.057 19.088 ( -0.000 -0.019 -0.031) 0.037 19.456 ( 0.000 1.477 0.277) 1.502 19.461 ( 0.000 1.008 0.295) 1.051 19.739 ( 0.000 4.181 0.365) 4.197 19.756 ( 0.000 4.693 0.195) 4.697 19.938 ( 0.000 4.166 7.853) 8.890 20.474 ( 0.000 1.088 -17.039) 17.074 22.033 ( -0.000 -4.045 6.658) 7.791 22.176 ( -0.000 -4.549 -1.281) 4.726 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.136 -0.000 5.615) 5.617 1.484 ( -7.918 -0.000 2.324) 8.252 1.524 ( -3.029 -0.000 -4.171) 5.155 1.584 ( -2.782 -0.000 -1.028) 2.966 1.644 ( 2.979 0.000 0.776) 3.078 1.663 ( -2.846 -0.000 -0.232) 2.855 1.820 ( 0.419 0.000 1.358) 1.421 1.830 ( 4.291 0.000 1.154) 4.444 1.836 ( 1.613 0.000 -1.737) 2.371 1.867 ( 0.709 0.000 -1.404) 1.573 1.949 ( 2.812 0.000 1.128) 3.030 1.978 ( -2.518 -0.000 -6.031) 6.535 2.004 ( -5.302 -0.000 0.650) 5.342 2.167 ( 1.796 0.000 -1.387) 2.269 2.174 ( 0.566 0.000 -0.451) 0.724 2.197 ( -3.904 -0.000 -4.606) 6.038 2.215 ( 4.673 0.000 -1.315) 4.854 2.243 ( 3.641 0.000 -0.822) 3.733 2.296 ( -1.195 -0.000 -1.770) 2.136 2.430 ( 4.702 0.000 -3.385) 5.794 2.557 ( 0.740 0.000 4.833) 4.890 2.644 ( -1.174 -0.000 6.595) 6.698 2.694 ( 1.530 0.000 -1.025) 1.841 2.730 ( 2.707 0.000 8.887) 9.291 2.864 ( -5.555 -0.000 9.248) 10.788 2.993 ( 2.537 0.000 -4.752) 5.387 3.022 ( 1.216 0.000 -2.610) 2.880 3.067 ( -2.873 -0.000 -2.381) 3.732 3.173 ( -3.158 -0.000 -2.665) 4.132 3.217 ( -4.361 -0.000 -1.298) 4.550 3.383 ( -0.320 -0.000 -0.381) 0.498 3.435 ( 1.116 0.000 -1.532) 1.896 3.949 ( -3.950 -0.000 -0.158) 3.953 3.962 ( -5.326 -0.000 -1.476) 5.526 4.010 ( -10.008 -0.000 2.077) 10.221 4.083 ( -10.427 -0.000 -0.652) 10.447 4.471 ( -20.077 -0.000 2.109) 20.187 4.545 ( -22.840 -0.000 -1.045) 22.864 5.048 ( -8.952 -0.000 -0.561) 8.970 5.092 ( -7.980 -0.000 -0.807) 8.021 5.138 ( -4.060 -0.000 2.720) 4.887 5.173 ( -15.014 -0.000 -0.519) 15.023 5.442 ( 1.347 0.000 0.386) 1.402 5.517 ( 1.069 0.000 -3.065) 3.246 5.641 ( 3.833 0.000 2.788) 4.740 5.855 ( 7.689 0.000 -7.973) 11.076 6.296 ( -1.174 -0.000 7.476) 7.568 6.439 ( 18.796 0.000 -1.496) 18.856 6.476 ( 12.139 0.000 10.932) 16.336 6.683 ( 8.505 0.000 11.401) 14.224 7.142 ( -7.205 -0.000 -20.209) 21.455 7.256 ( -1.649 -0.000 -13.655) 13.754 7.912 ( -14.966 -0.000 11.811) 19.065 7.986 ( -11.222 -0.000 5.318) 12.418 8.122 ( -13.638 -0.000 -1.418) 13.711 8.159 ( -3.909 -0.000 -2.428) 4.602 9.681 ( -6.270 -0.000 2.850) 6.887 9.819 ( -8.146 -0.000 -2.764) 8.602 10.224 ( 9.355 0.000 3.073) 9.846 10.366 ( 7.724 0.000 -2.968) 8.275 18.732 ( -0.452 -0.000 1.473) 1.540 18.821 ( -1.176 -0.000 -2.751) 2.992 18.913 ( 1.010 0.000 1.530) 1.834 18.943 ( 1.151 0.000 -0.268) 1.181 19.470 ( 0.954 0.000 0.119) 0.961 19.500 ( 2.416 0.000 -1.750) 2.983 19.730 ( 6.291 0.000 6.110) 8.770 19.968 ( 10.265 0.000 -4.438) 11.184 20.784 ( -22.257 -0.000 1.092) 22.284 20.847 ( -22.439 -0.000 -1.554) 22.493 21.733 ( 10.344 0.000 0.406) 10.352 21.741 ( 7.769 0.000 0.060) 7.769 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -8.099 4.703 1.043) 9.424 1.373 ( -1.730 5.315 6.639) 8.678 1.450 ( -3.986 2.070 -6.052) 7.537 1.556 ( -1.852 -3.305 -0.930) 3.901 1.605 ( -3.302 2.971 -0.130) 4.444 1.702 ( 2.640 2.034 -1.498) 3.654 1.783 ( -9.631 0.525 1.533) 9.767 1.816 ( -1.330 1.621 1.190) 2.411 1.854 ( -3.220 1.878 0.430) 3.752 1.867 ( -0.211 3.002 -1.425) 3.330 1.884 ( -3.580 -0.655 -0.640) 3.695 1.939 ( 2.193 -0.999 -4.205) 4.846 2.035 ( 0.721 -3.111 -1.245) 3.427 2.079 ( -0.292 -3.327 4.608) 5.692 2.126 ( -4.022 -0.234 -1.696) 4.371 2.210 ( 1.859 -1.716 3.783) 4.551 2.286 ( 2.297 1.822 -0.086) 2.933 2.318 ( 3.432 -1.223 -3.384) 4.972 2.405 ( 6.127 1.911 -2.049) 6.737 2.493 ( 4.071 1.959 -1.759) 4.848 2.556 ( -0.895 3.020 2.543) 4.049 2.618 ( 0.321 -2.850 2.787) 3.999 2.683 ( -1.626 2.711 -0.288) 3.174 2.763 ( 2.207 0.507 6.057) 6.466 2.863 ( 1.316 -4.550 5.850) 7.528 2.953 ( -6.836 4.855 -8.461) 11.912 3.010 ( -0.648 1.282 -3.430) 3.719 3.042 ( -0.143 -1.894 -0.668) 2.013 3.106 ( -2.541 0.646 -0.925) 2.780 3.164 ( -3.164 -3.346 -1.892) 4.979 3.371 ( -0.519 0.505 2.758) 2.852 3.459 ( 1.631 0.980 -1.754) 2.588 3.720 ( -21.328 -0.472 2.808) 21.518 3.819 ( -8.439 2.039 0.691) 8.709 3.846 ( -11.799 -1.914 -1.689) 12.072 3.885 ( -8.401 -2.473 -2.648) 9.149 4.160 ( -11.661 -0.897 3.562) 12.226 4.278 ( -6.170 -2.500 -1.740) 6.881 4.837 ( -15.466 -0.726 -1.294) 15.537 4.863 ( -10.194 -0.670 -2.537) 10.527 4.978 ( -9.863 -0.540 5.218) 11.171 5.102 ( -1.989 -0.798 0.322) 2.167 5.481 ( 2.367 -1.157 0.417) 2.667 5.555 ( 2.484 -0.695 -2.966) 3.931 5.715 ( 4.424 -0.184 5.737) 7.247 5.930 ( -0.046 0.993 -0.628) 1.176 6.261 ( 2.071 0.883 0.588) 2.327 6.650 ( -2.830 0.627 -13.395) 13.705 6.713 ( 10.069 -0.185 6.283) 11.870 6.817 ( 6.411 1.492 7.718) 10.144 6.953 ( -3.852 0.064 -8.137) 9.003 7.264 ( -1.427 -2.056 -10.065) 10.372 7.594 ( -16.335 1.231 13.035) 20.935 7.812 ( -11.392 1.743 2.032) 11.703 7.872 ( -10.007 -4.752 5.309) 12.284 8.170 ( 3.008 -4.345 -4.562) 6.982 9.563 ( -6.350 -0.061 1.612) 6.552 9.652 ( -10.096 -0.595 -1.941) 10.298 10.372 ( 7.583 2.446 2.268) 8.284 10.495 ( 6.644 0.640 -2.920) 7.286 18.732 ( -0.234 -1.434 1.167) 1.864 18.786 ( -1.894 -0.195 -1.063) 2.180 18.966 ( 3.844 -0.214 0.412) 3.872 18.984 ( 3.230 0.238 -0.344) 3.256 19.489 ( 1.004 0.251 0.461) 1.133 19.535 ( 1.218 0.629 -2.037) 2.455 19.835 ( 5.159 1.120 7.510) 9.180 20.137 ( 8.075 3.872 -5.526) 10.523 20.374 ( -21.751 -0.659 0.899) 21.780 20.443 ( -20.583 -3.850 -2.068) 21.042 21.863 ( 5.630 0.178 1.202) 5.760 21.902 ( 7.758 -0.768 -0.504) 7.812 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -5.586 9.108 5.696) 12.108 1.153 ( -14.064 10.512 5.535) 18.410 1.368 ( -14.120 6.864 -3.096) 16.002 1.382 ( -1.887 4.922 -9.512) 10.875 1.574 ( -1.293 -6.109 1.096) 6.340 1.643 ( -2.689 -0.729 7.888) 8.366 1.717 ( 0.482 0.632 -0.901) 1.202 1.747 ( -0.334 4.525 1.575) 4.803 1.776 ( -0.869 4.479 -1.518) 4.809 1.847 ( -0.416 2.573 -1.868) 3.207 1.874 ( 0.212 2.603 -1.383) 2.955 1.974 ( -2.316 4.422 4.592) 6.782 2.032 ( 3.009 -2.029 -3.084) 4.763 2.103 ( 1.153 0.655 -3.068) 3.343 2.173 ( 1.264 -6.595 1.557) 6.893 2.256 ( 1.189 -2.201 4.477) 5.128 2.280 ( 0.466 2.443 4.425) 5.076 2.367 ( 1.740 1.247 -1.817) 2.808 2.457 ( 1.225 1.557 -2.109) 2.894 2.501 ( -3.072 0.826 -1.841) 3.675 2.532 ( 3.049 2.472 -2.190) 4.495 2.633 ( -1.083 1.931 -0.450) 2.259 2.682 ( 3.879 1.019 -1.076) 4.153 2.754 ( -4.743 6.406 -8.325) 11.525 2.817 ( 0.794 -2.402 1.144) 2.776 2.946 ( 1.119 -5.803 4.602) 7.490 2.982 ( -1.188 0.860 -0.708) 1.628 3.031 ( -1.556 -0.185 -2.020) 2.557 3.067 ( -2.350 -1.693 -0.913) 3.037 3.150 ( -1.207 -2.492 -1.007) 2.946 3.340 ( -12.859 -0.236 4.320) 13.567 3.369 ( -0.650 -0.362 4.723) 4.781 3.498 ( 0.757 1.346 -0.404) 1.596 3.593 ( -11.397 0.293 -5.634) 12.717 3.703 ( -3.888 1.104 2.339) 4.670 3.799 ( -4.149 -3.338 -2.189) 5.757 4.079 ( -2.311 -6.131 4.437) 7.913 4.266 ( -0.309 -4.232 -3.500) 5.500 4.592 ( -11.455 -1.165 1.061) 11.563 4.706 ( -7.221 -1.272 -3.322) 8.049 4.811 ( -8.005 -0.779 6.435) 10.300 5.063 ( -2.988 -0.790 -4.583) 5.528 5.546 ( 2.393 -2.938 0.265) 3.798 5.613 ( 2.157 -2.091 -3.112) 4.325 5.817 ( 6.550 0.219 7.472) 9.939 5.878 ( -1.793 2.198 4.343) 5.187 6.335 ( -7.553 1.242 -10.023) 12.611 6.360 ( -6.861 0.283 -11.123) 13.071 6.828 ( 2.970 -0.135 6.286) 6.953 6.897 ( 3.204 1.647 6.447) 7.385 7.013 ( 3.771 -0.453 -0.981) 3.922 7.208 ( -6.954 -3.641 4.487) 9.041 7.373 ( -4.867 2.615 -2.545) 6.083 7.566 ( -12.568 -3.762 -2.268) 13.313 7.849 ( 0.071 -4.193 14.431) 15.028 8.326 ( 7.086 -6.948 -7.206) 12.265 9.461 ( -4.511 -0.065 0.137) 4.514 9.477 ( -8.580 -0.658 -0.506) 8.620 10.445 ( 3.967 5.297 2.408) 7.042 10.599 ( 4.776 0.052 -4.077) 6.280 18.745 ( -0.257 -1.848 1.039) 2.135 18.769 ( -0.586 -2.065 -0.009) 2.147 19.042 ( 3.816 -0.274 0.007) 3.826 19.048 ( 3.487 0.089 -0.221) 3.495 19.496 ( 0.256 1.016 0.347) 1.104 19.519 ( -2.264 0.965 -0.746) 2.572 19.873 ( -0.368 2.358 5.222) 5.741 19.995 ( -13.129 3.838 -1.098) 13.722 20.079 ( -8.385 1.742 2.861) 9.029 20.368 ( 2.923 -5.091 -8.239) 10.117 21.946 ( 3.216 -0.553 2.473) 4.095 22.030 ( 4.625 -2.163 -1.219) 5.249 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 11.215 10.512) 15.371 0.864 ( 0.000 12.662 6.656) 14.305 1.117 ( 0.000 8.500 -4.037) 9.410 1.324 ( 0.000 7.176 -10.328) 12.576 1.608 ( -0.000 -3.132 1.462) 3.456 1.613 ( 0.000 6.873 8.253) 10.740 1.673 ( 0.000 7.647 2.033) 7.913 1.693 ( 0.000 5.977 3.868) 7.119 1.779 ( -0.000 -0.748 -4.641) 4.701 1.812 ( 0.000 1.289 -2.329) 2.662 1.838 ( 0.000 3.031 -4.726) 5.614 1.902 ( 0.000 4.291 5.942) 7.330 2.040 ( 0.000 7.872 -2.275) 8.194 2.118 ( -0.000 -1.624 -2.036) 2.604 2.235 ( -0.000 -5.685 1.789) 5.960 2.270 ( 0.000 1.693 1.628) 2.349 2.301 ( -0.000 -4.881 3.983) 6.300 2.357 ( 0.000 3.912 1.710) 4.269 2.456 ( -0.000 -2.685 -2.992) 4.020 2.481 ( -0.000 -0.694 -0.421) 0.812 2.543 ( 0.000 4.855 -5.056) 7.010 2.605 ( 0.000 1.591 2.728) 3.158 2.647 ( 0.000 1.957 -11.860) 12.021 2.714 ( 0.000 1.721 -1.897) 2.561 2.864 ( -0.000 -4.483 -0.274) 4.491 2.955 ( 0.000 1.712 0.962) 1.964 3.000 ( -0.000 -2.566 0.536) 2.621 3.014 ( -0.000 -0.031 -1.754) 1.754 3.066 ( -0.000 -4.342 -1.457) 4.580 3.155 ( -0.000 -0.890 1.394) 1.654 3.217 ( -0.000 -1.019 5.159) 5.259 3.388 ( -0.000 -1.225 3.883) 4.072 3.468 ( 0.000 0.760 -5.511) 5.564 3.511 ( -0.000 -0.348 1.261) 1.308 3.663 ( 0.000 1.104 3.252) 3.434 3.792 ( -0.000 -2.826 -2.597) 3.838 4.134 ( -0.000 -8.909 3.036) 9.412 4.308 ( -0.000 -4.776 -3.865) 6.144 4.479 ( -0.000 -0.507 2.762) 2.808 4.648 ( -0.000 -1.844 -3.587) 4.034 4.737 ( -0.000 -0.865 5.942) 6.004 5.028 ( -0.000 -0.054 -7.929) 7.929 5.604 ( -0.000 -4.348 -0.063) 4.349 5.657 ( -0.000 -2.636 -3.217) 4.160 5.834 ( 0.000 1.964 5.117) 5.480 5.958 ( 0.000 0.358 10.421) 10.427 6.054 ( 0.000 1.974 -7.859) 8.103 6.409 ( 0.000 0.463 -10.935) 10.945 6.854 ( -0.000 -0.246 6.860) 6.865 6.903 ( 0.000 2.398 7.330) 7.713 7.046 ( -0.000 -0.091 -2.760) 2.761 7.156 ( -0.000 -2.676 15.113) 15.348 7.322 ( 0.000 1.145 -12.899) 12.949 7.494 ( -0.000 -8.204 -2.535) 8.587 7.898 ( -0.000 -5.329 17.667) 18.454 8.481 ( -0.000 -9.143 -8.923) 12.776 9.386 ( -0.000 -0.185 0.743) 0.766 9.421 ( -0.000 -0.135 -0.749) 0.761 10.426 ( 0.000 7.032 3.334) 7.782 10.649 ( 0.000 0.158 -6.206) 6.208 18.754 ( -0.000 -1.374 2.213) 2.604 18.801 ( -0.000 -5.251 -0.172) 5.254 19.085 ( -0.000 -0.039 0.042) 0.057 19.087 ( -0.000 -0.019 -0.040) 0.044 19.474 ( 0.000 0.574 0.554) 0.798 19.485 ( 0.000 1.433 0.035) 1.433 19.817 ( 0.000 3.861 -0.172) 3.865 19.828 ( 0.000 3.690 -0.381) 3.709 20.002 ( 0.000 3.059 7.832) 8.408 20.443 ( -0.000 -3.581 -11.175) 11.735 21.986 ( -0.000 -1.564 3.774) 4.085 22.101 ( -0.000 -3.565 -1.495) 3.865 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -5.436 -0.000 3.087) 6.251 1.291 ( -12.747 -0.000 6.372) 14.251 1.380 ( -13.714 -0.000 2.093) 13.872 1.434 ( -1.348 -0.000 -10.255) 10.343 1.569 ( -3.394 -0.000 -3.036) 4.554 1.618 ( -3.100 -0.000 -5.501) 6.314 1.623 ( -1.814 -0.000 12.331) 12.464 1.840 ( 0.889 0.000 2.523) 2.675 1.848 ( -0.901 -0.000 -0.387) 0.981 1.874 ( 2.838 0.000 2.726) 3.935 1.921 ( 0.913 0.000 -1.741) 1.966 1.953 ( 1.580 0.000 -5.486) 5.709 2.059 ( -2.771 -0.000 3.120) 4.173 2.062 ( 3.602 0.000 -3.152) 4.787 2.120 ( 4.620 0.000 0.092) 4.621 2.237 ( 1.629 0.000 2.773) 3.216 2.295 ( -2.493 -0.000 0.866) 2.639 2.358 ( 1.950 0.000 -2.325) 3.034 2.492 ( -5.020 -0.000 -2.715) 5.707 2.501 ( 2.888 0.000 -4.079) 4.998 2.587 ( 2.995 0.000 3.139) 4.338 2.669 ( -1.341 -0.000 -0.387) 1.396 2.675 ( 5.032 0.000 -0.953) 5.122 2.790 ( -0.186 -0.000 5.134) 5.138 2.857 ( 1.083 0.000 6.500) 6.590 2.861 ( -5.152 -0.000 -7.454) 9.061 2.993 ( -1.287 -0.000 -0.647) 1.440 3.028 ( -0.921 -0.000 -0.641) 1.122 3.055 ( -3.093 -0.000 -3.805) 4.903 3.109 ( 0.061 0.000 -3.481) 3.482 3.338 ( -14.323 -0.000 4.926) 15.146 3.369 ( 0.214 0.000 5.520) 5.524 3.515 ( 1.141 0.000 -1.067) 1.562 3.595 ( -11.394 -0.000 -5.690) 12.736 3.718 ( -4.122 -0.000 0.914) 4.222 3.755 ( -4.507 -0.000 -1.246) 4.676 4.020 ( -3.646 -0.000 5.200) 6.351 4.224 ( -0.126 -0.000 -3.705) 3.707 4.581 ( -11.003 -0.000 1.214) 11.070 4.694 ( -7.310 -0.000 -3.287) 8.015 4.803 ( -7.870 -0.000 6.391) 10.138 5.056 ( -2.495 -0.000 -4.909) 5.507 5.518 ( 2.097 0.000 0.340) 2.125 5.593 ( 1.796 0.000 -3.315) 3.770 5.818 ( 7.228 0.000 7.712) 10.570 5.898 ( -2.348 -0.000 4.039) 4.672 6.353 ( 5.742 0.000 -8.484) 10.244 6.356 ( -20.962 -0.000 -11.229) 23.780 6.825 ( 3.002 0.000 7.005) 7.622 6.915 ( 3.442 0.000 5.676) 6.638 7.008 ( 4.008 0.000 -0.807) 4.089 7.174 ( -6.055 -0.000 0.673) 6.093 7.403 ( -5.220 -0.000 -0.524) 5.247 7.536 ( -13.567 -0.000 -1.555) 13.656 7.811 ( 0.572 0.000 12.778) 12.791 8.258 ( 7.031 0.000 -6.959) 9.893 9.461 ( -4.302 -0.000 0.004) 4.302 9.471 ( -8.459 -0.000 -0.354) 8.466 10.498 ( 4.519 0.000 1.312) 4.705 10.593 ( 3.743 0.000 -2.656) 4.589 18.722 ( -0.113 -0.000 0.969) 0.975 18.758 ( -0.995 -0.000 -0.433) 1.085 19.039 ( 3.955 0.000 0.182) 3.959 19.050 ( 3.394 0.000 -0.234) 3.402 19.505 ( 0.411 0.000 0.299) 0.508 19.527 ( -2.714 -0.000 -0.767) 2.821 19.894 ( -0.196 -0.000 6.221) 6.224 20.023 ( -14.450 -0.000 -0.227) 14.451 20.114 ( -9.275 -0.000 0.326) 9.281 20.308 ( 6.161 0.000 -6.901) 9.251 21.941 ( 2.921 0.000 1.865) 3.466 22.010 ( 4.276 0.000 -1.064) 4.406 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 5.241 5.991) 7.960 1.067 ( 0.000 9.252 5.607) 10.819 1.210 ( 0.000 0.341 0.229) 0.411 1.416 ( 0.000 3.013 -9.715) 10.172 1.540 ( -0.000 -0.072 -1.686) 1.687 1.623 ( -0.000 -1.796 12.900) 13.024 1.647 ( -0.000 -7.430 -5.049) 8.984 1.806 ( 0.000 5.470 -0.681) 5.513 1.825 ( 0.000 5.143 2.931) 5.920 1.889 ( 0.000 2.958 -0.066) 2.959 1.916 ( 0.000 3.756 -1.336) 3.987 1.979 ( 0.000 0.220 -0.649) 0.685 2.031 ( -0.000 -1.807 2.034) 2.721 2.125 ( -0.000 -2.628 -4.662) 5.352 2.194 ( 0.000 4.379 -1.802) 4.736 2.222 ( -0.000 -3.173 4.664) 5.641 2.283 ( -0.000 -3.043 1.376) 3.340 2.389 ( 0.000 0.234 0.199) 0.307 2.414 ( -0.000 -1.564 -3.903) 4.205 2.516 ( 0.000 2.643 -3.896) 4.709 2.610 ( 0.000 5.367 -1.717) 5.635 2.625 ( 0.000 0.592 2.618) 2.684 2.736 ( 0.000 0.646 -2.122) 2.219 2.766 ( 0.000 7.542 -6.968) 10.268 2.795 ( -0.000 -3.589 4.129) 5.471 2.906 ( -0.000 -5.682 5.961) 8.235 2.977 ( 0.000 0.676 0.447) 0.810 3.014 ( -0.000 -0.008 -1.020) 1.020 3.029 ( -0.000 -1.076 -4.888) 5.005 3.130 ( -0.000 -1.663 -3.190) 3.597 3.204 ( -0.000 -0.404 5.753) 5.767 3.375 ( -0.000 -0.138 6.031) 6.032 3.478 ( 0.000 0.286 -5.961) 5.968 3.525 ( 0.000 1.170 -0.671) 1.348 3.676 ( 0.000 0.727 1.320) 1.507 3.730 ( -0.000 -3.197 -1.379) 3.482 4.009 ( -0.000 -4.133 5.173) 6.621 4.239 ( -0.000 -2.379 -4.461) 5.056 4.472 ( -0.000 -0.188 2.556) 2.563 4.624 ( -0.000 -0.758 -3.141) 3.231 4.726 ( -0.000 -0.340 6.049) 6.058 5.027 ( -0.000 -0.023 -8.200) 8.200 5.548 ( -0.000 -1.725 0.137) 1.731 5.617 ( -0.000 -1.363 -3.485) 3.742 5.869 ( 0.000 1.384 4.546) 4.752 5.963 ( 0.000 0.138 10.429) 10.430 6.068 ( 0.000 0.007 -6.667) 6.667 6.414 ( 0.000 0.173 -11.055) 11.057 6.851 ( -0.000 -0.092 7.001) 7.002 6.941 ( 0.000 1.397 5.585) 5.757 7.045 ( -0.000 -0.027 -2.778) 2.778 7.112 ( -0.000 -1.673 6.956) 7.154 7.357 ( 0.000 1.574 -7.108) 7.280 7.406 ( -0.000 -2.127 -1.457) 2.578 7.832 ( -0.000 -1.960 14.903) 15.032 8.356 ( -0.000 -4.129 -8.495) 9.446 9.383 ( -0.000 -0.075 0.756) 0.760 9.420 ( -0.000 -0.054 -0.764) 0.766 10.524 ( 0.000 3.594 1.448) 3.875 10.635 ( -0.000 -1.232 -3.224) 3.451 18.728 ( -0.000 -1.424 0.868) 1.668 18.751 ( -0.000 -0.657 -0.031) 0.658 19.085 ( -0.000 -0.015 0.047) 0.049 19.087 ( -0.000 -0.008 -0.045) 0.045 19.480 ( 0.000 0.152 0.862) 0.875 19.504 ( 0.000 0.620 -0.225) 0.659 19.864 ( 0.000 1.574 0.736) 1.738 19.878 ( 0.000 1.338 -0.144) 1.345 20.048 ( 0.000 1.815 5.310) 5.612 20.380 ( -0.000 -2.568 -8.002) 8.404 21.970 ( -0.000 -0.389 2.349) 2.381 22.056 ( -0.000 -1.351 -1.342) 1.905 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 0.000 -12.534) 12.534 0.574 ( 0.000 0.000 12.534) 12.534 0.656 ( 0.000 0.000 -18.663) 18.663 0.656 ( 0.000 0.000 18.663) 18.663 1.266 ( 0.000 0.000 -27.727) 27.727 1.266 ( 0.000 0.000 27.727) 27.727 1.355 ( 0.000 0.000 -4.944) 4.944 1.355 ( 0.000 0.000 4.944) 4.944 1.638 ( 0.000 0.000 -5.370) 5.370 1.638 ( 0.000 0.000 5.370) 5.370 1.971 ( 0.000 0.000 -4.052) 4.052 1.971 ( 0.000 0.000 4.052) 4.052 1.990 ( 0.000 0.000 -5.801) 5.801 1.990 ( 0.000 0.000 5.801) 5.801 2.251 ( 0.000 0.000 -0.745) 0.745 2.251 ( 0.000 0.000 0.745) 0.745 2.315 ( 0.000 0.000 -5.482) 5.482 2.315 ( 0.000 0.000 5.482) 5.482 2.487 ( 0.000 0.000 -2.756) 2.756 2.487 ( 0.000 0.000 2.756) 2.756 2.599 ( 0.000 0.000 -2.725) 2.725 2.599 ( 0.000 0.000 2.725) 2.725 2.606 ( 0.000 0.000 -0.801) 0.801 2.606 ( 0.000 0.000 0.801) 0.801 2.939 ( 0.000 0.000 -4.217) 4.217 2.939 ( 0.000 0.000 4.217) 4.217 3.031 ( 0.000 0.000 -1.358) 1.358 3.031 ( 0.000 0.000 1.358) 1.358 3.284 ( 0.000 0.000 -5.347) 5.347 3.284 ( 0.000 0.000 5.347) 5.347 3.343 ( 0.000 0.000 -4.989) 4.989 3.343 ( 0.000 0.000 4.989) 4.989 3.573 ( 0.000 0.000 -12.105) 12.105 3.573 ( 0.000 0.000 12.105) 12.105 3.631 ( 0.000 0.000 -4.767) 4.767 3.631 ( 0.000 0.000 4.767) 4.767 4.389 ( 0.000 0.000 -3.005) 3.005 4.389 ( 0.000 0.000 3.005) 3.005 4.602 ( 0.000 0.000 -6.938) 6.938 4.602 ( 0.000 0.000 6.938) 6.938 4.898 ( 0.000 0.000 -6.991) 6.991 4.898 ( 0.000 0.000 6.991) 6.991 5.656 ( 0.000 0.000 -2.042) 2.042 5.656 ( 0.000 0.000 2.042) 2.042 5.898 ( 0.000 0.000 -1.076) 1.076 5.898 ( 0.000 0.000 1.076) 1.076 6.165 ( 0.000 0.000 -12.521) 12.521 6.165 ( 0.000 0.000 12.521) 12.521 6.977 ( 0.000 0.000 -5.155) 5.155 6.977 ( 0.000 0.000 5.155) 5.155 7.029 ( 0.000 0.000 -11.598) 11.598 7.029 ( 0.000 0.000 11.598) 11.598 7.983 ( 0.000 0.000 -4.106) 4.106 7.983 ( 0.000 0.000 4.106) 4.106 8.859 ( 0.000 0.000 -1.776) 1.776 8.859 ( 0.000 0.000 1.776) 1.776 9.410 ( 0.000 0.000 -0.998) 0.998 9.410 ( 0.000 0.000 0.998) 0.998 10.081 ( 0.000 0.000 -2.084) 2.084 10.081 ( 0.000 0.000 2.084) 2.084 19.087 ( 0.000 0.000 -0.021) 0.021 19.087 ( 0.000 0.000 0.021) 0.021 19.216 ( 0.000 0.000 -0.622) 0.622 19.216 ( 0.000 0.000 0.622) 0.622 19.457 ( 0.000 0.000 -1.790) 1.790 19.457 ( 0.000 0.000 1.790) 1.790 19.609 ( 0.000 0.000 -2.080) 2.080 19.609 ( 0.000 0.000 2.080) 2.080 19.925 ( 0.000 0.000 -0.410) 0.410 19.925 ( 0.000 0.000 0.410) 0.410 22.286 ( 0.000 0.000 -0.236) 0.236 22.286 ( 0.000 0.000 0.236) 0.236 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 8.363 -3.915 -14.575) 17.254 0.743 ( 8.363 -3.915 14.575) 17.254 0.860 ( 18.109 -2.550 -9.666) 20.685 0.860 ( 18.109 -2.550 9.666) 20.685 1.337 ( 7.677 -5.169 -19.516) 21.600 1.337 ( 7.677 -5.169 19.516) 21.600 1.429 ( 5.010 -3.080 -1.914) 6.185 1.429 ( 5.010 -3.080 1.914) 6.185 1.695 ( 5.084 -2.579 -6.672) 8.776 1.695 ( 5.084 -2.579 6.672) 8.776 1.948 ( -1.757 2.485 -4.521) 5.449 1.948 ( -1.757 2.485 4.521) 5.449 1.994 ( 1.363 1.805 -2.179) 3.141 1.994 ( 1.363 1.805 2.179) 3.141 2.255 ( -0.962 -1.636 -1.252) 2.274 2.255 ( -0.962 -1.636 1.252) 2.274 2.318 ( 0.278 -0.368 -4.871) 4.893 2.318 ( 0.278 -0.368 4.871) 4.893 2.434 ( -4.301 0.294 -2.792) 5.136 2.434 ( -4.301 0.294 2.792) 5.136 2.531 ( -4.028 0.672 -2.264) 4.670 2.531 ( -4.028 0.672 2.264) 4.670 2.695 ( 4.761 -0.147 -1.397) 4.964 2.695 ( 4.761 -0.147 1.397) 4.964 2.915 ( -2.054 0.153 -3.001) 3.640 2.915 ( -2.054 0.153 3.001) 3.640 3.089 ( 5.898 1.498 -2.353) 6.524 3.089 ( 5.898 1.498 2.353) 6.524 3.286 ( 0.557 0.609 -4.579) 4.652 3.286 ( 0.557 0.609 4.579) 4.652 3.440 ( 4.883 0.364 -2.040) 5.305 3.440 ( 4.883 0.364 2.040) 5.305 3.506 ( 1.280 1.035 -5.839) 6.067 3.506 ( 1.280 1.035 5.839) 6.067 3.684 ( 4.553 -2.315 -5.708) 7.660 3.684 ( 4.553 -2.315 5.708) 7.660 4.389 ( 0.510 0.752 -2.841) 2.983 4.389 ( 0.510 0.752 2.841) 2.983 4.729 ( 11.188 0.870 -5.580) 12.533 4.729 ( 11.188 0.870 5.580) 12.533 5.029 ( 12.029 0.926 -9.634) 15.440 5.029 ( 12.029 0.926 9.634) 15.440 5.653 ( -0.735 -1.246 -1.912) 2.398 5.653 ( -0.735 -1.246 1.912) 2.398 5.830 ( -5.862 0.188 -0.718) 5.908 5.830 ( -5.862 0.188 0.718) 5.908 6.142 ( -1.733 -0.601 -7.766) 7.979 6.142 ( -1.733 -0.601 7.766) 7.979 6.867 ( -7.462 -0.405 -6.172) 9.693 6.867 ( -7.462 -0.405 6.172) 9.693 7.147 ( 6.464 0.536 -12.060) 13.694 7.147 ( 6.464 0.536 12.060) 13.694 8.007 ( 5.480 6.081 -4.681) 9.430 8.007 ( 5.480 6.081 4.681) 9.430 8.672 ( -9.532 9.824 -4.711) 14.476 8.672 ( -9.532 9.824 4.711) 14.476 9.521 ( 9.061 1.647 -1.031) 9.267 9.521 ( 9.061 1.647 1.031) 9.267 10.108 ( -1.999 -8.166 -4.161) 9.381 10.108 ( -1.999 -8.166 4.161) 9.381 18.942 ( -7.948 0.696 -4.380) 9.102 18.942 ( -7.948 0.696 4.380) 9.102 19.235 ( 1.115 7.703 -2.832) 8.283 19.235 ( 1.115 7.703 2.832) 8.283 19.453 ( 0.345 1.012 -1.236) 1.634 19.453 ( 0.345 1.012 1.236) 1.634 19.640 ( -1.796 -7.865 -2.810) 8.543 19.640 ( -1.796 -7.865 2.810) 8.543 20.160 ( 20.551 -1.671 -6.802) 21.712 20.160 ( 20.551 -1.671 6.802) 21.712 22.169 ( -9.811 2.264 -2.162) 10.298 22.169 ( -9.811 2.264 2.162) 10.298 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 10.292 -3.665 -12.850) 16.867 0.957 ( 10.292 -3.665 12.850) 16.867 1.130 ( 9.955 -3.493 -11.883) 15.891 1.130 ( 9.955 -3.493 11.883) 15.891 1.531 ( 4.291 -3.130 -1.598) 5.546 1.531 ( 4.291 -3.130 1.598) 5.546 1.649 ( 13.749 -6.390 -6.628) 16.547 1.649 ( 13.749 -6.390 6.628) 16.547 1.846 ( 2.784 -0.548 -6.518) 7.108 1.846 ( 2.784 -0.548 6.518) 7.108 1.920 ( 6.405 -1.550 -6.401) 9.187 1.920 ( 6.405 -1.550 6.401) 9.187 1.984 ( -0.144 1.752 -0.463) 1.818 1.984 ( -0.144 1.752 0.463) 1.818 2.217 ( -4.739 -1.089 -1.001) 4.965 2.217 ( -4.739 -1.089 1.001) 4.965 2.300 ( -3.183 -0.263 -6.098) 6.884 2.300 ( -3.183 -0.263 6.098) 6.884 2.399 ( -0.524 -1.466 -1.484) 2.151 2.399 ( -0.524 -1.466 1.484) 2.151 2.441 ( -2.849 1.148 -4.486) 5.436 2.441 ( -2.849 1.148 4.486) 5.436 2.737 ( -0.077 1.995 -1.833) 2.710 2.737 ( -0.077 1.995 1.833) 2.710 2.877 ( -1.482 0.082 -0.648) 1.620 2.877 ( -1.482 0.082 0.648) 1.620 3.174 ( 4.610 2.694 -0.969) 5.427 3.174 ( 4.610 2.694 0.969) 5.427 3.293 ( 1.096 1.569 -2.763) 3.361 3.293 ( 1.096 1.569 2.763) 3.361 3.369 ( -3.856 0.325 -4.360) 5.830 3.369 ( -3.856 0.325 4.360) 5.830 3.742 ( 12.015 -1.738 -4.579) 12.975 3.742 ( 12.015 -1.738 4.579) 12.975 3.876 ( 17.173 -0.723 -4.681) 17.814 3.876 ( 17.173 -0.723 4.681) 17.814 4.403 ( 2.783 1.691 -3.021) 4.442 4.403 ( 2.783 1.691 3.021) 4.442 4.938 ( 12.299 1.866 -2.315) 12.653 4.938 ( 12.299 1.866 2.315) 12.653 5.199 ( 6.887 2.912 -4.508) 8.731 5.199 ( 6.887 2.912 4.508) 8.731 5.627 ( -3.152 1.503 -1.050) 3.646 5.627 ( -3.152 1.503 1.050) 3.646 5.744 ( -4.078 -3.114 -1.766) 5.426 5.744 ( -4.078 -3.114 1.766) 5.426 6.181 ( 5.717 -3.239 -8.090) 10.422 6.181 ( 5.717 -3.239 8.090) 10.422 6.690 ( -13.304 -1.423 -4.149) 14.008 6.690 ( -13.304 -1.423 4.149) 14.008 7.203 ( 0.618 2.437 -15.356) 15.560 7.203 ( 0.618 2.437 15.356) 15.560 8.073 ( 7.822 7.179 -4.789) 11.647 8.073 ( 7.822 7.179 4.789) 11.647 8.463 ( -2.972 9.324 -4.941) 10.963 8.463 ( -2.972 9.324 4.941) 10.963 9.668 ( 8.674 1.786 -4.016) 9.724 9.668 ( 8.674 1.786 4.016) 9.724 10.124 ( -4.252 -7.894 -5.078) 10.304 10.124 ( -4.252 -7.894 5.078) 10.304 18.838 ( -3.409 -0.152 -3.685) 5.022 18.838 ( -3.409 -0.152 3.685) 5.022 19.138 ( -2.740 8.488 -2.956) 9.396 19.138 ( -2.740 8.488 2.956) 9.396 19.464 ( 1.112 -0.231 -0.894) 1.445 19.464 ( 1.112 -0.231 0.894) 1.445 19.658 ( -4.613 -9.280 -3.659) 10.990 19.658 ( -4.613 -9.280 3.659) 10.990 20.571 ( 22.809 2.156 -7.790) 24.199 20.571 ( 22.809 2.156 7.790) 24.199 21.950 ( -11.406 1.339 -2.815) 11.825 21.950 ( -11.406 1.339 2.815) 11.825 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.236 -2.045 -8.986) 12.359 1.157 ( 8.236 -2.045 8.986) 12.359 1.352 ( 10.610 -4.235 -5.969) 12.890 1.352 ( 10.610 -4.235 5.969) 12.890 1.623 ( 3.685 -2.044 -1.671) 4.533 1.623 ( 3.685 -2.044 1.671) 4.533 1.792 ( -0.670 4.058 -2.659) 4.898 1.792 ( -0.670 4.058 2.659) 4.898 1.859 ( 2.515 -3.170 -1.749) 4.409 1.859 ( 2.515 -3.170 1.749) 4.409 1.953 ( -0.866 -0.107 -5.104) 5.178 1.953 ( -0.866 -0.107 5.104) 5.178 2.075 ( -4.057 -0.820 -1.199) 4.309 2.075 ( -4.057 -0.820 1.199) 4.309 2.196 ( -2.020 -1.088 -5.764) 6.204 2.196 ( -2.020 -1.088 5.764) 6.204 2.247 ( 2.063 -2.532 -4.707) 5.729 2.247 ( 2.063 -2.532 4.707) 5.729 2.387 ( 3.667 -2.714 -2.328) 5.122 2.387 ( 3.667 -2.714 2.328) 5.122 2.485 ( 4.367 -1.485 -3.869) 6.020 2.485 ( 4.367 -1.485 3.869) 6.020 2.672 ( -3.495 1.618 -0.575) 3.894 2.672 ( -3.495 1.618 0.575) 3.894 2.862 ( -0.272 0.507 -2.809) 2.868 2.862 ( -0.272 0.507 2.809) 2.868 3.194 ( 0.210 4.098 -2.108) 4.613 3.194 ( 0.210 4.098 2.108) 4.613 3.291 ( 0.425 1.859 -2.481) 3.130 3.291 ( 0.425 1.859 2.481) 3.130 3.321 ( -1.560 -0.320 -1.427) 2.138 3.321 ( -1.560 -0.320 1.427) 2.138 3.939 ( 8.078 -3.165 -6.389) 10.774 3.939 ( 8.078 -3.165 6.389) 10.774 4.172 ( 9.162 2.599 -2.093) 9.751 4.172 ( 9.162 2.599 2.093) 9.751 4.541 ( 16.529 0.807 -3.089) 16.835 4.541 ( 16.529 0.807 3.089) 16.835 5.116 ( 7.189 1.445 -0.920) 7.391 5.116 ( 7.189 1.445 0.920) 7.391 5.256 ( 3.539 2.011 -0.872) 4.163 5.256 ( 3.539 2.011 0.872) 4.163 5.556 ( -1.396 2.393 -0.565) 2.827 5.556 ( -1.396 2.393 0.565) 2.827 5.697 ( -3.083 -1.196 -3.241) 4.630 5.697 ( -3.083 -1.196 3.241) 4.630 6.312 ( -8.135 -2.088 -7.689) 11.387 6.312 ( -8.135 -2.088 7.689) 11.387 6.489 ( 0.391 -6.621 -12.561) 14.204 6.489 ( 0.391 -6.621 12.561) 14.204 7.132 ( -4.405 4.540 -18.274) 19.338 7.132 ( -4.405 4.540 18.274) 19.338 8.147 ( 6.151 6.123 -3.097) 9.215 8.147 ( 6.151 6.123 3.097) 9.215 8.395 ( 1.882 5.124 -2.908) 6.185 8.395 ( 1.882 5.124 2.908) 6.185 9.809 ( 8.164 1.437 -5.263) 9.819 9.809 ( 8.164 1.437 5.263) 9.819 10.096 ( -5.286 -5.778 -5.102) 9.347 10.096 ( -5.286 -5.778 5.102) 9.347 18.807 ( -0.877 -1.183 -1.757) 2.292 18.807 ( -0.877 -1.183 1.757) 2.292 19.011 ( -3.476 6.437 -2.245) 7.652 19.011 ( -3.476 6.437 2.245) 7.652 19.493 ( 1.865 0.103 -0.980) 2.109 19.493 ( 1.865 0.103 0.980) 2.109 19.641 ( -4.968 -7.089 -3.171) 9.219 19.641 ( -4.968 -7.089 3.171) 9.219 20.943 ( 20.123 3.026 -5.078) 20.973 20.943 ( 20.123 3.026 5.078) 20.973 21.735 ( -11.591 -0.041 -1.316) 11.665 21.735 ( -11.591 -0.041 1.316) 11.665 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 3.084 -0.823 -3.135) 4.474 1.277 ( 3.084 -0.823 3.135) 4.474 1.575 ( 9.391 -2.506 -2.246) 9.976 1.575 ( 9.391 -2.506 2.246) 9.976 1.705 ( 2.240 -1.253 -1.416) 2.931 1.705 ( 2.240 -1.253 1.416) 2.931 1.747 ( 0.235 2.168 -1.269) 2.523 1.747 ( 0.235 2.168 1.269) 2.523 1.826 ( -5.614 1.430 -1.214) 5.919 1.826 ( -5.614 1.430 1.214) 5.919 1.928 ( -3.203 -0.762 -1.602) 3.661 1.928 ( -3.203 -0.762 1.602) 3.661 2.033 ( 0.340 -3.630 -4.390) 5.707 2.033 ( 0.340 -3.630 4.390) 5.707 2.111 ( -3.095 3.410 -6.596) 8.045 2.111 ( -3.095 3.410 6.596) 8.045 2.292 ( 0.593 -1.670 -1.593) 2.382 2.292 ( 0.593 -1.670 1.593) 2.382 2.440 ( -0.035 2.118 -4.179) 4.685 2.440 ( -0.035 2.118 4.179) 4.685 2.611 ( 1.833 -0.921 -0.479) 2.106 2.611 ( 1.833 -0.921 0.479) 2.106 2.683 ( 3.723 -5.576 -3.624) 7.621 2.683 ( 3.723 -5.576 3.624) 7.621 2.870 ( 2.413 -0.163 -0.870) 2.570 2.870 ( 2.413 -0.163 0.870) 2.570 3.103 ( -4.324 4.794 -3.443) 7.316 3.103 ( -4.324 4.794 3.443) 7.316 3.285 ( 0.170 0.659 -0.600) 0.908 3.285 ( 0.170 0.659 0.600) 0.908 3.311 ( -0.104 -0.179 -0.392) 0.443 3.311 ( -0.104 -0.179 0.392) 0.443 4.093 ( 4.972 -4.019 -4.846) 8.023 4.093 ( 4.972 -4.019 4.846) 8.023 4.190 ( -1.027 4.207 -2.708) 5.107 4.190 ( -1.027 4.207 2.708) 5.107 4.883 ( 16.322 0.580 -2.546) 16.530 4.883 ( 16.322 0.580 2.546) 16.530 5.117 ( -5.361 -0.191 -1.323) 5.525 5.117 ( -5.361 -0.191 1.323) 5.525 5.357 ( 6.660 -0.623 -2.125) 7.019 5.357 ( 6.660 -0.623 2.125) 7.019 5.509 ( -3.381 1.072 -3.829) 5.219 5.509 ( -3.381 1.072 3.829) 5.219 5.709 ( 6.797 3.423 -3.323) 8.304 5.709 ( 6.797 3.423 3.323) 8.304 6.015 ( -17.433 -3.049 -1.815) 17.790 6.015 ( -17.433 -3.049 1.815) 17.790 6.715 ( 9.522 -6.706 -18.859) 22.165 6.715 ( 9.522 -6.706 18.859) 22.165 6.978 ( -6.797 5.600 -18.348) 20.352 6.978 ( -6.797 5.600 18.348) 20.352 8.183 ( 2.130 2.618 -0.857) 3.482 8.183 ( 2.130 2.618 0.857) 3.482 8.406 ( 1.452 1.312 -0.780) 2.106 8.406 ( 1.452 1.312 0.780) 2.106 9.935 ( 7.118 2.099 -5.444) 9.204 9.935 ( 7.118 2.099 5.444) 9.204 10.034 ( -5.998 -3.699 -5.254) 8.790 10.034 ( -5.998 -3.699 5.254) 8.790 18.821 ( 0.645 -1.832 -0.274) 1.961 18.821 ( 0.645 -1.832 0.274) 1.961 18.909 ( -2.249 3.585 -1.166) 4.389 18.909 ( -2.249 3.585 1.166) 4.389 19.524 ( 1.577 0.664 -0.799) 1.888 19.524 ( 1.577 0.664 0.799) 1.888 19.611 ( -2.778 -3.160 -1.601) 4.501 19.611 ( -2.778 -3.160 1.601) 4.501 21.256 ( 16.527 2.203 -2.790) 16.905 21.256 ( 16.527 2.203 2.790) 16.905 21.514 ( -13.300 -1.138 -1.190) 13.401 21.514 ( -13.300 -1.138 1.190) 13.401 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 12.718 0.000 -13.921) 18.856 0.927 ( 12.718 0.000 13.921) 18.856 1.099 ( 9.554 0.000 -13.803) 16.787 1.099 ( 9.554 0.000 13.803) 16.787 1.487 ( 6.454 0.000 -5.504) 8.482 1.487 ( 6.454 0.000 5.504) 8.482 1.598 ( 14.927 0.000 -2.073) 15.071 1.598 ( 14.927 0.000 2.073) 15.071 1.818 ( 9.030 0.000 -8.673) 12.521 1.818 ( 9.030 0.000 8.673) 12.521 1.934 ( 0.373 0.000 -3.645) 3.664 1.934 ( 0.373 0.000 3.645) 3.664 2.000 ( -1.612 -0.000 -0.823) 1.810 2.000 ( -1.612 -0.000 0.823) 1.810 2.198 ( -4.310 -0.000 -2.112) 4.800 2.198 ( -4.310 -0.000 2.112) 4.800 2.302 ( -3.827 -0.000 -5.296) 6.534 2.302 ( -3.827 -0.000 5.296) 6.534 2.386 ( -0.571 -0.000 -1.268) 1.390 2.386 ( -0.571 -0.000 1.268) 1.390 2.451 ( -3.211 -0.000 -4.778) 5.757 2.451 ( -3.211 -0.000 4.778) 5.757 2.754 ( 1.041 0.000 -2.600) 2.801 2.754 ( 1.041 0.000 2.600) 2.801 2.879 ( -1.766 -0.000 -1.740) 2.479 2.879 ( -1.766 -0.000 1.740) 2.479 3.198 ( 4.302 0.000 -1.325) 4.501 3.198 ( 4.302 0.000 1.325) 4.501 3.311 ( 1.760 0.000 -2.328) 2.918 3.311 ( 1.760 0.000 2.328) 2.918 3.372 ( -4.667 -0.000 -5.621) 7.306 3.372 ( -4.667 -0.000 5.621) 7.306 3.723 ( 10.691 0.000 -5.042) 11.821 3.723 ( 10.691 0.000 5.042) 11.821 3.869 ( 18.990 0.000 -4.797) 19.586 3.869 ( 18.990 0.000 4.797) 19.586 4.418 ( 2.621 0.000 -2.649) 3.726 4.418 ( 2.621 0.000 2.649) 3.726 4.956 ( 12.184 0.000 -2.304) 12.400 4.956 ( 12.184 0.000 2.304) 12.400 5.230 ( 6.941 0.000 -4.237) 8.132 5.230 ( 6.941 0.000 4.237) 8.132 5.638 ( -0.455 -0.000 -1.700) 1.760 5.638 ( -0.455 -0.000 1.700) 1.760 5.712 ( -6.033 -0.000 -1.337) 6.180 5.712 ( -6.033 -0.000 1.337) 6.180 6.151 ( 4.718 0.000 -6.185) 7.779 6.151 ( 4.718 0.000 6.185) 7.779 6.678 ( -13.708 -0.000 -4.319) 14.373 6.678 ( -13.708 -0.000 4.319) 14.373 7.225 ( 1.245 0.000 -15.766) 15.815 7.225 ( 1.245 0.000 15.766) 15.815 8.137 ( 5.944 0.000 -5.462) 8.073 8.137 ( 5.944 0.000 5.462) 8.073 8.564 ( -5.732 -0.000 -0.602) 5.764 8.564 ( -5.732 -0.000 0.602) 5.764 9.689 ( 8.058 0.000 -3.748) 8.887 9.689 ( 8.058 0.000 3.748) 8.887 10.038 ( -1.988 -0.000 -2.633) 3.299 10.038 ( -1.988 -0.000 2.633) 3.299 18.835 ( -3.967 -0.000 -3.633) 5.379 18.835 ( -3.967 -0.000 3.633) 5.379 19.244 ( -3.823 -0.000 -3.668) 5.298 19.244 ( -3.823 -0.000 3.668) 5.298 19.472 ( 0.879 0.000 -1.895) 2.089 19.472 ( 0.879 0.000 1.895) 2.089 19.536 ( -3.316 -0.000 -1.615) 3.689 19.536 ( -3.316 -0.000 1.615) 3.689 20.591 ( 23.623 0.000 -8.244) 25.021 20.591 ( 23.623 0.000 8.244) 25.021 21.963 ( -12.421 -0.000 -2.768) 12.726 21.963 ( -12.421 -0.000 2.768) 12.726 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 11.753 1.562 -10.371) 15.752 1.159 ( 11.753 1.562 10.371) 15.752 1.283 ( 10.163 -3.096 -10.876) 15.204 1.283 ( 10.163 -3.096 10.876) 15.204 1.594 ( 4.802 -0.875 -1.013) 4.985 1.594 ( 4.802 -0.875 1.013) 4.985 1.808 ( 6.761 -1.639 -1.123) 7.047 1.808 ( 6.761 -1.639 1.123) 7.047 1.865 ( -0.286 2.863 -1.591) 3.288 1.865 ( -0.286 2.863 1.591) 3.288 1.952 ( -3.002 -0.195 -3.608) 4.698 1.952 ( -3.002 -0.195 3.608) 4.698 2.062 ( -0.828 -0.792 -3.971) 4.133 2.062 ( -0.828 -0.792 3.971) 4.133 2.148 ( 4.311 -2.274 -6.244) 7.921 2.148 ( 4.311 -2.274 6.244) 7.921 2.215 ( -4.601 -0.806 -6.509) 8.012 2.215 ( -4.601 -0.806 6.509) 8.012 2.342 ( 0.570 -1.616 -1.707) 2.419 2.342 ( 0.570 -1.616 1.707) 2.419 2.487 ( 4.232 0.504 -7.416) 8.553 2.487 ( 4.232 0.504 7.416) 8.553 2.706 ( -4.990 1.354 -1.378) 5.351 2.706 ( -4.990 1.354 1.378) 5.351 2.865 ( 0.060 0.070 -3.428) 3.429 2.865 ( 0.060 0.070 3.428) 3.429 3.236 ( 0.069 0.734 -4.102) 4.167 3.236 ( 0.069 0.734 4.102) 4.167 3.308 ( -1.325 0.390 -3.377) 3.649 3.308 ( -1.325 0.390 3.377) 3.649 3.340 ( 0.893 1.421 -0.576) 1.774 3.340 ( 0.893 1.421 0.576) 1.774 3.891 ( 7.349 -1.735 -6.714) 10.104 3.891 ( 7.349 -1.735 6.714) 10.104 4.201 ( 10.808 0.743 -2.400) 11.096 4.201 ( 10.808 0.743 2.400) 11.096 4.552 ( 15.378 0.294 -2.922) 15.656 4.552 ( 15.378 0.294 2.922) 15.656 5.136 ( 6.090 0.634 -0.504) 6.144 5.136 ( 6.090 0.634 0.504) 6.144 5.285 ( 1.411 1.003 -2.145) 2.756 5.285 ( 1.411 1.003 2.145) 2.756 5.597 ( -2.652 1.976 -2.374) 4.071 5.597 ( -2.652 1.976 2.374) 4.071 5.668 ( 0.936 -1.775 -0.848) 2.178 5.668 ( 0.936 -1.775 0.848) 2.178 6.282 ( -3.078 -1.047 -10.911) 11.385 6.282 ( -3.078 -1.047 10.911) 11.385 6.406 ( -5.587 -2.377 -9.001) 10.857 6.406 ( -5.587 -2.377 9.001) 10.857 7.192 ( -3.633 1.848 -19.244) 19.671 7.192 ( -3.633 1.848 19.244) 19.671 8.230 ( 4.881 2.506 -4.438) 7.057 8.230 ( 4.881 2.506 4.438) 7.057 8.471 ( -2.985 2.796 -1.238) 4.274 8.471 ( -2.985 2.796 1.238) 4.274 9.830 ( 7.894 0.752 -5.352) 9.567 9.830 ( 7.894 0.752 5.352) 9.567 10.012 ( -2.847 -2.948 -3.774) 5.571 10.012 ( -2.847 -2.948 3.774) 5.571 18.789 ( -1.551 -0.591 -1.715) 2.386 18.789 ( -1.551 -0.591 1.715) 2.386 19.124 ( -5.537 4.875 -2.756) 7.875 19.124 ( -5.537 4.875 2.756) 7.875 19.482 ( -0.337 -1.768 -1.083) 2.100 19.482 ( -0.337 -1.768 1.083) 2.100 19.534 ( 0.507 -3.133 -1.434) 3.483 19.534 ( 0.507 -3.133 1.434) 3.483 20.982 ( 19.491 1.227 -6.108) 20.463 20.982 ( 19.491 1.227 6.108) 20.463 21.735 ( -12.458 0.008 -1.364) 12.532 21.735 ( -12.458 0.008 1.364) 12.532 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.151 3.320 -7.758) 10.442 1.302 ( 6.151 3.320 7.758) 10.442 1.518 ( 10.237 -4.438 -3.917) 11.825 1.518 ( 10.237 -4.438 3.917) 11.825 1.679 ( 3.965 -0.294 -0.707) 4.039 1.679 ( 3.965 -0.294 0.707) 4.039 1.810 ( -3.001 3.755 -2.013) 5.211 1.810 ( -3.001 3.755 2.013) 5.211 1.861 ( -1.962 1.972 -1.121) 2.999 1.861 ( -1.962 1.972 1.121) 2.999 1.916 ( -1.201 -0.328 -2.340) 2.651 1.916 ( -1.201 -0.328 2.340) 2.651 1.984 ( -2.227 -1.911 -3.559) 4.612 1.984 ( -2.227 -1.911 3.559) 4.612 2.145 ( -0.728 -0.080 -4.897) 4.951 2.145 ( -0.728 -0.080 4.897) 4.951 2.213 ( -1.973 -4.597 -6.507) 8.207 2.213 ( -1.973 -4.597 6.507) 8.207 2.491 ( 0.936 2.378 -6.322) 6.818 2.491 ( 0.936 2.378 6.322) 6.818 2.545 ( 6.039 -5.010 -5.704) 9.700 2.545 ( 6.039 -5.010 5.704) 9.700 2.639 ( 1.611 -0.110 -1.560) 2.245 2.639 ( 1.611 -0.110 1.560) 2.245 2.869 ( 0.824 0.227 -3.778) 3.874 2.869 ( 0.824 0.227 3.778) 3.874 3.185 ( -4.018 2.867 -4.732) 6.838 3.185 ( -4.018 2.867 4.732) 6.838 3.283 ( -1.580 0.733 -3.217) 3.658 3.283 ( -1.580 0.733 3.217) 3.658 3.338 ( 1.081 1.824 -2.538) 3.307 3.338 ( 1.081 1.824 2.538) 3.307 4.017 ( 3.621 -3.863 -5.426) 7.581 4.017 ( 3.621 -3.863 5.426) 7.581 4.249 ( -1.054 2.243 -2.109) 3.254 4.249 ( -1.054 2.243 2.109) 3.254 4.894 ( 16.918 0.540 -2.393) 17.095 4.894 ( 16.918 0.540 2.393) 17.095 5.113 ( -6.834 -0.164 -1.467) 6.992 5.113 ( -6.834 -0.164 1.467) 6.992 5.345 ( 4.911 -0.572 -3.424) 6.014 5.345 ( 4.911 -0.572 3.424) 6.014 5.531 ( -2.958 1.153 -4.076) 5.167 5.531 ( -2.958 1.153 4.076) 5.167 5.764 ( 7.098 2.502 -2.826) 8.039 5.764 ( 7.098 2.502 2.826) 8.039 5.962 ( -17.651 -2.620 -1.211) 17.885 5.962 ( -17.651 -2.620 1.211) 17.885 6.607 ( 11.133 -4.706 -20.550) 23.841 6.607 ( 11.133 -4.706 20.550) 23.841 7.071 ( -6.416 4.156 -21.345) 22.673 7.071 ( -6.416 4.156 21.345) 22.673 8.244 ( -0.627 3.664 -1.988) 4.215 8.244 ( -0.627 3.664 1.988) 4.215 8.412 ( -2.397 -0.466 -1.522) 2.877 8.412 ( -2.397 -0.466 1.522) 2.877 9.958 ( 2.660 -0.527 -3.701) 4.588 9.958 ( 2.660 -0.527 3.701) 4.588 9.983 ( 1.102 -0.850 -3.394) 3.668 9.983 ( 1.102 -0.850 3.394) 3.668 18.785 ( -0.013 -1.617 -0.101) 1.620 18.785 ( -0.013 -1.617 0.101) 1.620 18.989 ( -4.181 4.405 -1.421) 6.237 18.989 ( -4.181 4.405 1.421) 6.237 19.490 ( -1.435 -3.540 -1.413) 4.073 19.490 ( -1.435 -3.540 1.413) 4.073 19.591 ( 4.055 0.334 -2.760) 4.917 19.591 ( 4.055 0.334 2.760) 4.917 21.290 ( 15.526 1.474 -3.451) 15.973 21.290 ( 15.526 1.474 3.451) 15.973 21.497 ( -14.106 -0.738 -0.699) 14.142 21.497 ( -14.106 -0.738 0.699) 14.142 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.352 4.476 -3.160) 5.490 1.327 ( 0.352 4.476 3.160) 5.490 1.618 ( -6.284 1.575 -2.479) 6.936 1.618 ( -6.284 1.575 2.479) 6.936 1.693 ( 0.114 -0.849 -2.212) 2.372 1.693 ( 0.114 -0.849 2.212) 2.372 1.750 ( -4.058 1.570 -1.203) 4.515 1.750 ( -4.058 1.570 1.203) 4.515 1.818 ( 6.533 0.110 -1.747) 6.763 1.818 ( 6.533 0.110 1.747) 6.763 1.941 ( 3.762 0.339 -2.090) 4.317 1.941 ( 3.762 0.339 2.090) 4.317 2.044 ( 4.220 -3.056 -7.316) 8.982 2.044 ( 4.220 -3.056 7.316) 8.982 2.106 ( -1.394 4.017 -4.007) 5.843 2.106 ( -1.394 4.017 4.007) 5.843 2.236 ( -1.585 -6.127 -4.526) 7.781 2.236 ( -1.585 -6.127 4.526) 7.781 2.429 ( -2.050 -0.308 -1.298) 2.446 2.429 ( -2.050 -0.308 1.298) 2.446 2.636 ( 0.709 1.602 -3.820) 4.202 2.636 ( 0.709 1.602 3.820) 4.202 2.731 ( 4.134 -1.330 -2.584) 5.053 2.731 ( 4.134 -1.330 2.584) 5.053 2.881 ( -2.345 1.571 -5.105) 5.834 2.881 ( -2.345 1.571 5.105) 5.834 3.072 ( -1.699 1.739 -2.492) 3.482 3.072 ( -1.699 1.739 2.492) 3.482 3.251 ( -2.054 -1.802 -4.595) 5.346 3.251 ( -2.054 -1.802 4.595) 5.346 3.344 ( 1.225 2.120 -2.533) 3.523 3.344 ( 1.225 2.120 2.533) 3.523 4.088 ( -0.987 -5.059 -3.404) 6.178 4.088 ( -0.987 -5.059 3.404) 6.178 4.168 ( -4.516 2.441 -3.451) 6.185 4.168 ( -4.516 2.441 3.451) 6.185 4.877 ( -16.241 -0.129 -2.777) 16.477 4.877 ( -16.241 -0.129 2.777) 16.477 5.117 ( 4.403 -0.247 -0.814) 4.484 5.117 ( 4.403 -0.247 0.814) 4.484 5.364 ( -7.326 0.207 -1.394) 7.460 5.364 ( -7.326 0.207 1.394) 7.460 5.498 ( 0.537 -0.077 -2.120) 2.188 5.498 ( 0.537 -0.077 2.120) 2.188 5.649 ( -4.658 -3.152 -2.162) 6.025 5.649 ( -4.658 -3.152 2.162) 6.025 6.064 ( 17.349 2.409 -2.103) 17.641 6.064 ( 17.349 2.409 2.103) 17.641 6.789 ( -0.138 -0.377 -12.505) 12.511 6.789 ( -0.138 -0.377 12.505) 12.511 6.925 ( -0.472 1.554 -12.316) 12.422 6.925 ( -0.472 1.554 12.316) 12.422 8.164 ( -5.432 0.476 -0.595) 5.485 8.164 ( -5.432 0.476 0.595) 5.485 8.366 ( -4.920 -3.119 -0.147) 5.827 8.366 ( -4.920 -3.119 0.147) 5.827 9.897 ( -6.132 -2.003 -5.231) 8.306 9.897 ( -6.132 -2.003 5.231) 8.306 10.096 ( 7.656 3.003 -5.307) 9.788 10.096 ( 7.656 3.003 5.307) 9.788 18.810 ( 0.199 -2.388 -1.414) 2.783 18.810 ( 0.199 -2.388 1.414) 2.783 18.907 ( -0.905 2.452 -0.289) 2.630 18.907 ( -0.905 2.452 0.289) 2.630 19.492 ( -1.147 -2.250 -0.936) 2.693 19.492 ( -1.147 -2.250 0.936) 2.693 19.671 ( 6.111 2.934 -3.959) 7.850 19.671 ( 6.111 2.934 3.959) 7.850 21.218 ( -17.632 -1.893 -2.065) 17.854 21.218 ( -17.632 -1.893 2.065) 17.854 21.534 ( 12.400 1.011 -1.567) 12.540 21.534 ( 12.400 1.011 1.567) 12.540 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -5.273 6.027 -5.492) 9.710 1.232 ( -5.273 6.027 5.492) 9.710 1.436 ( -8.101 5.337 -2.583) 10.039 1.436 ( -8.101 5.337 2.583) 10.039 1.651 ( -3.388 0.627 -1.220) 3.656 1.651 ( -3.388 0.627 1.220) 3.656 1.742 ( 1.859 -0.793 -1.907) 2.779 1.742 ( 1.859 -0.793 1.907) 2.779 1.895 ( -0.128 0.243 -1.085) 1.119 1.895 ( -0.128 0.243 1.085) 1.119 1.969 ( -0.240 1.835 -3.479) 3.940 1.969 ( -0.240 1.835 3.479) 3.940 2.099 ( 3.672 1.389 -2.113) 4.459 2.099 ( 3.672 1.389 2.113) 4.459 2.171 ( 5.491 -2.747 -6.365) 8.843 2.171 ( 5.491 -2.747 6.365) 8.843 2.247 ( -1.155 -2.970 -0.568) 3.237 2.247 ( -1.155 -2.970 0.568) 3.237 2.412 ( -1.859 -0.187 -2.346) 2.999 2.412 ( -1.859 -0.187 2.346) 2.999 2.565 ( -5.321 6.202 -5.946) 10.106 2.565 ( -5.321 6.202 5.946) 10.106 2.698 ( -2.006 5.622 -5.745) 8.285 2.698 ( -2.006 5.622 5.745) 8.285 2.835 ( 0.942 -2.703 -2.194) 3.606 2.835 ( 0.942 -2.703 2.194) 3.606 3.116 ( 0.962 -4.017 -0.919) 4.232 3.116 ( 0.962 -4.017 0.919) 4.232 3.242 ( -1.495 -3.329 -4.309) 5.647 3.242 ( -1.495 -3.329 4.309) 5.647 3.348 ( 1.570 2.155 -2.185) 3.447 3.348 ( 1.570 2.155 2.185) 3.447 3.988 ( -8.879 2.086 -5.074) 10.437 3.988 ( -8.879 2.086 5.074) 10.437 4.108 ( -7.080 -4.360 -1.669) 8.481 4.108 ( -7.080 -4.360 1.669) 8.481 4.526 ( -18.521 -0.766 -2.929) 18.767 4.526 ( -18.521 -0.766 2.929) 18.767 5.089 ( -9.003 -1.516 -1.289) 9.220 5.089 ( -9.003 -1.516 1.289) 9.220 5.219 ( -5.396 -2.096 -1.179) 5.907 5.219 ( -5.396 -2.096 1.179) 5.907 5.515 ( 1.165 -2.247 -0.749) 2.639 5.515 ( 1.165 -2.247 0.749) 2.639 5.711 ( 5.805 0.508 -4.793) 7.546 5.711 ( 5.805 0.508 4.793) 7.546 6.351 ( 10.985 2.180 -4.923) 12.234 6.351 ( 10.985 2.180 4.923) 12.234 6.619 ( -4.140 7.314 -15.004) 17.198 6.619 ( -4.140 7.314 15.004) 17.198 7.046 ( 5.371 -4.666 -16.604) 18.065 7.046 ( 5.371 -4.666 16.604) 18.065 8.047 ( -8.989 -4.174 -1.785) 10.070 8.047 ( -8.989 -4.174 1.785) 10.070 8.297 ( -5.927 -5.934 -3.408) 9.053 8.297 ( -5.927 -5.934 3.408) 9.053 9.782 ( -7.949 -1.486 -4.956) 9.485 9.782 ( -7.949 -1.486 4.956) 9.485 10.196 ( 7.185 5.162 -5.201) 10.262 10.196 ( 7.185 5.162 5.201) 10.262 18.816 ( -0.493 -0.766 -1.235) 1.534 18.816 ( -0.493 -0.766 1.235) 1.534 18.929 ( 2.771 -2.119 -1.566) 3.824 18.929 ( 2.771 -2.119 1.566) 3.824 19.487 ( -0.648 -0.412 -0.552) 0.945 19.487 ( -0.648 -0.412 0.552) 0.945 19.755 ( 6.904 5.538 -5.074) 10.202 19.755 ( 6.904 5.538 5.074) 10.202 20.884 ( -21.093 -3.356 -3.613) 21.662 20.884 ( -21.093 -3.356 3.613) 21.662 21.736 ( 10.408 0.125 -1.082) 10.465 21.736 ( 10.408 0.125 1.082) 10.465 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -6.754 7.130 -11.205) 14.900 1.057 ( -6.754 7.130 11.205) 14.900 1.225 ( -9.273 7.225 -7.971) 14.203 1.225 ( -9.273 7.225 7.971) 14.203 1.585 ( -2.646 3.348 -0.724) 4.328 1.585 ( -2.646 3.348 0.724) 4.328 1.750 ( -4.846 1.763 -4.280) 6.701 1.750 ( -4.846 1.763 4.280) 6.701 1.841 ( -1.211 1.113 -4.084) 4.403 1.841 ( -1.211 1.113 4.084) 4.403 1.947 ( -1.520 -0.534 -3.727) 4.060 1.947 ( -1.520 -0.534 3.727) 4.060 2.021 ( -9.669 6.538 -3.898) 12.306 2.021 ( -9.669 6.538 3.898) 12.306 2.228 ( 3.263 0.924 -1.085) 3.560 2.228 ( 3.263 0.924 1.085) 3.560 2.302 ( 3.516 -0.727 -4.058) 5.419 2.302 ( 3.516 -0.727 4.058) 5.419 2.411 ( 3.708 -1.499 -1.939) 4.445 2.411 ( 3.708 -1.499 1.939) 4.445 2.448 ( -1.833 3.770 -0.786) 4.265 2.448 ( -1.833 3.770 0.786) 4.265 2.692 ( 0.531 -2.348 -1.276) 2.725 2.692 ( 0.531 -2.348 1.276) 2.725 2.874 ( 1.490 -0.534 -2.007) 2.556 2.874 ( 1.490 -0.534 2.007) 2.556 3.120 ( -3.873 -2.930 -1.225) 5.009 3.120 ( -3.873 -2.930 1.225) 5.009 3.249 ( -1.251 -3.590 -3.120) 4.918 3.249 ( -1.251 -3.590 3.120) 4.918 3.373 ( 2.843 0.908 -3.099) 4.302 3.373 ( 2.843 0.908 3.099) 4.302 3.769 ( -15.148 1.074 -3.029) 15.485 3.769 ( -15.148 1.074 3.029) 15.485 3.888 ( -13.094 0.300 -4.174) 13.747 3.888 ( -13.094 0.300 4.174) 13.747 4.355 ( -3.731 -3.677 -3.877) 6.518 4.355 ( -3.731 -3.677 3.877) 6.518 4.896 ( -12.474 -2.601 -1.964) 12.892 4.896 ( -12.474 -2.601 1.964) 12.892 5.145 ( -6.796 -2.967 -4.473) 8.660 5.145 ( -6.796 -2.967 4.473) 8.660 5.587 ( 3.862 -2.724 -1.186) 4.873 5.587 ( 3.862 -2.724 1.186) 4.873 5.799 ( 4.653 2.608 -4.403) 6.917 5.799 ( 4.653 2.608 4.403) 6.917 6.257 ( -7.724 4.962 -11.122) 14.421 6.257 ( -7.724 4.962 11.122) 14.421 6.728 ( 12.066 2.719 -3.889) 12.965 6.728 ( 12.066 2.719 3.889) 12.965 7.146 ( 0.908 -3.625 -14.314) 14.793 7.146 ( 0.908 -3.625 14.314) 14.793 7.911 ( -12.021 -9.502 -5.159) 16.168 7.911 ( -12.021 -9.502 5.159) 16.168 8.298 ( -0.072 -8.672 -8.981) 12.485 8.298 ( -0.072 -8.672 8.981) 12.485 9.639 ( -8.857 -1.425 -3.748) 9.723 9.639 ( -8.857 -1.425 3.748) 9.723 10.266 ( 6.369 7.395 -6.127) 11.523 10.266 ( 6.369 7.395 6.127) 11.523 18.831 ( 1.448 -1.363 -3.071) 3.658 18.831 ( 1.448 -1.363 3.071) 3.658 19.015 ( 2.829 -4.588 -2.272) 5.850 19.015 ( 2.829 -4.588 2.272) 5.850 19.475 ( -0.425 0.923 -0.546) 1.154 19.475 ( -0.425 0.923 0.546) 1.154 19.812 ( 5.024 7.694 -5.386) 10.651 19.812 ( 5.024 7.694 5.386) 10.651 20.519 ( -21.295 -3.538 -6.393) 22.514 20.519 ( -21.295 -3.538 6.393) 22.514 21.923 ( 9.387 -1.552 -2.560) 9.853 21.923 ( 9.387 -1.552 2.560) 9.853 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.209 9.447 -11.757) 16.310 0.868 ( -6.209 9.447 11.757) 16.310 0.941 ( -14.840 6.318 -10.383) 19.182 0.941 ( -14.840 6.318 10.383) 19.182 1.466 ( -4.510 7.659 -4.153) 9.810 1.466 ( -4.510 7.659 4.153) 9.810 1.552 ( -5.248 10.271 -8.486) 14.320 1.552 ( -5.248 10.271 8.486) 14.320 1.780 ( -5.054 6.116 -7.954) 11.235 1.780 ( -5.054 6.116 7.954) 11.235 1.892 ( 0.710 -3.127 -4.502) 5.527 1.892 ( 0.710 -3.127 4.502) 5.527 1.944 ( -1.427 -2.395 -2.612) 3.820 1.944 ( -1.427 -2.395 2.612) 3.820 2.270 ( 0.901 -0.362 -2.017) 2.239 2.270 ( 0.901 -0.362 2.017) 2.239 2.343 ( 0.975 2.131 -5.765) 6.223 2.343 ( 0.975 2.131 5.765) 6.223 2.432 ( 2.746 0.085 -3.366) 4.345 2.432 ( 2.746 0.085 3.366) 4.345 2.509 ( 4.280 -1.550 -3.120) 5.519 2.509 ( 4.280 -1.550 3.120) 5.519 2.691 ( -3.368 -0.938 -1.090) 3.662 2.691 ( -3.368 -0.938 1.090) 3.662 2.908 ( 2.086 -0.645 -1.900) 2.894 2.908 ( 2.086 -0.645 1.900) 2.894 3.047 ( -5.771 -2.423 -2.715) 6.823 3.047 ( -5.771 -2.423 2.715) 6.823 3.258 ( -0.777 -2.905 -2.931) 4.199 3.258 ( -0.777 -2.905 2.931) 4.199 3.429 ( -1.423 -0.597 -2.468) 2.911 3.429 ( -1.423 -0.597 2.468) 2.911 3.489 ( -6.412 -0.518 -3.578) 7.361 3.489 ( -6.412 -0.518 3.578) 7.361 3.736 ( -3.657 2.779 -5.975) 7.536 3.736 ( -3.657 2.779 5.975) 7.536 4.357 ( -0.427 -3.132 -3.180) 4.483 4.357 ( -0.427 -3.132 3.180) 4.483 4.702 ( -10.387 -1.993 -4.850) 11.636 4.702 ( -10.387 -1.993 4.850) 11.636 5.002 ( -10.226 -1.830 -8.521) 13.436 5.002 ( -10.226 -1.830 8.521) 13.436 5.667 ( 1.838 -0.786 -1.034) 2.251 5.667 ( 1.838 -0.786 1.034) 2.251 5.841 ( 3.604 1.994 -1.020) 4.243 5.841 ( 3.604 1.994 1.020) 4.243 6.162 ( 0.166 1.530 -5.777) 5.979 6.162 ( 0.166 1.530 5.777) 5.979 6.882 ( 6.932 1.258 -5.464) 8.916 6.882 ( 6.932 1.258 5.464) 8.916 7.130 ( -4.893 -1.206 -11.675) 12.716 7.130 ( -4.893 -1.206 11.675) 12.716 7.812 ( -8.952 -14.123 -7.154) 18.188 7.812 ( -8.952 -14.123 7.154) 18.188 8.451 ( 5.745 -12.107 -13.778) 19.221 8.451 ( 5.745 -12.107 13.778) 19.221 9.493 ( -7.867 -1.214 -1.260) 8.059 9.493 ( -7.867 -1.214 1.260) 8.059 10.290 ( 4.141 9.918 -8.259) 13.555 10.290 ( 4.141 9.918 8.259) 13.555 18.905 ( 4.649 -3.783 -4.701) 7.617 18.905 ( 4.649 -3.783 4.701) 7.617 19.095 ( 0.359 -5.452 -1.933) 5.796 19.095 ( 0.359 -5.452 1.933) 5.796 19.458 ( -0.398 1.118 -0.572) 1.318 19.458 ( -0.398 1.118 0.572) 1.318 19.778 ( -2.152 6.584 -2.766) 7.458 19.778 ( -2.152 6.584 2.766) 7.458 20.201 ( -12.865 2.110 -11.341) 17.279 20.201 ( -12.865 2.110 11.341) 17.279 22.107 ( 7.437 -4.138 -3.337) 9.141 22.107 ( 7.437 -4.138 3.337) 9.141 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.000 7.325 -11.354) 13.512 0.644 ( 0.000 7.325 11.354) 13.512 0.749 ( 0.000 9.012 -15.623) 18.036 0.749 ( 0.000 9.012 15.623) 18.036 1.356 ( 0.000 9.588 -24.842) 26.628 1.356 ( 0.000 9.588 24.842) 26.628 1.414 ( 0.000 6.345 -4.821) 7.968 1.414 ( 0.000 6.345 4.821) 7.968 1.682 ( 0.000 4.974 -5.707) 7.570 1.682 ( 0.000 4.974 5.707) 7.570 1.934 ( -0.000 -4.018 -4.221) 5.828 1.934 ( -0.000 -4.018 4.221) 5.828 1.954 ( -0.000 -2.891 -9.113) 9.561 1.954 ( -0.000 -2.891 9.113) 9.561 2.271 ( 0.000 1.030 -1.813) 2.085 2.271 ( 0.000 1.030 1.813) 2.085 2.331 ( 0.000 1.951 -7.860) 8.099 2.331 ( 0.000 1.951 7.860) 8.099 2.479 ( -0.000 -1.068 -2.854) 3.047 2.479 ( -0.000 -1.068 2.854) 3.047 2.594 ( -0.000 -1.172 -2.215) 2.506 2.594 ( -0.000 -1.172 2.215) 2.506 2.607 ( 0.000 1.038 -2.921) 3.101 2.607 ( 0.000 1.038 2.921) 3.101 2.946 ( 0.000 0.685 -3.766) 3.828 2.946 ( 0.000 0.685 3.766) 3.828 2.998 ( -0.000 -3.510 -2.184) 4.134 2.998 ( -0.000 -3.510 2.184) 4.134 3.273 ( -0.000 -1.658 -4.181) 4.498 3.273 ( -0.000 -1.658 4.181) 4.498 3.343 ( -0.000 -0.067 -5.408) 5.408 3.343 ( -0.000 -0.067 5.408) 5.408 3.537 ( -0.000 -2.576 -10.392) 10.706 3.537 ( -0.000 -2.576 10.392) 10.706 3.677 ( 0.000 3.574 -5.740) 6.761 3.677 ( 0.000 3.574 5.740) 6.761 4.377 ( -0.000 -1.641 -2.651) 3.118 4.377 ( -0.000 -1.641 2.651) 3.118 4.596 ( -0.000 -0.672 -6.705) 6.739 4.596 ( -0.000 -0.672 6.705) 6.739 4.894 ( -0.000 -0.473 -7.153) 7.169 4.894 ( -0.000 -0.473 7.153) 7.169 5.674 ( 0.000 1.372 -2.408) 2.771 5.674 ( 0.000 1.372 2.408) 2.771 5.887 ( -0.000 -0.806 -1.503) 1.705 5.887 ( -0.000 -0.806 1.503) 1.705 6.168 ( 0.000 0.317 -12.542) 12.546 6.168 ( 0.000 0.317 12.542) 12.546 6.976 ( -0.000 -0.130 -5.171) 5.173 6.976 ( -0.000 -0.130 5.171) 5.173 7.034 ( 0.000 0.670 -11.648) 11.667 7.034 ( 0.000 0.670 11.648) 11.667 7.855 ( -0.000 -13.529 -6.218) 14.889 7.855 ( -0.000 -13.529 6.218) 14.889 8.656 ( -0.000 -16.286 -13.452) 21.123 8.656 ( -0.000 -16.286 13.452) 21.123 9.409 ( -0.000 -0.114 -1.006) 1.012 9.409 ( -0.000 -0.114 1.006) 1.012 10.230 ( 0.000 12.067 -8.393) 14.699 10.230 ( 0.000 12.067 8.393) 14.699 19.069 ( -0.000 -11.749 -3.368) 12.222 19.069 ( -0.000 -11.749 3.368) 12.222 19.087 ( -0.000 -0.022 -0.030) 0.037 19.087 ( -0.000 -0.022 0.030) 0.037 19.447 ( 0.000 0.256 -0.673) 0.721 19.447 ( 0.000 0.256 0.673) 0.721 19.681 ( 0.000 4.347 -0.718) 4.406 19.681 ( 0.000 4.347 0.718) 4.406 20.029 ( 0.000 8.945 -11.947) 14.925 20.029 ( 0.000 8.945 11.947) 14.925 22.231 ( -0.000 -5.332 -1.939) 5.674 22.231 ( -0.000 -5.332 1.939) 5.674 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 7.057 0.000 -4.607) 8.428 1.359 ( 7.057 0.000 4.607) 8.428 1.449 ( 9.980 0.000 -1.384) 10.075 1.449 ( 9.980 0.000 1.384) 10.075 1.685 ( 4.859 0.000 -0.818) 4.927 1.685 ( 4.859 0.000 0.818) 4.927 1.848 ( -2.081 -0.000 -0.981) 2.301 1.848 ( -2.081 -0.000 0.981) 2.301 1.879 ( -2.186 -0.000 -3.259) 3.925 1.879 ( -2.186 -0.000 3.259) 3.925 1.920 ( 1.465 0.000 -2.142) 2.595 1.920 ( 1.465 0.000 2.142) 2.595 1.963 ( -4.306 -0.000 -1.609) 4.597 1.963 ( -4.306 -0.000 1.609) 4.597 2.122 ( -1.645 -0.000 -3.542) 3.906 2.122 ( -1.645 -0.000 3.542) 3.906 2.182 ( -1.182 -0.000 -2.799) 3.038 2.182 ( -1.182 -0.000 2.799) 3.038 2.480 ( 10.687 0.000 -3.252) 11.171 2.480 ( 10.687 0.000 3.252) 11.171 2.528 ( -3.841 -0.000 -8.808) 9.609 2.528 ( -3.841 -0.000 8.808) 9.609 2.637 ( 1.132 0.000 -0.832) 1.405 2.637 ( 1.132 0.000 0.832) 1.405 2.873 ( 0.808 0.000 -4.496) 4.568 2.873 ( 0.808 0.000 4.496) 4.568 3.204 ( -3.008 -0.000 -4.550) 5.454 3.204 ( -3.008 -0.000 4.550) 5.454 3.295 ( -1.587 -0.000 -1.425) 2.133 3.295 ( -1.587 -0.000 1.425) 2.133 3.360 ( 0.629 0.000 -0.512) 0.811 3.360 ( 0.629 0.000 0.512) 0.811 3.978 ( 2.977 0.000 -5.223) 6.012 3.978 ( 2.977 0.000 5.223) 6.012 4.269 ( -1.030 -0.000 -1.976) 2.229 4.269 ( -1.030 -0.000 1.976) 2.229 4.899 ( 17.358 0.000 -2.342) 17.516 4.899 ( 17.358 0.000 2.342) 17.516 5.112 ( -7.699 -0.000 -1.264) 7.802 5.112 ( -7.699 -0.000 1.264) 7.802 5.339 ( 4.185 0.000 -3.756) 5.623 5.339 ( 4.185 0.000 3.756) 5.623 5.542 ( -2.452 -0.000 -4.071) 4.753 5.542 ( -2.452 -0.000 4.071) 4.753 5.789 ( 7.470 0.000 -1.713) 7.664 5.789 ( 7.470 0.000 1.713) 7.664 5.935 ( -18.223 -0.000 -1.337) 18.272 5.935 ( -18.223 -0.000 1.337) 18.272 6.563 ( 11.633 0.000 -20.705) 23.749 6.563 ( 11.633 0.000 20.705) 23.749 7.110 ( -6.114 -0.000 -22.066) 22.897 7.110 ( -6.114 -0.000 22.066) 22.897 8.285 ( -0.881 -0.000 -3.071) 3.195 8.285 ( -0.881 -0.000 3.071) 3.195 8.403 ( -4.992 -0.000 -2.303) 5.498 8.403 ( -4.992 -0.000 2.303) 5.498 9.942 ( -2.355 -0.000 -4.448) 5.033 9.942 ( -2.355 -0.000 4.448) 5.033 9.986 ( 7.297 0.000 -5.357) 9.052 9.986 ( 7.297 0.000 5.357) 9.052 18.770 ( -0.227 -0.000 -0.173) 0.286 18.770 ( -0.227 -0.000 0.173) 0.286 19.035 ( -5.635 -0.000 -1.678) 5.879 19.035 ( -5.635 -0.000 1.678) 5.879 19.450 ( -0.487 -0.000 -1.089) 1.193 19.450 ( -0.487 -0.000 1.089) 1.193 19.596 ( 5.246 0.000 -3.472) 6.291 19.596 ( 5.246 0.000 3.472) 6.291 21.304 ( 15.125 0.000 -3.720) 15.576 21.304 ( 15.125 0.000 3.720) 15.576 21.490 ( -14.435 -0.000 -0.361) 14.439 21.490 ( -14.435 -0.000 0.361) 14.439 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 1.954 4.329 -7.720) 9.064 1.415 ( 1.954 4.329 7.720) 9.064 1.593 ( 0.962 -3.022 -3.289) 4.569 1.593 ( 0.962 -3.022 3.289) 4.569 1.706 ( -3.864 1.254 -0.778) 4.136 1.706 ( -3.864 1.254 0.778) 4.136 1.788 ( -0.619 1.135 -2.360) 2.691 1.788 ( -0.619 1.135 2.360) 2.691 1.830 ( 0.827 1.982 -1.896) 2.865 1.830 ( 0.827 1.982 1.896) 2.865 1.930 ( 2.887 -0.612 -3.572) 4.633 1.930 ( 2.887 -0.612 3.572) 4.633 2.005 ( 3.279 -2.533 -2.869) 5.040 2.005 ( 3.279 -2.533 2.869) 5.040 2.145 ( 1.491 -2.068 -5.136) 5.734 2.145 ( 1.491 -2.068 5.136) 5.734 2.166 ( 0.078 1.889 -3.405) 3.895 2.166 ( 0.078 1.889 3.405) 3.895 2.413 ( -5.615 -1.092 -2.638) 6.299 2.413 ( -5.614 -1.092 2.638) 6.299 2.628 ( 3.695 -1.750 -1.548) 4.372 2.628 ( 3.695 -1.750 1.548) 4.372 2.711 ( 4.669 0.106 -3.729) 5.977 2.711 ( 4.669 0.106 3.729) 5.977 2.903 ( 2.433 0.549 -3.391) 4.210 2.903 ( 2.433 0.549 3.391) 4.210 3.124 ( -5.051 2.462 -3.606) 6.676 3.124 ( -5.051 2.462 3.606) 6.676 3.233 ( -4.193 -0.435 -5.580) 6.993 3.233 ( -4.193 -0.435 5.580) 6.993 3.374 ( 1.263 1.076 -2.080) 2.661 3.374 ( 1.263 1.076 2.080) 2.661 4.008 ( -0.920 -2.901 -2.575) 3.987 4.008 ( -0.920 -2.901 2.575) 3.987 4.201 ( -5.695 0.945 -2.612) 6.336 4.201 ( -5.695 0.945 2.612) 6.336 4.877 ( -16.531 0.109 -2.927) 16.788 4.877 ( -16.531 0.109 2.927) 16.788 5.111 ( 4.129 -0.251 -0.300) 4.148 5.111 ( 4.129 -0.251 0.300) 4.148 5.366 ( -6.233 0.102 -3.123) 6.972 5.366 ( -6.233 0.102 3.123) 6.972 5.501 ( -6.593 0.182 -2.627) 7.099 5.501 ( -6.593 0.182 2.627) 7.099 5.606 ( 0.495 -1.445 -2.016) 2.529 5.606 ( 0.495 -1.445 2.016) 2.529 6.095 ( 17.293 0.913 -1.563) 17.388 6.095 ( 17.293 0.913 1.563) 17.388 6.753 ( 6.861 -1.602 -19.882) 21.094 6.753 ( 6.861 -1.602 19.882) 21.094 6.977 ( -6.189 2.145 -21.825) 22.787 6.977 ( -6.189 2.145 21.825) 22.787 8.193 ( -6.872 2.149 -2.463) 7.610 8.193 ( -6.872 2.149 2.463) 7.610 8.305 ( -7.626 -3.000 -2.080) 8.455 8.305 ( -7.626 -3.000 2.080) 8.455 9.871 ( -5.351 -0.819 -4.740) 7.195 9.871 ( -5.351 -0.819 4.740) 7.195 10.134 ( 8.501 1.123 -5.081) 9.967 10.134 ( 8.501 1.123 5.081) 9.967 18.777 ( 0.252 -0.997 -1.791) 2.065 18.777 ( 0.252 -0.997 1.791) 2.065 18.946 ( -2.697 1.426 -0.157) 3.054 18.946 ( -2.697 1.426 0.157) 3.054 19.459 ( 0.506 -1.153 -0.289) 1.292 19.459 ( 0.506 -1.153 0.289) 1.292 19.707 ( 7.168 1.043 -4.836) 8.710 19.707 ( 7.168 1.043 4.836) 8.710 21.194 ( -18.337 -0.738 -1.595) 18.421 21.194 ( -18.337 -0.738 1.595) 18.421 21.547 ( 11.814 0.402 -1.764) 11.952 21.547 ( 11.814 0.402 1.764) 11.952 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -4.347 6.193 -4.117) 8.614 1.347 ( -4.347 6.193 4.117) 8.614 1.525 ( -4.605 3.583 -2.288) 6.267 1.525 ( -4.605 3.583 2.288) 6.267 1.647 ( -1.613 -0.085 -0.752) 1.782 1.647 ( -1.613 -0.085 0.752) 1.782 1.771 ( 1.582 3.420 -0.723) 3.837 1.771 ( 1.582 3.420 0.723) 3.837 1.877 ( 0.384 -1.798 -1.382) 2.300 1.877 ( 0.384 -1.798 1.382) 2.300 1.984 ( -0.717 -1.366 -5.291) 5.511 1.984 ( -0.717 -1.366 5.291) 5.511 2.071 ( 0.788 -3.417 -6.682) 7.546 2.071 ( 0.788 -3.417 6.682) 7.546 2.176 ( 4.988 1.410 -3.118) 6.049 2.176 ( 4.988 1.410 3.118) 6.049 2.187 ( 1.699 -0.835 -2.000) 2.754 2.187 ( 1.699 -0.835 2.000) 2.754 2.387 ( 0.108 -2.407 -3.333) 4.112 2.387 ( 0.108 -2.407 3.333) 4.112 2.644 ( -1.493 1.792 -4.617) 5.172 2.644 ( -1.493 1.792 4.617) 5.172 2.785 ( 0.983 -1.201 -4.048) 4.335 2.785 ( 0.983 -1.201 4.048) 4.335 2.849 ( -3.828 8.970 -7.337) 12.204 2.849 ( -3.828 8.970 7.337) 12.205 3.056 ( -0.222 -2.819 -1.277) 3.103 3.056 ( -0.222 -2.819 1.277) 3.103 3.185 ( -2.703 -2.926 -4.699) 6.160 3.185 ( -2.703 -2.926 4.699) 6.160 3.385 ( 1.316 1.711 -1.898) 2.874 3.385 ( 1.316 1.711 1.898) 2.874 3.986 ( -5.674 -2.953 -2.382) 6.826 3.986 ( -5.674 -2.953 2.382) 6.826 4.053 ( -9.608 -0.570 -2.349) 9.908 4.053 ( -9.608 -0.570 2.349) 9.908 4.517 ( -20.213 -0.316 -2.447) 20.363 4.517 ( -20.213 -0.316 2.447) 20.363 5.068 ( -10.421 -0.780 -1.598) 10.572 5.068 ( -10.421 -0.780 1.598) 10.572 5.185 ( -6.413 -1.611 -1.222) 6.724 5.185 ( -6.413 -1.611 1.222) 6.724 5.480 ( 1.143 -1.509 -1.704) 2.547 5.480 ( 1.143 -1.509 1.704) 2.547 5.717 ( 7.031 0.246 -5.512) 8.937 5.717 ( 7.031 0.246 5.512) 8.937 6.385 ( 11.838 1.430 -3.489) 12.424 6.385 ( 11.838 1.430 3.489) 12.424 6.724 ( -4.681 4.082 -16.806) 17.917 6.724 ( -4.681 4.082 16.806) 17.917 6.982 ( 5.081 -2.334 -15.459) 16.439 6.982 ( 5.081 -2.334 15.459) 16.439 8.019 ( -10.731 1.065 -1.017) 10.832 8.019 ( -10.731 1.065 1.017) 10.832 8.186 ( -8.563 -6.485 -2.772) 11.094 8.186 ( -8.563 -6.485 2.772) 11.094 9.760 ( -7.548 -0.955 -4.443) 8.811 9.760 ( -7.548 -0.955 4.443) 8.811 10.269 ( 8.076 2.902 -4.571) 9.723 10.269 ( 8.076 2.902 4.571) 9.723 18.786 ( -0.674 -1.710 -2.002) 2.718 18.786 ( -0.674 -1.710 2.002) 2.718 18.925 ( 1.529 0.743 -0.707) 1.841 18.925 ( 1.529 0.743 0.707) 1.841 19.480 ( 0.899 -0.358 -0.521) 1.099 19.480 ( 0.899 -0.358 0.521) 1.099 19.831 ( 7.972 2.935 -6.372) 10.620 19.831 ( 7.972 2.935 6.372) 10.620 20.833 ( -22.029 -2.175 -2.364) 22.262 20.833 ( -22.029 -2.175 2.364) 22.262 21.739 ( 9.470 0.114 -0.649) 9.492 21.739 ( 9.470 0.114 0.649) 9.492 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -5.590 6.961 -9.571) 13.089 1.187 ( -5.590 6.961 9.571) 13.089 1.374 ( -6.969 8.859 -5.818) 12.684 1.374 ( -6.969 8.859 5.818) 12.684 1.639 ( 0.949 2.037 -1.162) 2.530 1.639 ( 0.949 2.037 1.162) 2.530 1.767 ( -0.383 1.980 -2.958) 3.580 1.767 ( -0.383 1.980 2.958) 3.580 1.833 ( -4.954 -0.977 -3.413) 6.095 1.833 ( -4.954 -0.977 3.413) 6.095 1.949 ( -2.612 -0.871 -2.360) 3.627 1.949 ( -2.612 -0.871 2.360) 3.627 2.085 ( -2.909 -0.342 -2.995) 4.189 2.085 ( -2.909 -0.342 2.995) 4.189 2.248 ( 2.222 -2.448 -2.353) 4.058 2.248 ( 2.222 -2.448 2.353) 4.058 2.270 ( 5.089 0.245 -3.179) 6.005 2.270 ( 5.089 0.245 3.179) 6.005 2.414 ( 2.270 1.569 -2.717) 3.873 2.414 ( 2.270 1.569 2.717) 3.873 2.542 ( -4.073 7.041 -5.567) 9.857 2.542 ( -4.073 7.041 5.567) 9.857 2.681 ( -2.257 1.445 -3.396) 4.326 2.681 ( -2.257 1.445 3.396) 4.326 2.862 ( 2.420 -0.201 -4.884) 5.454 2.862 ( 2.420 -0.201 4.884) 5.454 3.073 ( -1.952 -2.691 -0.873) 3.436 3.073 ( -1.952 -2.691 0.873) 3.436 3.175 ( -2.142 -4.372 -3.860) 6.213 3.175 ( -2.142 -4.372 3.860) 6.213 3.397 ( 1.937 1.624 -2.456) 3.525 3.397 ( 1.937 1.624 2.456) 3.525 3.780 ( -17.476 0.238 -2.670) 17.681 3.780 ( -17.476 0.238 2.670) 17.681 3.879 ( -9.384 -1.376 -2.957) 9.935 3.879 ( -9.384 -1.376 2.957) 9.935 4.283 ( -6.189 -4.035 -4.228) 8.512 4.283 ( -6.189 -4.035 4.228) 8.512 4.854 ( -12.538 -2.015 -1.188) 12.754 4.854 ( -12.538 -2.015 1.188) 12.754 5.099 ( -6.581 -2.175 -4.141) 8.074 5.099 ( -6.581 -2.175 4.141) 8.074 5.538 ( 3.053 -2.544 -1.696) 4.321 5.538 ( 3.053 -2.544 1.696) 4.321 5.832 ( 5.752 1.149 -6.263) 8.580 5.832 ( 5.752 1.149 6.263) 8.580 6.340 ( -8.833 3.998 -12.166) 15.557 6.340 ( -8.833 3.998 12.166) 15.557 6.779 ( 10.191 2.838 -4.113) 11.350 6.779 ( 10.191 2.838 4.113) 11.350 7.083 ( 2.285 -3.271 -13.106) 13.700 7.083 ( 2.285 -3.271 13.106) 13.700 7.786 ( -14.999 -3.852 -5.922) 16.580 7.786 ( -14.999 -3.852 5.922) 16.580 8.153 ( -1.263 -7.679 -9.423) 12.221 8.153 ( -1.263 -7.679 9.423) 12.221 9.617 ( -8.587 -0.958 -3.159) 9.200 9.617 ( -8.587 -0.958 3.159) 9.200 10.374 ( 6.880 4.665 -5.041) 9.721 10.374 ( 6.880 4.665 5.041) 9.721 18.792 ( -0.389 -2.453 -1.052) 2.697 18.792 ( -0.389 -2.453 1.052) 2.697 18.976 ( 3.535 -0.497 -0.720) 3.642 18.976 ( 3.535 -0.497 0.720) 3.642 19.492 ( 0.554 0.894 -0.862) 1.360 19.492 ( 0.554 0.894 0.862) 1.360 19.927 ( 5.478 5.331 -7.050) 10.399 19.927 ( 5.478 5.331 7.050) 10.399 20.453 ( -20.716 -3.643 -4.203) 21.450 20.453 ( -20.716 -3.643 4.203) 21.450 21.899 ( 7.678 -1.055 -1.867) 7.972 21.899 ( 7.678 -1.055 1.867) 7.972 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -3.534 8.536 -12.389) 15.454 1.037 ( -3.534 8.536 12.389) 15.454 1.087 ( -13.792 10.221 -6.867) 18.490 1.087 ( -13.792 10.221 6.867) 18.490 1.605 ( 0.143 7.654 -0.741) 7.691 1.605 ( 0.143 7.654 0.741) 7.691 1.703 ( -2.329 5.132 -2.310) 6.091 1.703 ( -2.329 5.132 2.310) 6.091 1.806 ( -2.390 -5.149 -5.528) 7.924 1.806 ( -2.390 -5.149 5.528) 7.924 1.866 ( -3.916 3.189 -9.304) 10.586 1.866 ( -3.916 3.189 9.304) 10.586 2.006 ( -1.171 6.926 -3.604) 7.895 2.006 ( -1.171 6.926 3.604) 7.895 2.269 ( 0.733 0.800 -3.242) 3.418 2.269 ( 0.733 0.800 3.242) 3.418 2.358 ( 3.425 -0.740 -2.383) 4.237 2.358 ( 3.425 -0.740 2.383) 4.237 2.444 ( -1.829 1.999 -2.146) 3.457 2.444 ( -1.829 1.999 2.146) 3.457 2.475 ( 3.560 -2.207 -4.094) 5.857 2.475 ( 3.560 -2.207 4.094) 5.857 2.668 ( -0.892 -0.831 -0.493) 1.315 2.668 ( -0.892 -0.831 0.493) 1.315 2.898 ( 1.518 -0.288 -3.180) 3.535 2.898 ( 1.518 -0.288 3.180) 3.535 3.023 ( -4.301 -0.406 -1.436) 4.553 3.023 ( -4.301 -0.406 1.436) 4.553 3.184 ( -1.395 -5.103 -2.948) 6.056 3.184 ( -1.395 -5.103 2.948) 6.056 3.426 ( -1.009 0.282 -3.267) 3.431 3.426 ( -1.009 0.282 3.267) 3.431 3.484 ( -8.561 -0.185 -3.929) 9.421 3.484 ( -8.561 -0.185 3.929) 9.421 3.765 ( -3.542 0.330 -4.840) 6.006 3.765 ( -3.542 0.330 4.840) 6.006 4.277 ( -0.860 -5.611 -4.340) 7.146 4.277 ( -0.860 -5.611 4.340) 7.146 4.665 ( -9.358 -1.952 -3.908) 10.327 4.665 ( -9.358 -1.952 3.908) 10.327 4.971 ( -8.485 -1.625 -7.698) 11.571 4.971 ( -8.485 -1.625 7.698) 11.571 5.623 ( 2.533 -3.491 -1.152) 4.465 5.623 ( 2.533 -3.491 1.152) 4.465 5.890 ( 2.366 2.765 -0.906) 3.751 5.890 ( 2.366 2.765 0.906) 3.751 6.194 ( -2.584 1.943 -3.290) 4.612 6.194 ( -2.584 1.943 3.290) 4.612 6.909 ( 5.792 1.576 -4.581) 7.551 6.909 ( 5.792 1.576 4.581) 7.551 7.107 ( -2.149 -1.424 -11.244) 11.535 7.107 ( -2.149 -1.424 11.244) 11.535 7.587 ( -11.517 -9.588 -8.955) 17.458 7.587 ( -11.517 -9.588 8.955) 17.458 8.265 ( 4.141 -9.154 -14.960) 18.020 8.265 ( 4.141 -9.154 14.960) 18.020 9.476 ( -6.962 -0.689 -0.850) 7.048 9.476 ( -6.962 -0.689 0.850) 7.048 10.433 ( 4.424 6.176 -7.264) 10.511 10.433 ( 4.424 6.176 7.264) 10.511 18.824 ( 0.682 -4.460 -2.350) 5.087 18.824 ( 0.682 -4.460 2.350) 5.087 19.048 ( 3.297 -0.826 -0.643) 3.459 19.048 ( 3.297 -0.826 0.643) 3.459 19.482 ( -0.420 1.488 -0.588) 1.654 19.482 ( -0.420 1.488 0.588) 1.654 19.878 ( -6.122 4.989 -2.362) 8.243 19.878 ( -6.122 4.989 2.362) 8.243 20.217 ( -5.875 -0.392 -11.544) 12.959 20.217 ( -5.875 -0.392 11.544) 12.959 22.039 ( 5.266 -3.243 -3.256) 6.990 22.039 ( 5.266 -3.243 3.256) 6.990 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 10.682 -9.297) 14.161 0.809 ( 0.000 10.682 9.297) 14.161 0.927 ( 0.000 10.203 -13.884) 17.230 0.927 ( 0.000 10.203 13.884) 17.230 1.557 ( 0.000 11.182 -14.817) 18.563 1.557 ( 0.000 11.182 14.817) 18.563 1.561 ( 0.000 9.592 -4.502) 10.596 1.561 ( 0.000 9.592 4.502) 10.596 1.793 ( 0.000 5.790 -8.018) 9.889 1.793 ( 0.000 5.790 8.018) 9.889 1.837 ( -0.000 -6.651 -4.517) 8.040 1.837 ( -0.000 -6.651 4.517) 8.040 1.946 ( 0.000 3.879 -5.292) 6.561 1.946 ( 0.000 3.879 5.292) 6.561 2.274 ( -0.000 -0.120 -3.043) 3.045 2.274 ( -0.000 -0.120 3.043) 3.045 2.375 ( 0.000 2.551 -4.828) 5.461 2.375 ( 0.000 2.551 4.828) 5.461 2.445 ( -0.000 -2.795 -3.431) 4.426 2.445 ( -0.000 -2.795 3.431) 4.426 2.556 ( -0.000 -3.664 -3.498) 5.066 2.556 ( -0.000 -3.664 3.498) 5.066 2.634 ( 0.000 1.778 -3.147) 3.614 2.634 ( 0.000 1.778 3.147) 3.614 2.935 ( -0.000 -2.533 -2.089) 3.283 2.935 ( -0.000 -2.533 2.089) 3.283 2.962 ( 0.000 1.052 -2.721) 2.918 2.962 ( 0.000 1.052 2.721) 2.918 3.215 ( -0.000 -4.659 -2.205) 5.155 3.215 ( -0.000 -4.659 2.205) 5.155 3.341 ( -0.000 -0.093 -6.387) 6.388 3.341 ( -0.000 -0.093 6.387) 6.388 3.500 ( -0.000 -1.574 -6.706) 6.889 3.500 ( -0.000 -1.574 6.706) 6.889 3.728 ( 0.000 1.679 -5.346) 5.604 3.728 ( 0.000 1.679 5.346) 5.604 4.320 ( -0.000 -4.852 -3.368) 5.906 4.320 ( -0.000 -4.852 3.368) 5.906 4.579 ( -0.000 -1.109 -6.073) 6.174 4.579 ( -0.000 -1.109 6.073) 6.174 4.883 ( -0.000 -0.676 -7.581) 7.611 4.883 ( -0.000 -0.676 7.581) 7.611 5.672 ( -0.000 -2.136 -0.709) 2.250 5.672 ( -0.000 -2.136 0.709) 2.250 5.892 ( 0.000 1.706 -3.818) 4.182 5.892 ( 0.000 1.706 3.818) 4.182 6.175 ( 0.000 0.459 -12.588) 12.597 6.175 ( 0.000 0.459 12.588) 12.597 6.973 ( -0.000 -0.176 -5.217) 5.220 6.973 ( -0.000 -0.176 5.217) 5.220 7.054 ( 0.000 1.510 -11.929) 12.024 7.054 ( 0.000 1.510 11.929) 12.024 7.584 ( -0.000 -14.384 -9.849) 17.433 7.584 ( -0.000 -14.384 9.849) 17.433 8.409 ( -0.000 -11.449 -18.100) 21.417 8.409 ( -0.000 -11.449 18.100) 21.417 9.407 ( -0.000 -0.178 -1.027) 1.043 9.407 ( -0.000 -0.178 1.027) 1.043 10.413 ( 0.000 8.099 -9.510) 12.492 10.413 ( 0.000 8.099 9.510) 12.492 18.891 ( -0.000 -7.777 -3.327) 8.458 18.891 ( -0.000 -7.777 3.327) 8.458 19.087 ( -0.000 -0.033 -0.045) 0.056 19.087 ( -0.000 -0.033 0.045) 0.056 19.462 ( 0.000 1.199 -0.207) 1.216 19.462 ( 0.000 1.199 0.207) 1.216 19.750 ( 0.000 3.834 -0.643) 3.887 19.750 ( 0.000 3.834 0.643) 3.887 20.158 ( 0.000 4.873 -15.160) 15.924 20.158 ( 0.000 4.873 15.160) 15.924 22.132 ( -0.000 -5.196 -3.636) 6.341 22.132 ( -0.000 -5.196 3.636) 6.341 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -5.081 -0.000 -6.751) 8.450 1.415 ( -5.081 -0.000 6.751) 8.450 1.545 ( -1.992 -0.000 -3.211) 3.779 1.545 ( -1.992 -0.000 3.211) 3.779 1.657 ( -0.844 -0.000 -0.381) 0.926 1.657 ( -0.844 -0.000 0.381) 0.926 1.826 ( 1.657 0.000 -2.179) 2.738 1.826 ( 1.657 0.000 2.179) 2.738 1.845 ( 0.889 0.000 -0.177) 0.906 1.845 ( 0.889 0.000 0.178) 0.906 1.958 ( -1.976 -0.000 -3.519) 4.036 1.958 ( -1.976 -0.000 3.519) 4.036 2.023 ( 1.513 0.000 -7.561) 7.711 2.023 ( 1.513 0.000 7.561) 7.711 2.175 ( 0.285 0.000 -1.196) 1.229 2.175 ( 0.285 0.000 1.196) 1.229 2.220 ( 4.068 0.000 -1.630) 4.382 2.220 ( 4.068 0.000 1.630) 4.382 2.350 ( 1.463 0.000 -4.674) 4.898 2.350 ( 1.463 0.000 4.674) 4.898 2.648 ( -0.275 -0.000 -3.890) 3.899 2.648 ( -0.275 -0.000 3.890) 3.899 2.783 ( 2.473 0.000 -5.706) 6.219 2.783 ( 2.473 0.000 5.706) 6.219 2.950 ( 1.341 0.000 -3.136) 3.410 2.950 ( 1.341 0.000 3.136) 3.410 3.026 ( -6.547 -0.000 -4.650) 8.030 3.026 ( -6.547 -0.000 4.650) 8.030 3.150 ( -3.377 -0.000 -2.416) 4.152 3.150 ( -3.377 -0.000 2.416) 4.152 3.401 ( 1.218 0.000 -1.844) 2.210 3.401 ( 1.218 0.000 1.844) 2.210 3.947 ( -4.188 -0.000 -0.105) 4.189 3.947 ( -4.188 -0.000 0.105) 4.189 4.054 ( -10.930 -0.000 -2.249) 11.159 4.054 ( -10.930 -0.000 2.249) 11.159 4.514 ( -20.841 -0.000 -2.167) 20.953 4.514 ( -20.841 -0.000 2.167) 20.953 5.061 ( -10.962 -0.000 -1.765) 11.104 5.061 ( -10.962 -0.000 1.765) 11.104 5.169 ( -6.706 -0.000 -0.524) 6.727 5.169 ( -6.706 -0.000 0.524) 6.727 5.466 ( 1.199 0.000 -2.141) 2.454 5.466 ( 1.199 0.000 2.141) 2.454 5.720 ( 7.311 0.000 -5.755) 9.305 5.720 ( 7.311 0.000 5.755) 9.305 6.398 ( 12.005 0.000 -3.204) 12.425 6.398 ( 12.005 0.000 3.204) 12.425 6.760 ( -3.737 -0.000 -19.072) 19.435 6.760 ( -3.737 -0.000 19.072) 19.435 6.963 ( 3.900 0.000 -16.634) 17.085 6.963 ( 3.900 0.000 16.634) 17.085 8.075 ( -12.402 -0.000 -3.750) 12.956 8.075 ( -12.402 -0.000 3.750) 12.956 8.081 ( -8.273 -0.000 -6.237) 10.361 8.081 ( -8.273 -0.000 6.237) 10.361 9.751 ( -7.362 -0.000 -4.162) 8.457 9.751 ( -7.362 -0.000 4.162) 8.457 10.296 ( 8.321 0.000 -4.209) 9.325 10.296 ( 8.321 0.000 4.209) 9.325 18.770 ( -0.606 -0.000 -2.501) 2.573 18.770 ( -0.606 -0.000 2.501) 2.573 18.934 ( 0.902 0.000 -0.778) 1.192 18.934 ( 0.902 0.000 0.778) 1.192 19.477 ( 1.599 0.000 -0.719) 1.754 19.477 ( 1.599 0.000 0.719) 1.754 19.858 ( 8.371 0.000 -6.876) 10.833 19.858 ( 8.371 0.000 6.876) 10.833 20.812 ( -22.440 -0.000 -1.862) 22.517 20.812 ( -22.440 -0.000 1.862) 22.517 21.740 ( 9.119 0.000 -0.271) 9.123 21.740 ( 9.119 0.000 0.271) 9.123 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -5.770 3.358 -7.830) 10.290 1.285 ( -5.770 3.358 7.830) 10.290 1.506 ( -2.528 4.845 -4.981) 7.395 1.506 ( -2.528 4.845 4.981) 7.395 1.644 ( -2.163 -1.070 -3.791) 4.494 1.644 ( -2.163 -1.070 3.791) 4.494 1.815 ( -1.258 3.132 -2.176) 4.016 1.815 ( -1.258 3.132 2.176) 4.016 1.852 ( -1.663 2.156 -1.237) 2.990 1.852 ( -1.663 2.156 1.237) 2.990 1.904 ( -1.573 -3.455 -2.103) 4.340 1.904 ( -1.573 -3.455 2.103) 4.340 2.039 ( -1.037 -3.110 -3.729) 4.965 2.039 ( -1.037 -3.110 3.729) 4.965 2.187 ( 1.205 -2.180 -4.784) 5.394 2.187 ( 1.205 -2.180 4.784) 5.394 2.295 ( 4.215 1.095 -1.690) 4.671 2.295 ( 4.215 1.095 1.690) 4.671 2.424 ( 3.810 -0.211 -4.340) 5.779 2.424 ( 3.810 -0.211 4.340) 5.779 2.629 ( -0.978 1.499 -3.085) 3.566 2.629 ( -0.978 1.499 3.085) 3.566 2.751 ( -4.596 4.359 -8.972) 10.983 2.751 ( -4.596 4.359 8.972) 10.983 2.895 ( 0.519 4.563 -6.520) 7.975 2.895 ( 0.519 4.563 6.520) 7.975 3.009 ( -0.725 -4.826 -4.349) 6.537 3.009 ( -0.725 -4.826 4.349) 6.537 3.109 ( -2.928 -2.485 -1.895) 4.282 3.109 ( -2.928 -2.485 1.895) 4.282 3.421 ( 1.473 0.812 -2.329) 2.873 3.421 ( 1.473 0.812 2.329) 2.873 3.781 ( -18.125 -0.051 -3.499) 18.460 3.781 ( -18.125 -0.051 3.499) 18.460 3.850 ( -7.076 -1.288 -1.394) 7.326 3.850 ( -7.076 -1.288 1.394) 7.326 4.229 ( -8.942 -1.651 -3.387) 9.703 4.229 ( -8.942 -1.651 3.387) 9.703 4.829 ( -12.602 -0.709 -0.733) 12.643 4.829 ( -12.602 -0.709 0.733) 12.643 5.071 ( -6.277 -0.864 -3.766) 7.371 5.071 ( -6.277 -0.864 3.766) 7.371 5.505 ( 2.370 -1.033 -2.134) 3.352 5.505 ( 2.370 -1.033 2.134) 3.352 5.843 ( 6.132 0.269 -7.090) 9.378 5.843 ( 6.132 0.269 7.090) 9.378 6.390 ( -8.988 1.460 -12.032) 15.089 6.390 ( -8.988 1.460 12.032) 15.089 6.818 ( 8.753 1.313 -5.534) 10.438 6.818 ( 8.753 1.313 5.534) 10.438 7.038 ( 2.668 -1.507 -12.608) 12.976 7.038 ( 2.668 -1.507 12.608) 12.976 7.766 ( -16.967 0.587 -5.431) 17.825 7.766 ( -16.967 0.587 5.431) 17.825 8.040 ( -0.556 -4.212 -9.167) 10.104 8.040 ( -0.556 -4.212 9.167) 10.104 9.606 ( -8.339 -0.349 -2.690) 8.769 9.606 ( -8.339 -0.349 2.690) 8.769 10.430 ( 6.853 1.579 -3.642) 7.919 10.430 ( 6.853 1.579 3.642) 7.919 18.759 ( -0.806 -0.981 -1.614) 2.053 18.759 ( -0.806 -0.981 1.614) 2.053 18.975 ( 3.370 0.140 -0.548) 3.417 18.975 ( 3.370 0.140 0.548) 3.417 19.504 ( 1.212 0.362 -1.186) 1.734 19.504 ( 1.212 0.362 1.186) 1.734 19.996 ( 6.793 2.139 -8.855) 11.364 19.996 ( 6.793 2.139 8.855) 11.364 20.402 ( -21.564 -1.735 -2.008) 21.726 20.402 ( -21.564 -1.735 2.008) 21.726 21.887 ( 6.766 -0.361 -1.162) 6.875 21.887 ( 6.766 -0.361 1.162) 6.875 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.671 5.866 -11.531) 13.210 1.167 ( -2.671 5.866 11.531) 13.210 1.273 ( -13.342 10.017 -6.369) 17.858 1.273 ( -13.342 10.017 6.369) 17.858 1.631 ( -1.988 -6.459 -4.277) 7.998 1.631 ( -1.988 -6.459 4.277) 7.998 1.766 ( -0.009 4.757 -0.496) 4.783 1.766 ( -0.009 4.757 0.496) 4.783 1.807 ( 0.712 5.225 -1.682) 5.535 1.807 ( 0.712 5.225 1.682) 5.535 1.915 ( -0.410 1.482 -8.044) 8.190 1.915 ( -0.410 1.482 8.044) 8.190 2.050 ( -0.221 -1.952 -3.503) 4.016 2.050 ( -0.221 -1.952 3.503) 4.016 2.242 ( 1.086 -4.034 -4.833) 6.388 2.242 ( 1.086 -4.034 4.833) 6.388 2.347 ( 1.720 -0.625 -2.487) 3.088 2.347 ( 1.720 -0.625 2.487) 3.088 2.451 ( -0.441 -0.162 -2.627) 2.669 2.451 ( -0.441 -0.162 2.627) 2.669 2.557 ( -1.226 9.862 -5.293) 11.259 2.557 ( -1.226 9.862 5.293) 11.259 2.673 ( 0.031 1.131 -0.802) 1.387 2.673 ( 0.031 1.131 0.802) 1.387 2.899 ( 1.417 0.450 -5.905) 6.090 2.899 ( 1.417 0.450 5.905) 6.090 3.016 ( -2.093 -0.781 -0.834) 2.384 3.016 ( -2.093 -0.781 0.834) 2.384 3.089 ( -2.030 -5.304 -4.216) 7.073 3.089 ( -2.030 -5.304 4.216) 7.073 3.436 ( -2.284 0.670 -2.991) 3.823 3.436 ( -2.284 0.670 2.991) 3.823 3.483 ( -8.708 0.049 -3.617) 9.429 3.483 ( -8.708 0.049 3.617) 9.429 3.753 ( -3.960 -1.353 -2.708) 4.985 3.753 ( -3.960 -1.353 2.708) 4.985 4.177 ( -1.636 -4.853 -5.538) 7.543 4.177 ( -1.636 -4.853 5.538) 7.543 4.637 ( -8.653 -1.157 -3.496) 9.404 4.637 ( -8.653 -1.157 3.496) 9.404 4.947 ( -7.329 -0.950 -7.374) 10.440 4.947 ( -7.329 -0.950 7.374) 10.440 5.564 ( 2.027 -2.626 -1.828) 3.787 5.564 ( 2.027 -2.626 1.828) 3.787 5.925 ( 2.940 1.200 -1.569) 3.542 5.925 ( 2.940 1.200 1.569) 3.542 6.225 ( -5.150 1.402 -1.585) 5.568 6.225 ( -5.150 1.402 1.585) 5.568 6.933 ( 4.301 1.010 -4.642) 6.408 6.933 ( 4.301 1.010 4.642) 6.408 7.079 ( 0.240 -1.624 -9.943) 10.078 7.079 ( 0.240 -1.624 9.943) 10.078 7.489 ( -12.433 -1.934 -6.512) 14.168 7.489 ( -12.433 -1.934 6.512) 14.168 8.125 ( 3.768 -6.190 -13.787) 15.576 8.125 ( 3.768 -6.190 13.787) 15.576 9.467 ( -6.444 -0.352 -0.485) 6.472 9.467 ( -6.444 -0.352 0.485) 6.472 10.512 ( 4.103 2.909 -4.551) 6.783 10.512 ( 4.103 2.909 4.551) 6.783 18.763 ( -0.291 -2.288 -0.714) 2.414 18.763 ( -0.291 -2.288 0.714) 2.414 19.044 ( 3.731 0.009 -0.188) 3.736 19.044 ( 3.731 0.009 0.188) 3.736 19.505 ( -0.551 0.951 -0.640) 1.271 19.505 ( -0.551 0.951 0.640) 1.271 19.959 ( -8.882 3.991 -3.099) 10.219 19.959 ( -8.882 3.991 3.099) 10.219 20.192 ( -1.276 -2.123 -9.031) 9.365 20.192 ( -1.276 -2.123 9.031) 9.365 21.995 ( 4.031 -1.658 -2.454) 5.002 21.995 ( 4.031 -1.658 2.454) 5.002 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 10.959 -7.436) 13.244 1.005 ( 0.000 10.959 7.436) 13.244 1.092 ( 0.000 8.029 -13.313) 15.547 1.092 ( 0.000 8.029 13.313) 15.547 1.676 ( -0.000 -4.500 -5.303) 6.955 1.676 ( -0.000 -4.500 5.303) 6.955 1.711 ( 0.000 6.307 -4.712) 7.873 1.711 ( 0.000 6.307 4.712) 7.873 1.761 ( 0.000 5.669 -3.253) 6.536 1.761 ( 0.000 5.669 3.253) 6.536 1.873 ( 0.000 4.363 -10.568) 11.433 1.873 ( 0.000 4.363 10.568) 11.433 2.045 ( 0.000 3.142 -4.633) 5.598 2.045 ( 0.000 3.142 4.633) 5.598 2.277 ( -0.000 -1.111 -1.583) 1.934 2.277 ( -0.000 -1.111 1.583) 1.934 2.384 ( -0.000 -3.866 -4.453) 5.897 2.384 ( -0.000 -3.866 4.453) 5.897 2.432 ( 0.000 3.932 -5.464) 6.732 2.432 ( 0.000 3.932 5.464) 6.732 2.493 ( 0.000 0.410 -3.396) 3.421 2.493 ( 0.000 0.410 3.396) 3.421 2.664 ( 0.000 1.491 -3.240) 3.567 2.664 ( 0.000 1.491 3.240) 3.567 2.918 ( -0.000 -0.029 -5.232) 5.232 2.918 ( -0.000 -0.029 5.232) 5.232 2.980 ( 0.000 0.932 -1.692) 1.932 2.980 ( 0.000 0.932 1.692) 1.932 3.122 ( -0.000 -5.464 -4.042) 6.796 3.122 ( -0.000 -5.464 4.042) 6.796 3.340 ( -0.000 -0.070 -7.413) 7.413 3.340 ( -0.000 -0.070 7.413) 7.413 3.480 ( -0.000 -0.578 -4.357) 4.395 3.480 ( -0.000 -0.578 4.357) 4.395 3.731 ( -0.000 -1.120 -3.685) 3.851 3.731 ( -0.000 -1.120 3.685) 3.851 4.217 ( -0.000 -6.200 -5.300) 8.157 4.217 ( -0.000 -6.200 5.300) 8.157 4.559 ( -0.000 -1.050 -5.281) 5.384 4.559 ( -0.000 -1.050 5.281) 5.384 4.872 ( -0.000 -0.552 -8.083) 8.102 4.872 ( -0.000 -0.552 8.083) 8.102 5.613 ( -0.000 -3.650 -1.345) 3.890 5.613 ( -0.000 -3.650 1.345) 3.890 5.932 ( 0.000 2.162 -5.499) 5.909 5.932 ( 0.000 2.162 5.499) 5.909 6.183 ( 0.000 0.378 -12.629) 12.635 6.183 ( 0.000 0.378 12.629) 12.635 6.970 ( -0.000 -0.131 -5.278) 5.280 6.970 ( -0.000 -0.131 5.278) 5.280 7.078 ( 0.000 0.662 -11.205) 11.224 7.078 ( 0.000 0.662 11.205) 11.224 7.400 ( -0.000 -5.901 -8.269) 10.158 7.400 ( -0.000 -5.901 8.269) 10.158 8.235 ( -0.000 -8.224 -16.775) 18.682 8.235 ( -0.000 -8.224 16.775) 18.682 9.404 ( -0.000 -0.161 -1.055) 1.067 9.404 ( -0.000 -0.161 1.055) 1.067 10.520 ( 0.000 4.233 -6.558) 7.806 10.520 ( 0.000 4.233 6.558) 7.806 18.789 ( -0.000 -3.953 -1.236) 4.142 18.789 ( -0.000 -3.953 1.236) 4.142 19.086 ( -0.000 -0.029 -0.058) 0.065 19.086 ( -0.000 -0.029 0.058) 0.065 19.483 ( 0.000 1.037 -0.289) 1.077 19.483 ( 0.000 1.037 0.289) 1.077 19.819 ( 0.000 3.791 -0.396) 3.811 19.819 ( 0.000 3.791 0.396) 3.811 20.203 ( 0.000 0.610 -12.890) 12.904 20.203 ( 0.000 0.610 12.890) 12.904 22.057 ( -0.000 -3.188 -3.250) 4.552 22.057 ( -0.000 -3.188 3.250) 4.552 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -2.344 -0.000 -10.651) 10.906 1.224 ( -2.344 -0.000 10.651) 10.906 1.402 ( -16.700 -0.000 -2.523) 16.890 1.402 ( -16.700 -0.000 2.523) 16.890 1.527 ( -0.008 -0.000 -1.419) 1.419 1.527 ( -0.008 -0.000 1.419) 1.419 1.822 ( -0.022 -0.000 -4.169) 4.169 1.822 ( -0.022 -0.000 4.169) 4.169 1.881 ( 1.732 0.000 -2.214) 2.811 1.881 ( 1.732 0.000 2.214) 2.811 1.919 ( 3.508 0.000 -1.305) 3.743 1.919 ( 3.508 0.000 1.305) 3.743 2.005 ( -0.529 -0.000 -0.557) 0.768 2.005 ( -0.529 -0.000 0.557) 0.768 2.197 ( 1.162 0.000 -5.497) 5.619 2.197 ( 1.162 0.000 5.497) 5.619 2.339 ( -0.404 -0.000 -1.697) 1.745 2.339 ( -0.404 -0.000 1.697) 1.745 2.450 ( -0.642 -0.000 -0.120) 0.653 2.450 ( -0.642 -0.000 0.120) 0.653 2.657 ( 2.475 0.000 -1.467) 2.877 2.657 ( 2.475 0.000 1.467) 2.877 2.706 ( -2.457 -0.000 -6.585) 7.028 2.706 ( -2.457 -0.000 6.585) 7.028 2.915 ( -1.034 -0.000 -6.517) 6.599 2.915 ( -1.034 -0.000 6.517) 6.599 2.986 ( 1.582 0.000 -5.760) 5.973 2.986 ( 1.582 0.000 5.760) 5.973 3.036 ( -3.359 -0.000 -1.808) 3.815 3.036 ( -3.359 -0.000 1.808) 3.815 3.443 ( -3.396 -0.000 -2.063) 3.974 3.443 ( -3.396 -0.000 2.063) 3.974 3.485 ( -8.037 -0.000 -1.349) 8.150 3.485 ( -8.037 -0.000 1.349) 8.150 3.737 ( -4.214 -0.000 -0.925) 4.315 3.737 ( -4.214 -0.000 0.925) 4.315 4.130 ( -2.092 -0.000 -5.940) 6.297 4.130 ( -2.092 -0.000 5.940) 6.297 4.626 ( -8.430 -0.000 -3.432) 9.102 4.626 ( -8.430 -0.000 3.432) 9.102 4.939 ( -6.898 -0.000 -7.291) 10.037 4.939 ( -6.898 -0.000 7.291) 10.037 5.540 ( 1.735 0.000 -2.051) 2.687 5.540 ( 1.735 0.000 2.051) 2.687 5.935 ( 3.284 0.000 -2.213) 3.960 5.935 ( 3.284 0.000 2.213) 3.960 6.238 ( -6.136 -0.000 -0.753) 6.182 6.238 ( -6.136 -0.000 0.753) 6.182 6.942 ( 3.506 0.000 -5.263) 6.324 6.942 ( 3.506 0.000 5.263) 6.324 7.062 ( 1.038 0.000 -8.924) 8.984 7.062 ( 1.038 0.000 8.924) 8.984 7.481 ( -12.601 -0.000 -4.604) 13.415 7.481 ( -12.601 -0.000 4.604) 13.415 8.066 ( 3.927 0.000 -13.038) 13.616 8.066 ( 3.927 0.000 13.038) 13.616 9.464 ( -6.269 -0.000 -0.300) 6.277 9.464 ( -6.269 -0.000 0.300) 6.277 10.538 ( 3.937 0.000 -2.815) 4.840 10.538 ( 3.937 0.000 2.815) 4.840 18.743 ( -0.443 -0.000 -1.091) 1.177 18.743 ( -0.443 -0.000 1.091) 1.177 19.044 ( 3.685 0.000 -0.327) 3.700 19.044 ( 3.685 0.000 0.327) 3.700 19.514 ( -0.633 -0.000 -0.597) 0.870 19.514 ( -0.633 -0.000 0.597) 0.870 20.001 ( -11.140 -0.000 -3.204) 11.592 20.001 ( -11.140 -0.000 3.204) 11.592 20.165 ( 1.627 0.000 -6.362) 6.566 20.165 ( 1.627 0.000 6.362) 6.566 21.980 ( 3.638 0.000 -2.021) 4.162 21.980 ( 3.638 0.000 2.021) 4.162 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 6.715 -4.527) 8.098 1.174 ( 0.000 6.715 4.527) 8.098 1.196 ( 0.000 3.184 -12.132) 12.543 1.196 ( 0.000 3.184 12.132) 12.543 1.554 ( -0.000 -5.660 -3.612) 6.714 1.554 ( -0.000 -5.660 3.612) 6.714 1.802 ( 0.000 3.774 -0.875) 3.875 1.802 ( 0.000 3.774 0.875) 3.875 1.879 ( 0.000 4.379 -2.566) 5.075 1.879 ( 0.000 4.379 2.566) 5.075 1.942 ( 0.000 3.040 -10.588) 11.016 1.942 ( 0.000 3.040 10.588) 11.016 2.029 ( -0.000 -3.454 -4.769) 5.889 2.029 ( -0.000 -3.454 4.769) 5.889 2.224 ( -0.000 -2.459 -4.977) 5.552 2.224 ( -0.000 -2.459 4.977) 5.552 2.322 ( -0.000 -2.393 -5.545) 6.039 2.322 ( -0.000 -2.393 5.545) 6.039 2.443 ( -0.000 -0.090 -3.756) 3.757 2.443 ( -0.000 -0.090 3.756) 3.757 2.641 ( 0.000 8.919 -4.896) 10.174 2.641 ( 0.000 8.919 4.896) 10.174 2.683 ( 0.000 0.561 -3.275) 3.323 2.683 ( 0.000 0.561 3.275) 3.323 2.910 ( -0.000 -1.169 -6.942) 7.039 2.910 ( -0.000 -1.169 6.942) 7.039 2.992 ( 0.000 0.371 -1.125) 1.184 2.992 ( 0.000 0.371 1.125) 1.184 3.033 ( -0.000 -3.736 -6.697) 7.668 3.033 ( -0.000 -3.736 6.697) 7.668 3.339 ( -0.000 -0.024 -8.053) 8.053 3.339 ( -0.000 -0.024 8.053) 8.053 3.479 ( 0.000 0.203 -4.357) 4.362 3.479 ( 0.000 0.203 4.357) 4.362 3.704 ( -0.000 -1.275 -1.484) 1.957 3.704 ( -0.000 -1.275 1.484) 1.957 4.128 ( -0.000 -2.989 -6.801) 7.429 4.128 ( -0.000 -2.989 6.801) 7.429 4.546 ( -0.000 -0.433 -4.716) 4.736 4.546 ( -0.000 -0.433 4.716) 4.736 4.865 ( -0.000 -0.209 -8.413) 8.415 4.865 ( -0.000 -0.209 8.413) 8.415 5.564 ( -0.000 -1.584 -1.846) 2.432 5.564 ( -0.000 -1.584 1.846) 2.432 5.958 ( 0.000 0.751 -5.019) 5.075 5.958 ( 0.000 0.751 5.019) 5.075 6.187 ( 0.000 0.143 -12.649) 12.650 6.187 ( 0.000 0.143 12.649) 12.650 6.969 ( -0.000 -0.045 -5.323) 5.323 6.969 ( -0.000 -0.045 5.323) 5.323 7.075 ( -0.000 -0.467 -7.818) 7.832 7.075 ( -0.000 -0.467 7.818) 7.832 7.357 ( -0.000 -0.270 -3.826) 3.836 7.357 ( -0.000 -0.270 3.826) 3.836 8.127 ( -0.000 -3.428 -15.223) 15.604 8.127 ( -0.000 -3.428 15.223) 15.604 9.401 ( -0.000 -0.064 -1.075) 1.077 9.401 ( -0.000 -0.064 1.075) 1.077 10.569 ( 0.000 1.329 -3.309) 3.566 10.569 ( 0.000 1.329 3.309) 3.566 18.744 ( -0.000 -1.213 -0.729) 1.415 18.744 ( -0.000 -1.213 0.729) 1.415 19.086 ( -0.000 -0.011 -0.065) 0.066 19.086 ( -0.000 -0.011 0.065) 0.066 19.496 ( 0.000 0.389 -0.678) 0.781 19.496 ( 0.000 0.389 0.678) 0.781 19.873 ( 0.000 1.837 -0.309) 1.863 19.873 ( 0.000 1.837 0.309) 1.863 20.199 ( -0.000 -0.494 -10.020) 10.032 20.199 ( -0.000 -0.494 10.020) 10.032 22.019 ( -0.000 -1.053 -2.522) 2.733 22.019 ( -0.000 -1.053 2.522) 2.733 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23328 10.0 140.910 146.525 153.536 0.000 0.000 0.000 3/23328 20.0 30.064 22.781 25.467 0.000 0.000 0.000 3/23328 30.0 13.444 9.743 10.809 0.000 0.000 0.000 3/23328 40.0 8.280 5.900 6.533 0.000 0.000 0.000 3/23328 50.0 5.955 4.179 4.637 0.000 0.000 0.000 3/23328 60.0 4.670 3.228 3.597 0.000 0.000 0.000 3/23328 70.0 3.861 2.632 2.950 0.000 0.000 0.000 3/23328 80.0 3.305 2.227 2.510 0.000 0.000 0.000 3/23328 90.0 2.899 1.934 2.192 0.000 0.000 0.000 3/23328 100.0 2.588 1.712 1.950 0.000 0.000 0.000 3/23328 110.0 2.343 1.540 1.760 0.000 0.000 0.000 3/23328 120.0 2.145 1.401 1.607 0.000 0.000 0.000 3/23328 130.0 1.982 1.288 1.480 0.000 0.000 0.000 3/23328 140.0 1.846 1.193 1.373 0.000 0.000 0.000 3/23328 150.0 1.732 1.113 1.281 0.000 0.000 0.000 3/23328 160.0 1.633 1.045 1.202 0.000 0.000 0.000 3/23328 170.0 1.548 0.986 1.133 0.000 0.000 0.000 3/23328 180.0 1.474 0.934 1.073 0.000 0.000 0.000 3/23328 190.0 1.409 0.888 1.018 0.000 0.000 0.000 3/23328 200.0 1.351 0.847 0.970 0.000 0.000 0.000 3/23328 210.0 1.299 0.810 0.926 0.000 0.000 0.000 3/23328 220.0 1.253 0.777 0.887 0.000 0.000 0.000 3/23328 230.0 1.210 0.747 0.850 0.000 0.000 0.000 3/23328 240.0 1.171 0.720 0.817 0.000 0.000 0.000 3/23328 250.0 1.135 0.694 0.787 0.000 0.000 0.000 3/23328 260.0 1.102 0.671 0.759 0.000 0.000 0.000 3/23328 270.0 1.071 0.649 0.732 0.000 0.000 0.000 3/23328 280.0 1.042 0.629 0.708 0.000 0.000 0.000 3/23328 290.0 1.014 0.610 0.686 0.000 0.000 0.000 3/23328 300.0 0.989 0.592 0.664 0.000 0.000 0.000 3/23328 310.0 0.965 0.576 0.644 0.000 0.000 0.000 3/23328 320.0 0.942 0.560 0.626 0.000 0.000 0.000 3/23328 330.0 0.920 0.545 0.608 0.000 0.000 0.000 3/23328 340.0 0.899 0.531 0.592 0.000 0.000 0.000 3/23328 350.0 0.879 0.518 0.576 0.000 0.000 0.000 3/23328 360.0 0.860 0.505 0.561 0.000 0.000 0.000 3/23328 370.0 0.842 0.493 0.547 0.000 0.000 0.000 3/23328 380.0 0.824 0.482 0.533 0.000 0.000 0.000 3/23328 390.0 0.808 0.471 0.521 0.000 0.000 0.000 3/23328 400.0 0.792 0.461 0.508 0.000 0.000 0.000 3/23328 410.0 0.776 0.451 0.497 0.000 0.000 0.000 3/23328 420.0 0.761 0.441 0.486 0.000 0.000 0.000 3/23328 430.0 0.747 0.432 0.475 0.000 0.000 0.000 3/23328 440.0 0.733 0.423 0.465 0.000 0.000 0.000 3/23328 450.0 0.720 0.415 0.455 0.000 0.000 0.000 3/23328 460.0 0.707 0.407 0.446 0.000 0.000 0.000 3/23328 470.0 0.695 0.399 0.437 0.000 0.000 0.000 3/23328 480.0 0.683 0.392 0.428 0.000 0.000 0.000 3/23328 490.0 0.671 0.384 0.420 0.000 0.000 0.000 3/23328 500.0 0.660 0.377 0.412 0.000 0.000 0.000 3/23328 510.0 0.649 0.371 0.404 0.000 0.000 0.000 3/23328 520.0 0.638 0.364 0.397 0.000 0.000 0.000 3/23328 530.0 0.628 0.358 0.390 0.000 0.000 0.000 3/23328 540.0 0.618 0.352 0.383 0.000 0.000 0.000 3/23328 550.0 0.608 0.346 0.376 0.000 0.000 0.000 3/23328 560.0 0.599 0.340 0.370 0.000 0.000 0.000 3/23328 570.0 0.590 0.335 0.364 0.000 0.000 0.000 3/23328 580.0 0.581 0.330 0.358 0.000 0.000 0.000 3/23328 590.0 0.573 0.325 0.352 0.000 0.000 0.000 3/23328 600.0 0.564 0.320 0.346 0.000 0.000 0.000 3/23328 610.0 0.556 0.315 0.341 0.000 0.000 0.000 3/23328 620.0 0.548 0.310 0.336 0.000 0.000 0.000 3/23328 630.0 0.541 0.305 0.331 0.000 0.000 0.000 3/23328 640.0 0.533 0.301 0.326 0.000 0.000 0.000 3/23328 650.0 0.526 0.297 0.321 0.000 0.000 0.000 3/23328 660.0 0.519 0.293 0.316 0.000 0.000 0.000 3/23328 670.0 0.512 0.289 0.312 0.000 0.000 0.000 3/23328 680.0 0.505 0.285 0.307 0.000 0.000 0.000 3/23328 690.0 0.498 0.281 0.303 0.000 0.000 0.000 3/23328 700.0 0.492 0.277 0.299 0.000 0.000 0.000 3/23328 710.0 0.486 0.273 0.295 0.000 0.000 0.000 3/23328 720.0 0.480 0.270 0.291 0.000 0.000 0.000 3/23328 730.0 0.474 0.266 0.287 0.000 0.000 0.000 3/23328 740.0 0.468 0.263 0.283 0.000 0.000 0.000 3/23328 750.0 0.462 0.260 0.279 0.000 0.000 0.000 3/23328 760.0 0.457 0.256 0.276 0.000 0.000 0.000 3/23328 770.0 0.451 0.253 0.272 0.000 0.000 0.000 3/23328 780.0 0.446 0.250 0.269 0.000 0.000 0.000 3/23328 790.0 0.441 0.247 0.266 0.000 0.000 0.000 3/23328 800.0 0.436 0.244 0.262 0.000 0.000 0.000 3/23328 810.0 0.431 0.241 0.259 0.000 0.000 0.000 3/23328 820.0 0.426 0.239 0.256 0.000 0.000 0.000 3/23328 830.0 0.421 0.236 0.253 0.000 0.000 0.000 3/23328 840.0 0.417 0.233 0.250 0.000 0.000 0.000 3/23328 850.0 0.412 0.231 0.247 0.000 0.000 0.000 3/23328 860.0 0.408 0.228 0.245 0.000 0.000 0.000 3/23328 870.0 0.403 0.226 0.242 0.000 0.000 0.000 3/23328 880.0 0.399 0.223 0.239 0.000 0.000 0.000 3/23328 890.0 0.395 0.221 0.237 0.000 0.000 0.000 3/23328 900.0 0.391 0.218 0.234 0.000 0.000 0.000 3/23328 910.0 0.387 0.216 0.231 0.000 0.000 0.000 3/23328 920.0 0.383 0.214 0.229 0.000 0.000 0.000 3/23328 930.0 0.379 0.212 0.227 0.000 0.000 0.000 3/23328 940.0 0.375 0.210 0.224 0.000 0.000 0.000 3/23328 950.0 0.371 0.207 0.222 0.000 0.000 0.000 3/23328 960.0 0.368 0.205 0.220 0.000 0.000 0.000 3/23328 970.0 0.364 0.203 0.217 0.000 0.000 0.000 3/23328 980.0 0.361 0.201 0.215 0.000 0.000 0.000 3/23328 990.0 0.357 0.199 0.213 0.000 0.000 0.000 3/23328 1000.0 0.354 0.198 0.211 0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:47:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|