----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:56:33]------------------------- 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: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.499874670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.978278940000000 Atomic positions (fractional): *1 Y 0.35734961203109 0.25000000000000 0.60830397255694 88.906 2 Y 0.85734961203109 0.25000000000000 0.89169602744306 88.906 3 Y 0.14265038796891 0.75000000000000 0.10830397255694 88.906 4 Y 0.64265038796891 0.75000000000000 0.39169602744306 88.906 *5 H 0.10474247162153 0.25000000000000 0.63759679042822 1.008 6 H 0.60474247162153 0.25000000000000 0.86240320957178 1.008 7 H 0.39525752837847 0.75000000000000 0.13759679042821 1.008 8 H 0.89525752837847 0.75000000000000 0.36240320957178 1.008 *9 O 0.57054916806201 0.25000000000000 0.67098225967468 15.999 *10 O 0.81362629977870 0.75000000000000 0.63845413901050 15.999 11 O 0.31362629977870 0.75000000000000 0.86154586098950 15.999 12 O 0.07054916806201 0.25000000000000 0.82901774032532 15.999 13 O 0.92945083193799 0.75000000000000 0.17098225967468 15.999 14 O 0.68637370022130 0.25000000000000 0.13845413901050 15.999 15 O 0.18637370022130 0.25000000000000 0.36154586098950 15.999 16 O 0.42945083193799 0.75000000000000 0.32901774032532 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.499874670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.978278940000000 Atomic positions (fractional): *1 Y 0.35734961203109 0.25000000000000 0.60830397255694 88.906 > 1 2 Y 0.85734961203109 0.25000000000000 0.89169602744306 88.906 > 2 3 Y 0.14265038796891 0.75000000000000 0.10830397255694 88.906 > 3 4 Y 0.64265038796891 0.75000000000000 0.39169602744306 88.906 > 4 *5 H 0.10474247162153 0.25000000000000 0.63759679042822 1.008 > 5 6 H 0.60474247162153 0.25000000000000 0.86240320957178 1.008 > 6 7 H 0.39525752837847 0.75000000000000 0.13759679042821 1.008 > 7 8 H 0.89525752837847 0.75000000000000 0.36240320957179 1.008 > 8 *9 O 0.57054916806201 0.25000000000000 0.67098225967468 15.999 > 9 *10 O 0.81362629977870 0.75000000000000 0.63845413901050 15.999 > 10 11 O 0.31362629977870 0.75000000000000 0.86154586098950 15.999 > 11 12 O 0.07054916806201 0.25000000000000 0.82901774032532 15.999 > 12 13 O 0.92945083193799 0.75000000000000 0.17098225967468 15.999 > 13 14 O 0.68637370022130 0.25000000000000 0.13845413901050 15.999 > 14 15 O 0.18637370022130 0.25000000000000 0.36154586098950 15.999 > 15 16 O 0.42945083193799 0.75000000000000 0.32901774032532 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499624010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.934836820000001 Atomic positions (fractional): *1 Y 0.35734961203109 0.08333333333333 0.20276799085231 88.906 > 1 2 Y 0.35734961203109 0.41666666666667 0.20276799085231 88.906 > 1 3 Y 0.35734961203109 0.75000000000000 0.20276799085231 88.906 > 1 4 Y 0.35734961203109 0.08333333333333 0.53610132418565 88.906 > 1 5 Y 0.35734961203109 0.41666666666667 0.53610132418565 88.906 > 1 6 Y 0.35734961203109 0.75000000000000 0.53610132418565 88.906 > 1 7 Y 0.35734961203109 0.08333333333333 0.86943465751898 88.906 > 1 8 Y 0.35734961203109 0.41666666666667 0.86943465751898 88.906 > 1 9 Y 0.35734961203109 0.75000000000000 0.86943465751898 88.906 > 1 10 Y 0.85734961203109 0.08333333333333 0.29723200914769 88.906 > 2 11 Y 0.85734961203109 0.41666666666667 0.29723200914769 88.906 > 2 12 Y 0.85734961203109 0.75000000000000 0.29723200914769 88.906 > 2 13 Y 0.85734961203109 0.08333333333333 0.63056534248102 88.906 > 2 14 Y 0.85734961203109 0.41666666666667 0.63056534248102 88.906 > 2 15 Y 0.85734961203109 0.75000000000000 0.63056534248102 88.906 > 2 16 Y 0.85734961203109 0.08333333333333 0.96389867581435 88.906 > 2 17 Y 0.85734961203109 0.41666666666667 0.96389867581435 88.906 > 2 18 Y 0.85734961203109 0.75000000000000 0.96389867581435 88.906 > 2 19 Y 0.14265038796891 0.25000000000000 0.03610132418565 88.906 > 3 20 Y 0.14265038796891 0.58333333333333 0.03610132418565 88.906 > 3 21 Y 0.14265038796891 0.91666666666667 0.03610132418565 88.906 > 3 22 Y 0.14265038796891 0.25000000000000 0.36943465751898 88.906 > 3 23 Y 0.14265038796891 0.58333333333333 0.36943465751898 88.906 > 3 24 Y 0.14265038796891 0.91666666666667 0.36943465751898 88.906 > 3 25 Y 0.14265038796891 0.25000000000000 0.70276799085231 88.906 > 3 26 Y 0.14265038796891 0.58333333333333 0.70276799085231 88.906 > 3 27 Y 0.14265038796891 0.91666666666667 0.70276799085231 88.906 > 3 28 Y 0.64265038796891 0.25000000000000 0.13056534248102 88.906 > 4 29 Y 0.64265038796891 0.58333333333333 0.13056534248102 88.906 > 4 30 Y 0.64265038796891 0.91666666666667 0.13056534248102 88.906 > 4 31 Y 0.64265038796891 0.25000000000000 0.46389867581435 88.906 > 4 32 Y 0.64265038796891 0.58333333333333 0.46389867581435 88.906 > 4 33 Y 0.64265038796891 0.91666666666667 0.46389867581435 88.906 > 4 34 Y 0.64265038796891 0.25000000000000 0.79723200914769 88.906 > 4 35 Y 0.64265038796891 0.58333333333333 0.79723200914769 88.906 > 4 36 Y 0.64265038796891 0.91666666666667 0.79723200914769 88.906 > 4 *37 H 0.10474247162153 0.08333333333333 0.21253226347607 1.008 > 5 38 H 0.10474247162153 0.41666666666667 0.21253226347607 1.008 > 5 39 H 0.10474247162153 0.75000000000000 0.21253226347607 1.008 > 5 40 H 0.10474247162153 0.08333333333333 0.54586559680941 1.008 > 5 41 H 0.10474247162153 0.41666666666667 0.54586559680941 1.008 > 5 42 H 0.10474247162153 0.75000000000000 0.54586559680941 1.008 > 5 43 H 0.10474247162153 0.08333333333333 0.87919893014274 1.008 > 5 44 H 0.10474247162153 0.41666666666667 0.87919893014274 1.008 > 5 45 H 0.10474247162153 0.75000000000000 0.87919893014274 1.008 > 5 46 H 0.60474247162153 0.08333333333333 0.28746773652393 1.008 > 6 47 H 0.60474247162153 0.41666666666667 0.28746773652393 1.008 > 6 48 H 0.60474247162153 0.75000000000000 0.28746773652393 1.008 > 6 49 H 0.60474247162153 0.08333333333333 0.62080106985726 1.008 > 6 50 H 0.60474247162153 0.41666666666667 0.62080106985726 1.008 > 6 51 H 0.60474247162153 0.75000000000000 0.62080106985726 1.008 > 6 52 H 0.60474247162153 0.08333333333333 0.95413440319059 1.008 > 6 53 H 0.60474247162153 0.41666666666667 0.95413440319059 1.008 > 6 54 H 0.60474247162153 0.75000000000000 0.95413440319059 1.008 > 6 55 H 0.39525752837847 0.25000000000000 0.04586559680940 1.008 > 7 56 H 0.39525752837847 0.58333333333333 0.04586559680940 1.008 > 7 57 H 0.39525752837847 0.91666666666667 0.04586559680940 1.008 > 7 58 H 0.39525752837847 0.25000000000000 0.37919893014274 1.008 > 7 59 H 0.39525752837847 0.58333333333333 0.37919893014274 1.008 > 7 60 H 0.39525752837847 0.91666666666667 0.37919893014274 1.008 > 7 61 H 0.39525752837847 0.25000000000000 0.71253226347607 1.008 > 7 62 H 0.39525752837847 0.58333333333333 0.71253226347607 1.008 > 7 63 H 0.39525752837847 0.91666666666667 0.71253226347607 1.008 > 7 64 H 0.89525752837847 0.25000000000000 0.12080106985726 1.008 > 8 65 H 0.89525752837847 0.58333333333333 0.12080106985726 1.008 > 8 66 H 0.89525752837847 0.91666666666667 0.12080106985726 1.008 > 8 67 H 0.89525752837847 0.25000000000000 0.45413440319060 1.008 > 8 68 H 0.89525752837847 0.58333333333333 0.45413440319060 1.008 > 8 69 H 0.89525752837847 0.91666666666667 0.45413440319060 1.008 > 8 70 H 0.89525752837847 0.25000000000000 0.78746773652393 1.008 > 8 71 H 0.89525752837847 0.58333333333333 0.78746773652393 1.008 > 8 72 H 0.89525752837847 0.91666666666667 0.78746773652393 1.008 > 8 *73 O 0.57054916806201 0.08333333333333 0.22366075322489 15.999 > 9 74 O 0.57054916806201 0.41666666666667 0.22366075322489 15.999 > 9 75 O 0.57054916806201 0.75000000000000 0.22366075322489 15.999 > 9 76 O 0.57054916806201 0.08333333333333 0.55699408655823 15.999 > 9 77 O 0.57054916806201 0.41666666666667 0.55699408655823 15.999 > 9 78 O 0.57054916806201 0.75000000000000 0.55699408655823 15.999 > 9 79 O 0.57054916806201 0.08333333333333 0.89032741989156 15.999 > 9 80 O 0.57054916806201 0.41666666666667 0.89032741989156 15.999 > 9 81 O 0.57054916806201 0.75000000000000 0.89032741989156 15.999 > 9 *82 O 0.81362629977870 0.25000000000000 0.21281804633683 15.999 > 10 83 O 0.81362629977870 0.58333333333333 0.21281804633683 15.999 > 10 84 O 0.81362629977870 0.91666666666667 0.21281804633683 15.999 > 10 85 O 0.81362629977870 0.25000000000000 0.54615137967017 15.999 > 10 86 O 0.81362629977870 0.58333333333333 0.54615137967017 15.999 > 10 87 O 0.81362629977870 0.91666666666667 0.54615137967017 15.999 > 10 88 O 0.81362629977870 0.25000000000000 0.87948471300350 15.999 > 10 89 O 0.81362629977870 0.58333333333333 0.87948471300350 15.999 > 10 90 O 0.81362629977870 0.91666666666667 0.87948471300350 15.999 > 10 91 O 0.31362629977870 0.25000000000000 0.28718195366317 15.999 > 11 92 O 0.31362629977870 0.58333333333333 0.28718195366317 15.999 > 11 93 O 0.31362629977870 0.91666666666667 0.28718195366317 15.999 > 11 94 O 0.31362629977870 0.25000000000000 0.62051528699650 15.999 > 11 95 O 0.31362629977870 0.58333333333333 0.62051528699650 15.999 > 11 96 O 0.31362629977870 0.91666666666667 0.62051528699650 15.999 > 11 97 O 0.31362629977870 0.25000000000000 0.95384862032983 15.999 > 11 98 O 0.31362629977870 0.58333333333333 0.95384862032983 15.999 > 11 99 O 0.31362629977870 0.91666666666667 0.95384862032983 15.999 > 11 100 O 0.07054916806201 0.08333333333333 0.27633924677511 15.999 > 12 101 O 0.07054916806201 0.41666666666667 0.27633924677511 15.999 > 12 102 O 0.07054916806201 0.75000000000000 0.27633924677511 15.999 > 12 103 O 0.07054916806201 0.08333333333333 0.60967258010844 15.999 > 12 104 O 0.07054916806201 0.41666666666667 0.60967258010844 15.999 > 12 105 O 0.07054916806201 0.75000000000000 0.60967258010844 15.999 > 12 106 O 0.07054916806201 0.08333333333333 0.94300591344177 15.999 > 12 107 O 0.07054916806201 0.41666666666667 0.94300591344177 15.999 > 12 108 O 0.07054916806201 0.75000000000000 0.94300591344177 15.999 > 12 109 O 0.92945083193799 0.25000000000000 0.05699408655823 15.999 > 13 110 O 0.92945083193799 0.58333333333333 0.05699408655823 15.999 > 13 111 O 0.92945083193799 0.91666666666667 0.05699408655823 15.999 > 13 112 O 0.92945083193799 0.25000000000000 0.39032741989156 15.999 > 13 113 O 0.92945083193799 0.58333333333333 0.39032741989156 15.999 > 13 114 O 0.92945083193799 0.91666666666667 0.39032741989156 15.999 > 13 115 O 0.92945083193799 0.25000000000000 0.72366075322489 15.999 > 13 116 O 0.92945083193799 0.58333333333333 0.72366075322489 15.999 > 13 117 O 0.92945083193799 0.91666666666667 0.72366075322489 15.999 > 13 118 O 0.68637370022130 0.08333333333333 0.04615137967017 15.999 > 14 119 O 0.68637370022130 0.41666666666667 0.04615137967017 15.999 > 14 120 O 0.68637370022130 0.75000000000000 0.04615137967017 15.999 > 14 121 O 0.68637370022130 0.08333333333333 0.37948471300350 15.999 > 14 122 O 0.68637370022130 0.41666666666667 0.37948471300350 15.999 > 14 123 O 0.68637370022130 0.75000000000000 0.37948471300350 15.999 > 14 124 O 0.68637370022130 0.08333333333333 0.71281804633683 15.999 > 14 125 O 0.68637370022130 0.41666666666667 0.71281804633683 15.999 > 14 126 O 0.68637370022130 0.75000000000000 0.71281804633683 15.999 > 14 127 O 0.18637370022130 0.08333333333333 0.12051528699650 15.999 > 15 128 O 0.18637370022130 0.41666666666667 0.12051528699650 15.999 > 15 129 O 0.18637370022130 0.75000000000000 0.12051528699650 15.999 > 15 130 O 0.18637370022130 0.08333333333333 0.45384862032983 15.999 > 15 131 O 0.18637370022130 0.41666666666667 0.45384862032983 15.999 > 15 132 O 0.18637370022130 0.75000000000000 0.45384862032983 15.999 > 15 133 O 0.18637370022130 0.08333333333333 0.78718195366317 15.999 > 15 134 O 0.18637370022130 0.41666666666667 0.78718195366317 15.999 > 15 135 O 0.18637370022130 0.75000000000000 0.78718195366317 15.999 > 15 136 O 0.42945083193799 0.25000000000000 0.10967258010844 15.999 > 16 137 O 0.42945083193799 0.58333333333333 0.10967258010844 15.999 > 16 138 O 0.42945083193799 0.91666666666667 0.10967258010844 15.999 > 16 139 O 0.42945083193799 0.25000000000000 0.44300591344177 15.999 > 16 140 O 0.42945083193799 0.58333333333333 0.44300591344177 15.999 > 16 141 O 0.42945083193799 0.91666666666667 0.44300591344177 15.999 > 16 142 O 0.42945083193799 0.25000000000000 0.77633924677511 15.999 > 16 143 O 0.42945083193799 0.58333333333333 0.77633924677511 15.999 > 16 144 O 0.42945083193799 0.91666666666667 0.77633924677511 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5375634 0.0000000 0.0000000 0.0000000 3.6700329 0.0000000 0.0000000 0.0000000 3.5429486 -------------------------- Born effective charges -------------------------- 1 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 2 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 3 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 4 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 5 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 6 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 7 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 8 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 9 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 10 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 11 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 12 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 13 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 14 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 15 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 16 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 ---------------------------------------------------------------------------- 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: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 2.396 Solver_block: 200 / 240 - Time: 2.419 Solver_block: 240 / 240 - Time: 1.049 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.896 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:56:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:56:54]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.499874670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.978278940000000 Atomic positions (fractional): 1 Y 0.35734961203109 0.25000000000000 0.60830397255694 88.906 2 Y 0.85734961203109 0.25000000000000 0.89169602744306 88.906 3 Y 0.14265038796891 0.75000000000000 0.10830397255694 88.906 4 Y 0.64265038796891 0.75000000000000 0.39169602744306 88.906 5 H 0.10474247162153 0.25000000000000 0.63759679042822 1.008 6 H 0.60474247162153 0.25000000000000 0.86240320957178 1.008 7 H 0.39525752837847 0.75000000000000 0.13759679042821 1.008 8 H 0.89525752837847 0.75000000000000 0.36240320957178 1.008 9 O 0.57054916806201 0.25000000000000 0.67098225967468 15.999 10 O 0.81362629977870 0.75000000000000 0.63845413901050 15.999 11 O 0.31362629977870 0.75000000000000 0.86154586098950 15.999 12 O 0.07054916806201 0.25000000000000 0.82901774032532 15.999 13 O 0.92945083193799 0.75000000000000 0.17098225967468 15.999 14 O 0.68637370022130 0.25000000000000 0.13845413901050 15.999 15 O 0.18637370022130 0.25000000000000 0.36154586098950 15.999 16 O 0.42945083193799 0.75000000000000 0.32901774032532 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499624010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.934836820000001 Atomic positions (fractional): 1 Y 0.35734961203109 0.08333333333333 0.20276799085231 88.906 > 1 2 Y 0.35734961203109 0.41666666666667 0.20276799085231 88.906 > 1 3 Y 0.35734961203109 0.75000000000000 0.20276799085231 88.906 > 1 4 Y 0.35734961203109 0.08333333333333 0.53610132418565 88.906 > 1 5 Y 0.35734961203109 0.41666666666667 0.53610132418565 88.906 > 1 6 Y 0.35734961203109 0.75000000000000 0.53610132418565 88.906 > 1 7 Y 0.35734961203109 0.08333333333333 0.86943465751898 88.906 > 1 8 Y 0.35734961203109 0.41666666666667 0.86943465751898 88.906 > 1 9 Y 0.35734961203109 0.75000000000000 0.86943465751898 88.906 > 1 10 Y 0.85734961203109 0.08333333333333 0.29723200914769 88.906 > 10 11 Y 0.85734961203109 0.41666666666667 0.29723200914769 88.906 > 10 12 Y 0.85734961203109 0.75000000000000 0.29723200914769 88.906 > 10 13 Y 0.85734961203109 0.08333333333333 0.63056534248102 88.906 > 10 14 Y 0.85734961203109 0.41666666666667 0.63056534248102 88.906 > 10 15 Y 0.85734961203109 0.75000000000000 0.63056534248102 88.906 > 10 16 Y 0.85734961203109 0.08333333333333 0.96389867581435 88.906 > 10 17 Y 0.85734961203109 0.41666666666667 0.96389867581435 88.906 > 10 18 Y 0.85734961203109 0.75000000000000 0.96389867581435 88.906 > 10 19 Y 0.14265038796891 0.25000000000000 0.03610132418565 88.906 > 19 20 Y 0.14265038796891 0.58333333333333 0.03610132418565 88.906 > 19 21 Y 0.14265038796891 0.91666666666667 0.03610132418565 88.906 > 19 22 Y 0.14265038796891 0.25000000000000 0.36943465751898 88.906 > 19 23 Y 0.14265038796891 0.58333333333333 0.36943465751898 88.906 > 19 24 Y 0.14265038796891 0.91666666666667 0.36943465751898 88.906 > 19 25 Y 0.14265038796891 0.25000000000000 0.70276799085231 88.906 > 19 26 Y 0.14265038796891 0.58333333333333 0.70276799085231 88.906 > 19 27 Y 0.14265038796891 0.91666666666667 0.70276799085231 88.906 > 19 28 Y 0.64265038796891 0.25000000000000 0.13056534248102 88.906 > 28 29 Y 0.64265038796891 0.58333333333333 0.13056534248102 88.906 > 28 30 Y 0.64265038796891 0.91666666666667 0.13056534248102 88.906 > 28 31 Y 0.64265038796891 0.25000000000000 0.46389867581435 88.906 > 28 32 Y 0.64265038796891 0.58333333333333 0.46389867581435 88.906 > 28 33 Y 0.64265038796891 0.91666666666667 0.46389867581435 88.906 > 28 34 Y 0.64265038796891 0.25000000000000 0.79723200914769 88.906 > 28 35 Y 0.64265038796891 0.58333333333333 0.79723200914769 88.906 > 28 36 Y 0.64265038796891 0.91666666666667 0.79723200914769 88.906 > 28 37 H 0.10474247162153 0.08333333333333 0.21253226347607 1.008 > 37 38 H 0.10474247162153 0.41666666666667 0.21253226347607 1.008 > 37 39 H 0.10474247162153 0.75000000000000 0.21253226347607 1.008 > 37 40 H 0.10474247162153 0.08333333333333 0.54586559680941 1.008 > 37 41 H 0.10474247162153 0.41666666666667 0.54586559680941 1.008 > 37 42 H 0.10474247162153 0.75000000000000 0.54586559680941 1.008 > 37 43 H 0.10474247162153 0.08333333333333 0.87919893014274 1.008 > 37 44 H 0.10474247162153 0.41666666666667 0.87919893014274 1.008 > 37 45 H 0.10474247162153 0.75000000000000 0.87919893014274 1.008 > 37 46 H 0.60474247162153 0.08333333333333 0.28746773652393 1.008 > 46 47 H 0.60474247162153 0.41666666666667 0.28746773652393 1.008 > 46 48 H 0.60474247162153 0.75000000000000 0.28746773652393 1.008 > 46 49 H 0.60474247162153 0.08333333333333 0.62080106985726 1.008 > 46 50 H 0.60474247162153 0.41666666666667 0.62080106985726 1.008 > 46 51 H 0.60474247162153 0.75000000000000 0.62080106985726 1.008 > 46 52 H 0.60474247162153 0.08333333333333 0.95413440319059 1.008 > 46 53 H 0.60474247162153 0.41666666666667 0.95413440319059 1.008 > 46 54 H 0.60474247162153 0.75000000000000 0.95413440319059 1.008 > 46 55 H 0.39525752837847 0.25000000000000 0.04586559680940 1.008 > 55 56 H 0.39525752837847 0.58333333333333 0.04586559680940 1.008 > 55 57 H 0.39525752837847 0.91666666666667 0.04586559680940 1.008 > 55 58 H 0.39525752837847 0.25000000000000 0.37919893014274 1.008 > 55 59 H 0.39525752837847 0.58333333333333 0.37919893014274 1.008 > 55 60 H 0.39525752837847 0.91666666666667 0.37919893014274 1.008 > 55 61 H 0.39525752837847 0.25000000000000 0.71253226347607 1.008 > 55 62 H 0.39525752837847 0.58333333333333 0.71253226347607 1.008 > 55 63 H 0.39525752837847 0.91666666666667 0.71253226347607 1.008 > 55 64 H 0.89525752837847 0.25000000000000 0.12080106985726 1.008 > 64 65 H 0.89525752837847 0.58333333333333 0.12080106985726 1.008 > 64 66 H 0.89525752837847 0.91666666666667 0.12080106985726 1.008 > 64 67 H 0.89525752837847 0.25000000000000 0.45413440319060 1.008 > 64 68 H 0.89525752837847 0.58333333333333 0.45413440319060 1.008 > 64 69 H 0.89525752837847 0.91666666666667 0.45413440319060 1.008 > 64 70 H 0.89525752837847 0.25000000000000 0.78746773652393 1.008 > 64 71 H 0.89525752837847 0.58333333333333 0.78746773652393 1.008 > 64 72 H 0.89525752837847 0.91666666666667 0.78746773652393 1.008 > 64 73 O 0.57054916806201 0.08333333333333 0.22366075322489 15.999 > 73 74 O 0.57054916806201 0.41666666666667 0.22366075322489 15.999 > 73 75 O 0.57054916806201 0.75000000000000 0.22366075322489 15.999 > 73 76 O 0.57054916806201 0.08333333333333 0.55699408655823 15.999 > 73 77 O 0.57054916806201 0.41666666666667 0.55699408655823 15.999 > 73 78 O 0.57054916806201 0.75000000000000 0.55699408655823 15.999 > 73 79 O 0.57054916806201 0.08333333333333 0.89032741989156 15.999 > 73 80 O 0.57054916806201 0.41666666666667 0.89032741989156 15.999 > 73 81 O 0.57054916806201 0.75000000000000 0.89032741989156 15.999 > 73 82 O 0.81362629977870 0.25000000000000 0.21281804633683 15.999 > 82 83 O 0.81362629977870 0.58333333333333 0.21281804633683 15.999 > 82 84 O 0.81362629977870 0.91666666666667 0.21281804633683 15.999 > 82 85 O 0.81362629977870 0.25000000000000 0.54615137967017 15.999 > 82 86 O 0.81362629977870 0.58333333333333 0.54615137967017 15.999 > 82 87 O 0.81362629977870 0.91666666666667 0.54615137967017 15.999 > 82 88 O 0.81362629977870 0.25000000000000 0.87948471300350 15.999 > 82 89 O 0.81362629977870 0.58333333333333 0.87948471300350 15.999 > 82 90 O 0.81362629977870 0.91666666666667 0.87948471300350 15.999 > 82 91 O 0.31362629977870 0.25000000000000 0.28718195366317 15.999 > 91 92 O 0.31362629977870 0.58333333333333 0.28718195366317 15.999 > 91 93 O 0.31362629977870 0.91666666666667 0.28718195366317 15.999 > 91 94 O 0.31362629977870 0.25000000000000 0.62051528699650 15.999 > 91 95 O 0.31362629977870 0.58333333333333 0.62051528699650 15.999 > 91 96 O 0.31362629977870 0.91666666666667 0.62051528699650 15.999 > 91 97 O 0.31362629977870 0.25000000000000 0.95384862032983 15.999 > 91 98 O 0.31362629977870 0.58333333333333 0.95384862032983 15.999 > 91 99 O 0.31362629977870 0.91666666666667 0.95384862032983 15.999 > 91 100 O 0.07054916806201 0.08333333333333 0.27633924677511 15.999 > 100 101 O 0.07054916806201 0.41666666666667 0.27633924677511 15.999 > 100 102 O 0.07054916806201 0.75000000000000 0.27633924677511 15.999 > 100 103 O 0.07054916806201 0.08333333333333 0.60967258010844 15.999 > 100 104 O 0.07054916806201 0.41666666666667 0.60967258010844 15.999 > 100 105 O 0.07054916806201 0.75000000000000 0.60967258010844 15.999 > 100 106 O 0.07054916806201 0.08333333333333 0.94300591344177 15.999 > 100 107 O 0.07054916806201 0.41666666666667 0.94300591344177 15.999 > 100 108 O 0.07054916806201 0.75000000000000 0.94300591344177 15.999 > 100 109 O 0.92945083193799 0.25000000000000 0.05699408655823 15.999 > 109 110 O 0.92945083193799 0.58333333333333 0.05699408655823 15.999 > 109 111 O 0.92945083193799 0.91666666666667 0.05699408655823 15.999 > 109 112 O 0.92945083193799 0.25000000000000 0.39032741989156 15.999 > 109 113 O 0.92945083193799 0.58333333333333 0.39032741989156 15.999 > 109 114 O 0.92945083193799 0.91666666666667 0.39032741989156 15.999 > 109 115 O 0.92945083193799 0.25000000000000 0.72366075322489 15.999 > 109 116 O 0.92945083193799 0.58333333333333 0.72366075322489 15.999 > 109 117 O 0.92945083193799 0.91666666666667 0.72366075322489 15.999 > 109 118 O 0.68637370022130 0.08333333333333 0.04615137967017 15.999 > 118 119 O 0.68637370022130 0.41666666666667 0.04615137967017 15.999 > 118 120 O 0.68637370022130 0.75000000000000 0.04615137967017 15.999 > 118 121 O 0.68637370022130 0.08333333333333 0.37948471300350 15.999 > 118 122 O 0.68637370022130 0.41666666666667 0.37948471300350 15.999 > 118 123 O 0.68637370022130 0.75000000000000 0.37948471300350 15.999 > 118 124 O 0.68637370022130 0.08333333333333 0.71281804633683 15.999 > 118 125 O 0.68637370022130 0.41666666666667 0.71281804633683 15.999 > 118 126 O 0.68637370022130 0.75000000000000 0.71281804633683 15.999 > 118 127 O 0.18637370022130 0.08333333333333 0.12051528699650 15.999 > 127 128 O 0.18637370022130 0.41666666666667 0.12051528699650 15.999 > 127 129 O 0.18637370022130 0.75000000000000 0.12051528699650 15.999 > 127 130 O 0.18637370022130 0.08333333333333 0.45384862032983 15.999 > 127 131 O 0.18637370022130 0.41666666666667 0.45384862032983 15.999 > 127 132 O 0.18637370022130 0.75000000000000 0.45384862032983 15.999 > 127 133 O 0.18637370022130 0.08333333333333 0.78718195366317 15.999 > 127 134 O 0.18637370022130 0.41666666666667 0.78718195366317 15.999 > 127 135 O 0.18637370022130 0.75000000000000 0.78718195366317 15.999 > 127 136 O 0.42945083193799 0.25000000000000 0.10967258010844 15.999 > 136 137 O 0.42945083193799 0.58333333333333 0.10967258010844 15.999 > 136 138 O 0.42945083193799 0.91666666666667 0.10967258010844 15.999 > 136 139 O 0.42945083193799 0.25000000000000 0.44300591344177 15.999 > 136 140 O 0.42945083193799 0.58333333333333 0.44300591344177 15.999 > 136 141 O 0.42945083193799 0.91666666666667 0.44300591344177 15.999 > 136 142 O 0.42945083193799 0.25000000000000 0.77633924677511 15.999 > 136 143 O 0.42945083193799 0.58333333333333 0.77633924677511 15.999 > 136 144 O 0.42945083193799 0.91666666666667 0.77633924677511 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5375634 0.0000000 0.0000000 0.0000000 3.6700329 0.0000000 0.0000000 0.0000000 3.5429486 -------------------------- Born effective charges -------------------------- 1 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 2 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 3 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 4 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 5 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 6 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 7 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 8 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 9 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 10 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 11 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 12 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 13 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 14 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 15 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 16 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 ---------------------------------------------------------------------------- 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[ 37, 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[ 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 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 23:57:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:57:15]------------------------- 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): [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.499874670000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.978278940000000 Atomic positions (fractional): 1 Y 0.35734961203109 0.25000000000000 0.60830397255694 88.906 2 Y 0.85734961203109 0.25000000000000 0.89169602744306 88.906 3 Y 0.14265038796891 0.75000000000000 0.10830397255694 88.906 4 Y 0.64265038796891 0.75000000000000 0.39169602744306 88.906 5 H 0.10474247162153 0.25000000000000 0.63759679042822 1.008 6 H 0.60474247162153 0.25000000000000 0.86240320957178 1.008 7 H 0.39525752837847 0.75000000000000 0.13759679042821 1.008 8 H 0.89525752837847 0.75000000000000 0.36240320957178 1.008 9 O 0.57054916806201 0.25000000000000 0.67098225967468 15.999 10 O 0.81362629977870 0.75000000000000 0.63845413901050 15.999 11 O 0.31362629977870 0.75000000000000 0.86154586098950 15.999 12 O 0.07054916806201 0.25000000000000 0.82901774032532 15.999 13 O 0.92945083193799 0.75000000000000 0.17098225967468 15.999 14 O 0.68637370022130 0.25000000000000 0.13845413901050 15.999 15 O 0.18637370022130 0.25000000000000 0.36154586098950 15.999 16 O 0.42945083193799 0.75000000000000 0.32901774032532 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.736617380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.499624010000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.934836820000001 Atomic positions (fractional): 1 Y 0.35734961203109 0.08333333333333 0.20276799085231 88.906 > 1 2 Y 0.35734961203109 0.41666666666667 0.20276799085231 88.906 > 1 3 Y 0.35734961203109 0.75000000000000 0.20276799085231 88.906 > 1 4 Y 0.35734961203109 0.08333333333333 0.53610132418565 88.906 > 1 5 Y 0.35734961203109 0.41666666666667 0.53610132418565 88.906 > 1 6 Y 0.35734961203109 0.75000000000000 0.53610132418565 88.906 > 1 7 Y 0.35734961203109 0.08333333333333 0.86943465751898 88.906 > 1 8 Y 0.35734961203109 0.41666666666667 0.86943465751898 88.906 > 1 9 Y 0.35734961203109 0.75000000000000 0.86943465751898 88.906 > 1 10 Y 0.85734961203109 0.08333333333333 0.29723200914769 88.906 > 10 11 Y 0.85734961203109 0.41666666666667 0.29723200914769 88.906 > 10 12 Y 0.85734961203109 0.75000000000000 0.29723200914769 88.906 > 10 13 Y 0.85734961203109 0.08333333333333 0.63056534248102 88.906 > 10 14 Y 0.85734961203109 0.41666666666667 0.63056534248102 88.906 > 10 15 Y 0.85734961203109 0.75000000000000 0.63056534248102 88.906 > 10 16 Y 0.85734961203109 0.08333333333333 0.96389867581435 88.906 > 10 17 Y 0.85734961203109 0.41666666666667 0.96389867581435 88.906 > 10 18 Y 0.85734961203109 0.75000000000000 0.96389867581435 88.906 > 10 19 Y 0.14265038796891 0.25000000000000 0.03610132418565 88.906 > 19 20 Y 0.14265038796891 0.58333333333333 0.03610132418565 88.906 > 19 21 Y 0.14265038796891 0.91666666666667 0.03610132418565 88.906 > 19 22 Y 0.14265038796891 0.25000000000000 0.36943465751898 88.906 > 19 23 Y 0.14265038796891 0.58333333333333 0.36943465751898 88.906 > 19 24 Y 0.14265038796891 0.91666666666667 0.36943465751898 88.906 > 19 25 Y 0.14265038796891 0.25000000000000 0.70276799085231 88.906 > 19 26 Y 0.14265038796891 0.58333333333333 0.70276799085231 88.906 > 19 27 Y 0.14265038796891 0.91666666666667 0.70276799085231 88.906 > 19 28 Y 0.64265038796891 0.25000000000000 0.13056534248102 88.906 > 28 29 Y 0.64265038796891 0.58333333333333 0.13056534248102 88.906 > 28 30 Y 0.64265038796891 0.91666666666667 0.13056534248102 88.906 > 28 31 Y 0.64265038796891 0.25000000000000 0.46389867581435 88.906 > 28 32 Y 0.64265038796891 0.58333333333333 0.46389867581435 88.906 > 28 33 Y 0.64265038796891 0.91666666666667 0.46389867581435 88.906 > 28 34 Y 0.64265038796891 0.25000000000000 0.79723200914769 88.906 > 28 35 Y 0.64265038796891 0.58333333333333 0.79723200914769 88.906 > 28 36 Y 0.64265038796891 0.91666666666667 0.79723200914769 88.906 > 28 37 H 0.10474247162153 0.08333333333333 0.21253226347607 1.008 > 37 38 H 0.10474247162153 0.41666666666667 0.21253226347607 1.008 > 37 39 H 0.10474247162153 0.75000000000000 0.21253226347607 1.008 > 37 40 H 0.10474247162153 0.08333333333333 0.54586559680941 1.008 > 37 41 H 0.10474247162153 0.41666666666667 0.54586559680941 1.008 > 37 42 H 0.10474247162153 0.75000000000000 0.54586559680941 1.008 > 37 43 H 0.10474247162153 0.08333333333333 0.87919893014274 1.008 > 37 44 H 0.10474247162153 0.41666666666667 0.87919893014274 1.008 > 37 45 H 0.10474247162153 0.75000000000000 0.87919893014274 1.008 > 37 46 H 0.60474247162153 0.08333333333333 0.28746773652393 1.008 > 46 47 H 0.60474247162153 0.41666666666667 0.28746773652393 1.008 > 46 48 H 0.60474247162153 0.75000000000000 0.28746773652393 1.008 > 46 49 H 0.60474247162153 0.08333333333333 0.62080106985726 1.008 > 46 50 H 0.60474247162153 0.41666666666667 0.62080106985726 1.008 > 46 51 H 0.60474247162153 0.75000000000000 0.62080106985726 1.008 > 46 52 H 0.60474247162153 0.08333333333333 0.95413440319059 1.008 > 46 53 H 0.60474247162153 0.41666666666667 0.95413440319059 1.008 > 46 54 H 0.60474247162153 0.75000000000000 0.95413440319059 1.008 > 46 55 H 0.39525752837847 0.25000000000000 0.04586559680940 1.008 > 55 56 H 0.39525752837847 0.58333333333333 0.04586559680940 1.008 > 55 57 H 0.39525752837847 0.91666666666667 0.04586559680940 1.008 > 55 58 H 0.39525752837847 0.25000000000000 0.37919893014274 1.008 > 55 59 H 0.39525752837847 0.58333333333333 0.37919893014274 1.008 > 55 60 H 0.39525752837847 0.91666666666667 0.37919893014274 1.008 > 55 61 H 0.39525752837847 0.25000000000000 0.71253226347607 1.008 > 55 62 H 0.39525752837847 0.58333333333333 0.71253226347607 1.008 > 55 63 H 0.39525752837847 0.91666666666667 0.71253226347607 1.008 > 55 64 H 0.89525752837847 0.25000000000000 0.12080106985726 1.008 > 64 65 H 0.89525752837847 0.58333333333333 0.12080106985726 1.008 > 64 66 H 0.89525752837847 0.91666666666667 0.12080106985726 1.008 > 64 67 H 0.89525752837847 0.25000000000000 0.45413440319060 1.008 > 64 68 H 0.89525752837847 0.58333333333333 0.45413440319060 1.008 > 64 69 H 0.89525752837847 0.91666666666667 0.45413440319060 1.008 > 64 70 H 0.89525752837847 0.25000000000000 0.78746773652393 1.008 > 64 71 H 0.89525752837847 0.58333333333333 0.78746773652393 1.008 > 64 72 H 0.89525752837847 0.91666666666667 0.78746773652393 1.008 > 64 73 O 0.57054916806201 0.08333333333333 0.22366075322489 15.999 > 73 74 O 0.57054916806201 0.41666666666667 0.22366075322489 15.999 > 73 75 O 0.57054916806201 0.75000000000000 0.22366075322489 15.999 > 73 76 O 0.57054916806201 0.08333333333333 0.55699408655823 15.999 > 73 77 O 0.57054916806201 0.41666666666667 0.55699408655823 15.999 > 73 78 O 0.57054916806201 0.75000000000000 0.55699408655823 15.999 > 73 79 O 0.57054916806201 0.08333333333333 0.89032741989156 15.999 > 73 80 O 0.57054916806201 0.41666666666667 0.89032741989156 15.999 > 73 81 O 0.57054916806201 0.75000000000000 0.89032741989156 15.999 > 73 82 O 0.81362629977870 0.25000000000000 0.21281804633683 15.999 > 82 83 O 0.81362629977870 0.58333333333333 0.21281804633683 15.999 > 82 84 O 0.81362629977870 0.91666666666667 0.21281804633683 15.999 > 82 85 O 0.81362629977870 0.25000000000000 0.54615137967017 15.999 > 82 86 O 0.81362629977870 0.58333333333333 0.54615137967017 15.999 > 82 87 O 0.81362629977870 0.91666666666667 0.54615137967017 15.999 > 82 88 O 0.81362629977870 0.25000000000000 0.87948471300350 15.999 > 82 89 O 0.81362629977870 0.58333333333333 0.87948471300350 15.999 > 82 90 O 0.81362629977870 0.91666666666667 0.87948471300350 15.999 > 82 91 O 0.31362629977870 0.25000000000000 0.28718195366317 15.999 > 91 92 O 0.31362629977870 0.58333333333333 0.28718195366317 15.999 > 91 93 O 0.31362629977870 0.91666666666667 0.28718195366317 15.999 > 91 94 O 0.31362629977870 0.25000000000000 0.62051528699650 15.999 > 91 95 O 0.31362629977870 0.58333333333333 0.62051528699650 15.999 > 91 96 O 0.31362629977870 0.91666666666667 0.62051528699650 15.999 > 91 97 O 0.31362629977870 0.25000000000000 0.95384862032983 15.999 > 91 98 O 0.31362629977870 0.58333333333333 0.95384862032983 15.999 > 91 99 O 0.31362629977870 0.91666666666667 0.95384862032983 15.999 > 91 100 O 0.07054916806201 0.08333333333333 0.27633924677511 15.999 > 100 101 O 0.07054916806201 0.41666666666667 0.27633924677511 15.999 > 100 102 O 0.07054916806201 0.75000000000000 0.27633924677511 15.999 > 100 103 O 0.07054916806201 0.08333333333333 0.60967258010844 15.999 > 100 104 O 0.07054916806201 0.41666666666667 0.60967258010844 15.999 > 100 105 O 0.07054916806201 0.75000000000000 0.60967258010844 15.999 > 100 106 O 0.07054916806201 0.08333333333333 0.94300591344177 15.999 > 100 107 O 0.07054916806201 0.41666666666667 0.94300591344177 15.999 > 100 108 O 0.07054916806201 0.75000000000000 0.94300591344177 15.999 > 100 109 O 0.92945083193799 0.25000000000000 0.05699408655823 15.999 > 109 110 O 0.92945083193799 0.58333333333333 0.05699408655823 15.999 > 109 111 O 0.92945083193799 0.91666666666667 0.05699408655823 15.999 > 109 112 O 0.92945083193799 0.25000000000000 0.39032741989156 15.999 > 109 113 O 0.92945083193799 0.58333333333333 0.39032741989156 15.999 > 109 114 O 0.92945083193799 0.91666666666667 0.39032741989156 15.999 > 109 115 O 0.92945083193799 0.25000000000000 0.72366075322489 15.999 > 109 116 O 0.92945083193799 0.58333333333333 0.72366075322489 15.999 > 109 117 O 0.92945083193799 0.91666666666667 0.72366075322489 15.999 > 109 118 O 0.68637370022130 0.08333333333333 0.04615137967017 15.999 > 118 119 O 0.68637370022130 0.41666666666667 0.04615137967017 15.999 > 118 120 O 0.68637370022130 0.75000000000000 0.04615137967017 15.999 > 118 121 O 0.68637370022130 0.08333333333333 0.37948471300350 15.999 > 118 122 O 0.68637370022130 0.41666666666667 0.37948471300350 15.999 > 118 123 O 0.68637370022130 0.75000000000000 0.37948471300350 15.999 > 118 124 O 0.68637370022130 0.08333333333333 0.71281804633683 15.999 > 118 125 O 0.68637370022130 0.41666666666667 0.71281804633683 15.999 > 118 126 O 0.68637370022130 0.75000000000000 0.71281804633683 15.999 > 118 127 O 0.18637370022130 0.08333333333333 0.12051528699650 15.999 > 127 128 O 0.18637370022130 0.41666666666667 0.12051528699650 15.999 > 127 129 O 0.18637370022130 0.75000000000000 0.12051528699650 15.999 > 127 130 O 0.18637370022130 0.08333333333333 0.45384862032983 15.999 > 127 131 O 0.18637370022130 0.41666666666667 0.45384862032983 15.999 > 127 132 O 0.18637370022130 0.75000000000000 0.45384862032983 15.999 > 127 133 O 0.18637370022130 0.08333333333333 0.78718195366317 15.999 > 127 134 O 0.18637370022130 0.41666666666667 0.78718195366317 15.999 > 127 135 O 0.18637370022130 0.75000000000000 0.78718195366317 15.999 > 127 136 O 0.42945083193799 0.25000000000000 0.10967258010844 15.999 > 136 137 O 0.42945083193799 0.58333333333333 0.10967258010844 15.999 > 136 138 O 0.42945083193799 0.91666666666667 0.10967258010844 15.999 > 136 139 O 0.42945083193799 0.25000000000000 0.44300591344177 15.999 > 136 140 O 0.42945083193799 0.58333333333333 0.44300591344177 15.999 > 136 141 O 0.42945083193799 0.91666666666667 0.44300591344177 15.999 > 136 142 O 0.42945083193799 0.25000000000000 0.77633924677511 15.999 > 136 143 O 0.42945083193799 0.58333333333333 0.77633924677511 15.999 > 136 144 O 0.42945083193799 0.91666666666667 0.77633924677511 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5375634 0.0000000 0.0000000 0.0000000 3.6700329 0.0000000 0.0000000 0.0000000 3.5429486 -------------------------- Born effective charges -------------------------- 1 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 2 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 3 Y 3.6566958 0.0000000 0.0799398 0.0000000 4.0756045 0.0000000 -0.0266774 0.0000000 3.2624294 4 Y 3.6566958 0.0000000 -0.0799398 0.0000000 4.0756045 0.0000000 0.0266774 0.0000000 3.2624294 5 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 6 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 7 H 0.5725919 0.0000000 0.6311385 0.0000000 0.2310147 0.0000000 0.6303572 0.0000000 1.4248415 8 H 0.5725919 0.0000000 -0.6311385 0.0000000 0.2310147 0.0000000 -0.6303572 0.0000000 1.4248415 9 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 10 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 11 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 12 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 13 O -2.1971044 0.0000000 0.2218795 0.0000000 -1.7727928 0.0000000 0.2304161 0.0000000 -2.0812625 14 O -2.0321833 0.0000000 0.4423585 0.0000000 -2.5338264 0.0000000 0.4774803 0.0000000 -2.6060084 15 O -2.0321833 0.0000000 -0.4423585 0.0000000 -2.5338264 0.0000000 -0.4774803 0.0000000 -2.6060084 16 O -2.1971044 0.0000000 -0.2218795 0.0000000 -1.7727928 0.0000000 -0.2304161 0.0000000 -2.0812625 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 317, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 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 2.253 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.874 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.572 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 16.900 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 28.109 ( 0.000 0.000 0.000) 0.000 28.201 ( 0.000 0.000 0.000) 0.000 28.863 ( 0.000 0.000 0.000) 0.000 28.999 ( 0.000 0.000 0.000) 0.000 31.234 ( 0.000 0.000 0.000) 0.000 31.776 ( 0.000 0.000 0.000) 0.000 32.581 ( 0.000 0.000 0.000) 0.000 32.699 ( 0.000 0.000 0.000) 0.000 83.654 ( 0.000 0.000 0.000) 0.000 83.724 ( 0.000 0.000 0.000) 0.000 84.202 ( 0.000 0.000 0.000) 0.000 84.230 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 30.437 0.000 0.000) 30.437 0.663 ( 35.089 0.000 0.000) 35.089 1.011 ( 52.371 0.000 0.000) 52.371 2.106 ( -13.695 0.000 0.000) 13.695 2.361 ( -22.420 0.000 0.000) 22.420 3.310 ( 13.254 0.000 0.000) 13.254 3.824 ( -3.745 0.000 0.000) 3.745 3.979 ( -45.504 0.000 0.000) 45.504 4.318 ( 12.932 0.000 0.000) 12.932 5.059 ( -3.238 0.000 0.000) 3.238 5.503 ( 25.381 0.000 0.000) 25.381 6.317 ( -3.246 0.000 0.000) 3.246 7.135 ( 4.790 0.000 0.000) 4.790 7.521 ( 1.411 0.000 0.000) 1.411 7.651 ( -7.868 0.000 0.000) 7.868 7.654 ( -1.922 0.000 0.000) 1.922 8.344 ( 1.498 0.000 0.000) 1.498 8.442 ( -0.985 0.000 0.000) 0.985 8.929 ( 5.482 0.000 0.000) 5.482 9.334 ( -4.702 0.000 0.000) 4.702 10.469 ( 1.923 0.000 0.000) 1.923 10.568 ( -0.439 0.000 0.000) 0.439 11.250 ( 3.844 0.000 0.000) 3.844 11.551 ( 0.429 0.000 0.000) 0.429 11.602 ( -1.139 0.000 0.000) 1.139 11.682 ( 1.506 0.000 0.000) 1.506 11.763 ( -0.794 0.000 0.000) 0.794 11.831 ( -13.126 0.000 0.000) 13.126 12.989 ( 11.425 0.000 0.000) 11.425 13.461 ( -2.650 0.000 0.000) 2.650 14.176 ( 0.188 0.000 0.000) 0.188 14.249 ( -3.003 0.000 0.000) 3.003 14.380 ( 3.412 0.000 0.000) 3.412 14.544 ( -1.836 0.000 0.000) 1.836 17.218 ( 3.606 0.000 0.000) 3.606 17.502 ( -3.348 0.000 0.000) 3.348 28.117 ( 0.794 0.000 0.000) 0.794 28.191 ( -1.059 0.000 0.000) 1.059 28.878 ( 1.485 0.000 0.000) 1.485 28.987 ( -1.219 0.000 0.000) 1.219 31.801 ( 2.696 0.000 0.000) 2.696 32.052 ( -3.687 0.000 0.000) 3.687 32.599 ( 1.756 0.000 0.000) 1.756 32.692 ( -0.760 0.000 0.000) 0.760 83.682 ( 2.938 0.000 0.000) 2.938 84.042 ( -8.962 0.000 0.000) 8.962 84.391 ( 9.028 0.000 0.000) 9.028 84.757 ( -3.011 0.000 0.000) 3.011 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 27.997 0.000 0.000) 27.997 1.298 ( 32.781 0.000 0.000) 32.781 1.564 ( -12.953 0.000 0.000) 12.953 1.875 ( -28.941 0.000 0.000) 28.941 2.173 ( 41.722 0.000 0.000) 41.722 3.084 ( -49.969 0.000 0.000) 49.969 3.544 ( 11.194 0.000 0.000) 11.194 3.719 ( -7.530 0.000 0.000) 7.530 4.605 ( 16.432 0.000 0.000) 16.432 4.888 ( -13.100 0.000 0.000) 13.100 5.933 ( 19.042 0.000 0.000) 19.042 6.200 ( -9.883 0.000 0.000) 9.883 7.269 ( 9.404 0.000 0.000) 9.404 7.467 ( -11.063 0.000 0.000) 11.063 7.558 ( 2.469 0.000 0.000) 2.469 7.609 ( -2.770 0.000 0.000) 2.770 8.379 ( 2.082 0.000 0.000) 2.082 8.416 ( -1.780 0.000 0.000) 1.780 9.060 ( 8.151 0.000 0.000) 8.151 9.214 ( -7.805 0.000 0.000) 7.805 10.513 ( 2.484 0.000 0.000) 2.484 10.551 ( -1.467 0.000 0.000) 1.467 11.364 ( 8.634 0.000 0.000) 8.634 11.563 ( 0.808 0.000 0.000) 0.808 11.571 ( -13.327 0.000 0.000) 13.327 11.581 ( -1.090 0.000 0.000) 1.090 11.713 ( 1.684 0.000 0.000) 1.684 11.742 ( -1.400 0.000 0.000) 1.400 13.209 ( 11.002 0.000 0.000) 11.002 13.376 ( -6.716 0.000 0.000) 6.716 14.183 ( 0.692 0.000 0.000) 0.692 14.205 ( -1.740 0.000 0.000) 1.740 14.441 ( 3.189 0.000 0.000) 3.189 14.499 ( -2.901 0.000 0.000) 2.901 17.308 ( 5.704 0.000 0.000) 5.704 17.416 ( -5.544 0.000 0.000) 5.544 28.137 ( 1.388 0.000 0.000) 1.388 28.166 ( -1.547 0.000 0.000) 1.547 28.914 ( 2.235 0.000 0.000) 2.235 28.956 ( -2.075 0.000 0.000) 2.075 31.871 ( 4.649 0.000 0.000) 4.649 31.966 ( -5.190 0.000 0.000) 5.190 32.637 ( 2.064 0.000 0.000) 2.064 32.671 ( -1.519 0.000 0.000) 1.519 83.762 ( 5.575 0.000 0.000) 5.575 83.886 ( -7.649 0.000 0.000) 7.649 84.548 ( 7.761 0.000 0.000) 7.761 84.675 ( -5.690 0.000 0.000) 5.690 ======================= Grid point 5 (4/144) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 0.000 30.417 0.000) 30.417 0.727 ( 0.000 35.352 0.000) 35.352 1.423 ( 0.000 68.806 0.000) 68.806 2.340 ( 0.000 8.384 0.000) 8.384 2.781 ( 0.000 13.946 0.000) 13.946 3.344 ( 0.000 17.798 0.000) 17.798 3.986 ( 0.000 4.104 0.000) 4.104 4.250 ( 0.000 23.203 0.000) 23.203 4.818 ( 0.000 9.682 0.000) 9.682 4.881 ( 0.000 11.076 0.000) 11.076 5.224 ( 0.000 -3.344 0.000) 3.344 6.319 ( 0.000 -2.519 0.000) 2.519 7.112 ( 0.000 2.146 0.000) 2.146 7.583 ( 0.000 -10.697 0.000) 10.697 7.637 ( 0.000 -3.362 0.000) 3.362 8.465 ( 0.000 -0.340 0.000) 0.340 8.529 ( 0.000 15.872 0.000) 15.872 8.554 ( 0.000 4.921 0.000) 4.921 8.891 ( 0.000 1.744 0.000) 1.744 9.457 ( 0.000 -7.263 0.000) 7.263 9.784 ( 0.000 -1.406 0.000) 1.406 10.436 ( 0.000 -1.316 0.000) 1.316 10.601 ( 0.000 2.414 0.000) 2.414 11.215 ( 0.000 -0.085 0.000) 0.085 11.373 ( 0.000 -23.553 0.000) 23.553 11.627 ( 0.000 7.501 0.000) 7.501 11.721 ( 0.000 9.704 0.000) 9.704 11.966 ( 0.000 -1.011 0.000) 1.011 12.843 ( 0.000 -2.953 0.000) 2.953 13.759 ( 0.000 19.572 0.000) 19.572 14.148 ( 0.000 -2.519 0.000) 2.519 14.249 ( 0.000 -6.909 0.000) 6.909 14.313 ( 0.000 2.839 0.000) 2.839 16.633 ( 0.000 -3.433 0.000) 3.433 16.828 ( 0.000 -6.923 0.000) 6.923 17.076 ( 0.000 -10.184 0.000) 10.184 28.181 ( 0.000 6.813 0.000) 6.813 28.908 ( 0.000 4.232 0.000) 4.232 28.969 ( 0.000 3.184 0.000) 3.184 29.040 ( 0.000 3.968 0.000) 3.968 31.249 ( 0.000 1.406 0.000) 1.406 31.755 ( 0.000 -1.912 0.000) 1.912 32.560 ( 0.000 -1.994 0.000) 1.994 32.657 ( 0.000 -4.046 0.000) 4.046 83.647 ( 0.000 -0.684 0.000) 0.684 83.714 ( 0.000 -1.033 0.000) 1.033 84.166 ( 0.000 -3.312 0.000) 3.312 84.181 ( 0.000 -4.556 0.000) 4.556 ======================= Grid point 6 (5/144) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 20.583 21.463 0.000) 29.737 0.932 ( 21.339 24.871 0.000) 32.771 1.747 ( 27.372 53.431 0.000) 60.034 2.193 ( -11.412 10.565 0.000) 15.551 2.511 ( -23.423 12.565 0.000) 26.581 3.525 ( 13.571 18.715 0.000) 23.118 4.036 ( 1.028 13.347 0.000) 13.387 4.149 ( -40.430 17.262 0.000) 43.961 4.321 ( 9.558 10.392 0.000) 14.120 5.062 ( -5.787 0.186 0.000) 5.790 5.515 ( 25.631 2.144 0.000) 25.720 6.292 ( -3.189 -2.400 0.000) 3.991 7.135 ( 3.083 1.620 0.000) 3.483 7.529 ( -5.527 -8.755 0.000) 10.354 7.632 ( -0.402 -2.493 0.000) 2.526 7.928 ( -25.714 19.610 0.000) 32.338 8.490 ( -0.295 3.984 0.000) 3.995 8.513 ( -1.342 13.601 0.000) 13.667 8.947 ( 5.555 2.142 0.000) 5.953 9.345 ( -5.232 0.780 0.000) 5.290 10.460 ( 2.387 -0.913 0.000) 2.556 10.569 ( 7.673 -8.507 0.000) 11.456 10.687 ( 32.964 -34.714 0.000) 47.872 11.248 ( 3.418 -0.115 0.000) 3.420 11.362 ( -1.004 -24.875 0.000) 24.895 11.630 ( 0.243 7.197 0.000) 7.201 11.711 ( -0.983 9.378 0.000) 9.429 11.846 ( -11.077 -0.342 0.000) 11.082 13.001 ( 14.570 -2.757 0.000) 14.828 13.708 ( -5.638 15.557 0.000) 16.547 14.150 ( 0.161 -2.730 0.000) 2.734 14.195 ( -2.667 -5.306 0.000) 5.938 14.424 ( 8.800 6.804 0.000) 11.124 15.610 ( -49.574 41.675 0.000) 64.765 17.108 ( 3.308 -10.402 0.000) 10.915 17.247 ( 7.883 -18.321 0.000) 19.945 28.194 ( 1.454 7.305 0.000) 7.448 28.560 ( -20.146 20.010 0.000) 28.395 28.931 ( 1.257 5.041 0.000) 5.195 29.030 ( -1.121 4.054 0.000) 4.206 31.668 ( 19.661 -18.795 0.000) 27.199 31.774 ( 1.950 -2.485 0.000) 3.159 32.565 ( 0.822 -2.447 0.000) 2.581 32.649 ( -0.790 -4.041 0.000) 4.117 83.673 ( 2.862 -0.806 0.000) 2.973 84.017 ( -8.303 -2.363 0.000) 8.633 84.161 ( 25.249 -26.558 0.000) 36.644 84.318 ( 6.911 -6.586 0.000) 9.547 ======================= Grid point 7 (6/144) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 24.425 13.259 0.000) 27.792 1.417 ( 26.103 12.680 0.000) 29.020 1.744 ( -18.057 13.054 0.000) 22.281 2.014 ( -28.626 11.486 0.000) 30.844 2.541 ( 40.473 35.522 0.000) 53.850 3.334 ( -42.415 24.075 0.000) 48.771 3.795 ( 10.672 22.574 0.000) 24.969 3.970 ( -7.170 21.810 0.000) 22.958 4.583 ( 16.295 0.075 0.000) 16.296 4.871 ( -13.606 -1.111 0.000) 13.652 5.929 ( 17.962 0.114 0.000) 17.963 6.181 ( -9.311 -1.650 0.000) 9.456 7.236 ( 7.507 -1.124 0.000) 7.590 7.393 ( -8.537 -4.934 0.000) 9.860 7.630 ( 0.501 0.950 0.000) 1.074 7.676 ( -5.621 8.011 0.000) 9.786 8.487 ( -0.022 5.901 0.000) 5.902 8.492 ( -0.702 9.419 0.000) 9.446 9.077 ( 7.925 2.107 0.000) 8.200 9.225 ( -7.546 1.520 0.000) 7.698 10.515 ( 3.134 0.046 0.000) 3.135 10.564 ( -1.904 0.901 0.000) 2.107 11.133 ( 13.277 -36.760 0.000) 39.084 11.277 ( -3.259 -21.791 0.000) 22.033 11.396 ( 7.189 -7.722 0.000) 10.551 11.578 ( -9.813 -0.456 0.000) 9.823 11.678 ( -1.673 7.314 0.000) 7.503 11.689 ( -1.285 8.774 0.000) 8.867 13.296 ( 15.546 0.815 0.000) 15.568 13.549 ( -11.253 7.602 0.000) 13.581 14.154 ( 0.294 -3.178 0.000) 3.192 14.164 ( -0.914 -3.971 0.000) 4.075 14.629 ( 13.668 18.319 0.000) 22.856 14.962 ( -23.582 33.252 0.000) 40.765 17.188 ( 4.838 -11.222 0.000) 12.220 17.268 ( -2.943 -13.335 0.000) 13.656 28.237 ( 3.304 9.107 0.000) 9.688 28.329 ( -7.182 13.452 0.000) 15.249 28.963 ( 2.016 4.651 0.000) 5.069 29.001 ( -1.896 4.299 0.000) 4.699 31.818 ( 2.402 -4.652 0.000) 5.236 31.836 ( 1.738 -10.183 0.000) 10.330 32.593 ( 1.933 -3.610 0.000) 4.095 32.627 ( -1.576 -3.990 0.000) 4.290 83.751 ( 5.392 -1.026 0.000) 5.489 83.870 ( -7.283 -1.491 0.000) 7.434 84.418 ( 4.802 -19.306 0.000) 19.894 84.419 ( 3.467 -11.155 0.000) 11.681 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 32.841 0.000) 32.841 1.438 ( 0.000 34.193 0.000) 34.193 2.535 ( 0.000 17.026 0.000) 17.026 2.833 ( 0.000 62.006 0.000) 62.006 3.082 ( 0.000 13.525 0.000) 13.525 3.718 ( 0.000 15.543 0.000) 15.543 4.018 ( 0.000 0.939 0.000) 0.939 4.945 ( 0.000 40.584 0.000) 40.584 5.127 ( 0.000 -1.929 0.000) 1.929 5.180 ( 0.000 22.687 0.000) 22.687 5.244 ( 0.000 24.305 0.000) 24.305 6.236 ( 0.000 -5.695 0.000) 5.695 7.187 ( 0.000 5.515 0.000) 5.515 7.383 ( 0.000 -7.923 0.000) 7.923 7.549 ( 0.000 -5.019 0.000) 5.019 8.422 ( 0.000 -3.685 0.000) 3.685 8.704 ( 0.000 8.975 0.000) 8.975 8.882 ( 0.000 17.725 0.000) 17.725 8.954 ( 0.000 4.781 0.000) 4.781 9.268 ( 0.000 -10.450 0.000) 10.450 9.766 ( 0.000 0.078 0.000) 0.078 10.397 ( 0.000 -2.534 0.000) 2.534 10.646 ( 0.000 1.414 0.000) 1.414 10.849 ( 0.000 -25.351 0.000) 25.351 11.226 ( 0.000 0.733 0.000) 0.733 11.833 ( 0.000 12.027 0.000) 12.027 11.939 ( 0.000 -1.471 0.000) 1.471 11.973 ( 0.000 13.978 0.000) 13.978 12.762 ( 0.000 -4.654 0.000) 4.654 13.949 ( 0.000 -1.687 0.000) 1.687 14.052 ( 0.000 -12.002 0.000) 12.002 14.075 ( 0.000 -4.569 0.000) 4.569 14.575 ( 0.000 21.111 0.000) 21.111 16.528 ( 0.000 -6.896 0.000) 6.896 16.626 ( 0.000 -12.508 0.000) 12.508 16.789 ( 0.000 -17.245 0.000) 17.245 28.372 ( 0.000 11.464 0.000) 11.464 29.029 ( 0.000 7.361 0.000) 7.361 29.062 ( 0.000 5.793 0.000) 5.793 29.152 ( 0.000 6.620 0.000) 6.620 31.292 ( 0.000 2.862 0.000) 2.862 31.707 ( 0.000 -2.492 0.000) 2.492 32.501 ( 0.000 -3.766 0.000) 3.766 32.543 ( 0.000 -6.783 0.000) 6.783 83.628 ( 0.000 -1.165 0.000) 1.165 83.684 ( 0.000 -1.770 0.000) 1.770 84.063 ( 0.000 -6.449 0.000) 6.449 84.079 ( 0.000 -4.946 0.000) 4.946 ======================= Grid point 11 (8/144) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 11.693 29.737 0.000) 31.953 1.516 ( 9.144 30.490 0.000) 31.832 2.390 ( -14.673 15.963 0.000) 21.682 2.777 ( -25.365 12.279 0.000) 28.181 3.012 ( 18.537 59.799 0.000) 62.606 3.935 ( 15.525 18.142 0.000) 23.878 4.129 ( 10.479 0.800 0.000) 10.510 4.682 ( -28.931 32.689 0.000) 43.653 4.898 ( -4.567 37.750 0.000) 38.026 5.058 ( -7.091 0.012 0.000) 7.091 5.660 ( 20.797 13.938 0.000) 25.036 6.224 ( -1.634 -3.985 0.000) 4.307 7.201 ( 1.547 4.816 0.000) 5.058 7.364 ( -1.995 -6.600 0.000) 6.895 7.570 ( 2.329 -3.411 0.000) 4.130 8.172 ( -23.194 5.925 0.000) 23.939 8.572 ( -1.285 3.781 0.000) 3.993 8.792 ( -6.081 11.957 0.000) 13.415 9.048 ( 6.581 8.858 0.000) 11.035 9.360 ( 0.274 0.576 0.000) 0.638 10.064 ( 24.900 -17.450 0.000) 30.406 10.431 ( 3.360 -2.035 0.000) 3.928 10.636 ( -1.111 0.999 0.000) 1.494 10.826 ( -2.931 -25.584 0.000) 25.752 11.252 ( 3.154 0.404 0.000) 3.180 11.773 ( -8.541 2.592 0.000) 8.925 11.892 ( -1.426 8.591 0.000) 8.709 11.960 ( -1.364 13.933 0.000) 14.000 12.908 ( 14.082 -5.769 0.000) 15.218 13.822 ( -12.021 -4.139 0.000) 12.714 14.048 ( -0.045 -8.434 0.000) 8.434 14.070 ( -0.442 -4.921 0.000) 4.941 14.729 ( 14.475 20.131 0.000) 24.795 16.050 ( -30.491 7.826 0.000) 31.479 16.817 ( 2.828 -17.403 0.000) 17.631 16.870 ( 8.170 -18.377 0.000) 20.111 28.396 ( 2.578 11.889 0.000) 12.165 28.861 ( -14.113 11.385 0.000) 18.132 29.068 ( 0.945 7.870 0.000) 7.926 29.143 ( -0.874 6.756 0.000) 6.813 31.456 ( 13.039 -4.095 0.000) 13.667 31.713 ( 0.511 -3.093 0.000) 3.135 32.500 ( -0.029 -3.977 0.000) 3.977 32.538 ( -0.589 -6.606 0.000) 6.632 83.651 ( 2.630 -1.336 0.000) 2.949 83.841 ( 13.429 -8.737 0.000) 16.021 83.953 ( -6.692 -3.725 0.000) 7.659 84.155 ( 2.989 -8.516 0.000) 9.025 ======================= Grid point 12 (9/144) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 18.119 23.904 0.000) 29.995 1.781 ( 16.802 21.633 0.000) 27.392 2.064 ( -16.592 18.534 0.000) 24.876 2.278 ( -26.341 14.014 0.000) 29.837 3.462 ( 28.116 50.455 0.000) 57.760 3.981 ( -21.960 34.685 0.000) 41.053 4.325 ( 7.439 6.303 0.000) 9.750 4.331 ( 1.317 26.296 0.000) 26.329 4.814 ( -2.190 26.183 0.000) 26.275 4.893 ( -9.141 5.458 0.000) 10.646 5.979 ( 13.242 6.327 0.000) 14.675 6.156 ( -6.123 0.343 0.000) 6.133 7.247 ( 3.269 1.956 0.000) 3.809 7.312 ( -3.390 -2.694 0.000) 4.330 7.643 ( 5.978 0.534 0.000) 6.002 7.818 ( -13.642 5.579 0.000) 14.739 8.602 ( 3.328 4.565 0.000) 5.650 8.684 ( -5.319 8.209 0.000) 9.782 9.176 ( 6.967 8.066 0.000) 10.659 9.297 ( -5.639 5.817 0.000) 8.102 10.463 ( 15.551 -22.406 0.000) 27.274 10.507 ( 4.222 -1.100 0.000) 4.363 10.604 ( -1.551 -2.805 0.000) 3.205 10.722 ( -8.456 -25.655 0.000) 27.013 11.359 ( 8.537 -0.597 0.000) 8.558 11.560 ( -12.322 -1.026 0.000) 12.364 11.898 ( 1.282 13.169 0.000) 13.231 11.929 ( -1.807 13.759 0.000) 13.877 13.222 ( 18.173 -6.800 0.000) 19.404 13.550 ( -16.545 -5.986 0.000) 17.595 14.051 ( 0.343 -6.785 0.000) 6.793 14.060 ( -0.582 -5.764 0.000) 5.793 15.064 ( 21.009 20.375 0.000) 29.267 15.508 ( -26.713 18.292 0.000) 32.376 16.882 ( 3.619 -17.940 0.000) 18.301 16.929 ( -0.661 -18.786 0.000) 18.798 28.472 ( 5.819 13.079 0.000) 14.315 28.622 ( -10.524 14.177 0.000) 17.656 29.092 ( 1.524 7.601 0.000) 7.753 29.121 ( -1.460 7.126 0.000) 7.274 31.649 ( 6.642 -6.929 0.000) 9.598 31.713 ( -1.017 -4.894 0.000) 4.998 32.505 ( 0.698 -4.897 0.000) 4.946 32.522 ( -0.985 -5.992 0.000) 6.073 83.723 ( 4.926 -1.702 0.000) 5.211 83.829 ( -6.366 -2.421 0.000) 6.811 84.068 ( 9.234 -13.684 0.000) 16.508 84.169 ( -1.933 -11.905 0.000) 12.061 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.000 32.039 0.000) 32.039 2.118 ( 0.000 32.362 0.000) 32.362 2.850 ( 0.000 15.664 0.000) 15.664 3.310 ( 0.000 9.414 0.000) 9.414 3.931 ( 0.000 5.956 0.000) 5.956 4.047 ( 0.000 1.948 0.000) 1.948 4.087 ( 0.000 57.507 0.000) 57.507 5.018 ( 0.000 -5.985 0.000) 5.985 5.791 ( 0.000 40.155 0.000) 40.155 5.810 ( 0.000 28.396 0.000) 28.396 5.836 ( 0.000 36.251 0.000) 36.251 6.091 ( 0.000 -8.044 0.000) 8.044 7.292 ( 0.000 -0.009 0.000) 0.009 7.342 ( 0.000 9.670 0.000) 9.670 7.439 ( 0.000 -5.427 0.000) 5.427 8.322 ( 0.000 -5.696 0.000) 5.696 8.901 ( 0.000 10.134 0.000) 10.134 9.055 ( 0.000 -9.861 0.000) 9.861 9.096 ( 0.000 9.248 0.000) 9.248 9.233 ( 0.000 16.546 0.000) 16.546 9.792 ( 0.000 2.128 0.000) 2.128 10.329 ( 0.000 -4.250 0.000) 4.250 10.370 ( 0.000 -21.182 0.000) 21.182 10.644 ( 0.000 -1.729 0.000) 1.729 11.253 ( 0.000 2.049 0.000) 2.049 11.911 ( 0.000 -1.115 0.000) 1.115 12.083 ( 0.000 11.312 0.000) 11.312 12.254 ( 0.000 12.810 0.000) 12.810 12.677 ( 0.000 -2.789 0.000) 2.789 13.777 ( 0.000 -14.481 0.000) 14.481 13.838 ( 0.000 -7.300 0.000) 7.300 13.966 ( 0.000 -5.935 0.000) 5.935 14.981 ( 0.000 16.475 0.000) 16.475 16.334 ( 0.000 -15.658 0.000) 15.658 16.353 ( 0.000 -10.096 0.000) 10.096 16.401 ( 0.000 -20.165 0.000) 20.165 28.630 ( 0.000 13.448 0.000) 13.448 29.196 ( 0.000 8.689 0.000) 8.689 29.198 ( 0.000 7.326 0.000) 7.326 29.297 ( 0.000 7.262 0.000) 7.262 31.366 ( 0.000 4.325 0.000) 4.325 31.663 ( 0.000 -1.568 0.000) 1.568 32.391 ( 0.000 -7.945 0.000) 7.945 32.409 ( 0.000 -5.161 0.000) 5.161 83.602 ( 0.000 -1.335 0.000) 1.335 83.645 ( 0.000 -2.046 0.000) 2.046 83.936 ( 0.000 -5.676 0.000) 5.676 83.977 ( 0.000 -4.808 0.000) 4.808 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 7.465 30.611 0.000) 31.508 2.143 ( 3.239 30.497 0.000) 30.669 2.735 ( -11.337 17.735 0.000) 21.050 3.011 ( -23.420 11.208 0.000) 25.964 4.124 ( 8.789 11.155 0.000) 14.201 4.193 ( 19.021 7.193 0.000) 20.336 4.220 ( 12.296 44.238 0.000) 45.915 4.946 ( -7.225 -3.927 0.000) 8.223 5.501 ( -17.480 37.974 0.000) 41.804 5.625 ( -13.739 26.832 0.000) 30.145 6.086 ( 11.656 25.512 0.000) 28.048 6.193 ( 6.905 5.743 0.000) 8.981 7.282 ( -0.439 -0.984 0.000) 1.077 7.332 ( -1.017 7.974 0.000) 8.038 7.502 ( 6.015 -2.737 0.000) 6.608 8.210 ( -14.015 -1.337 0.000) 14.079 8.652 ( -5.856 4.231 0.000) 7.225 9.002 ( -7.852 10.121 0.000) 12.809 9.299 ( 4.926 14.219 0.000) 15.048 9.359 ( 12.665 -0.681 0.000) 12.683 9.854 ( 7.866 -4.141 0.000) 8.890 10.347 ( -1.962 -18.711 0.000) 18.813 10.376 ( 3.956 -5.653 0.000) 6.900 10.631 ( -1.567 -1.684 0.000) 2.300 11.270 ( 2.232 1.574 0.000) 2.731 11.774 ( -11.601 -0.614 0.000) 11.617 12.133 ( 3.087 12.204 0.000) 12.588 12.243 ( -1.119 13.102 0.000) 13.150 12.788 ( 11.194 -5.256 0.000) 12.366 13.638 ( -11.991 -12.096 0.000) 17.032 13.872 ( 1.610 -8.536 0.000) 8.686 13.955 ( -1.152 -6.242 0.000) 6.348 15.100 ( 11.855 14.522 0.000) 18.747 16.068 ( -17.165 -4.430 0.000) 17.728 16.427 ( 2.667 -20.142 0.000) 20.318 16.498 ( 4.731 -17.926 0.000) 18.540 28.659 ( 3.126 13.548 0.000) 13.904 29.074 ( -9.024 9.924 0.000) 13.413 29.237 ( 1.268 8.401 0.000) 8.496 29.291 ( -0.561 7.418 0.000) 7.439 31.439 ( 6.696 1.584 0.000) 6.881 31.661 ( -0.439 -1.835 0.000) 1.887 32.390 ( -0.052 -7.666 0.000) 7.666 32.404 ( -0.504 -5.324 0.000) 5.348 83.622 ( 2.314 -1.472 0.000) 2.742 83.717 ( 6.777 -4.320 0.000) 8.037 83.874 ( -4.833 -3.828 0.000) 6.165 83.995 ( 0.087 -6.883 0.000) 6.883 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 12.514 26.879 0.000) 29.649 2.261 ( 8.904 24.771 0.000) 26.322 2.485 ( -12.944 22.128 0.000) 25.636 2.593 ( -19.533 17.055 0.000) 25.931 4.329 ( 11.290 6.081 0.000) 12.824 4.438 ( 3.461 7.791 0.000) 8.526 4.500 ( 16.606 38.309 0.000) 41.753 4.773 ( -11.375 12.546 0.000) 16.935 5.251 ( -5.200 32.336 0.000) 32.752 5.360 ( -13.083 21.741 0.000) 25.374 6.246 ( 5.330 19.569 0.000) 20.282 6.279 ( 1.734 14.016 0.000) 14.123 7.287 ( 0.886 0.332 0.000) 0.946 7.309 ( -1.354 4.034 0.000) 4.256 7.653 ( 10.380 0.584 0.000) 10.397 7.899 ( -16.056 2.360 0.000) 16.228 8.688 ( 6.589 4.988 0.000) 8.264 8.840 ( -8.989 8.228 0.000) 12.187 9.389 ( 4.400 11.802 0.000) 12.596 9.447 ( -0.951 7.944 0.000) 8.000 10.067 ( 12.536 -14.686 0.000) 19.309 10.260 ( -7.559 -18.618 0.000) 20.094 10.478 ( 6.033 -2.830 0.000) 6.664 10.578 ( -4.264 -1.925 0.000) 4.678 11.356 ( 7.383 0.427 0.000) 7.396 11.543 ( -12.109 -0.444 0.000) 12.117 12.180 ( 2.126 13.559 0.000) 13.725 12.216 ( -1.744 13.609 0.000) 13.720 13.055 ( 16.484 -8.768 0.000) 18.671 13.368 ( -16.324 -10.808 0.000) 19.578 13.899 ( 1.427 -7.843 0.000) 7.971 13.928 ( -1.617 -6.988 0.000) 7.173 15.382 ( 17.501 10.349 0.000) 20.332 15.726 ( -18.956 4.166 0.000) 19.408 16.487 ( 3.290 -20.092 0.000) 20.360 16.531 ( -0.816 -19.753 0.000) 19.770 28.748 ( 6.393 13.588 0.000) 15.017 28.896 ( -9.268 12.675 0.000) 15.702 29.258 ( 1.080 8.282 0.000) 8.352 29.277 ( -0.948 7.824 0.000) 7.881 31.564 ( 5.716 -1.664 0.000) 5.954 31.638 ( -2.329 -2.301 0.000) 3.274 32.390 ( 0.078 -6.888 0.000) 6.889 32.394 ( -0.428 -5.935 0.000) 5.950 83.685 ( 4.352 -1.858 0.000) 4.732 83.777 ( -5.287 -2.572 0.000) 5.880 83.856 ( 7.218 -7.568 0.000) 10.458 83.962 ( -3.772 -8.268 0.000) 9.088 ======================= Grid point 20 (13/144) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 27.682 0.000) 27.682 2.755 ( 0.000 30.064 0.000) 30.064 3.170 ( 0.000 15.478 0.000) 15.478 3.502 ( 0.000 10.156 0.000) 10.156 3.995 ( 0.000 0.874 0.000) 0.874 4.095 ( 0.000 2.618 0.000) 2.618 4.885 ( 0.000 -7.176 0.000) 7.176 5.068 ( 0.000 32.826 0.000) 32.826 5.980 ( 0.000 2.172 0.000) 2.172 6.283 ( 0.000 15.998 0.000) 15.998 6.507 ( 0.000 28.482 0.000) 28.482 6.536 ( 0.000 28.915 0.000) 28.915 7.357 ( 0.000 -0.856 0.000) 0.856 7.425 ( 0.000 13.238 0.000) 13.238 7.575 ( 0.000 12.686 0.000) 12.686 8.214 ( 0.000 -4.161 0.000) 4.161 8.890 ( 0.000 -5.602 0.000) 5.602 9.121 ( 0.000 11.645 0.000) 11.645 9.328 ( 0.000 13.203 0.000) 13.203 9.555 ( 0.000 14.786 0.000) 14.786 9.833 ( 0.000 1.372 0.000) 1.372 9.996 ( 0.000 -15.162 0.000) 15.162 10.220 ( 0.000 -6.523 0.000) 6.523 10.574 ( 0.000 -5.033 0.000) 5.033 11.317 ( 0.000 4.496 0.000) 4.496 11.898 ( 0.000 -0.106 0.000) 0.106 12.227 ( 0.000 1.747 0.000) 1.747 12.473 ( 0.000 8.104 0.000) 8.104 12.707 ( 0.000 6.763 0.000) 6.763 13.480 ( 0.000 -14.038 0.000) 14.038 13.684 ( 0.000 -7.508 0.000) 7.508 13.836 ( 0.000 -6.714 0.000) 6.714 15.222 ( 0.000 7.236 0.000) 7.236 15.992 ( 0.000 -19.260 0.000) 19.260 16.009 ( 0.000 -15.639 0.000) 15.639 16.122 ( 0.000 -12.313 0.000) 12.313 28.906 ( 0.000 13.266 0.000) 13.266 29.351 ( 0.000 7.461 0.000) 7.461 29.370 ( 0.000 8.111 0.000) 8.111 29.434 ( 0.000 5.926 0.000) 5.926 31.468 ( 0.000 5.626 0.000) 5.626 31.648 ( 0.000 0.160 0.000) 0.160 32.227 ( 0.000 -7.964 0.000) 7.964 32.293 ( 0.000 -6.128 0.000) 6.128 83.575 ( 0.000 -1.209 0.000) 1.209 83.604 ( 0.000 -1.873 0.000) 1.873 83.839 ( 0.000 -3.750 0.000) 3.750 83.889 ( 0.000 -3.761 0.000) 3.761 ======================= Grid point 21 (14/144) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 5.206 26.958 0.000) 27.456 2.752 ( 0.035 29.000 0.000) 29.000 3.101 ( -7.015 17.872 0.000) 19.200 3.260 ( -17.651 13.543 0.000) 22.248 4.165 ( 7.145 1.223 0.000) 7.249 4.259 ( 19.375 0.086 0.000) 19.375 4.830 ( -4.866 -6.857 0.000) 8.408 5.091 ( 1.231 25.314 0.000) 25.344 5.890 ( -6.816 12.520 0.000) 14.255 6.186 ( -9.125 25.405 0.000) 26.995 6.580 ( 5.894 23.564 0.000) 24.290 6.589 ( 4.479 21.958 0.000) 22.410 7.311 ( -1.349 2.631 0.000) 2.957 7.518 ( -5.273 9.939 0.000) 11.251 7.531 ( 7.853 8.414 0.000) 11.509 8.162 ( -8.004 -2.347 0.000) 8.341 8.747 ( -3.001 5.348 0.000) 6.133 9.240 ( -8.363 13.337 0.000) 15.742 9.371 ( 15.855 3.115 0.000) 16.158 9.588 ( 2.621 13.545 0.000) 13.796 9.835 ( 0.442 0.656 0.000) 0.791 9.993 ( -0.669 -14.127 0.000) 14.143 10.274 ( 5.447 -6.037 0.000) 8.132 10.565 ( -1.258 -4.725 0.000) 4.889 11.324 ( 1.149 3.942 0.000) 4.106 11.770 ( -11.199 0.411 0.000) 11.207 12.306 ( 6.082 2.789 0.000) 6.691 12.468 ( -0.539 8.287 0.000) 8.305 12.753 ( 5.187 3.678 0.000) 6.359 13.377 ( -9.971 -12.557 0.000) 16.035 13.705 ( 1.690 -7.825 0.000) 8.005 13.820 ( -1.624 -6.849 0.000) 7.039 15.302 ( 8.108 5.491 0.000) 9.792 15.909 ( -8.679 -10.360 0.000) 13.515 16.021 ( 2.868 -19.097 0.000) 19.311 16.150 ( 1.120 -15.873 0.000) 15.912 28.934 ( 3.013 13.124 0.000) 13.465 29.269 ( -6.269 9.091 0.000) 11.043 29.401 ( 1.241 7.501 0.000) 7.603 29.432 ( -0.210 6.103 0.000) 6.107 31.502 ( 3.284 4.296 0.000) 5.407 31.644 ( -0.602 0.205 0.000) 0.636 32.231 ( 0.506 -7.740 0.000) 7.757 32.285 ( -0.824 -6.233 0.000) 6.287 83.593 ( 2.064 -1.266 0.000) 2.421 83.647 ( 4.125 -2.741 0.000) 4.953 83.803 ( -3.347 -2.934 0.000) 4.450 83.879 ( -1.440 -4.521 0.000) 4.745 ======================= Grid point 22 (15/144) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 8.306 24.845 0.000) 26.197 2.777 ( 2.487 25.501 0.000) 25.622 2.942 ( -8.240 22.168 0.000) 23.650 2.976 ( -11.351 20.288 0.000) 23.248 4.337 ( 10.313 -0.932 0.000) 10.355 4.482 ( -1.067 -0.989 0.000) 1.455 4.827 ( 9.341 -4.281 0.000) 10.275 5.038 ( -8.403 6.143 0.000) 10.409 5.839 ( 3.162 30.561 0.000) 30.724 5.987 ( -10.924 33.866 0.000) 35.584 6.663 ( 2.649 18.002 0.000) 18.196 6.667 ( 2.504 19.190 0.000) 19.352 7.329 ( 3.022 3.628 0.000) 4.722 7.411 ( -5.526 6.040 0.000) 8.187 7.699 ( 10.549 5.284 0.000) 11.798 7.932 ( -14.010 1.685 0.000) 14.111 8.838 ( 10.037 9.984 0.000) 14.157 9.049 ( -11.541 12.397 0.000) 16.937 9.590 ( 6.460 5.710 0.000) 8.622 9.627 ( 1.015 11.075 0.000) 11.122 9.869 ( 3.863 -4.758 0.000) 6.129 9.954 ( -3.814 -11.186 0.000) 11.819 10.399 ( 7.159 -5.016 0.000) 8.741 10.513 ( -4.581 -4.448 0.000) 6.385 11.384 ( 5.923 2.562 0.000) 6.454 11.549 ( -11.296 1.231 0.000) 11.363 12.402 ( 3.777 6.258 0.000) 7.310 12.450 ( -1.579 8.195 0.000) 8.346 12.909 ( 11.301 -3.754 0.000) 11.909 13.149 ( -13.532 -9.485 0.000) 16.525 13.740 ( 2.091 -7.611 0.000) 7.893 13.782 ( -2.323 -7.195 0.000) 7.560 15.495 ( 11.806 1.283 0.000) 11.876 15.717 ( -11.539 -4.202 0.000) 12.280 16.086 ( 3.676 -18.678 0.000) 19.036 16.142 ( -1.961 -17.879 0.000) 17.986 29.016 ( 5.684 12.534 0.000) 13.762 29.139 ( -7.205 11.146 0.000) 13.272 29.418 ( 0.620 7.111 0.000) 7.138 29.427 ( -0.395 6.565 0.000) 6.577 31.570 ( 3.511 1.982 0.000) 4.032 31.621 ( -1.928 0.608 0.000) 2.021 32.245 ( 0.963 -7.181 0.000) 7.246 32.266 ( -1.166 -6.592 0.000) 6.694 83.650 ( 3.849 -1.534 0.000) 4.144 83.729 ( -4.374 -2.060 0.000) 4.835 83.739 ( 5.313 -4.262 0.000) 6.811 83.828 ( -3.936 -4.970 0.000) 6.340 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 0.000 21.375 0.000) 21.375 3.341 ( 0.000 27.119 0.000) 27.119 3.473 ( 0.000 14.031 0.000) 14.031 3.741 ( 0.000 13.246 0.000) 13.246 3.977 ( 0.000 -2.678 0.000) 2.678 4.141 ( 0.000 1.640 0.000) 1.640 4.721 ( 0.000 -8.917 0.000) 8.917 5.223 ( 0.000 -10.632 0.000) 10.632 6.353 ( 0.000 26.872 0.000) 26.872 6.484 ( 0.000 5.746 0.000) 5.746 6.855 ( 0.000 2.277 0.000) 2.277 6.919 ( 0.000 12.151 0.000) 12.151 7.522 ( 0.000 16.643 0.000) 16.643 7.756 ( 0.000 16.220 0.000) 16.220 7.829 ( 0.000 11.141 0.000) 11.141 8.169 ( 0.000 -0.556 0.000) 0.556 8.864 ( 0.000 3.924 0.000) 3.924 9.370 ( 0.000 11.973 0.000) 11.973 9.615 ( 0.000 14.169 0.000) 14.169 9.730 ( 0.000 -5.521 0.000) 5.521 9.836 ( 0.000 -0.784 0.000) 0.784 9.858 ( 0.000 9.167 0.000) 9.167 10.064 ( 0.000 -8.633 0.000) 8.633 10.445 ( 0.000 -7.500 0.000) 7.500 11.454 ( 0.000 9.452 0.000) 9.452 11.910 ( 0.000 1.275 0.000) 1.275 12.192 ( 0.000 -3.739 0.000) 3.739 12.557 ( 0.000 -0.917 0.000) 0.917 12.911 ( 0.000 11.563 0.000) 11.563 13.239 ( 0.000 -8.320 0.000) 8.320 13.537 ( 0.000 -6.915 0.000) 6.915 13.694 ( 0.000 -7.270 0.000) 7.270 15.295 ( 0.000 0.590 0.000) 0.590 15.637 ( 0.000 -15.128 0.000) 15.128 15.720 ( 0.000 -12.126 0.000) 12.126 15.865 ( 0.000 -12.455 0.000) 12.455 29.161 ( 0.000 11.461 0.000) 11.461 29.492 ( 0.000 6.148 0.000) 6.148 29.516 ( 0.000 6.016 0.000) 6.016 29.528 ( 0.000 3.091 0.000) 3.091 31.593 ( 0.000 6.553 0.000) 6.553 31.671 ( 0.000 1.983 0.000) 1.983 32.070 ( 0.000 -7.305 0.000) 7.305 32.162 ( 0.000 -6.712 0.000) 6.712 83.554 ( 0.000 -0.869 0.000) 0.869 83.570 ( 0.000 -1.393 0.000) 1.393 83.782 ( 0.000 -1.864 0.000) 1.864 83.824 ( 0.000 -2.556 0.000) 2.556 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 4.487 21.495 0.000) 21.958 3.316 ( -1.842 25.612 0.000) 25.678 3.459 ( -2.523 17.475 0.000) 17.656 3.562 ( -11.224 15.526 0.000) 19.158 4.178 ( 4.238 -0.293 0.000) 4.248 4.218 ( 17.301 -3.759 0.000) 17.705 4.671 ( -4.703 -8.719 0.000) 9.907 5.148 ( -7.990 -11.391 0.000) 13.914 6.376 ( 2.553 27.161 0.000) 27.280 6.500 ( 1.210 8.045 0.000) 8.136 6.875 ( 1.905 3.577 0.000) 4.052 6.935 ( 1.258 10.506 0.000) 10.581 7.473 ( -3.368 15.286 0.000) 15.653 7.721 ( -9.067 9.502 0.000) 13.134 7.799 ( 3.492 14.057 0.000) 14.484 8.136 ( -5.499 -0.442 0.000) 5.517 8.897 ( 6.066 10.105 0.000) 11.786 9.499 ( 10.977 8.531 0.000) 13.902 9.532 ( -8.123 14.626 0.000) 16.731 9.755 ( 2.510 -4.220 0.000) 4.910 9.840 ( 0.252 -0.356 0.000) 0.436 9.863 ( -0.250 8.075 0.000) 8.079 10.128 ( 6.440 -8.172 0.000) 10.405 10.443 ( -0.669 -7.181 0.000) 7.212 11.448 ( -0.185 8.731 0.000) 8.733 11.797 ( -9.940 2.367 0.000) 10.218 12.259 ( 5.700 -5.540 0.000) 7.949 12.544 ( -1.610 -2.140 0.000) 2.678 12.921 ( 1.141 10.712 0.000) 10.772 13.174 ( -6.156 -5.786 0.000) 8.448 13.553 ( 1.564 -7.065 0.000) 7.236 13.677 ( -1.709 -7.217 0.000) 7.416 15.345 ( 5.033 -0.619 0.000) 5.071 15.669 ( 3.265 -14.930 0.000) 15.283 15.685 ( -3.617 -10.516 0.000) 11.121 15.855 ( -1.204 -13.083 0.000) 13.139 29.185 ( 2.535 11.203 0.000) 11.486 29.439 ( -4.338 7.334 0.000) 8.521 29.530 ( 0.203 3.304 0.000) 3.310 29.534 ( 0.674 5.316 0.000) 5.358 31.606 ( 1.342 5.804 0.000) 5.957 31.668 ( -0.268 2.184 0.000) 2.200 32.078 ( 0.842 -7.210 0.000) 7.259 32.152 ( -0.972 -6.730 0.000) 6.800 83.572 ( 1.974 -0.840 0.000) 2.145 83.601 ( 3.034 -1.774 0.000) 3.515 83.757 ( -2.560 -1.585 0.000) 3.011 83.806 ( -2.017 -2.753 0.000) 3.413 ======================= Grid point 27 (18/144) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 7.350 22.051 0.000) 23.244 3.291 ( -1.663 24.565 0.000) 24.621 3.376 ( -4.528 20.135 0.000) 20.638 3.399 ( -5.870 20.357 0.000) 21.187 4.299 ( 8.235 -2.970 0.000) 8.754 4.430 ( -1.686 -4.040 0.000) 4.378 4.665 ( 10.951 -10.745 0.000) 15.343 4.936 ( -14.202 -11.746 0.000) 18.430 6.443 ( 4.130 24.298 0.000) 24.647 6.502 ( -1.549 15.831 0.000) 15.907 6.916 ( 2.178 5.951 0.000) 6.337 6.945 ( -0.607 7.696 0.000) 7.720 7.457 ( 2.347 10.615 0.000) 10.872 7.556 ( -7.741 8.370 0.000) 11.401 7.870 ( 4.573 9.427 0.000) 10.477 7.989 ( -8.208 3.482 0.000) 8.916 9.091 ( 13.061 14.342 0.000) 19.398 9.336 ( -12.457 15.146 0.000) 19.611 9.698 ( 9.247 5.780 0.000) 10.905 9.806 ( 2.067 -2.891 0.000) 3.554 9.826 ( -3.746 7.518 0.000) 8.400 9.838 ( -0.679 0.151 0.000) 0.696 10.274 ( 8.163 -7.190 0.000) 10.877 10.398 ( -4.585 -6.779 0.000) 8.184 11.475 ( 3.849 6.760 0.000) 7.779 11.603 ( -9.569 4.356 0.000) 10.514 12.377 ( 6.648 -7.445 0.000) 9.982 12.487 ( -4.643 -5.529 0.000) 7.220 12.959 ( 3.227 7.448 0.000) 8.117 13.049 ( -6.344 0.814 0.000) 6.396 13.590 ( 2.295 -7.115 0.000) 7.476 13.636 ( -2.507 -7.132 0.000) 7.560 15.463 ( 7.118 -3.567 0.000) 7.962 15.591 ( -6.242 -7.163 0.000) 9.501 15.744 ( 4.301 -14.493 0.000) 15.118 15.815 ( -3.092 -13.931 0.000) 14.270 29.252 ( 4.529 10.384 0.000) 11.328 29.346 ( -5.309 8.988 0.000) 10.439 29.535 ( 0.275 3.870 0.000) 3.880 29.539 ( -0.056 4.600 0.000) 4.601 31.635 ( 1.538 4.231 0.000) 4.502 31.658 ( -0.885 2.894 0.000) 3.026 32.100 ( 1.433 -6.999 0.000) 7.144 32.128 ( -1.515 -6.814 0.000) 6.981 83.625 ( 3.550 -0.920 0.000) 3.667 83.672 ( 4.316 -2.451 0.000) 4.963 83.695 ( -3.807 -1.173 0.000) 3.984 83.750 ( -3.792 -2.843 0.000) 4.740 ======================= Grid point 30 (19/144) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 0.000 15.994 0.000) 15.994 3.735 ( 0.000 11.314 0.000) 11.314 3.830 ( 0.000 17.900 0.000) 17.900 3.880 ( 0.000 -6.955 0.000) 6.955 4.025 ( 0.000 13.925 0.000) 13.925 4.178 ( 0.000 4.539 0.000) 4.539 4.522 ( 0.000 -10.475 0.000) 10.475 4.895 ( 0.000 -19.331 0.000) 19.331 6.580 ( 0.000 4.512 0.000) 4.512 6.797 ( 0.000 -5.332 0.000) 5.332 6.810 ( 0.000 16.188 0.000) 16.188 7.048 ( 0.000 1.811 0.000) 1.811 7.859 ( 0.000 13.681 0.000) 13.681 8.005 ( 0.000 6.345 0.000) 6.345 8.005 ( 0.000 7.275 0.000) 7.275 8.160 ( 0.000 -1.124 0.000) 1.124 9.055 ( 0.000 13.645 0.000) 13.645 9.515 ( 0.000 -1.180 0.000) 1.180 9.654 ( 0.000 -0.264 0.000) 0.264 9.868 ( 0.000 2.002 0.000) 2.002 9.868 ( 0.000 6.520 0.000) 6.520 9.888 ( 0.000 -0.331 0.000) 0.331 10.021 ( 0.000 4.612 0.000) 4.612 10.273 ( 0.000 -9.321 0.000) 9.321 11.715 ( 0.000 15.914 0.000) 15.914 11.951 ( 0.000 2.785 0.000) 2.785 12.106 ( 0.000 -4.340 0.000) 4.340 12.407 ( 0.000 -13.182 0.000) 13.182 13.145 ( 0.000 11.103 0.000) 11.103 13.177 ( 0.000 1.831 0.000) 1.831 13.399 ( 0.000 -6.679 0.000) 6.679 13.537 ( 0.000 -8.143 0.000) 8.143 15.279 ( 0.000 -1.196 0.000) 1.196 15.391 ( 0.000 -8.724 0.000) 8.724 15.536 ( 0.000 -5.438 0.000) 5.438 15.636 ( 0.000 -9.340 0.000) 9.340 29.366 ( 0.000 8.448 0.000) 8.448 29.555 ( 0.000 -0.635 0.000) 0.635 29.594 ( 0.000 3.637 0.000) 3.637 29.609 ( 0.000 2.990 0.000) 2.990 31.728 ( 0.000 3.595 0.000) 3.595 31.732 ( 0.000 7.020 0.000) 7.020 31.931 ( 0.000 -6.262 0.000) 6.262 32.021 ( 0.000 -7.017 0.000) 7.017 83.541 ( 0.000 -0.396 0.000) 0.396 83.548 ( 0.000 -0.781 0.000) 0.781 83.760 ( 0.000 -0.442 0.000) 0.442 83.783 ( 0.000 -1.512 0.000) 1.512 ======================= Grid point 31 (20/144) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 5.827 17.017 0.000) 17.986 3.720 ( -0.481 14.204 0.000) 14.212 3.836 ( -3.276 8.009 0.000) 8.653 3.865 ( 1.237 20.174 0.000) 20.212 4.137 ( 10.050 -1.664 0.000) 10.187 4.153 ( -1.164 -0.692 0.000) 1.354 4.478 ( -4.508 -10.109 0.000) 11.069 4.823 ( -7.520 -18.912 0.000) 20.353 6.618 ( 3.785 4.843 0.000) 6.147 6.812 ( -0.138 14.749 0.000) 14.750 6.832 ( 3.701 -4.984 0.000) 6.208 7.042 ( -0.862 1.112 0.000) 1.407 7.807 ( -4.508 14.359 0.000) 15.050 7.898 ( -8.693 7.894 0.000) 11.742 8.008 ( -0.147 5.430 0.000) 5.432 8.118 ( -4.717 -2.002 0.000) 5.125 9.160 ( 10.415 14.703 0.000) 18.019 9.608 ( 8.670 -1.654 0.000) 8.826 9.703 ( 4.704 1.173 0.000) 4.848 9.813 ( -6.600 11.278 0.000) 13.067 9.878 ( 0.812 6.826 0.000) 6.874 9.951 ( 7.180 -8.579 0.000) 11.187 10.003 ( -2.158 3.380 0.000) 4.011 10.276 ( -0.116 -9.065 0.000) 9.066 11.692 ( -1.976 15.038 0.000) 15.167 11.870 ( -7.250 4.756 0.000) 8.670 12.127 ( 1.691 -6.928 0.000) 7.131 12.368 ( -4.025 -13.854 0.000) 14.427 13.143 ( -0.218 10.659 0.000) 10.661 13.162 ( -1.272 3.601 0.000) 3.820 13.412 ( 1.340 -6.866 0.000) 6.995 13.523 ( -1.467 -7.963 0.000) 8.097 15.312 ( 3.303 -1.632 0.000) 3.684 15.426 ( 3.472 -8.751 0.000) 9.414 15.519 ( -1.804 -5.013 0.000) 5.327 15.623 ( -1.485 -9.276 0.000) 9.394 29.384 ( 1.917 8.154 0.000) 8.376 29.561 ( 0.701 -0.381 0.000) 0.797 29.562 ( -2.762 4.603 0.000) 5.368 29.612 ( -0.246 2.228 0.000) 2.242 31.730 ( 0.229 3.818 0.000) 3.825 31.734 ( 0.161 6.574 0.000) 6.576 31.940 ( 0.887 -6.306 0.000) 6.368 32.013 ( -0.898 -6.918 0.000) 6.976 83.560 ( 2.045 -0.296 0.000) 2.066 83.573 ( 2.527 -0.994 0.000) 2.716 83.738 ( -2.273 -0.361 0.000) 2.301 83.763 ( -2.161 -1.554 0.000) 2.662 ======================= Grid point 32 (21/144) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 9.762 19.550 0.000) 21.852 3.731 ( 1.619 16.877 0.000) 16.954 3.777 ( -2.935 15.948 0.000) 16.216 3.795 ( -8.307 22.327 0.000) 23.822 4.204 ( 6.321 -6.641 0.000) 9.168 4.315 ( 0.396 -7.391 0.000) 7.402 4.411 ( 5.650 -13.488 0.000) 14.623 4.632 ( -12.374 -17.387 0.000) 21.340 6.707 ( 5.198 6.558 0.000) 8.368 6.787 ( -2.902 10.585 0.000) 10.975 6.922 ( 5.296 -3.555 0.000) 6.379 7.006 ( -3.296 -0.892 0.000) 3.414 7.735 ( -2.108 13.920 0.000) 14.078 7.759 ( -4.938 10.836 0.000) 11.909 8.001 ( -0.068 2.323 0.000) 2.324 8.029 ( -3.506 -0.515 0.000) 3.544 9.395 ( 13.655 14.637 0.000) 20.017 9.635 ( -11.441 13.235 0.000) 17.495 9.781 ( 8.657 -1.887 0.000) 8.860 9.809 ( 4.945 2.874 0.000) 5.720 9.880 ( -1.088 7.024 0.000) 7.108 9.927 ( -5.590 1.836 0.000) 5.884 10.113 ( 8.775 -8.203 0.000) 12.012 10.241 ( -4.303 -8.469 0.000) 9.499 11.671 ( 0.582 12.367 0.000) 12.381 11.734 ( -6.116 8.459 0.000) 10.438 12.175 ( 3.871 -11.313 0.000) 11.957 12.270 ( -5.867 -13.970 0.000) 15.152 13.139 ( -0.130 9.295 0.000) 9.296 13.143 ( -0.634 6.855 0.000) 6.884 13.445 ( 2.119 -7.189 0.000) 7.495 13.487 ( -2.245 -7.569 0.000) 7.895 15.389 ( 4.563 -2.682 0.000) 5.293 15.468 ( -3.651 -3.946 0.000) 5.376 15.504 ( 4.481 -8.889 0.000) 9.955 15.579 ( -3.283 -9.103 0.000) 9.677 29.434 ( 3.297 7.297 0.000) 8.008 29.500 ( -3.649 6.010 0.000) 7.031 29.579 ( 1.116 0.309 0.000) 1.158 29.600 ( -1.004 1.247 0.000) 1.601 31.735 ( 0.190 4.495 0.000) 4.499 31.736 ( 0.050 5.538 0.000) 5.538 31.962 ( 1.445 -6.450 0.000) 6.610 31.990 ( -1.451 -6.685 0.000) 6.840 83.613 ( 3.485 -0.213 0.000) 3.491 83.635 ( 3.841 -1.332 0.000) 4.065 83.681 ( -3.584 -0.240 0.000) 3.592 83.707 ( -3.657 -1.541 0.000) 3.968 ======================= Grid point 35 (22/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 0.000 -11.652 0.000) 11.652 3.690 ( 0.000 11.652 0.000) 11.652 3.916 ( 0.000 -5.542 0.000) 5.542 3.916 ( 0.000 5.542 0.000) 5.542 4.292 ( 0.000 -12.140 0.000) 12.140 4.292 ( 0.000 12.140 0.000) 12.140 4.476 ( 0.000 -20.757 0.000) 20.757 4.476 ( 0.000 20.757 0.000) 20.757 6.682 ( 0.000 -5.481 0.000) 5.481 6.682 ( 0.000 5.481 0.000) 5.481 7.018 ( 0.000 -5.059 0.000) 5.059 7.018 ( 0.000 5.059 0.000) 5.059 8.040 ( 0.000 -3.744 0.000) 3.744 8.040 ( 0.000 3.744 0.000) 3.744 8.108 ( 0.000 -3.931 0.000) 3.931 8.108 ( 0.000 3.931 0.000) 3.931 9.345 ( 0.000 -13.012 0.000) 13.012 9.345 ( 0.000 13.012 0.000) 13.012 9.718 ( 0.000 -6.065 0.000) 6.065 9.718 ( 0.000 6.065 0.000) 6.065 10.029 ( 0.000 -3.783 0.000) 3.783 10.029 ( 0.000 3.783 0.000) 3.783 10.066 ( 0.000 -10.747 0.000) 10.747 10.066 ( 0.000 10.747 0.000) 10.747 12.021 ( 0.000 -3.929 0.000) 3.929 12.021 ( 0.000 3.929 0.000) 3.929 12.074 ( 0.000 -18.144 0.000) 18.144 12.074 ( 0.000 18.144 0.000) 18.144 13.267 ( 0.000 -5.999 0.000) 5.999 13.267 ( 0.000 5.999 0.000) 5.999 13.357 ( 0.000 -9.596 0.000) 9.596 13.357 ( 0.000 9.596 0.000) 9.596 15.282 ( 0.000 -2.205 0.000) 2.205 15.282 ( 0.000 2.205 0.000) 2.205 15.508 ( 0.000 -2.719 0.000) 2.719 15.508 ( 0.000 2.719 0.000) 2.719 29.500 ( 0.000 -4.666 0.000) 4.666 29.500 ( 0.000 4.666 0.000) 4.666 29.636 ( 0.000 -0.407 0.000) 0.407 29.636 ( 0.000 0.407 0.000) 0.407 31.816 ( 0.000 -5.005 0.000) 5.005 31.816 ( 0.000 5.005 0.000) 5.005 31.877 ( 0.000 -7.128 0.000) 7.128 31.877 ( 0.000 7.128 0.000) 7.128 83.538 ( 0.000 -0.164 0.000) 0.164 83.538 ( 0.000 0.164 0.000) 0.164 83.762 ( 0.000 -0.593 0.000) 0.593 83.762 ( 0.000 0.593 0.000) 0.593 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 7.446 -11.670 0.000) 13.844 3.763 ( 7.446 11.670 0.000) 13.844 3.948 ( 3.255 -7.888 0.000) 8.534 3.948 ( 3.255 7.888 0.000) 8.534 4.263 ( -3.036 -10.601 0.000) 11.027 4.263 ( -3.036 10.601 0.000) 11.027 4.407 ( -7.039 -21.000 0.000) 22.148 4.407 ( -7.039 21.000 0.000) 22.148 6.721 ( 4.087 -5.437 0.000) 6.802 6.721 ( 4.087 5.437 0.000) 6.802 7.003 ( -1.830 -5.038 0.000) 5.360 7.003 ( -1.830 5.038 0.000) 5.360 8.010 ( -2.929 -5.129 0.000) 5.906 8.010 ( -2.929 5.129 0.000) 5.906 8.039 ( -5.868 -5.645 0.000) 8.142 8.039 ( -5.868 5.645 0.000) 8.142 9.447 ( 9.658 -12.239 0.000) 15.591 9.447 ( 9.658 12.239 0.000) 15.591 9.785 ( 6.469 -6.532 0.000) 9.193 9.785 ( 6.469 6.532 0.000) 9.193 9.988 ( -4.217 -4.841 0.000) 6.420 9.988 ( -4.217 4.841 0.000) 6.420 10.075 ( 0.517 -10.472 0.000) 10.485 10.075 ( 0.517 10.472 0.000) 10.485 11.987 ( -3.071 -6.525 0.000) 7.211 11.987 ( -3.071 6.525 0.000) 7.211 12.035 ( -3.712 -17.614 0.000) 18.001 12.035 ( -3.712 17.614 0.000) 18.001 13.274 ( 0.732 -6.544 0.000) 6.584 13.274 ( 0.732 6.544 0.000) 6.584 13.348 ( -0.991 -9.308 0.000) 9.361 13.348 ( -0.991 9.308 0.000) 9.361 15.313 ( 3.149 -2.410 0.000) 3.965 15.313 ( 3.149 2.410 0.000) 3.965 15.496 ( -1.386 -2.753 0.000) 3.082 15.496 ( -1.386 2.753 0.000) 3.082 29.513 ( 1.283 -4.380 0.000) 4.564 29.513 ( 1.283 4.380 0.000) 4.564 29.622 ( -1.405 -1.251 0.000) 1.882 29.622 ( -1.405 1.251 0.000) 1.882 31.822 ( 0.659 -5.163 0.000) 5.205 31.822 ( 0.659 5.163 0.000) 5.205 31.872 ( -0.544 -6.880 0.000) 6.901 31.872 ( -0.544 6.880 0.000) 6.901 83.560 ( 2.233 -0.315 0.000) 2.256 83.560 ( 2.233 0.315 0.000) 2.256 83.741 ( -2.196 -0.616 0.000) 2.280 83.741 ( -2.196 0.616 0.000) 2.280 ======================= Grid point 39 (24/144) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 10.079 -7.482 0.000) 12.553 3.939 ( 10.079 7.482 0.000) 12.553 4.017 ( 2.746 -11.300 0.000) 11.629 4.017 ( 2.746 11.300 0.000) 11.629 4.194 ( -3.349 -3.448 0.000) 4.807 4.194 ( -3.349 3.448 0.000) 4.807 4.242 ( -9.084 -20.509 0.000) 22.430 4.242 ( -9.084 20.509 0.000) 22.430 6.824 ( 6.467 -5.388 0.000) 8.417 6.824 ( 6.467 5.388 0.000) 8.417 6.939 ( -5.171 -5.220 0.000) 7.348 6.939 ( -5.171 5.220 0.000) 7.348 7.951 ( -2.504 -7.054 0.000) 7.485 7.951 ( -2.504 7.054 0.000) 7.485 7.954 ( -2.306 -6.816 0.000) 7.195 7.954 ( -2.306 6.816 0.000) 7.195 9.652 ( 11.295 -9.893 0.000) 15.015 9.652 ( 11.295 9.893 0.000) 15.015 9.834 ( -6.803 -4.819 0.000) 8.337 9.834 ( -6.803 4.819 0.000) 8.337 9.961 ( 5.887 -5.418 0.000) 8.001 9.961 ( 5.887 5.418 0.000) 8.001 10.058 ( -3.044 -9.243 0.000) 9.731 10.058 ( -3.044 9.243 0.000) 9.731 11.940 ( -1.101 -11.277 0.000) 11.331 11.940 ( -1.101 11.277 0.000) 11.331 11.962 ( -3.273 -15.453 0.000) 15.796 11.962 ( -3.273 15.453 0.000) 15.796 13.294 ( 1.413 -7.594 0.000) 7.724 13.294 ( 1.413 7.594 0.000) 7.724 13.323 ( -1.563 -8.574 0.000) 8.715 13.323 ( -1.563 8.574 0.000) 8.715 15.385 ( 4.138 -2.706 0.000) 4.944 15.385 ( 4.138 2.706 0.000) 4.944 15.454 ( -3.069 -2.798 0.000) 4.153 15.454 ( -3.069 2.798 0.000) 4.153 29.546 ( 2.135 -3.582 0.000) 4.170 29.546 ( 2.135 3.582 0.000) 4.170 29.587 ( -2.210 -2.453 0.000) 3.302 29.587 ( -2.210 2.453 0.000) 3.302 31.839 ( 1.011 -5.622 0.000) 5.712 31.839 ( 1.011 5.622 0.000) 5.712 31.857 ( -0.941 -6.277 0.000) 6.347 31.857 ( -0.941 6.277 0.000) 6.347 83.616 ( 3.595 -0.512 0.000) 3.631 83.616 ( 3.595 0.512 0.000) 3.631 83.685 ( -3.571 -0.617 0.000) 3.624 83.685 ( -3.571 0.617 0.000) 3.624 ======================= Grid point 75 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.000 0.000 30.054) 30.054 0.628 ( 0.000 0.000 29.950) 29.950 1.173 ( 0.000 0.000 56.316) 56.316 2.336 ( 0.000 0.000 7.404) 7.404 2.669 ( 0.000 0.000 4.872) 4.872 3.121 ( 0.000 0.000 -1.748) 1.748 3.841 ( 0.000 0.000 -1.737) 1.737 3.924 ( 0.000 0.000 -10.790) 10.790 4.786 ( 0.000 0.000 1.287) 1.287 4.973 ( 0.000 0.000 18.837) 18.837 5.233 ( 0.000 0.000 -1.662) 1.662 6.357 ( 0.000 0.000 1.495) 1.495 7.179 ( 0.000 0.000 8.054) 8.054 7.511 ( 0.000 0.000 0.310) 0.310 7.669 ( 0.000 0.000 -0.455) 0.455 8.331 ( 0.000 0.000 0.200) 0.200 8.446 ( 0.000 0.000 -0.523) 0.523 8.534 ( 0.000 0.000 1.301) 1.301 8.804 ( 0.000 0.000 -6.272) 6.272 9.011 ( 0.000 0.000 -3.960) 3.960 9.839 ( 0.000 0.000 3.672) 3.672 10.411 ( 0.000 0.000 -3.906) 3.906 10.514 ( 0.000 0.000 -5.319) 5.319 11.552 ( 0.000 0.000 0.498) 0.498 11.621 ( 0.000 0.000 0.555) 0.555 11.665 ( 0.000 0.000 -0.002) 0.002 11.770 ( 0.000 0.000 -0.117) 0.117 11.941 ( 0.000 0.000 -4.304) 4.304 12.136 ( 0.000 0.000 4.974) 4.974 12.884 ( 0.000 0.000 0.673) 0.673 13.331 ( 0.000 0.000 -31.421) 31.421 14.321 ( 0.000 0.000 -0.422) 0.422 14.872 ( 0.000 0.000 37.734) 37.734 16.828 ( 0.000 0.000 -6.456) 6.456 17.181 ( 0.000 0.000 -0.163) 0.163 17.614 ( 0.000 0.000 -1.601) 1.601 28.137 ( 0.000 0.000 2.735) 2.735 28.220 ( 0.000 0.000 1.823) 1.823 28.856 ( 0.000 0.000 -0.768) 0.768 28.982 ( 0.000 0.000 -1.701) 1.701 31.258 ( 0.000 0.000 2.297) 2.297 31.767 ( 0.000 0.000 -0.825) 0.825 32.578 ( 0.000 0.000 -0.292) 0.292 32.680 ( 0.000 0.000 -1.779) 1.779 83.642 ( 0.000 0.000 -3.471) 3.471 83.737 ( 0.000 0.000 7.719) 7.719 84.505 ( 0.000 0.000 24.638) 24.638 88.254 ( 0.000 0.000 -5.192) 5.192 ======================= Grid point 76 (26/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 20.132 0.000 19.711) 28.175 0.897 ( 25.145 0.000 19.859) 32.042 1.511 ( 30.231 0.000 40.852) 50.822 2.195 ( -11.591 0.000 8.586) 14.424 2.411 ( -21.815 0.000 4.837) 22.345 3.299 ( 13.332 0.000 -1.123) 13.379 3.807 ( -3.684 0.000 -1.681) 4.050 3.882 ( -18.112 0.000 -6.236) 19.156 4.388 ( -7.855 0.000 7.854) 11.107 5.054 ( -6.629 0.000 -0.430) 6.643 5.567 ( 26.133 0.000 5.349) 26.675 6.332 ( -2.911 0.000 1.667) 3.355 7.220 ( 5.031 0.000 8.410) 9.800 7.524 ( 1.355 0.000 0.258) 1.380 7.651 ( -1.817 0.000 -0.350) 1.850 7.928 ( -24.194 0.000 17.677) 29.964 8.345 ( 1.395 0.000 0.098) 1.398 8.437 ( -0.933 0.000 -0.475) 1.047 8.856 ( 5.741 0.000 -6.799) 8.899 9.266 ( -1.141 0.000 -6.832) 6.927 10.275 ( 11.494 0.000 -22.232) 25.027 10.390 ( -1.023 0.000 -7.780) 7.847 10.899 ( 34.159 0.000 -16.078) 37.753 11.556 ( 0.431 0.000 0.500) 0.660 11.607 ( -1.154 0.000 0.501) 1.259 11.683 ( 1.505 0.000 0.035) 1.505 11.762 ( -0.778 0.000 -0.101) 0.785 11.841 ( -9.969 0.000 -1.034) 10.023 12.360 ( 20.552 0.000 -19.105) 28.060 12.971 ( 4.755 0.000 -11.189) 12.157 13.376 ( 7.753 0.000 -23.118) 24.383 14.204 ( -10.863 0.000 -0.338) 10.869 14.981 ( 10.482 0.000 38.733) 40.126 16.297 ( -42.896 0.000 43.945) 61.411 17.162 ( 1.856 0.000 -4.162) 4.557 17.463 ( -7.152 0.000 -2.939) 7.732 28.144 ( 0.716 0.000 2.664) 2.759 28.210 ( -0.944 0.000 1.931) 2.150 28.869 ( 1.368 0.000 -0.879) 1.626 28.971 ( -1.139 0.000 -1.628) 1.987 31.617 ( 19.944 0.000 -18.460) 27.176 31.783 ( 1.584 0.000 -1.728) 2.344 32.580 ( 0.629 0.000 -0.649) 0.904 32.672 ( -0.904 0.000 -1.874) 2.081 83.608 ( -0.672 0.000 -0.623) 0.917 83.758 ( -0.448 0.000 -1.819) 1.873 84.659 ( 15.116 0.000 27.608) 31.475 86.771 ( -90.424 0.000 75.801) 117.993 ======================= Grid point 77 (27/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 23.492 0.000 11.658) 26.226 1.418 ( 29.119 0.000 11.257) 31.220 1.686 ( -17.484 0.000 9.706) 19.997 1.948 ( -27.177 0.000 6.926) 28.046 2.416 ( 39.750 0.000 23.543) 46.199 3.223 ( -43.247 0.000 13.320) 45.252 3.531 ( 11.054 0.000 -1.262) 11.126 3.704 ( -7.412 0.000 -1.515) 7.565 4.555 ( 15.990 0.000 -2.940) 16.258 4.850 ( -14.314 0.000 -2.886) 14.602 5.983 ( 17.778 0.000 3.967) 18.215 6.228 ( -8.872 0.000 2.430) 9.199 7.366 ( 10.324 0.000 9.221) 13.843 7.560 ( 2.363 0.000 0.107) 2.366 7.595 ( -14.243 0.000 11.349) 18.212 7.608 ( -2.637 0.000 -0.119) 2.640 8.377 ( 1.954 0.000 -0.123) 1.958 8.412 ( -1.680 0.000 -0.336) 1.713 8.996 ( 8.720 0.000 -6.155) 10.673 9.160 ( -8.248 0.000 -5.248) 9.776 10.361 ( 1.630 0.000 -14.899) 14.988 10.377 ( -0.512 0.000 -11.281) 11.293 11.347 ( 16.615 0.000 -4.125) 17.119 11.568 ( 0.808 0.000 0.500) 0.950 11.586 ( -1.089 0.000 0.496) 1.196 11.617 ( -13.331 0.000 1.383) 13.402 11.713 ( 1.654 0.000 -0.002) 1.654 11.742 ( -1.371 0.000 -0.059) 1.373 12.712 ( 15.313 0.000 -33.118) 36.487 12.930 ( -8.067 0.000 -29.440) 30.525 13.649 ( 17.982 0.000 -10.179) 20.663 13.961 ( -14.978 0.000 -4.120) 15.534 15.237 ( 17.100 0.000 45.056) 48.192 15.639 ( -27.160 0.000 53.375) 59.888 17.236 ( 5.425 0.000 -6.511) 8.475 17.346 ( -6.073 0.000 -6.160) 8.650 28.162 ( 1.248 0.000 2.465) 2.763 28.188 ( -1.385 0.000 2.188) 2.590 28.903 ( 2.070 0.000 -1.141) 2.364 28.941 ( -1.932 0.000 -1.424) 2.400 31.812 ( 3.212 0.000 -10.612) 11.087 31.817 ( 1.647 0.000 -5.674) 5.908 32.607 ( 2.047 0.000 -1.838) 2.751 32.646 ( -1.865 0.000 -2.066) 2.784 83.637 ( 3.326 0.000 -3.425) 4.775 83.711 ( -3.951 0.000 -4.636) 6.091 85.025 ( 24.016 0.000 38.173) 45.100 85.604 ( -41.299 0.000 59.633) 72.537 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.00 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 25.823 18.529) 31.782 1.004 ( 0.000 20.476 28.216) 34.863 1.761 ( 0.000 53.323 30.904) 61.631 2.405 ( 0.000 6.943 5.961) 9.151 2.858 ( 0.000 15.457 6.732) 16.860 3.317 ( 0.000 16.114 -2.611) 16.325 3.923 ( 0.000 5.976 -5.150) 7.889 4.173 ( 0.000 25.653 -5.094) 26.153 4.885 ( 0.000 10.236 0.388) 10.243 5.031 ( 0.000 6.361 16.677) 17.849 5.200 ( 0.000 -3.042 -1.298) 3.308 6.335 ( 0.000 -2.064 1.797) 2.736 7.189 ( 0.000 1.195 7.186) 7.285 7.625 ( 0.000 -3.350 2.832) 4.387 7.636 ( 0.000 -3.043 -0.051) 3.044 8.409 ( 0.000 13.875 -7.348) 15.701 8.460 ( 0.000 -0.033 -0.878) 0.879 8.564 ( 0.000 3.961 1.038) 4.095 8.839 ( 0.000 3.385 -4.699) 5.791 9.273 ( 0.000 9.254 -11.667) 14.891 9.828 ( 0.000 -0.930 4.290) 4.390 10.385 ( 0.000 -2.134 -4.846) 5.295 10.435 ( 0.000 -2.707 -8.605) 9.021 11.347 ( 0.000 -23.051 -1.440) 23.096 11.528 ( 0.000 -7.140 17.225) 18.646 11.632 ( 0.000 7.548 0.510) 7.565 11.721 ( 0.000 9.218 0.004) 9.218 11.959 ( 0.000 0.073 -0.646) 0.650 12.855 ( 0.000 -2.798 0.868) 2.930 12.868 ( 0.000 34.861 -38.903) 52.237 13.586 ( 0.000 15.432 -34.127) 37.454 14.245 ( 0.000 -7.261 -0.753) 7.300 14.920 ( 0.000 4.772 36.339) 36.651 16.757 ( 0.000 -6.883 -6.318) 9.343 17.080 ( 0.000 -9.615 0.290) 9.620 17.155 ( 0.000 -27.146 20.272) 33.880 28.207 ( 0.000 6.655 2.572) 7.135 28.611 ( 0.000 20.811 -16.377) 26.482 28.901 ( 0.000 4.312 -0.687) 4.366 29.029 ( 0.000 4.514 -1.555) 4.774 31.271 ( 0.000 1.302 2.190) 2.548 31.748 ( 0.000 -1.803 -0.660) 1.920 32.557 ( 0.000 -2.012 -0.307) 2.036 32.639 ( 0.000 -3.870 -1.605) 4.190 83.636 ( 0.000 -0.486 -3.204) 3.240 83.683 ( 0.000 -4.389 7.084) 8.333 84.454 ( 0.000 -4.837 23.396) 23.891 86.172 ( 0.000 -101.160 96.275) 139.651 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.20 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 11.883 19.188 15.554) 27.410 1.186 ( 17.817 18.642 23.103) 34.623 2.000 ( 15.801 40.244 21.504) 48.287 2.280 ( -4.881 12.573 9.945) 16.757 2.593 ( -22.060 14.626 7.530) 27.518 3.502 ( 13.591 16.925 -2.030) 21.801 3.957 ( -2.320 10.757 -5.205) 12.173 4.100 ( -12.520 23.441 -2.813) 26.723 4.462 ( -12.445 9.594 9.662) 18.447 5.055 ( -7.623 0.342 -0.335) 7.638 5.567 ( 25.653 0.999 4.879) 26.131 6.311 ( -2.893 -2.039 1.890) 4.012 7.220 ( 3.610 0.709 7.870) 8.687 7.591 ( -3.398 -3.786 4.123) 6.548 7.634 ( -0.232 -1.960 0.155) 1.980 7.982 ( -24.687 10.354 5.242) 27.279 8.473 ( 0.245 4.224 -1.383) 4.452 8.516 ( -1.542 11.777 0.137) 11.878 8.894 ( 5.565 3.815 -4.963) 8.375 9.304 ( -3.340 2.736 -4.657) 6.350 10.263 ( 17.412 -3.972 -19.150) 26.185 10.384 ( 0.030 0.074 -10.173) 10.173 10.577 ( 21.923 -18.952 -2.255) 29.066 11.340 ( -1.330 -24.436 -2.412) 24.591 11.529 ( 0.441 -6.923 15.823) 17.276 11.639 ( 0.596 7.442 0.880) 7.518 11.708 ( -1.287 8.463 -0.108) 8.561 11.868 ( -8.305 0.757 1.859) 8.544 12.925 ( 6.950 21.228 -26.904) 34.968 13.009 ( 11.825 7.685 -15.290) 20.801 13.580 ( 0.393 13.663 -31.713) 34.533 14.135 ( -10.437 -6.687 -0.977) 12.434 15.031 ( 10.911 4.894 36.815) 38.709 16.309 ( -35.236 0.220 31.324) 47.147 17.048 ( 2.290 -10.755 -4.075) 11.727 17.252 ( 1.100 -16.399 -0.015) 16.436 28.219 ( 1.307 7.103 2.450) 7.627 28.472 ( -9.756 18.151 -5.381) 21.297 28.919 ( 1.500 4.712 -1.033) 5.052 29.017 ( -1.181 4.378 -1.409) 4.748 31.520 ( 17.299 -6.286 -8.253) 20.171 31.759 ( 1.030 -2.231 -1.393) 2.824 32.558 ( 0.317 -2.136 -0.490) 2.214 32.631 ( -0.855 -3.825 -1.628) 4.245 83.601 ( -0.483 -0.695 -0.376) 0.926 83.724 ( 0.701 -2.866 -2.127) 3.637 84.574 ( 12.051 -7.726 26.593) 30.201 85.789 ( -31.088 -62.143 82.053) 107.522 ======================= Grid point 82 (30/144) ======================= q-point: ( 0.40 0.07 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 20.040 10.628 8.328) 24.165 1.573 ( 16.789 11.811 13.353) 24.488 1.839 ( -12.506 12.888 8.548) 19.889 2.135 ( -25.557 14.697 11.450) 31.627 2.729 ( 36.884 31.016 18.056) 51.463 3.436 ( -35.813 20.815 9.586) 42.517 3.777 ( 9.551 21.971 -1.613) 24.011 3.947 ( -7.214 21.172 -2.186) 22.474 4.568 ( 14.368 2.942 -0.441) 14.673 4.846 ( -14.035 0.471 -1.578) 14.132 5.970 ( 17.212 -0.755 3.416) 17.564 6.208 ( -8.660 -1.744 2.388) 9.151 7.329 ( 7.884 -1.746 8.658) 11.839 7.489 ( -7.983 -5.228 8.117) 12.527 7.636 ( 0.815 1.479 0.595) 1.791 7.695 ( -7.232 7.269 2.288) 10.506 8.479 ( 0.529 6.343 -0.571) 6.391 8.493 ( -0.972 8.886 -0.052) 8.939 9.028 ( 8.349 3.412 -4.774) 10.204 9.187 ( -8.135 2.702 -3.929) 9.430 10.371 ( 1.564 0.131 -12.987) 13.082 10.385 ( -0.154 1.120 -13.375) 13.423 11.019 ( 18.844 -27.486 -6.504) 33.955 11.263 ( -7.874 -26.645 -3.806) 28.043 11.560 ( 3.146 -5.490 10.906) 12.609 11.635 ( -2.894 1.711 3.247) 4.674 11.683 ( -0.188 7.631 0.988) 7.697 11.724 ( -5.037 6.119 4.085) 8.916 13.069 ( 7.390 19.752 -29.783) 36.494 13.150 ( 0.653 12.699 -24.259) 27.389 13.669 ( 10.182 2.358 -17.661) 20.522 13.905 ( -13.418 -5.196 -5.497) 15.403 15.302 ( 18.148 6.022 40.176) 44.494 15.716 ( -26.849 6.422 42.834) 50.959 17.122 ( 4.969 -10.722 -5.976) 13.243 17.213 ( -4.216 -12.123 -4.933) 13.750 28.257 ( 2.853 8.686 1.986) 9.356 28.331 ( -5.391 12.222 0.526) 13.369 28.952 ( 1.957 4.659 -1.130) 5.178 28.988 ( -1.825 4.447 -1.295) 4.979 31.734 ( 5.664 -6.343 -7.882) 11.595 31.774 ( 0.164 -3.700 -3.788) 5.298 32.576 ( 1.544 -2.873 -1.238) 3.489 32.608 ( -1.639 -3.544 -1.638) 4.235 83.629 ( 3.078 -0.701 -3.308) 4.573 83.694 ( -3.265 -1.462 -4.575) 5.808 84.863 ( 18.287 -14.219 36.079) 42.875 85.257 ( -24.600 -27.724 54.921) 66.258 ======================= Grid point 85 (31/144) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 24.875 19.221) 31.436 1.538 ( 0.000 30.741 9.367) 32.136 2.578 ( 0.000 12.619 3.345) 13.054 2.994 ( 0.000 59.205 14.867) 61.043 3.189 ( 0.000 15.773 10.325) 18.852 3.596 ( 0.000 8.739 -8.386) 12.112 4.129 ( 0.000 12.729 7.355) 14.701 4.841 ( 0.000 34.662 -7.627) 35.491 5.128 ( 0.000 -1.097 -0.763) 1.336 5.224 ( 0.000 22.782 -2.016) 22.871 5.303 ( 0.000 22.009 10.764) 24.500 6.270 ( 0.000 -4.288 3.295) 5.408 7.235 ( 0.000 3.340 4.455) 5.568 7.477 ( 0.000 -7.396 8.394) 11.188 7.554 ( 0.000 -4.820 0.546) 4.851 8.423 ( 0.000 -3.336 -0.173) 3.341 8.695 ( 0.000 8.057 -0.833) 8.100 8.742 ( 0.000 15.361 -10.778) 18.765 8.940 ( 0.000 6.457 -1.455) 6.619 9.298 ( 0.000 -3.126 0.487) 3.164 9.811 ( 0.000 -0.424 4.347) 4.368 10.336 ( 0.000 -2.575 -5.739) 6.291 10.439 ( 0.000 1.325 -14.362) 14.423 10.848 ( 0.000 -23.689 -0.537) 23.695 11.454 ( 0.000 -1.774 16.581) 16.676 11.841 ( 0.000 12.295 0.681) 12.314 11.947 ( 0.000 -0.894 0.863) 1.243 11.964 ( 0.000 13.648 -0.927) 13.679 12.777 ( 0.000 -4.587 1.247) 4.753 13.372 ( 0.000 16.007 -35.876) 39.285 13.758 ( 0.000 1.886 -24.972) 25.043 14.039 ( 0.000 -12.553 -1.595) 12.654 15.062 ( 0.000 8.677 29.853) 31.088 16.555 ( 0.000 -12.553 -5.936) 13.885 16.724 ( 0.000 -16.521 13.664) 21.440 16.809 ( 0.000 -16.288 1.357) 16.344 28.394 ( 0.000 11.231 2.176) 11.440 28.918 ( 0.000 11.280 -10.287) 15.267 29.024 ( 0.000 7.523 -0.439) 7.535 29.154 ( 0.000 7.319 -0.785) 7.361 31.311 ( 0.000 2.675 1.890) 3.275 31.703 ( 0.000 -2.348 -0.379) 2.378 32.498 ( 0.000 -3.771 -0.337) 3.786 32.530 ( 0.000 -6.574 -1.230) 6.688 83.598 ( 0.000 -3.341 3.653) 4.951 83.623 ( 0.000 -0.853 -2.508) 2.649 84.323 ( 0.000 -7.502 20.089) 21.444 84.894 ( 0.000 -36.572 60.370) 70.583 ======================= Grid point 86 (32/144) ======================= q-point: ( 0.20 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.106 25.292 12.286) 28.773 1.641 ( 11.399 25.833 13.507) 31.300 2.419 ( -15.258 13.391 2.665) 20.475 2.894 ( -23.021 13.452 10.619) 28.700 3.165 ( 16.831 56.702 14.426) 60.881 3.805 ( 14.803 9.823 -7.738) 19.378 4.239 ( 9.233 14.584 5.699) 18.178 4.697 ( -22.254 33.065 0.027) 39.856 4.845 ( -7.693 21.338 -2.463) 22.816 5.118 ( -6.739 11.806 4.634) 14.362 5.671 ( 20.197 11.230 1.346) 23.149 6.253 ( -2.080 -3.284 2.800) 4.790 7.255 ( 2.239 2.739 5.140) 6.240 7.453 ( -2.309 -6.835 8.013) 10.782 7.579 ( 2.579 -2.983 0.938) 4.053 8.174 ( -22.383 5.901 0.211) 23.149 8.547 ( 0.182 3.538 -2.293) 4.220 8.783 ( -4.148 12.543 -1.014) 13.250 9.019 ( 6.829 8.642 -2.658) 11.330 9.349 ( -0.271 1.656 -1.563) 2.293 10.044 ( 20.232 -12.344 -1.728) 23.764 10.368 ( 3.700 -2.415 -6.382) 7.762 10.434 ( -0.553 0.450 -13.371) 13.390 10.829 ( -2.438 -23.519 -0.568) 23.652 11.455 ( 0.568 -1.859 15.045) 15.171 11.797 ( -7.010 3.632 2.084) 8.166 11.890 ( -1.097 9.518 -0.060) 9.581 11.968 ( -0.985 12.122 0.797) 12.188 12.909 ( 12.752 -5.131 -0.265) 13.748 13.396 ( 1.834 13.704 -32.927) 35.712 13.743 ( -1.464 2.092 -25.258) 25.387 13.944 ( -8.977 -11.531 -2.692) 14.859 15.172 ( 11.173 8.350 29.009) 32.188 16.273 ( -22.502 -4.091 14.651) 27.161 16.756 ( 3.101 -16.865 -3.537) 17.509 16.895 ( 3.314 -18.195 0.960) 18.519 28.416 ( 2.342 11.633 1.982) 12.030 28.794 ( -10.249 13.277 -5.427) 17.629 29.051 ( 1.693 7.842 -1.199) 8.112 29.140 ( -1.246 7.327 -0.727) 7.468 31.437 ( 10.671 -1.681 -1.148) 10.863 31.704 ( -0.016 -2.786 -0.818) 2.904 32.495 ( -0.142 -3.937 -0.403) 3.960 32.525 ( -0.544 -6.358 -1.170) 6.488 83.581 ( 0.299 -1.113 -0.204) 1.171 83.664 ( 1.636 -2.640 -2.801) 4.182 84.381 ( 6.071 -10.317 23.269) 26.168 84.840 ( -5.553 -32.242 53.849) 63.009 ======================= Grid point 87 (33/144) ======================= q-point: ( 0.40 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 13.354 21.308 4.730) 25.588 1.890 ( 6.418 18.960 7.826) 21.492 2.141 ( -4.745 16.637 9.999) 19.982 2.442 ( -24.020 14.825 14.765) 31.855 3.574 ( 25.210 47.457 10.363) 54.727 3.970 ( -6.897 23.967 -1.199) 24.968 4.300 ( -7.048 27.828 -0.690) 28.715 4.350 ( -2.018 13.939 -0.157) 14.085 4.808 ( 3.828 20.221 1.338) 20.623 4.957 ( -9.809 15.349 4.776) 18.832 5.989 ( 13.583 4.100 0.939) 14.219 6.176 ( -6.701 -0.498 1.752) 6.944 7.316 ( 4.044 0.285 6.461) 7.628 7.394 ( -3.971 -3.805 7.523) 9.319 7.656 ( 6.113 0.808 1.199) 6.282 7.831 ( -13.479 5.440 1.247) 14.589 8.596 ( 4.146 4.707 -0.545) 6.296 8.687 ( -5.395 8.575 0.200) 10.133 9.150 ( 7.166 8.721 -2.575) 11.577 9.278 ( -6.109 6.356 -2.074) 9.057 10.324 ( 7.362 -7.814 -10.452) 14.983 10.403 ( -2.308 -0.768 -13.825) 14.037 10.529 ( 12.805 -15.155 -1.084) 19.870 10.736 ( -8.012 -22.225 -0.578) 23.632 11.497 ( 4.509 -1.805 10.914) 11.946 11.628 ( -9.112 -0.977 5.851) 10.873 11.904 ( 1.599 13.040 0.625) 13.153 11.938 ( -1.934 13.167 0.975) 13.344 13.183 ( 14.822 -3.580 -5.222) 16.118 13.386 ( -5.108 5.718 -20.233) 21.637 13.718 ( -0.319 0.924 -23.633) 23.653 13.774 ( -7.048 -6.496 -12.067) 15.411 15.452 ( 18.297 7.537 27.500) 33.880 15.838 ( -22.791 4.258 24.106) 33.446 16.829 ( 4.337 -17.172 -4.703) 18.325 16.897 ( -2.431 -17.849 -3.036) 18.268 28.484 ( 5.103 12.761 1.225) 13.798 28.610 ( -8.550 14.011 -0.815) 16.434 29.082 ( 1.686 7.736 -0.970) 7.976 29.113 ( -1.586 7.453 -0.860) 7.669 31.612 ( 6.928 -4.709 -2.967) 8.887 31.690 ( -1.924 -3.962 -1.998) 4.836 32.498 ( 0.467 -4.661 -0.671) 4.732 32.511 ( -0.852 -5.677 -0.996) 5.826 83.612 ( 2.574 -0.938 -3.014) 4.073 83.659 ( -1.938 -1.800 -4.232) 4.991 84.531 ( 9.302 -16.509 30.252) 35.697 84.703 ( -8.690 -23.980 40.993) 48.280 ======================= Grid point 90 (34/144) ======================= q-point: ( 0.00 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 27.140 8.511) 28.443 2.170 ( 0.000 30.749 4.988) 31.151 2.852 ( 0.000 14.491 0.445) 14.498 3.419 ( 0.000 9.123 9.817) 13.401 3.710 ( 0.000 3.783 -11.229) 11.849 4.199 ( 0.000 54.737 10.302) 55.699 4.322 ( 0.000 5.311 16.231) 17.078 4.977 ( 0.000 -5.553 -3.457) 6.541 5.681 ( 0.000 38.296 -6.993) 38.929 5.739 ( 0.000 23.303 -5.228) 23.882 5.923 ( 0.000 35.227 4.618) 35.529 6.184 ( 0.000 -1.828 7.178) 7.407 7.302 ( 0.000 2.018 1.226) 2.361 7.421 ( 0.000 4.301 7.173) 8.364 7.448 ( 0.000 -5.220 0.961) 5.308 8.333 ( 0.000 -5.155 0.926) 5.238 8.875 ( 0.000 9.416 -2.538) 9.752 8.921 ( 0.000 0.190 -9.463) 9.465 9.100 ( 0.000 9.222 0.185) 9.224 9.316 ( 0.000 8.034 4.364) 9.143 9.819 ( 0.000 1.168 2.703) 2.944 10.276 ( 0.000 -3.555 -5.000) 6.135 10.334 ( 0.000 -16.482 -5.397) 17.343 10.524 ( 0.000 -3.414 -6.837) 7.643 11.433 ( 0.000 -0.318 14.345) 14.349 11.932 ( 0.000 -0.467 2.011) 2.064 12.103 ( 0.000 12.271 1.675) 12.385 12.246 ( 0.000 13.412 -0.919) 13.444 12.685 ( 0.000 -3.601 0.983) 3.733 13.564 ( 0.000 3.562 -23.896) 24.160 13.725 ( 0.000 -3.481 -18.042) 18.374 13.752 ( 0.000 -15.044 -2.612) 15.269 15.239 ( 0.000 7.642 19.142) 20.611 16.259 ( 0.000 -16.045 -5.288) 16.894 16.424 ( 0.000 -13.740 5.788) 14.909 16.444 ( 0.000 -18.860 2.425) 19.015 28.648 ( 0.000 13.214 1.707) 13.324 29.124 ( 0.000 9.426 -5.628) 10.978 29.195 ( 0.000 8.901 -0.051) 8.901 29.311 ( 0.000 7.730 0.395) 7.740 31.380 ( 0.000 4.092 1.457) 4.344 31.661 ( 0.000 -1.507 -0.181) 1.518 32.381 ( 0.000 -7.812 -0.906) 7.865 32.406 ( 0.000 -5.149 -0.339) 5.161 83.552 ( 0.000 -1.209 0.536) 1.322 83.603 ( 0.000 -1.032 -1.628) 1.927 84.165 ( 0.000 -7.704 15.690) 17.480 84.366 ( 0.000 -18.645 33.293) 38.158 ======================= Grid point 91 (35/144) ======================= q-point: ( 0.20 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 5.473 26.598 6.581) 27.941 2.203 ( 4.417 28.524 6.122) 29.506 2.724 ( -12.083 16.428 -0.021) 20.393 3.135 ( -21.064 10.660 10.733) 25.933 3.920 ( 14.799 3.583 -9.462) 17.927 4.294 ( 9.090 49.176 8.446) 50.718 4.457 ( 10.810 7.732 12.543) 18.275 4.931 ( -3.580 -2.593 -0.123) 4.422 5.470 ( -15.036 38.300 -2.981) 41.253 5.650 ( -9.988 24.888 1.889) 26.883 6.061 ( 9.811 25.587 -1.753) 27.459 6.234 ( 3.687 5.443 3.454) 7.426 7.307 ( 0.666 0.542 2.191) 2.353 7.382 ( -1.905 1.818 4.661) 5.353 7.526 ( 6.029 -1.306 2.665) 6.720 8.216 ( -14.308 -1.090 0.518) 14.358 8.629 ( -4.000 4.527 -2.084) 6.390 9.006 ( -7.332 10.076 0.107) 12.461 9.219 ( 10.955 8.346 -5.543) 14.846 9.395 ( 5.652 4.837 1.248) 7.543 9.876 ( 6.819 -3.973 2.103) 8.167 10.310 ( -0.523 -11.808 -4.718) 12.726 10.317 ( 1.882 -7.275 -6.052) 9.649 10.522 ( -0.380 -3.430 -6.496) 7.356 11.432 ( 0.396 -0.408 13.127) 13.139 11.810 ( -10.307 -0.127 3.379) 10.848 12.143 ( 2.632 12.995 0.893) 13.289 12.242 ( -0.596 13.407 -0.147) 13.421 12.792 ( 10.778 -5.592 0.466) 12.152 13.533 ( -5.092 -0.994 -16.241) 17.049 13.696 ( -3.577 -10.252 -9.495) 14.424 13.718 ( -1.037 -3.722 -17.747) 18.162 15.333 ( 9.642 6.506 17.906) 21.353 16.139 ( -12.267 -9.001 4.907) 15.986 16.391 ( 1.733 -18.317 -1.845) 18.491 16.516 ( 2.154 -18.530 0.955) 18.679 28.674 ( 2.883 13.327 1.503) 13.718 29.037 ( -7.468 10.964 -3.250) 13.658 29.223 ( 1.712 8.734 -0.836) 8.939 29.299 ( -1.078 7.926 0.224) 8.002 31.443 ( 5.797 1.962 0.486) 6.140 31.656 ( -0.655 -1.668 -0.371) 1.830 32.381 ( 0.011 -7.514 -0.849) 7.562 32.401 ( -0.532 -5.320 -0.351) 5.358 83.562 ( 1.198 -0.653 -0.777) 1.571 83.622 ( 1.272 -1.591 -2.450) 3.186 84.178 ( 1.627 -9.247 18.143) 20.428 84.349 ( -1.814 -17.977 31.192) 36.047 ======================= Grid point 92 (36/144) ======================= q-point: ( 0.40 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 8.636 25.063 1.374) 26.544 2.320 ( 1.785 22.632 3.052) 22.906 2.519 ( -2.056 20.187 7.314) 21.570 2.750 ( -19.036 15.700 13.081) 27.928 4.196 ( 14.214 3.200 -8.125) 16.682 4.395 ( -4.085 14.728 -2.654) 15.513 4.647 ( 12.768 30.495 8.090) 34.035 4.875 ( -6.604 18.413 9.296) 21.658 5.270 ( -0.869 30.853 2.030) 30.932 5.427 ( -12.694 20.865 5.866) 25.118 6.213 ( 5.992 18.552 -2.835) 19.701 6.272 ( -0.292 12.837 -0.754) 12.862 7.327 ( 1.323 -0.217 3.574) 3.817 7.352 ( -1.419 0.988 4.239) 4.578 7.671 ( 9.949 0.850 1.797) 10.146 7.909 ( -15.623 2.223 0.951) 15.809 8.686 ( 7.204 4.993 -0.211) 8.767 8.846 ( -9.204 7.878 0.444) 12.123 9.361 ( 5.508 10.805 -2.770) 12.440 9.433 ( -1.713 8.196 -1.580) 8.521 10.057 ( 10.703 -12.604 -1.172) 16.577 10.225 ( -6.902 -15.113 -4.090) 17.111 10.410 ( 5.557 -2.594 -5.939) 8.537 10.494 ( -3.023 -3.027 -5.998) 7.368 11.473 ( 4.596 -0.566 9.951) 10.976 11.611 ( -9.890 -0.469 6.203) 11.684 12.186 ( 2.062 13.906 0.581) 14.070 12.221 ( -1.598 13.792 0.473) 13.892 13.049 ( 15.655 -8.294 -0.845) 17.737 13.338 ( -14.392 -8.571 -3.835) 17.184 13.675 ( 0.655 -3.379 -18.593) 18.909 13.696 ( -1.281 -2.931 -18.929) 19.197 15.570 ( 14.992 3.421 15.187) 21.613 15.865 ( -16.038 -1.719 11.473) 19.794 16.452 ( 3.891 -19.154 -3.116) 19.792 16.513 ( -2.166 -19.248 -1.747) 19.448 28.755 ( 5.758 13.446 0.772) 14.647 28.885 ( -8.018 12.868 -0.798) 15.183 29.252 ( 1.398 8.536 -0.534) 8.666 29.277 ( -1.288 8.219 -0.175) 8.321 31.555 ( 5.406 -0.913 -0.665) 5.523 31.629 ( -2.534 -1.829 -0.749) 3.214 32.383 ( 0.211 -6.747 -0.672) 6.784 32.390 ( -0.541 -5.886 -0.456) 5.929 83.595 ( 2.124 -0.589 -2.606) 3.413 83.627 ( -0.902 -1.249 -3.472) 3.798 84.229 ( 3.619 -12.837 22.588) 26.232 84.299 ( -3.504 -16.041 26.872) 31.491 ======================= Grid point 95 (37/144) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 0.000 24.897 1.103) 24.921 2.783 ( 0.000 29.148 2.710) 29.274 3.163 ( 0.000 15.780 -0.254) 15.782 3.584 ( 0.000 7.782 7.333) 10.693 3.776 ( 0.000 2.866 -11.227) 11.587 4.368 ( 0.000 -0.151 16.386) 16.387 4.843 ( 0.000 -7.522 -3.877) 8.463 5.114 ( 0.000 28.780 4.112) 29.072 5.976 ( 0.000 8.138 0.511) 8.154 6.355 ( 0.000 13.352 5.806) 14.560 6.405 ( 0.000 30.720 -6.615) 31.424 6.584 ( 0.000 26.163 1.240) 26.192 7.375 ( 0.000 -0.158 1.982) 1.988 7.404 ( 0.000 10.026 -1.758) 10.179 7.608 ( 0.000 12.370 3.126) 12.759 8.231 ( 0.000 -4.230 1.561) 4.509 8.854 ( 0.000 -3.675 -3.426) 5.024 9.079 ( 0.000 10.678 -4.192) 11.472 9.318 ( 0.000 12.131 -1.002) 12.172 9.556 ( 0.000 13.115 0.015) 13.115 9.844 ( 0.000 0.817 1.063) 1.341 9.997 ( 0.000 -14.398 -0.221) 14.399 10.184 ( 0.000 -5.561 -3.294) 6.463 10.477 ( 0.000 -3.102 -7.845) 8.436 11.448 ( 0.000 2.174 11.372) 11.578 11.933 ( 0.000 0.662 3.397) 3.461 12.274 ( 0.000 2.996 4.224) 5.179 12.490 ( 0.000 9.558 1.443) 9.666 12.686 ( 0.000 5.363 -1.848) 5.673 13.445 ( 0.000 -14.501 -3.525) 14.923 13.542 ( 0.000 -4.533 -13.210) 13.966 13.664 ( 0.000 -2.580 -14.757) 14.981 15.346 ( 0.000 2.614 10.264) 10.591 15.920 ( 0.000 -16.576 -4.052) 17.064 16.066 ( 0.000 -17.579 2.740) 17.791 16.148 ( 0.000 -13.417 2.255) 13.605 28.919 ( 0.000 13.081 1.287) 13.144 29.307 ( 0.000 8.483 -3.271) 9.092 29.374 ( 0.000 8.303 0.369) 8.311 29.456 ( 0.000 6.211 1.262) 6.338 31.478 ( 0.000 5.397 0.979) 5.485 31.647 ( 0.000 0.124 -0.172) 0.212 32.219 ( 0.000 -7.914 -0.740) 7.949 32.291 ( 0.000 -6.097 -0.303) 6.105 83.543 ( 0.000 0.118 -0.345) 0.365 83.582 ( 0.000 -0.997 -0.780) 1.265 84.019 ( 0.000 -6.426 11.176) 12.891 84.067 ( 0.000 -11.378 18.369) 21.607 ======================= Grid point 96 (38/144) ======================= q-point: ( 0.20 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 4.593 24.425 0.555) 24.860 2.784 ( 0.603 28.060 3.203) 28.248 3.081 ( -7.969 18.298 -0.818) 19.974 3.349 ( -15.709 10.681 7.393) 20.384 3.970 ( 12.932 1.811 -9.381) 16.079 4.489 ( 8.142 -0.715 11.525) 14.129 4.799 ( -1.381 -6.571 -0.853) 6.769 5.157 ( 3.088 21.595 5.347) 22.461 5.921 ( -4.957 13.818 2.833) 14.951 6.179 ( -10.714 27.261 -0.925) 29.305 6.550 ( 7.102 19.820 -1.631) 21.118 6.612 ( 2.788 24.196 0.718) 24.366 7.323 ( -1.356 2.232 1.199) 2.873 7.470 ( 0.955 6.981 -2.024) 7.331 7.599 ( 1.752 8.821 4.199) 9.926 8.170 ( -8.611 -2.436 0.806) 8.985 8.728 ( -2.002 5.325 -1.858) 5.985 9.230 ( -8.157 12.231 -1.085) 14.742 9.315 ( 14.923 3.982 -5.086) 16.261 9.590 ( 2.526 11.861 -0.166) 12.128 9.846 ( 0.522 -0.432 1.099) 1.291 9.997 ( -0.477 -12.718 0.091) 12.727 10.231 ( 4.854 -5.159 -3.968) 8.120 10.474 ( -0.622 -3.092 -7.470) 8.109 11.445 ( 0.175 2.022 10.657) 10.849 11.816 ( -10.247 0.967 4.427) 11.204 12.344 ( 5.339 4.384 3.343) 7.674 12.485 ( -0.513 9.500 1.525) 9.636 12.735 ( 5.546 2.237 -1.549) 6.177 13.346 ( -9.350 -12.619 -3.143) 16.017 13.563 ( 1.526 -5.301 -13.032) 14.152 13.653 ( -1.122 -2.955 -14.523) 14.863 15.414 ( 6.960 1.290 9.409) 11.774 15.909 ( -3.306 -13.189 -0.752) 13.618 16.028 ( -0.804 -16.745 1.407) 16.823 16.159 ( 0.027 -16.006 0.748) 16.023 28.946 ( 2.827 12.969 1.127) 13.321 29.248 ( -5.311 9.670 -1.875) 11.190 29.395 ( 1.357 7.794 -0.214) 7.914 29.449 ( -0.694 6.452 1.007) 6.567 31.508 ( 2.922 4.247 0.611) 5.191 31.641 ( -0.653 0.221 -0.221) 0.724 32.224 ( 0.571 -7.691 -0.682) 7.742 32.282 ( -0.853 -6.208 -0.322) 6.274 83.557 ( 1.464 0.181 -0.830) 1.692 83.596 ( 1.182 -0.985 -1.521) 2.164 84.009 ( -0.705 -7.291 13.111) 15.018 84.058 ( -0.990 -11.094 17.245) 20.529 ======================= Grid point 97 (39/144) ======================= q-point: ( 0.40 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 6.864 24.077 -1.125) 25.061 2.801 ( -1.765 24.409 0.926) 24.490 2.948 ( -1.266 21.410 3.821) 21.785 3.084 ( -12.162 16.868 8.374) 22.418 4.217 ( 13.411 -0.316 -7.968) 15.603 4.449 ( -10.337 -1.390 -4.563) 11.385 4.947 ( 13.776 -4.554 11.024) 18.222 5.150 ( -5.743 4.587 8.902) 11.544 5.868 ( 1.509 28.720 2.659) 28.882 5.985 ( -9.545 33.146 -0.363) 34.494 6.643 ( 3.019 19.149 -1.938) 19.482 6.660 ( 1.280 20.716 -0.766) 20.770 7.340 ( 2.951 2.348 1.092) 3.926 7.415 ( -4.574 4.807 0.342) 6.645 7.716 ( 9.534 4.598 1.779) 10.733 7.937 ( -13.712 1.373 0.649) 13.796 8.828 ( 10.158 9.235 -0.963) 13.762 9.039 ( -11.539 11.397 -0.922) 16.245 9.535 ( 7.881 5.706 -4.790) 10.845 9.613 ( -0.914 9.329 -1.963) 9.577 9.883 ( 3.728 -4.538 1.191) 5.992 9.961 ( -3.550 -9.410 0.447) 10.067 10.344 ( 6.367 -4.212 -5.002) 9.126 10.440 ( -3.467 -3.412 -6.287) 7.949 11.481 ( 4.355 1.646 8.749) 9.911 11.617 ( -9.899 1.267 6.385) 11.847 12.426 ( 3.241 7.732 2.145) 8.653 12.468 ( -1.454 9.270 1.655) 9.528 12.896 ( 11.330 -4.776 -1.179) 12.352 13.130 ( -12.955 -9.898 -1.841) 16.407 13.593 ( 1.684 -4.739 -13.418) 14.330 13.625 ( -1.725 -3.810 -13.961) 14.573 15.582 ( 10.335 -2.120 7.483) 12.934 15.775 ( -9.700 -6.828 4.940) 12.850 16.070 ( 3.744 -17.760 -1.411) 18.205 16.134 ( -2.682 -17.390 -0.778) 17.612 29.022 ( 5.241 12.495 0.586) 13.562 29.134 ( -6.453 11.367 -0.442) 13.078 29.417 ( 1.008 7.327 0.012) 7.396 29.434 ( -0.867 6.886 0.486) 6.958 31.569 ( 3.250 2.138 0.010) 3.891 31.618 ( -1.900 0.738 -0.251) 2.054 32.240 ( 1.059 -7.143 -0.541) 7.241 32.262 ( -1.237 -6.567 -0.399) 6.695 83.590 ( 1.733 0.082 -1.928) 2.594 83.609 ( -0.109 -0.481 -2.515) 2.563 84.007 ( 0.650 -9.094 15.504) 17.986 84.031 ( -1.695 -10.494 16.283) 19.446 ======================= Grid point 100 (40/144) ======================= q-point: ( 0.00 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 0.000 20.681 -2.594) 20.843 3.348 ( 0.000 25.569 0.748) 25.580 3.474 ( 0.000 13.932 0.203) 13.934 3.764 ( 0.000 10.477 2.215) 10.708 3.828 ( 0.000 2.527 -9.044) 9.391 4.325 ( 0.000 -4.150 12.477) 13.149 4.671 ( 0.000 -9.230 -4.889) 10.445 5.228 ( 0.000 -10.559 0.778) 10.588 6.371 ( 0.000 22.631 1.733) 22.697 6.550 ( 0.000 8.156 5.854) 10.040 6.835 ( 0.000 6.258 -1.930) 6.549 6.905 ( 0.000 10.513 -1.726) 10.654 7.536 ( 0.000 15.227 1.618) 15.313 7.671 ( 0.000 13.636 -6.119) 14.946 7.881 ( 0.000 12.958 2.909) 13.281 8.178 ( 0.000 -1.067 0.952) 1.430 8.843 ( 0.000 3.765 -2.057) 4.290 9.304 ( 0.000 10.681 -6.475) 12.491 9.583 ( 0.000 13.250 -3.077) 13.602 9.738 ( 0.000 -3.914 0.748) 3.984 9.837 ( 0.000 6.876 -1.952) 7.147 9.843 ( 0.000 -0.778 0.496) 0.922 10.048 ( 0.000 -7.637 -1.349) 7.756 10.384 ( 0.000 -6.055 -5.464) 8.156 11.542 ( 0.000 7.622 8.172) 11.175 11.960 ( 0.000 1.999 4.887) 5.280 12.253 ( 0.000 -3.396 5.721) 6.653 12.588 ( 0.000 -0.831 2.919) 3.035 12.886 ( 0.000 11.968 -2.382) 12.203 13.198 ( 0.000 -8.219 -3.997) 9.140 13.433 ( 0.000 -5.610 -9.698) 11.204 13.597 ( 0.000 -4.151 -8.854) 9.779 15.351 ( 0.000 -1.680 4.901) 5.181 15.607 ( 0.000 -13.590 -2.218) 13.770 15.747 ( 0.000 -13.153 2.065) 13.314 15.880 ( 0.000 -12.642 1.332) 12.712 29.171 ( 0.000 11.349 0.988) 11.392 29.462 ( 0.000 6.409 -1.913) 6.688 29.524 ( 0.000 6.121 0.674) 6.158 29.557 ( 0.000 3.538 1.732) 3.939 31.598 ( 0.000 6.366 0.547) 6.390 31.667 ( 0.000 1.897 -0.307) 1.922 32.063 ( 0.000 -7.291 -0.686) 7.323 32.160 ( 0.000 -6.665 -0.229) 6.669 83.551 ( 0.000 0.498 0.414) 0.647 83.564 ( 0.000 -0.721 -0.023) 0.721 83.887 ( 0.000 -6.454 9.087) 11.146 83.905 ( 0.000 -4.671 7.195) 8.578 ======================= Grid point 101 (41/144) ======================= q-point: ( 0.20 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 4.464 20.951 -2.614) 21.580 3.332 ( -1.067 24.665 1.601) 24.740 3.452 ( -3.274 17.403 -0.555) 17.717 3.581 ( -10.173 12.568 1.649) 16.253 3.998 ( 9.788 0.970 -8.311) 12.878 4.430 ( 8.464 -5.120 10.980) 14.780 4.621 ( -3.128 -9.937 -3.958) 11.144 5.180 ( -5.422 -11.827 2.955) 13.342 6.384 ( 1.539 22.810 0.851) 22.877 6.540 ( -1.109 11.547 3.330) 12.069 6.859 ( 2.494 6.198 -1.213) 6.790 6.936 ( 2.562 9.213 -0.509) 9.576 7.479 ( -3.769 14.090 0.640) 14.599 7.674 ( -3.253 11.091 -3.712) 12.140 7.824 ( -1.734 11.444 1.759) 11.708 8.141 ( -5.843 -0.441 0.602) 5.891 8.872 ( 5.876 9.596 -2.415) 11.509 9.435 ( 10.941 7.451 -6.151) 14.596 9.502 ( -7.963 13.707 -2.989) 16.131 9.765 ( 2.601 -4.180 0.927) 5.010 9.812 ( -1.271 5.655 -2.539) 6.327 9.880 ( 1.540 1.458 1.394) 2.538 10.103 ( 5.687 -7.325 -2.284) 9.551 10.382 ( -0.542 -5.931 -5.419) 8.052 11.534 ( -0.405 7.191 8.009) 10.771 11.855 ( -9.364 2.884 5.525) 11.249 12.315 ( 5.333 -5.106 5.305) 9.091 12.575 ( -1.480 -1.942 3.002) 3.869 12.896 ( 1.178 11.035 -2.351) 11.344 13.138 ( -5.707 -5.754 -3.530) 8.840 13.450 ( 1.717 -5.579 -9.565) 11.206 13.580 ( -1.706 -4.296 -8.863) 9.996 15.395 ( 4.442 -2.715 4.393) 6.811 15.633 ( 2.111 -12.751 -1.945) 13.070 15.725 ( -1.799 -12.581 2.378) 12.930 15.865 ( -1.614 -12.973 0.939) 13.106 29.194 ( 2.424 11.124 0.891) 11.420 29.426 ( -3.527 7.617 -1.036) 8.457 29.530 ( 0.493 5.033 0.405) 5.073 29.555 ( -0.182 4.002 1.353) 4.228 31.610 ( 1.172 5.679 0.382) 5.811 31.665 ( -0.245 2.121 -0.290) 2.155 32.071 ( 0.905 -7.197 -0.632) 7.281 32.150 ( -1.013 -6.690 -0.262) 6.772 83.565 ( 1.493 0.450 0.175) 1.569 83.582 ( 1.632 -0.358 -0.604) 1.776 83.870 ( -1.459 -6.235 9.365) 11.345 83.893 ( -1.335 -5.396 7.640) 9.449 ======================= Grid point 102 (42/144) ======================= q-point: ( 0.40 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 7.840 22.040 -2.327) 23.509 3.304 ( -4.993 24.337 0.308) 24.846 3.371 ( -1.232 19.365 0.736) 19.419 3.430 ( -5.932 16.995 2.936) 18.238 4.190 ( 10.996 -2.423 -7.609) 13.590 4.391 ( -9.713 -4.186 -4.929) 11.669 4.763 ( 14.488 -12.345 8.687) 20.923 5.019 ( -11.793 -13.050 6.839) 18.872 6.433 ( 3.641 21.713 -0.684) 22.027 6.502 ( -3.116 17.472 -0.170) 17.749 6.919 ( 3.479 6.992 0.352) 7.818 6.963 ( -0.493 7.919 1.004) 7.997 7.456 ( 2.096 10.302 0.007) 10.513 7.552 ( -7.262 8.683 -0.494) 11.330 7.862 ( 4.595 8.183 -0.524) 9.400 7.987 ( -8.630 3.215 -0.031) 9.210 9.063 ( 12.909 13.498 -2.674) 18.867 9.306 ( -12.371 14.244 -2.918) 19.091 9.634 ( 9.095 4.781 -5.755) 11.777 9.758 ( -4.170 3.078 -4.475) 6.848 9.834 ( 3.340 0.670 1.816) 3.860 9.882 ( -1.420 0.740 2.283) 2.789 10.234 ( 7.366 -6.457 -3.603) 10.437 10.344 ( -3.944 -5.920 -4.815) 8.589 11.555 ( 3.396 5.997 7.505) 10.189 11.673 ( -8.933 4.404 6.597) 11.946 12.424 ( 6.076 -6.981 4.473) 10.280 12.524 ( -4.184 -5.132 3.506) 7.492 12.935 ( 3.161 7.593 -2.382) 8.563 13.021 ( -6.004 0.807 -2.756) 6.656 13.490 ( 2.480 -5.193 -9.231) 10.878 13.539 ( -2.583 -4.684 -8.956) 10.432 15.500 ( 6.323 -5.263 3.252) 8.847 15.610 ( -4.829 -8.461 1.566) 9.867 15.745 ( 3.834 -13.737 0.209) 14.264 15.818 ( -3.436 -13.460 0.251) 13.894 29.257 ( 4.266 10.412 0.565) 11.267 29.345 ( -4.837 9.188 -0.062) 10.384 29.540 ( 0.547 4.411 0.490) 4.471 29.549 ( -0.457 4.327 0.829) 4.429 31.636 ( 1.359 4.196 0.051) 4.411 31.656 ( -0.795 2.872 -0.194) 2.986 32.095 ( 1.524 -6.984 -0.499) 7.165 32.125 ( -1.592 -6.790 -0.358) 6.984 83.598 ( 1.586 0.624 -0.803) 1.884 83.608 ( 0.684 0.407 -1.512) 1.709 83.848 ( -0.430 -6.536 9.876) 11.851 83.862 ( -1.637 -6.341 8.859) 11.017 ======================= Grid point 105 (43/144) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 0.000 16.027 -2.946) 16.296 3.699 ( 0.000 3.863 -7.386) 8.335 3.717 ( 0.000 10.341 -1.685) 10.477 3.977 ( 0.000 14.043 3.655) 14.511 4.012 ( 0.000 12.980 -1.135) 13.029 4.208 ( 0.000 -4.843 2.866) 5.628 4.476 ( 0.000 -9.729 -4.089) 10.553 4.905 ( 0.000 -19.209 1.134) 19.242 6.588 ( 0.000 4.771 0.771) 4.833 6.800 ( 0.000 -4.918 0.235) 4.924 6.846 ( 0.000 14.360 3.337) 14.743 7.050 ( 0.000 2.680 0.122) 2.683 7.844 ( 0.000 12.293 -1.493) 12.384 7.897 ( 0.000 8.022 -6.356) 10.235 8.081 ( 0.000 5.978 3.139) 6.752 8.165 ( 0.000 -0.850 0.640) 1.064 9.022 ( 0.000 12.886 -3.322) 13.308 9.440 ( 0.000 -0.019 -7.431) 7.431 9.668 ( 0.000 -0.410 1.264) 1.329 9.824 ( 0.000 6.980 -4.497) 8.303 9.853 ( 0.000 2.510 -1.079) 2.732 9.899 ( 0.000 -2.595 1.190) 2.855 9.980 ( 0.000 3.951 -3.824) 5.498 10.234 ( 0.000 -8.506 -3.656) 9.259 11.771 ( 0.000 14.590 5.436) 15.569 12.014 ( 0.000 3.242 6.040) 6.855 12.172 ( 0.000 -4.167 6.255) 7.516 12.434 ( 0.000 -13.252 2.641) 13.512 13.103 ( 0.000 6.710 -3.780) 7.701 13.165 ( 0.000 6.313 -1.466) 6.481 13.319 ( 0.000 -5.531 -7.363) 9.209 13.493 ( 0.000 -6.126 -4.363) 7.521 15.303 ( 0.000 -2.197 2.194) 3.105 15.385 ( 0.000 -7.820 -0.469) 7.834 15.548 ( 0.000 -5.898 1.160) 6.011 15.648 ( 0.000 -9.505 1.099) 9.569 29.374 ( 0.000 8.387 0.815) 8.426 29.547 ( 0.000 1.043 -0.504) 1.159 29.610 ( 0.000 2.327 1.335) 2.683 29.618 ( 0.000 2.987 0.775) 3.086 31.723 ( 0.000 3.511 -0.479) 3.544 31.734 ( 0.000 6.886 0.217) 6.890 31.924 ( 0.000 -6.236 -0.652) 6.270 32.020 ( 0.000 -6.955 -0.122) 6.956 83.554 ( 0.000 -0.224 0.756) 0.789 83.557 ( 0.000 0.058 1.578) 1.579 83.799 ( 0.000 -2.238 3.714) 4.336 83.828 ( 0.000 -2.919 4.120) 5.049 ======================= Grid point 106 (44/144) ======================= q-point: ( 0.20 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 5.854 16.966 -2.926) 18.185 3.708 ( 0.588 12.615 -1.263) 12.692 3.734 ( 1.483 7.257 -5.948) 9.500 3.931 ( -3.557 21.073 2.702) 21.541 4.039 ( 0.958 4.945 -4.656) 6.859 4.270 ( 7.607 -9.991 6.279) 14.040 4.421 ( -5.591 -9.324 -4.975) 11.956 4.849 ( -5.925 -19.208 2.437) 20.248 6.617 ( 3.108 5.564 0.149) 6.375 6.826 ( 0.611 4.619 0.889) 4.743 6.849 ( 1.984 3.936 1.647) 4.706 7.049 ( -0.349 1.593 0.640) 1.752 7.779 ( -4.707 12.591 -2.637) 13.699 7.883 ( -4.197 9.024 -1.868) 10.126 7.997 ( -4.180 4.589 -0.432) 6.222 8.130 ( -4.762 -1.294 1.120) 5.061 9.123 ( 10.133 14.123 -3.696) 17.771 9.534 ( 8.567 -0.541 -7.137) 11.163 9.720 ( 4.632 1.636 1.005) 5.014 9.769 ( -5.925 10.628 -4.277) 12.898 9.867 ( 0.030 4.220 -1.053) 4.349 9.943 ( 6.099 -7.887 -0.581) 9.987 9.973 ( -1.133 3.211 -2.566) 4.264 10.235 ( -0.243 -8.315 -3.791) 9.141 11.751 ( -1.722 13.853 5.669) 15.067 11.936 ( -7.006 5.049 6.323) 10.704 12.190 ( 1.416 -6.658 5.987) 9.065 12.399 ( -3.644 -13.771 2.967) 14.551 13.103 ( 0.044 6.857 -3.518) 7.707 13.151 ( -1.301 7.330 -1.511) 7.596 13.337 ( 1.791 -5.596 -6.943) 9.095 13.476 ( -1.763 -6.047 -4.592) 7.795 15.333 ( 2.975 -2.523 1.862) 4.322 15.421 ( 3.448 -7.755 -0.373) 8.495 15.534 ( -1.563 -5.708 1.277) 6.054 15.633 ( -1.617 -9.375 0.976) 9.563 29.392 ( 1.878 8.123 0.781) 8.374 29.544 ( -0.756 2.972 -0.583) 3.121 29.588 ( -1.178 1.683 1.463) 2.522 29.621 ( -0.290 2.104 0.804) 2.271 31.726 ( 0.282 3.745 -0.433) 3.780 31.735 ( 0.064 6.465 0.128) 6.466 31.933 ( 0.949 -6.282 -0.600) 6.382 32.011 ( -0.955 -6.865 -0.170) 6.933 83.570 ( 1.830 0.185 0.961) 2.076 83.581 ( 2.245 0.050 1.096) 2.499 83.780 ( -1.892 -2.496 3.920) 5.018 83.808 ( -2.068 -3.119 4.167) 5.601 ======================= Grid point 107 (45/144) ======================= q-point: ( 0.40 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( 9.601 18.751 -3.027) 21.283 3.717 ( -1.277 14.958 -3.285) 15.367 3.742 ( 0.217 16.171 -0.397) 16.177 3.812 ( -7.799 21.407 0.778) 22.797 4.117 ( 7.491 -4.392 -5.929) 10.515 4.277 ( -8.726 -6.962 -5.165) 12.300 4.470 ( 12.110 -15.795 5.832) 20.740 4.691 ( -10.757 -18.394 4.771) 21.836 6.697 ( 5.042 7.571 -0.665) 9.121 6.786 ( -3.918 10.250 -0.084) 10.974 6.935 ( 5.528 -3.521 0.874) 6.613 7.021 ( -3.133 -1.239 1.202) 3.577 7.718 ( -0.830 12.761 -1.373) 12.862 7.766 ( -5.685 11.425 0.479) 12.771 7.975 ( 0.955 1.732 -2.088) 2.876 8.029 ( -4.770 -0.088 -0.145) 4.773 9.354 ( 13.480 14.193 -4.106) 20.000 9.592 ( -11.454 12.933 -4.304) 17.804 9.703 ( 8.562 0.213 -6.455) 10.725 9.824 ( -2.187 4.661 -4.934) 7.131 9.847 ( 3.899 0.499 1.945) 4.386 9.931 ( -3.302 2.724 0.240) 4.287 10.088 ( 7.939 -7.628 -2.323) 11.252 10.202 ( -3.872 -7.814 -3.512) 9.401 11.736 ( 0.948 11.639 6.256) 13.248 11.803 ( -6.131 8.350 6.595) 12.280 12.230 ( 3.246 -10.937 5.194) 12.535 12.312 ( -5.160 -13.646 3.954) 15.115 13.108 ( 0.610 7.644 -2.741) 8.143 13.126 ( -1.232 8.243 -1.913) 8.551 13.380 ( 2.694 -5.730 -6.077) 8.776 13.432 ( -2.739 -5.882 -5.213) 8.323 15.403 ( 4.181 -3.280 1.263) 5.462 15.469 ( -1.573 -4.630 0.146) 4.892 15.518 ( 2.740 -8.288 1.203) 8.812 15.586 ( -3.382 -9.060 0.749) 9.700 29.440 ( 3.176 7.359 0.645) 8.041 29.503 ( -3.245 6.138 0.256) 6.948 29.588 ( 0.862 0.398 0.884) 1.297 29.607 ( -1.007 1.205 0.748) 1.739 31.732 ( 0.296 4.437 -0.294) 4.457 31.735 ( -0.083 5.469 -0.080) 5.471 31.957 ( 1.543 -6.426 -0.464) 6.625 31.987 ( -1.547 -6.649 -0.300) 6.833 83.614 ( 2.353 1.022 0.465) 2.607 83.625 ( 1.689 1.102 0.201) 2.027 83.742 ( -1.337 -3.758 4.825) 6.260 83.760 ( -2.634 -3.839 4.618) 6.558 ======================= Grid point 110 (46/144) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 0.000 -8.282 -4.717) 9.531 3.632 ( 0.000 8.282 -4.717) 9.531 3.930 ( 0.000 -10.678 -0.156) 10.680 3.930 ( 0.000 10.678 -0.156) 10.680 4.261 ( 0.000 -10.924 -2.624) 11.235 4.261 ( 0.000 10.924 -2.624) 11.235 4.482 ( 0.000 -21.311 0.906) 21.330 4.482 ( 0.000 21.311 0.906) 21.330 6.690 ( 0.000 -5.421 0.721) 5.468 6.690 ( 0.000 5.421 0.721) 5.468 7.033 ( 0.000 -4.444 1.423) 4.666 7.033 ( 0.000 4.444 1.423) 4.666 7.983 ( 0.000 -0.648 -4.811) 4.854 7.983 ( 0.000 0.648 -4.811) 4.854 8.140 ( 0.000 -1.205 2.423) 2.706 8.140 ( 0.000 1.205 2.423) 2.706 9.296 ( 0.000 -12.098 -5.048) 13.109 9.296 ( 0.000 12.098 -5.048) 13.109 9.724 ( 0.000 -5.464 0.452) 5.482 9.724 ( 0.000 5.464 0.452) 5.482 9.978 ( 0.000 -4.086 -4.292) 5.926 9.978 ( 0.000 4.086 -4.292) 5.926 10.045 ( 0.000 -9.599 -2.315) 9.874 10.045 ( 0.000 9.599 -2.315) 9.874 12.085 ( 0.000 -5.629 5.927) 8.174 12.085 ( 0.000 5.629 5.927) 8.174 12.112 ( 0.000 -15.731 3.957) 16.221 12.112 ( 0.000 15.731 3.957) 16.221 13.207 ( 0.000 -5.283 -5.294) 7.479 13.207 ( 0.000 5.283 -5.294) 7.479 13.344 ( 0.000 -8.466 -1.635) 8.623 13.344 ( 0.000 8.466 -1.635) 8.623 15.291 ( 0.000 -1.581 0.843) 1.792 15.291 ( 0.000 1.581 0.843) 1.792 15.517 ( 0.000 -2.778 0.846) 2.904 15.517 ( 0.000 2.778 0.846) 2.904 29.507 ( 0.000 -4.478 0.607) 4.518 29.507 ( 0.000 4.478 0.607) 4.518 29.644 ( 0.000 -0.391 0.748) 0.844 29.644 ( 0.000 0.391 0.748) 0.844 31.809 ( 0.000 -4.913 -0.629) 4.953 31.809 ( 0.000 4.913 -0.629) 4.953 31.877 ( 0.000 -7.003 0.044) 7.004 31.877 ( 0.000 7.003 0.044) 7.004 83.554 ( 0.000 -0.197 1.565) 1.578 83.554 ( 0.000 0.197 1.565) 1.578 83.788 ( 0.000 -0.907 2.469) 2.630 83.788 ( 0.000 0.907 2.469) 2.630 ======================= Grid point 112 (47/144) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 7.051 -8.280 -4.944) 11.946 3.702 ( 7.051 8.280 -4.944) 11.946 3.964 ( 3.320 -12.346 -0.242) 12.787 3.964 ( 3.320 12.346 -0.242) 12.787 4.226 ( -3.489 -9.183 -2.666) 10.178 4.226 ( -3.489 9.183 -2.666) 10.178 4.426 ( -5.742 -21.492 1.770) 22.316 4.426 ( -5.742 21.492 1.770) 22.316 6.727 ( 3.959 -5.556 0.577) 6.846 6.727 ( 3.959 5.556 0.577) 6.846 7.015 ( -2.121 -4.836 1.122) 5.398 7.015 ( -2.121 4.836 1.122) 5.398 7.954 ( -2.548 -4.108 -4.200) 6.404 7.954 ( -2.548 4.108 -4.200) 6.404 8.071 ( -6.154 -4.548 1.922) 7.890 8.071 ( -6.154 4.548 1.922) 7.890 9.397 ( 9.619 -11.447 -5.076) 15.790 9.397 ( 9.619 11.447 -5.076) 15.790 9.792 ( 6.633 -5.836 0.470) 8.847 9.792 ( 6.633 5.836 0.470) 8.847 9.932 ( -4.765 -3.792 -5.009) 7.885 9.932 ( -4.765 3.792 -5.009) 7.885 10.054 ( 0.490 -8.546 -2.014) 8.794 10.054 ( 0.490 8.546 -2.014) 8.794 12.049 ( -3.197 -7.607 5.710) 10.035 12.049 ( -3.197 7.607 5.710) 10.035 12.080 ( -3.168 -14.764 4.577) 15.778 12.080 ( -3.168 14.764 4.577) 15.778 13.220 ( 1.284 -5.704 -4.848) 7.595 13.220 ( 1.284 5.704 -4.848) 7.595 13.330 ( -1.420 -8.197 -1.948) 8.544 13.330 ( -1.420 8.197 -1.948) 8.544 15.322 ( 3.091 -1.944 0.790) 3.736 15.322 ( 3.091 1.944 0.790) 3.736 15.504 ( -1.433 -2.773 0.794) 3.221 15.504 ( -1.433 2.773 0.794) 3.221 29.519 ( 1.304 -4.202 0.625) 4.444 29.519 ( 1.304 4.202 0.625) 4.444 29.630 ( -1.416 -1.205 0.739) 2.001 29.630 ( -1.416 1.205 0.739) 2.001 31.816 ( 0.727 -5.075 -0.569) 5.158 31.816 ( 0.727 5.075 -0.569) 5.158 31.871 ( -0.621 -6.766 -0.025) 6.794 31.871 ( -0.621 6.766 -0.025) 6.794 83.577 ( 2.331 -0.380 1.649) 2.881 83.577 ( 2.331 0.380 1.649) 2.881 83.766 ( -2.298 -0.888 2.380) 3.426 83.766 ( -2.298 0.888 2.380) 3.426 ======================= Grid point 114 (48/144) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 9.620 -6.641 -5.611) 12.966 3.867 ( 9.620 6.641 -5.611) 12.966 4.002 ( -2.392 -6.875 -3.819) 8.220 4.002 ( -2.392 6.875 -3.819) 8.220 4.179 ( 1.512 -6.184 0.971) 6.439 4.179 ( 1.512 6.184 0.971) 6.439 4.289 ( -8.041 -19.698 3.179) 21.512 4.289 ( -8.041 19.698 3.179) 21.512 6.828 ( 6.447 -5.792 0.380) 8.675 6.828 ( 6.447 5.792 0.380) 8.675 6.945 ( -5.422 -5.606 0.562) 7.819 6.945 ( -5.422 5.606 0.562) 7.819 7.921 ( -0.176 -6.387 -2.160) 6.745 7.921 ( -0.176 6.387 -2.160) 6.745 7.963 ( -4.531 -6.405 0.186) 7.848 7.963 ( -4.531 6.405 0.186) 7.848 9.604 ( 11.469 -9.400 -5.010) 15.652 9.604 ( 11.469 9.400 -5.010) 15.652 9.798 ( -8.831 -6.355 -4.386) 11.731 9.798 ( -8.831 6.355 -4.386) 11.731 9.939 ( 7.258 -6.375 -1.325) 9.751 9.939 ( 7.258 6.375 -1.325) 9.751 10.038 ( -2.893 -7.736 -1.735) 8.439 10.038 ( -2.893 7.736 -1.735) 8.439 12.000 ( -1.270 -10.719 5.679) 12.197 12.000 ( -1.270 10.719 5.679) 12.197 12.016 ( -2.812 -13.359 5.333) 14.656 12.016 ( -2.812 13.359 5.333) 14.656 13.253 ( 2.159 -6.592 -3.834) 7.925 13.253 ( 2.159 6.592 -3.834) 7.925 13.295 ( -2.239 -7.498 -2.762) 8.298 13.295 ( -2.239 7.498 -2.762) 8.298 15.393 ( 4.100 -2.457 0.707) 4.832 15.393 ( 4.100 2.457 0.707) 4.832 15.462 ( -3.093 -2.710 0.710) 4.173 15.462 ( -3.093 2.710 0.710) 4.173 29.552 ( 2.163 -3.437 0.669) 4.116 29.552 ( 2.163 3.437 0.669) 4.116 29.595 ( -2.232 -2.357 0.712) 3.323 29.595 ( -2.232 2.357 0.712) 3.323 31.834 ( 1.125 -5.537 -0.408) 5.665 31.834 ( 1.125 5.537 -0.408) 5.665 31.855 ( -1.060 -6.182 -0.201) 6.276 31.855 ( -1.060 6.182 -0.201) 6.276 83.635 ( 3.755 -0.632 1.871) 4.243 83.635 ( 3.755 0.632 1.871) 4.243 83.708 ( -3.735 -0.808 2.151) 4.385 83.708 ( -3.735 0.808 2.151) 4.385 ======================= Grid point 150 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.000 0.000 24.834) 24.834 1.197 ( 0.000 0.000 27.592) 27.592 2.193 ( 0.000 0.000 40.115) 40.115 2.524 ( 0.000 0.000 14.143) 14.143 2.806 ( 0.000 0.000 8.501) 8.501 3.064 ( 0.000 0.000 -4.069) 4.069 3.761 ( 0.000 0.000 -4.498) 4.498 3.789 ( 0.000 0.000 -3.526) 3.526 4.820 ( 0.000 0.000 1.894) 1.894 5.126 ( 0.000 0.000 -2.622) 2.622 5.454 ( 0.000 0.000 21.899) 21.899 6.411 ( 0.000 0.000 3.831) 3.831 7.379 ( 0.000 0.000 11.044) 11.044 7.520 ( 0.000 0.000 0.611) 0.611 7.655 ( 0.000 0.000 -0.877) 0.877 8.337 ( 0.000 0.000 0.378) 0.378 8.431 ( 0.000 0.000 -0.896) 0.896 8.497 ( 0.000 0.000 -7.634) 7.634 8.709 ( 0.000 0.000 -0.131) 0.131 8.907 ( 0.000 0.000 -5.916) 5.916 9.946 ( 0.000 0.000 6.570) 6.570 10.298 ( 0.000 0.000 -6.916) 6.916 10.380 ( 0.000 0.000 -7.583) 7.583 11.567 ( 0.000 0.000 0.925) 0.925 11.638 ( 0.000 0.000 1.030) 1.030 11.664 ( 0.000 0.000 -0.099) 0.099 11.728 ( 0.000 0.000 -18.194) 18.194 11.765 ( 0.000 0.000 -0.309) 0.309 12.255 ( 0.000 0.000 6.477) 6.477 12.887 ( 0.000 0.000 -0.659) 0.659 12.901 ( 0.000 0.000 -9.490) 9.490 14.274 ( 0.000 0.000 -5.137) 5.137 15.565 ( 0.000 0.000 30.472) 30.472 16.683 ( 0.000 0.000 -6.819) 6.819 17.183 ( 0.000 0.000 0.537) 0.537 17.568 ( 0.000 0.000 -2.919) 2.919 28.216 ( 0.000 0.000 4.978) 4.978 28.274 ( 0.000 0.000 3.568) 3.568 28.830 ( 0.000 0.000 -1.842) 1.842 28.931 ( 0.000 0.000 -3.320) 3.320 31.325 ( 0.000 0.000 4.364) 4.364 31.749 ( 0.000 0.000 -0.861) 0.861 32.569 ( 0.000 0.000 -0.657) 0.657 32.637 ( 0.000 0.000 -2.277) 2.277 83.657 ( 0.000 0.000 4.972) 4.972 83.933 ( 0.000 0.000 10.804) 10.804 85.068 ( 0.000 0.000 29.958) 29.958 88.090 ( 0.000 0.000 -11.313) 11.313 ======================= Grid point 151 (50/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 8.746 0.000 19.314) 21.202 1.348 ( 15.155 0.000 23.492) 27.957 2.181 ( -10.356 0.000 14.740) 18.014 2.540 ( -20.265 0.000 7.354) 21.558 2.564 ( 14.216 0.000 34.455) 37.273 3.267 ( 13.505 0.000 -1.987) 13.651 3.756 ( -3.499 0.000 -3.407) 4.884 3.810 ( 0.137 0.000 -0.699) 0.712 4.569 ( -14.382 0.000 8.667) 16.792 5.057 ( -8.725 0.000 1.318) 8.824 5.722 ( 20.604 0.000 10.298) 23.034 6.385 ( -3.027 0.000 3.454) 4.593 7.435 ( 6.096 0.000 11.826) 13.305 7.532 ( 1.185 0.000 0.503) 1.287 7.640 ( -1.518 0.000 -0.686) 1.665 8.203 ( -21.742 0.000 8.872) 23.482 8.348 ( 1.117 0.000 0.205) 1.136 8.424 ( -0.787 0.000 -0.810) 1.129 8.691 ( 5.121 0.000 -8.090) 9.575 9.081 ( 3.105 0.000 -10.321) 10.777 10.024 ( 5.519 0.000 -3.118) 6.339 10.217 ( -3.989 0.000 -8.925) 9.776 10.667 ( 24.311 0.000 -10.181) 26.357 11.571 ( 0.431 0.000 0.924) 1.019 11.621 ( -1.192 0.000 0.864) 1.473 11.679 ( -5.848 0.000 -16.801) 17.790 11.683 ( 1.495 0.000 0.038) 1.495 11.759 ( -0.729 0.000 -0.277) 0.779 12.281 ( 3.057 0.000 3.577) 4.705 12.685 ( -10.092 0.000 -8.751) 13.358 13.184 ( 18.163 0.000 -2.957) 18.402 14.160 ( -11.294 0.000 -4.774) 12.261 15.695 ( 13.169 0.000 31.080) 33.755 16.660 ( -4.566 0.000 2.510) 5.210 17.123 ( -5.409 0.000 0.640) 5.447 17.411 ( -12.726 0.000 -2.065) 12.893 28.220 ( 0.513 0.000 4.864) 4.891 28.268 ( -0.659 0.000 3.729) 3.787 28.841 ( 1.074 0.000 -2.010) 2.279 28.922 ( -0.927 0.000 -3.200) 3.332 31.448 ( 10.679 0.000 -1.520) 10.786 31.746 ( -0.468 0.000 -1.705) 1.768 32.568 ( 0.115 0.000 -0.654) 0.664 32.629 ( -0.878 0.000 -2.179) 2.349 83.657 ( 0.308 0.000 5.785) 5.793 83.868 ( -5.749 0.000 9.716) 11.290 85.266 ( 19.976 0.000 30.660) 36.593 87.522 ( -51.139 0.000 11.806) 52.484 ======================= Grid point 152 (51/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 16.872 0.000 10.500) 19.872 1.707 ( 22.024 0.000 16.383) 27.449 1.859 ( -20.077 0.000 6.644) 21.148 2.132 ( -22.913 0.000 10.728) 25.301 3.013 ( 29.420 0.000 32.011) 43.477 3.494 ( 10.588 0.000 -2.463) 10.871 3.555 ( -25.825 0.000 17.230) 31.045 3.658 ( -7.044 0.000 -3.045) 7.674 4.559 ( 11.429 0.000 4.197) 12.175 4.828 ( -14.851 0.000 2.095) 14.998 6.068 ( 15.365 0.000 4.512) 16.014 6.285 ( -8.119 0.000 3.082) 8.684 7.563 ( 2.046 0.000 0.196) 2.056 7.601 ( 11.389 0.000 12.799) 17.133 7.604 ( -2.246 0.000 -0.249) 2.260 7.853 ( -15.828 0.000 12.667) 20.273 8.374 ( 1.599 0.000 -0.179) 1.609 8.403 ( -1.401 0.000 -0.558) 1.508 8.834 ( 9.362 0.000 -9.199) 13.125 9.010 ( -8.375 0.000 -9.332) 12.539 10.102 ( 3.116 0.000 -8.802) 9.337 10.155 ( -2.865 0.000 -9.712) 10.125 11.136 ( 23.239 0.000 -15.556) 27.965 11.491 ( -14.582 0.000 -15.384) 21.197 11.582 ( 0.799 0.000 0.914) 1.214 11.600 ( -1.070 0.000 0.885) 1.388 11.713 ( 1.557 0.000 -0.061) 1.558 11.739 ( -1.283 0.000 -0.187) 1.297 12.370 ( 6.348 0.000 -3.276) 7.144 12.510 ( -8.570 0.000 -8.533) 12.094 13.546 ( 19.683 0.000 -3.777) 20.042 13.891 ( -16.917 0.000 -4.467) 17.497 16.020 ( 20.711 0.000 31.869) 38.007 16.420 ( -20.188 0.000 25.915) 32.850 17.091 ( 3.402 0.000 -6.713) 7.526 17.210 ( -8.584 0.000 -6.489) 10.761 28.234 ( 0.889 0.000 4.549) 4.635 28.252 ( -0.977 0.000 4.119) 4.233 28.867 ( 1.648 0.000 -2.417) 2.925 28.898 ( -1.560 0.000 -2.868) 3.265 31.630 ( 7.532 0.000 -5.530) 9.344 31.721 ( -2.645 0.000 -3.927) 4.735 32.579 ( 1.096 0.000 -1.066) 1.529 32.605 ( -1.524 0.000 -1.763) 2.330 83.683 ( 2.692 0.000 6.822) 7.334 83.759 ( -5.324 0.000 7.829) 9.467 85.773 ( 34.134 0.000 32.904) 47.411 86.543 ( -48.639 0.000 31.460) 57.926 ======================= Grid point 155 (52/144) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 15.852 20.392) 25.829 1.548 ( 0.000 22.673 25.649) 34.233 2.402 ( 0.000 19.548 19.223) 27.416 2.611 ( 0.000 13.277 22.482) 26.110 3.040 ( 0.000 19.599 11.609) 22.779 3.249 ( 0.000 14.062 -3.911) 14.596 3.833 ( 0.000 11.050 -3.103) 11.477 4.074 ( 0.000 24.311 -4.958) 24.811 4.893 ( 0.000 7.730 0.327) 7.737 5.121 ( 0.000 -0.424 -2.404) 2.441 5.457 ( 0.000 0.975 20.882) 20.905 6.395 ( 0.000 -1.413 3.974) 4.218 7.369 ( 0.000 -0.783 10.045) 10.076 7.635 ( 0.000 -2.021 -0.006) 2.021 7.668 ( 0.000 7.277 1.447) 7.420 8.327 ( 0.000 3.936 -1.083) 4.082 8.412 ( 0.000 -0.504 -4.426) 4.455 8.575 ( 0.000 5.155 -1.084) 5.268 8.749 ( 0.000 4.466 -2.374) 5.058 9.062 ( 0.000 11.078 -9.666) 14.702 9.948 ( 0.000 -0.033 7.150) 7.150 10.255 ( 0.000 -3.592 -7.646) 8.447 10.283 ( 0.000 -7.042 -7.212) 10.080 11.267 ( 0.000 -22.620 -7.067) 23.698 11.644 ( 0.000 7.334 0.570) 7.356 11.723 ( 0.000 8.024 0.278) 8.029 11.762 ( 0.000 -0.196 5.002) 5.006 11.946 ( 0.000 5.346 -1.026) 5.444 12.418 ( 0.000 15.714 -9.304) 18.262 12.864 ( 0.000 -2.185 -0.201) 2.194 13.068 ( 0.000 12.377 -16.126) 20.328 14.191 ( 0.000 -7.876 -5.366) 9.530 15.576 ( 0.000 0.954 28.405) 28.421 16.617 ( 0.000 -6.386 -6.517) 9.124 17.090 ( 0.000 -8.911 0.814) 8.948 17.350 ( 0.000 -18.477 2.917) 18.705 28.281 ( 0.000 6.252 4.725) 7.837 28.449 ( 0.000 14.282 -2.065) 14.431 28.878 ( 0.000 4.562 -1.668) 4.857 28.981 ( 0.000 4.850 -3.155) 5.786 31.335 ( 0.000 0.999 4.161) 4.279 31.733 ( 0.000 -1.502 -0.687) 1.652 32.548 ( 0.000 -2.044 -0.674) 2.152 32.600 ( 0.000 -3.515 -2.082) 4.085 83.653 ( 0.000 -0.437 4.756) 4.776 83.872 ( 0.000 -5.402 10.673) 11.962 84.990 ( 0.000 -7.380 28.605) 29.542 87.237 ( 0.000 -66.849 21.345) 70.174 ======================= Grid point 156 (53/144) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 4.585 13.393 17.113) 22.209 1.663 ( 11.389 20.262 22.957) 32.669 2.278 ( -14.838 10.110 6.438) 19.075 2.730 ( 6.943 18.661 22.329) 29.917 2.807 ( -7.893 22.826 20.684) 31.799 3.458 ( 13.798 14.876 -1.987) 20.387 3.885 ( 2.015 12.087 -2.082) 12.430 4.036 ( -5.097 22.852 -3.517) 23.676 4.639 ( -14.345 7.481 7.299) 17.748 5.071 ( -8.053 1.989 2.287) 8.604 5.710 ( 19.742 -0.738 9.574) 21.954 6.367 ( -3.198 -1.607 3.504) 5.009 7.416 ( 4.921 -1.265 10.722) 11.865 7.635 ( -0.053 -0.547 0.445) 0.707 7.653 ( -1.189 5.829 1.713) 6.191 8.111 ( -17.842 -1.713 6.395) 19.031 8.434 ( 1.619 2.416 -2.759) 4.009 8.517 ( -2.382 10.069 -0.095) 10.347 8.775 ( 4.279 7.360 -5.765) 10.281 9.147 ( 0.976 5.699 -10.282) 11.796 10.033 ( 5.954 0.659 -3.351) 6.864 10.190 ( -2.793 -2.181 -9.396) 10.041 10.492 ( 18.158 -13.359 -6.058) 23.343 11.245 ( -2.792 -22.955 -7.706) 24.374 11.647 ( 0.343 6.719 0.689) 6.763 11.706 ( -1.551 5.855 0.555) 6.082 11.763 ( 0.055 1.795 5.141) 5.446 11.906 ( -3.960 5.074 1.144) 6.537 12.464 ( 4.637 16.207 -11.386) 20.342 12.813 ( -4.848 7.883 -11.117) 14.465 13.204 ( 13.236 2.476 -7.205) 15.272 14.082 ( -10.845 -7.419 -4.977) 14.051 15.699 ( 12.491 0.281 28.774) 31.369 16.600 ( -3.882 -5.819 2.045) 7.287 17.021 ( -5.949 -9.677 1.546) 11.464 17.248 ( -8.403 -14.187 -0.164) 16.489 28.290 ( 0.952 6.599 4.543) 8.068 28.417 ( -2.884 12.658 -0.017) 12.983 28.890 ( 1.183 4.706 -1.910) 5.215 28.972 ( -0.963 4.794 -3.005) 5.739 31.440 ( 9.292 -0.593 -0.261) 9.315 31.728 ( -0.664 -1.662 -1.395) 2.269 32.546 ( 0.015 -2.114 -0.678) 2.221 32.593 ( -0.740 -3.392 -1.957) 3.985 83.652 ( 0.189 -0.531 5.551) 5.579 83.824 ( -4.410 -3.978 9.310) 11.043 85.157 ( 16.918 -10.122 29.553) 35.526 86.879 ( -33.560 -52.340 28.830) 68.534 ======================= Grid point 157 (54/144) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 13.045 7.854 10.056) 18.248 1.812 ( -7.847 5.539 9.015) 13.173 2.082 ( 7.734 21.385 15.130) 27.314 2.408 ( -20.517 20.628 14.044) 32.306 3.198 ( 27.189 19.763 25.901) 42.435 3.647 ( -6.359 12.498 6.764) 15.569 3.757 ( -5.240 20.555 2.606) 21.372 3.886 ( -7.705 20.102 -3.674) 21.839 4.610 ( 9.842 6.246 5.288) 12.800 4.855 ( -13.901 3.649 3.538) 14.801 6.047 ( 15.173 -1.845 4.112) 15.828 6.264 ( -8.271 -1.932 2.952) 8.992 7.537 ( 6.939 -2.500 9.957) 12.391 7.616 ( -1.996 1.799 3.043) 4.060 7.661 ( 2.942 2.252 2.847) 4.672 7.813 ( -12.956 -1.107 9.477) 16.090 8.464 ( 1.487 5.809 -1.032) 6.084 8.489 ( -1.210 8.800 -0.442) 8.893 8.897 ( 8.371 6.125 -7.743) 12.944 9.062 ( -8.254 4.965 -8.473) 12.829 10.109 ( 2.593 0.645 -9.526) 9.893 10.148 ( -1.939 -0.555 -10.226) 10.423 10.864 ( 18.804 -20.195 -9.465) 29.172 11.135 ( -9.849 -22.934 -9.282) 26.629 11.657 ( 0.738 5.080 1.025) 5.235 11.677 ( -1.391 4.550 0.956) 4.853 11.772 ( 1.374 3.819 5.202) 6.598 11.824 ( -4.076 4.971 4.099) 7.623 12.574 ( 6.732 16.247 -14.873) 23.033 12.702 ( -6.719 14.314 -16.115) 22.578 13.504 ( 17.623 -3.945 -4.455) 18.601 13.824 ( -16.089 -6.366 -4.580) 17.898 16.006 ( 19.553 -1.353 28.963) 34.971 16.381 ( -18.696 -3.809 23.322) 30.132 16.989 ( 3.474 -9.592 -6.136) 11.905 17.100 ( -7.337 -10.282 -5.599) 13.816 28.317 ( 1.909 7.719 3.927) 8.868 28.361 ( -2.815 9.808 2.573) 10.523 28.917 ( 1.653 4.798 -2.306) 5.574 28.948 ( -1.543 4.770 -2.692) 5.690 31.605 ( 7.279 -2.074 -3.958) 8.541 31.698 ( -2.913 -2.044 -3.130) 4.740 32.554 ( 0.803 -2.458 -0.978) 2.765 32.574 ( -1.230 -2.997 -1.548) 3.591 83.673 ( 2.291 -0.929 6.471) 6.928 83.737 ( -4.402 -2.010 7.348) 8.798 85.582 ( 28.133 -17.265 32.401) 46.254 86.190 ( -36.576 -30.583 34.394) 58.788 ======================= Grid point 160 (55/144) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 24.142 13.093) 27.464 1.915 ( 0.000 15.398 23.859) 28.396 2.654 ( 0.000 9.686 4.428) 10.650 3.305 ( 0.000 36.115 13.662) 38.612 3.456 ( 0.000 5.654 -5.035) 7.571 3.506 ( 0.000 31.422 20.454) 37.493 4.238 ( 0.000 24.284 2.783) 24.443 4.677 ( 0.000 30.687 -8.409) 31.818 5.123 ( 0.000 2.182 0.744) 2.306 5.170 ( 0.000 19.769 -3.010) 19.997 5.558 ( 0.000 11.653 13.946) 18.174 6.356 ( 0.000 -2.395 4.625) 5.208 7.352 ( 0.000 -0.750 6.947) 6.987 7.573 ( 0.000 -3.969 1.425) 4.217 7.673 ( 0.000 -4.172 10.178) 11.000 8.401 ( 0.000 -1.195 -2.304) 2.596 8.540 ( 0.000 13.093 -8.224) 15.461 8.676 ( 0.000 5.195 -1.076) 5.305 8.898 ( 0.000 9.322 -2.513) 9.655 9.241 ( 0.000 5.875 -6.039) 8.425 9.932 ( 0.000 -1.623 7.416) 7.592 10.180 ( 0.000 -2.502 -10.922) 11.205 10.186 ( 0.000 -2.532 -8.695) 9.056 10.817 ( 0.000 -20.541 -2.842) 20.736 11.754 ( 0.000 -0.625 11.126) 11.143 11.851 ( 0.000 12.503 0.073) 12.503 11.942 ( 0.000 12.771 -0.966) 12.808 11.986 ( 0.000 0.257 3.872) 3.881 12.782 ( 0.000 17.432 -21.754) 27.877 12.802 ( 0.000 -3.830 0.941) 3.944 13.274 ( 0.000 6.482 -20.422) 21.426 13.968 ( 0.000 -13.510 -5.959) 14.766 15.597 ( 0.000 0.927 22.841) 22.859 16.430 ( 0.000 -11.645 -5.680) 12.957 16.836 ( 0.000 -15.389 1.408) 15.453 16.932 ( 0.000 -20.744 6.462) 21.727 28.458 ( 0.000 10.620 4.087) 11.380 28.752 ( 0.000 14.230 -5.288) 15.181 29.009 ( 0.000 8.013 -1.151) 8.095 29.119 ( 0.000 8.291 -2.565) 8.678 31.367 ( 0.000 2.123 3.585) 4.167 31.695 ( 0.000 -2.039 -0.347) 2.069 32.487 ( 0.000 -3.807 -0.725) 3.876 32.500 ( 0.000 -6.139 -1.648) 6.356 83.640 ( 0.000 -0.806 4.164) 4.241 83.744 ( 0.000 -6.347 9.393) 11.336 84.788 ( 0.000 -11.842 24.897) 27.569 85.941 ( 0.000 -54.435 38.341) 66.583 ======================= Grid point 161 (56/144) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.184 21.596 11.864) 24.641 2.012 ( 7.608 15.748 19.413) 26.130 2.508 ( -11.574 11.811 7.189) 18.032 3.140 ( -16.227 15.770 12.312) 25.761 3.528 ( 12.390 45.336 19.101) 50.732 3.700 ( 13.677 9.071 -1.504) 16.480 4.289 ( 2.436 22.396 -0.794) 22.542 4.627 ( -7.317 33.034 -5.810) 34.330 4.876 ( -10.326 13.512 4.532) 17.600 5.216 ( -4.373 15.673 4.526) 16.889 5.734 ( 15.397 5.133 5.483) 17.131 6.324 ( -3.495 -2.395 3.787) 5.682 7.389 ( 3.730 -1.323 7.612) 8.579 7.591 ( 1.624 -4.456 2.513) 5.367 7.656 ( -1.377 -2.510 8.925) 9.373 8.181 ( -19.245 4.922 0.467) 19.870 8.492 ( 3.031 3.506 -2.997) 5.519 8.750 ( -0.843 12.172 -2.193) 12.397 8.951 ( 5.681 9.074 -3.848) 11.376 9.268 ( -0.102 5.328 -7.009) 8.805 10.021 ( 7.436 -2.980 0.307) 8.017 10.151 ( -1.108 -1.116 -11.218) 11.328 10.262 ( 7.395 -7.182 -6.699) 12.294 10.793 ( -2.875 -20.281 -3.181) 20.729 11.723 ( -2.319 -0.059 9.227) 9.514 11.844 ( -3.187 7.841 2.144) 8.732 11.906 ( -0.294 8.946 2.497) 9.293 11.994 ( -0.390 7.816 2.127) 8.109 12.812 ( 3.662 14.142 -19.551) 24.406 12.886 ( 6.574 1.087 -6.479) 9.294 13.281 ( 1.767 3.721 -17.344) 17.826 13.871 ( -9.710 -12.832 -5.504) 17.007 15.701 ( 10.614 -0.207 22.723) 25.081 16.429 ( -1.883 -10.679 0.549) 10.857 16.751 ( -6.324 -15.843 3.244) 17.364 16.907 ( -3.079 -18.130 0.575) 18.398 28.474 ( 1.771 10.960 3.799) 11.735 28.702 ( -4.720 14.021 -2.913) 15.078 29.024 ( 1.394 8.153 -1.537) 8.413 29.108 ( -1.072 8.218 -2.367) 8.619 31.436 ( 6.487 0.488 1.319) 6.637 31.687 ( -0.987 -2.162 -0.764) 2.497 32.484 ( -0.272 -4.054 -0.790) 4.139 32.497 ( -0.312 -5.789 -1.448) 5.976 83.636 ( -0.065 -0.948 4.978) 5.068 83.728 ( -1.705 -4.855 7.737) 9.292 84.890 ( 10.497 -15.033 26.080) 31.880 85.804 ( -13.593 -47.679 37.145) 61.951 ======================= Grid point 162 (57/144) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 7.441 17.869 7.332) 20.698 2.011 ( -9.759 13.920 5.059) 17.737 2.479 ( 11.799 16.337 20.837) 28.988 2.795 ( -19.334 15.694 18.636) 31.103 3.827 ( 16.929 38.194 13.068) 43.774 3.940 ( 9.089 12.088 -1.162) 15.168 4.249 ( -4.772 21.064 -4.212) 22.005 4.366 ( -15.987 29.106 1.441) 33.239 4.889 ( 8.117 21.196 6.437) 23.593 5.070 ( -9.914 19.990 6.662) 23.287 6.016 ( 13.509 -0.009 1.866) 13.638 6.218 ( -8.123 -1.968 2.240) 8.653 7.478 ( 5.415 -3.130 8.768) 10.771 7.571 ( -4.018 -5.454 8.761) 11.075 7.693 ( 6.031 1.873 2.795) 6.906 7.869 ( -13.163 4.331 2.729) 14.124 8.580 ( 5.750 5.215 -0.982) 7.825 8.685 ( -5.055 9.263 -0.500) 10.564 9.070 ( 6.866 10.180 -5.381) 13.407 9.199 ( -6.318 8.024 -6.230) 11.963 10.112 ( 2.294 -1.491 -9.015) 9.421 10.136 ( -0.737 -0.546 -11.388) 11.425 10.478 ( 13.603 -15.507 -4.094) 21.030 10.692 ( -8.483 -19.085 -3.906) 21.248 11.702 ( 0.687 0.107 7.875) 7.905 11.755 ( -4.648 1.709 6.035) 7.807 11.932 ( 2.023 11.268 2.477) 11.713 11.970 ( -1.872 10.838 2.250) 11.227 12.896 ( 4.675 13.365 -20.843) 25.197 12.955 ( -0.478 9.039 -17.329) 19.550 13.396 ( 11.048 -6.027 -7.909) 14.864 13.642 ( -13.840 -11.056 -5.092) 18.431 15.962 ( 16.379 -3.082 21.853) 27.483 16.268 ( -14.843 -7.104 17.046) 23.693 16.725 ( 3.627 -15.525 -4.788) 16.646 16.822 ( -5.599 -16.164 -3.966) 17.560 28.524 ( 3.560 11.912 2.789) 12.741 28.605 ( -5.068 13.156 0.617) 14.112 29.054 ( 1.641 8.205 -1.874) 8.575 29.083 ( -1.525 8.165 -2.104) 8.568 31.563 ( 6.192 -1.670 -1.360) 6.556 31.651 ( -3.141 -2.306 -1.585) 4.207 32.482 ( 0.147 -4.513 -0.890) 4.602 32.489 ( -0.511 -5.175 -1.136) 5.323 83.648 ( 1.452 -1.366 5.544) 5.892 83.687 ( -2.426 -2.626 5.973) 6.961 85.152 ( 16.856 -22.964 29.262) 40.837 85.490 ( -18.637 -34.447 33.592) 51.598 ======================= Grid point 165 (58/144) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 16.642 14.330) 21.961 2.303 ( 0.000 27.081 7.818) 28.187 2.884 ( 0.000 12.999 3.304) 13.413 3.533 ( 0.000 2.793 -6.280) 6.874 3.652 ( 0.000 8.101 12.121) 14.579 4.445 ( 0.000 47.593 12.640) 49.243 4.589 ( 0.000 8.327 6.794) 10.747 4.944 ( 0.000 -3.195 3.528) 4.759 5.530 ( 0.000 35.545 -7.729) 36.375 5.649 ( 0.000 23.933 -2.978) 24.118 5.998 ( 0.000 29.091 2.695) 29.216 6.317 ( 0.000 0.109 5.033) 5.034 7.341 ( 0.000 -0.288 2.739) 2.754 7.486 ( 0.000 -4.033 2.986) 5.018 7.609 ( 0.000 -0.288 11.016) 11.020 8.352 ( 0.000 -3.533 0.748) 3.612 8.736 ( 0.000 4.936 -8.400) 9.743 8.800 ( 0.000 6.978 -4.837) 8.490 9.095 ( 0.000 9.569 -0.827) 9.605 9.355 ( 0.000 7.135 -0.716) 7.171 9.893 ( 0.000 -1.760 4.138) 4.497 10.135 ( 0.000 -4.205 -11.823) 12.548 10.151 ( 0.000 -1.453 -6.633) 6.790 10.467 ( 0.000 -12.327 -0.651) 12.344 11.735 ( 0.000 -1.237 14.352) 14.406 11.993 ( 0.000 0.847 4.240) 4.323 12.131 ( 0.000 14.225 0.562) 14.236 12.219 ( 0.000 13.859 -1.376) 13.928 12.717 ( 0.000 -4.108 2.000) 4.569 13.081 ( 0.000 11.460 -21.499) 24.363 13.333 ( 0.000 0.100 -19.255) 19.255 13.662 ( 0.000 -15.960 -6.632) 17.283 15.601 ( 0.000 -0.834 15.749) 15.771 16.156 ( 0.000 -14.780 -4.449) 15.435 16.486 ( 0.000 -18.281 1.918) 18.381 16.535 ( 0.000 -18.018 4.503) 18.572 28.698 ( 0.000 12.590 3.306) 13.017 29.019 ( 0.000 12.005 -4.175) 12.710 29.192 ( 0.000 9.522 -0.379) 9.530 29.301 ( 0.000 9.005 -1.396) 9.113 31.423 ( 0.000 3.399 2.740) 4.366 31.658 ( 0.000 -1.406 -0.139) 1.413 32.358 ( 0.000 -7.519 -1.246) 7.622 32.395 ( 0.000 -5.150 -0.773) 5.208 83.621 ( 0.000 -1.027 3.349) 3.503 83.636 ( 0.000 -3.951 6.704) 7.782 84.531 ( 0.000 -12.749 19.761) 23.517 85.042 ( 0.000 -34.878 30.312) 46.209 ======================= Grid point 166 (59/144) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -0.839 21.395 8.400) 23.000 2.376 ( 4.923 21.096 9.732) 23.748 2.777 ( -7.757 14.693 6.473) 17.831 3.367 ( -14.606 7.671 10.358) 19.480 3.803 ( 12.925 3.470 -1.401) 13.456 4.468 ( -1.000 29.616 5.769) 30.190 4.616 ( 4.218 21.179 4.536) 22.066 5.031 ( 9.026 1.932 10.732) 14.156 5.383 ( -10.915 37.782 -5.536) 39.714 5.681 ( -1.650 23.416 1.060) 23.498 6.034 ( 4.458 24.400 -0.826) 24.818 6.304 ( -1.529 2.966 2.806) 4.360 7.363 ( 2.229 -1.264 3.393) 4.252 7.483 ( -0.428 -4.382 4.734) 6.465 7.632 ( 2.706 0.462 8.015) 8.472 8.226 ( -14.594 -0.440 0.302) 14.604 8.580 ( 0.220 4.865 -2.494) 5.471 8.986 ( -2.136 10.474 -2.791) 11.048 9.108 ( 8.694 5.515 -4.927) 11.413 9.383 ( 1.592 7.183 -2.728) 7.846 9.934 ( 4.068 -3.911 3.569) 6.677 10.122 ( -0.958 -3.777 -11.255) 11.910 10.180 ( 3.151 -2.337 -7.414) 8.388 10.458 ( -1.270 -11.276 -1.273) 11.418 11.710 ( -1.967 -0.902 13.173) 13.349 11.903 ( -7.537 1.071 5.879) 9.619 12.158 ( 2.134 14.172 0.334) 14.336 12.237 ( 0.814 13.536 -0.299) 13.563 12.802 ( 8.638 -4.813 0.223) 9.891 13.102 ( 1.834 10.324 -20.893) 23.376 13.319 ( -1.299 0.123 -19.139) 19.183 13.579 ( -8.260 -15.229 -6.202) 18.402 15.681 ( 8.085 -2.080 15.328) 17.454 16.174 ( 0.803 -13.992 -1.417) 14.086 16.412 ( -5.491 -16.751 3.555) 17.983 16.530 ( -1.746 -18.445 0.552) 18.536 28.720 ( 2.282 12.726 2.991) 13.270 28.972 ( -4.464 12.442 -2.597) 13.471 29.208 ( 1.419 9.446 -0.800) 9.585 29.289 ( -1.107 9.046 -1.253) 9.199 31.464 ( 3.953 2.234 1.701) 4.849 31.649 ( -1.036 -1.358 -0.303) 1.734 32.360 ( 0.179 -7.232 -1.158) 7.326 32.390 ( -0.551 -5.324 -0.753) 5.406 83.613 ( -0.153 -1.309 4.558) 4.744 83.645 ( 0.292 -2.913 4.818) 5.638 84.578 ( 4.838 -14.975 20.739) 26.034 84.990 ( -5.359 -32.565 29.125) 44.016 ======================= Grid point 167 (60/144) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 4.200 21.836 4.084) 22.608 2.360 ( -6.895 19.819 2.073) 21.086 2.788 ( 10.403 14.908 17.317) 25.107 3.061 ( -16.889 11.297 16.576) 26.223 4.071 ( 14.911 2.378 -3.999) 15.620 4.329 ( -12.002 5.444 -3.477) 13.630 4.797 ( 13.414 37.938 6.603) 40.778 5.055 ( -11.934 29.003 6.239) 31.977 5.343 ( 10.906 22.123 5.852) 25.350 5.561 ( -10.209 20.995 6.824) 24.323 6.147 ( 6.610 15.946 -3.444) 17.602 6.252 ( -4.261 8.876 -1.264) 9.927 7.415 ( 2.960 -2.982 4.946) 6.489 7.462 ( -1.908 -4.240 6.098) 7.668 7.727 ( 7.964 1.527 3.823) 8.965 7.935 ( -14.248 1.927 1.625) 14.469 8.681 ( 8.471 5.075 -0.175) 9.877 8.853 ( -9.150 7.510 0.134) 11.839 9.275 ( 7.196 8.815 -5.917) 12.826 9.372 ( -3.062 8.651 -4.772) 10.343 10.019 ( 4.435 -6.620 -2.359) 8.310 10.088 ( -2.865 -5.367 -8.225) 10.230 10.283 ( 7.256 -4.235 -5.961) 10.302 10.404 ( -4.846 -8.274 -3.139) 10.089 11.695 ( 1.140 -0.445 11.136) 11.203 11.766 ( -6.229 0.225 8.692) 10.696 12.200 ( 2.125 14.123 0.625) 14.295 12.232 ( -1.206 13.835 0.556) 13.898 12.999 ( 10.850 -3.197 -5.347) 12.511 13.121 ( -1.207 6.422 -17.118) 18.322 13.302 ( 0.512 -2.221 -16.784) 16.938 13.396 ( -9.542 -12.020 -7.554) 17.105 15.877 ( 12.172 -5.293 13.961) 19.264 16.096 ( -9.844 -9.673 10.052) 17.074 16.384 ( 3.173 -17.249 -3.005) 17.794 16.467 ( -4.564 -17.973 -2.496) 18.711 28.782 ( 4.305 12.990 1.947) 13.823 28.875 ( -5.459 12.987 -0.005) 14.087 29.236 ( 1.548 9.289 -1.050) 9.476 29.265 ( -1.470 9.140 -1.117) 9.325 31.547 ( 4.424 0.214 0.101) 4.430 31.615 ( -2.708 -0.990 -0.480) 2.923 32.366 ( 0.477 -6.545 -0.948) 6.631 32.377 ( -0.710 -5.824 -0.779) 5.919 83.621 ( 0.894 -1.199 4.322) 4.573 83.639 ( -0.843 -1.837 4.075) 4.549 84.701 ( 8.020 -20.435 23.159) 31.910 84.858 ( -8.301 -26.963 26.279) 38.555 ======================= Grid point 170 (61/144) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 17.354 4.316) 17.883 2.860 ( 0.000 27.027 4.712) 27.435 3.179 ( 0.000 15.509 2.164) 15.660 3.586 ( 0.000 2.590 -7.704) 8.128 3.755 ( 0.000 3.122 8.638) 9.185 4.642 ( 0.000 -1.499 2.679) 3.070 4.800 ( 0.000 -9.767 7.750) 12.468 5.212 ( 0.000 21.731 5.466) 22.408 6.022 ( 0.000 15.605 4.012) 16.112 6.258 ( 0.000 32.846 -7.932) 33.790 6.455 ( 0.000 12.340 2.824) 12.660 6.565 ( 0.000 22.402 -3.182) 22.627 7.368 ( 0.000 4.253 -1.531) 4.520 7.448 ( 0.000 1.838 5.452) 5.754 7.697 ( 0.000 8.691 5.701) 10.394 8.270 ( 0.000 -4.018 2.017) 4.496 8.767 ( 0.000 -0.243 -4.769) 4.775 8.955 ( 0.000 8.037 -8.083) 11.398 9.289 ( 0.000 9.737 -1.807) 9.904 9.546 ( 0.000 10.752 -1.245) 10.824 9.867 ( 0.000 -0.897 0.856) 1.239 9.965 ( 0.000 -10.515 -3.504) 11.084 10.108 ( 0.000 -2.999 -3.516) 4.622 10.330 ( 0.000 -3.320 -5.625) 6.531 11.714 ( 0.000 -0.268 14.200) 14.202 12.028 ( 0.000 2.613 5.842) 6.400 12.370 ( 0.000 6.963 4.599) 8.345 12.505 ( 0.000 14.182 -0.873) 14.209 12.663 ( 0.000 0.107 0.563) 0.573 13.225 ( 0.000 1.483 -16.211) 16.279 13.331 ( 0.000 1.721 -17.007) 17.094 13.338 ( 0.000 -15.214 -7.103) 16.790 15.555 ( 0.000 -3.730 9.422) 10.134 15.847 ( 0.000 -15.009 -3.012) 15.308 16.114 ( 0.000 -17.601 2.153) 17.733 16.197 ( 0.000 -15.190 2.285) 15.361 28.958 ( 0.000 12.575 2.587) 12.838 29.245 ( 0.000 10.181 -2.592) 10.506 29.383 ( 0.000 8.848 0.411) 8.857 29.470 ( 0.000 7.191 -0.023) 7.191 31.506 ( 0.000 4.697 1.785) 5.025 31.643 ( 0.000 -0.000 -0.189) 0.189 32.200 ( 0.000 -7.787 -1.005) 7.851 32.280 ( 0.000 -6.041 -0.767) 6.090 83.585 ( 0.000 -1.158 4.056) 4.219 83.600 ( 0.000 -0.981 2.530) 2.714 84.284 ( 0.000 -11.252 14.307) 18.202 84.466 ( 0.000 -22.502 19.505) 29.779 ======================= Grid point 171 (62/144) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 2.541 18.460 2.848) 18.850 2.868 ( 0.267 25.755 4.434) 26.135 3.102 ( -5.570 16.838 3.642) 18.106 3.492 ( -9.735 5.174 5.032) 12.119 3.850 ( 10.017 1.538 -1.781) 10.290 4.559 ( -8.965 -2.376 -3.489) 9.909 4.932 ( 13.070 -8.406 12.987) 20.252 5.270 ( 4.921 17.443 5.615) 18.974 5.989 ( -3.323 17.613 3.407) 18.245 6.141 ( -9.616 29.093 -2.752) 30.764 6.512 ( 4.170 19.480 -2.628) 20.094 6.600 ( 2.684 21.440 -2.319) 21.732 7.352 ( -0.463 1.610 1.237) 2.082 7.463 ( 0.149 3.164 2.268) 3.896 7.696 ( 1.017 6.106 5.469) 8.260 8.190 ( -9.887 -2.305 0.915) 10.193 8.681 ( 0.644 5.120 -2.527) 5.746 9.164 ( 9.997 5.614 -7.703) 13.813 9.213 ( -3.734 7.880 -2.524) 9.078 9.567 ( 0.889 9.901 -2.426) 10.233 9.874 ( 0.875 -3.022 1.312) 3.409 9.979 ( 0.650 -7.318 -2.172) 7.661 10.133 ( 3.142 -2.958 -5.182) 6.744 10.331 ( -0.118 -3.308 -5.619) 6.521 11.698 ( -1.270 0.134 13.549) 13.609 11.937 ( -8.097 2.462 7.210) 11.117 12.417 ( 3.489 8.871 3.221) 10.062 12.511 ( 0.266 13.061 0.405) 13.070 12.712 ( 5.625 -2.416 -0.090) 6.123 13.224 ( -1.921 -1.469 -12.549) 12.780 13.277 ( -4.395 -11.132 -9.992) 15.590 13.322 ( -0.978 1.303 -16.895) 16.973 15.610 ( 5.600 -4.844 8.994) 11.650 15.876 ( 2.514 -14.695 -2.035) 15.047 16.076 ( -3.513 -16.113 2.749) 16.719 16.176 ( -2.274 -15.727 0.902) 15.916 28.980 ( 2.348 12.534 2.326) 12.963 29.209 ( -3.528 10.777 -1.610) 11.454 29.395 ( 1.073 8.514 0.084) 8.582 29.460 ( -0.914 7.339 0.004) 7.396 31.527 ( 2.092 3.909 1.305) 4.621 31.636 ( -0.716 0.201 -0.209) 0.772 32.207 ( 0.699 -7.579 -0.951) 7.671 32.272 ( -0.880 -6.166 -0.758) 6.274 83.590 ( 0.574 -0.640 3.590) 3.692 83.608 ( 0.627 -1.083 2.559) 2.849 84.295 ( 1.256 -12.523 14.901) 19.505 84.444 ( -2.259 -21.625 19.020) 28.888 ======================= Grid point 172 (63/144) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 5.346 21.363 0.721) 22.034 2.806 ( -6.783 23.393 0.317) 24.358 3.102 ( 6.445 15.885 10.382) 20.041 3.282 ( -11.538 10.662 10.448) 18.867 4.082 ( 13.938 -0.773 -4.961) 14.815 4.343 ( -13.457 -2.022 -5.082) 14.526 5.195 ( 12.792 -6.608 12.359) 18.975 5.329 ( -0.702 4.479 8.188) 9.359 5.926 ( -1.971 24.959 2.159) 25.129 5.972 ( -6.957 31.228 -0.596) 31.999 6.586 ( 3.467 21.944 -3.767) 22.533 6.625 ( -0.413 22.057 -3.060) 22.272 7.372 ( 2.561 -0.075 2.153) 3.347 7.431 ( -3.114 1.609 1.737) 3.912 7.770 ( 7.152 3.189 3.379) 8.529 7.958 ( -12.568 0.894 1.294) 12.666 8.805 ( 10.446 7.407 -1.092) 12.852 9.016 ( -11.303 8.981 -1.275) 14.493 9.406 ( 9.954 4.324 -8.014) 13.491 9.540 ( -4.261 7.122 -5.449) 9.928 9.909 ( 2.803 -3.768 1.074) 4.817 9.962 ( -2.360 -4.564 -0.215) 5.143 10.225 ( 5.708 -2.837 -6.270) 8.941 10.309 ( -2.775 -3.113 -5.866) 7.197 11.697 ( 1.949 0.966 11.967) 12.163 11.784 ( -7.184 1.839 9.673) 12.189 12.471 ( 2.298 11.120 1.877) 11.509 12.503 ( -1.118 11.906 1.457) 12.047 12.868 ( 10.495 -7.079 -1.409) 12.738 13.075 ( -10.946 -10.303 -3.666) 15.473 13.272 ( 1.336 0.066 -16.739) 16.792 13.299 ( -1.449 1.021 -16.898) 16.991 15.744 ( 8.088 -7.715 7.739) 13.595 15.876 ( -4.547 -11.690 4.316) 13.264 16.044 ( 2.004 -15.654 -0.751) 15.800 16.114 ( -4.159 -16.042 -1.051) 16.605 29.042 ( 4.174 12.316 1.497) 13.090 29.128 ( -4.804 11.722 0.084) 12.669 29.417 ( 1.227 8.038 -0.094) 8.132 29.440 ( -1.210 7.655 -0.036) 7.750 31.573 ( 2.555 2.277 0.423) 3.449 31.614 ( -1.724 0.915 -0.106) 1.955 32.225 ( 1.227 -7.074 -0.838) 7.229 32.250 ( -1.339 -6.534 -0.764) 6.713 83.604 ( 0.828 -0.312 2.924) 3.055 83.614 ( -0.098 -0.665 2.529) 2.616 84.332 ( 2.688 -15.693 16.288) 22.777 84.390 ( -3.297 -19.164 17.803) 26.365 ======================= Grid point 175 (64/144) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.000 17.389 -2.594) 17.582 3.374 ( 0.000 20.904 1.878) 20.988 3.487 ( 0.000 13.431 1.178) 13.483 3.661 ( 0.000 6.906 -7.663) 10.316 3.820 ( 0.000 4.485 2.865) 5.322 4.526 ( 0.000 -12.402 -8.277) 14.910 4.593 ( 0.000 -7.365 13.036) 14.972 5.269 ( 0.000 -10.510 3.604) 11.111 6.411 ( 0.000 17.126 1.820) 17.223 6.683 ( 0.000 10.723 6.537) 12.559 6.779 ( 0.000 13.142 -3.617) 13.631 6.841 ( 0.000 9.659 -4.593) 10.695 7.536 ( 0.000 11.017 -6.959) 13.031 7.595 ( 0.000 11.142 4.167) 11.896 7.926 ( 0.000 12.242 1.625) 12.350 8.208 ( 0.000 -1.784 1.859) 2.577 8.786 ( 0.000 3.263 -3.281) 4.627 9.121 ( 0.000 7.774 -11.311) 13.725 9.498 ( 0.000 10.511 -5.133) 11.698 9.748 ( 0.000 5.289 -0.677) 5.332 9.787 ( 0.000 -3.309 -2.440) 4.112 9.848 ( 0.000 -1.047 -0.196) 1.065 10.025 ( 0.000 -5.019 -0.562) 5.051 10.259 ( 0.000 -4.337 -6.136) 7.514 11.752 ( 0.000 4.694 12.035) 12.918 12.095 ( 0.000 3.812 8.193) 9.036 12.399 ( 0.000 -2.203 8.165) 8.457 12.662 ( 0.000 -0.747 4.069) 4.137 12.821 ( 0.000 13.135 -3.785) 13.669 13.083 ( 0.000 -7.685 -7.316) 10.611 13.192 ( 0.000 -2.776 -12.987) 13.281 13.379 ( 0.000 1.463 -11.810) 11.900 15.457 ( 0.000 -5.460 4.994) 7.399 15.566 ( 0.000 -11.982 -1.615) 12.091 15.790 ( 0.000 -13.664 2.105) 13.825 15.910 ( 0.000 -12.934 1.531) 13.024 29.201 ( 0.000 11.009 2.037) 11.196 29.429 ( 0.000 7.581 -1.322) 7.696 29.541 ( 0.000 6.415 0.964) 6.487 29.585 ( 0.000 4.059 1.042) 4.190 31.613 ( 0.000 5.779 0.890) 5.847 31.660 ( 0.000 1.673 -0.415) 1.724 32.046 ( 0.000 -7.240 -0.889) 7.294 32.151 ( 0.000 -6.547 -0.677) 6.582 83.582 ( 0.000 0.664 2.585) 2.669 83.584 ( 0.000 -0.504 1.990) 2.053 84.079 ( 0.000 -8.715 9.403) 12.820 84.099 ( 0.000 -13.804 11.136) 17.736 ======================= Grid point 176 (65/144) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 4.564 18.176 -2.574) 18.916 3.379 ( 0.260 22.208 2.960) 22.405 3.444 ( -4.556 16.233 0.077) 16.861 3.600 ( -5.082 6.833 -0.708) 8.545 3.880 ( 6.349 1.928 -2.992) 7.279 4.463 ( -7.810 -7.125 -6.796) 12.568 4.700 ( 11.592 -13.185 11.106) 20.774 5.258 ( -1.932 -12.374 4.743) 13.392 6.406 ( -0.151 17.878 1.125) 17.914 6.600 ( -5.950 16.102 1.904) 17.271 6.831 ( 3.798 7.382 -1.909) 8.519 6.903 ( 4.801 11.193 -2.564) 12.446 7.479 ( -3.402 10.225 -1.916) 10.945 7.620 ( -0.372 11.073 0.126) 11.080 7.859 ( -4.028 8.637 1.709) 9.682 8.159 ( -6.809 -0.485 0.910) 6.887 8.808 ( 5.625 8.004 -3.624) 10.433 9.264 ( 11.568 5.000 -10.517) 16.414 9.418 ( -7.761 11.003 -5.047) 14.380 9.733 ( -3.688 3.043 -5.080) 6.977 9.794 ( 3.810 -0.500 1.500) 4.125 9.908 ( 3.444 -0.766 1.068) 3.686 10.050 ( 3.257 -5.067 -2.452) 6.504 10.259 ( -0.259 -4.403 -6.020) 7.463 11.741 ( -0.699 4.804 11.960) 12.908 12.005 ( -8.051 4.228 9.012) 12.803 12.451 ( 4.457 -3.781 7.633) 9.613 12.652 ( -1.148 -1.561 4.240) 4.662 12.831 ( 1.083 11.971 -3.965) 12.657 13.035 ( -4.594 -5.471 -6.633) 9.749 13.213 ( 2.072 -2.278 -12.814) 13.179 13.363 ( -1.751 1.113 -11.783) 11.964 15.491 ( 3.439 -6.428 4.548) 8.593 15.601 ( 3.251 -11.647 -1.199) 12.151 15.771 ( -1.790 -13.149 2.140) 13.441 15.888 ( -2.383 -12.735 1.196) 13.011 29.221 ( 2.122 10.867 1.864) 11.228 29.407 ( -2.345 8.361 -0.743) 8.716 29.543 ( 0.284 5.745 0.807) 5.808 29.580 ( -0.564 4.286 0.952) 4.427 31.621 ( 0.770 5.239 0.666) 5.337 31.658 ( -0.172 1.941 -0.373) 1.984 32.056 ( 1.011 -7.152 -0.856) 7.274 32.141 ( -1.073 -6.592 -0.687) 6.714 83.592 ( 0.996 0.573 2.393) 2.654 83.595 ( 1.044 0.078 1.864) 2.138 84.070 ( -0.773 -9.465 9.743) 13.606 84.088 ( -1.132 -13.595 11.017) 17.535 ======================= Grid point 177 (66/144) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 8.540 20.228 -2.310) 22.078 3.283 ( -9.238 22.233 -1.566) 24.127 3.432 ( 2.791 16.335 4.612) 17.201 3.504 ( -4.790 11.534 3.792) 13.052 4.049 ( 11.232 -2.308 -5.901) 12.896 4.271 ( -11.864 -4.816 -6.134) 14.198 4.952 ( 13.740 -15.564 9.182) 22.701 5.166 ( -8.406 -15.221 7.221) 18.828 6.424 ( 2.400 19.334 -0.219) 19.484 6.496 ( -5.018 19.072 -0.356) 19.724 6.910 ( 4.265 7.769 -1.905) 9.065 6.958 ( 0.122 9.714 -1.933) 9.905 7.458 ( 2.002 8.924 0.240) 9.149 7.546 ( -6.123 9.654 0.600) 11.448 7.862 ( 4.205 5.174 0.602) 6.694 7.991 ( -9.137 2.352 0.412) 9.444 8.992 ( 12.442 10.918 -3.993) 17.028 9.227 ( -11.926 11.486 -4.662) 17.201 9.479 ( 10.355 3.262 -9.477) 14.411 9.639 ( -6.695 2.755 -7.465) 10.399 9.873 ( 4.031 0.382 2.027) 4.528 9.927 ( -1.330 0.067 2.193) 2.566 10.147 ( 5.951 -4.816 -4.642) 8.953 10.233 ( -2.894 -4.587 -5.521) 7.739 11.753 ( 2.608 4.945 11.573) 12.852 11.850 ( -7.538 4.774 10.486) 13.769 12.539 ( 4.697 -5.756 6.419) 9.818 12.614 ( -3.079 -4.176 5.038) 7.232 12.865 ( 2.761 8.098 -4.477) 9.656 12.938 ( -5.041 0.944 -5.405) 7.451 13.262 ( 2.998 -1.071 -12.294) 12.700 13.318 ( -2.860 0.183 -11.883) 12.223 15.572 ( 4.813 -8.509 3.511) 10.388 15.640 ( -1.044 -10.562 1.326) 10.696 15.756 ( 1.892 -12.369 0.856) 12.542 15.825 ( -4.137 -12.375 0.473) 13.057 29.276 ( 3.596 10.407 1.320) 11.090 29.347 ( -3.778 9.565 0.385) 10.291 29.552 ( 0.672 4.971 0.667) 5.061 29.566 ( -0.798 4.623 0.764) 4.753 31.638 ( 0.913 3.996 0.195) 4.104 31.652 ( -0.547 2.750 -0.192) 2.811 32.081 ( 1.672 -6.945 -0.785) 7.186 32.114 ( -1.710 -6.731 -0.721) 6.982 83.611 ( 0.751 0.877 1.965) 2.279 83.613 ( 0.603 0.737 1.693) 1.942 84.058 ( -0.279 -11.259 10.403) 15.332 84.065 ( -0.991 -12.843 10.799) 16.808 ======================= Grid point 180 (67/144) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.000 16.025 -5.564) 16.964 3.564 ( 0.000 1.410 -5.925) 6.091 3.680 ( 0.000 6.375 -1.505) 6.551 3.986 ( 0.000 11.277 -1.416) 11.365 3.999 ( 0.000 21.034 -0.995) 21.058 4.212 ( 0.000 -15.840 -5.757) 16.854 4.449 ( 0.000 -7.420 4.785) 8.829 4.949 ( 0.000 -19.191 3.293) 19.471 6.609 ( 0.000 5.266 1.228) 5.408 6.799 ( 0.000 -3.363 -0.520) 3.403 6.928 ( 0.000 10.718 4.321) 11.556 7.047 ( 0.000 5.261 -0.703) 5.308 7.749 ( 0.000 8.725 -8.107) 11.910 7.805 ( 0.000 7.593 -2.080) 7.872 8.129 ( 0.000 6.537 1.427) 6.691 8.193 ( 0.000 0.000 2.038) 2.038 8.926 ( 0.000 10.079 -5.869) 11.663 9.228 ( 0.000 1.181 -12.981) 13.034 9.694 ( 0.000 -1.101 0.720) 1.315 9.694 ( 0.000 7.367 -8.036) 10.902 9.833 ( 0.000 -0.175 -0.818) 0.836 9.884 ( 0.000 2.918 -5.230) 5.989 9.933 ( 0.000 -2.052 2.145) 2.969 10.144 ( 0.000 -6.850 -4.634) 8.270 11.921 ( 0.000 11.727 9.116) 14.853 12.178 ( 0.000 4.189 9.793) 10.651 12.336 ( 0.000 -3.512 9.396) 10.031 12.504 ( 0.000 -13.008 3.884) 13.576 13.005 ( 0.000 4.169 -5.660) 7.030 13.118 ( 0.000 9.267 -3.099) 9.772 13.136 ( 0.000 -2.674 -9.944) 10.298 13.374 ( 0.000 -2.138 -7.056) 7.373 15.354 ( 0.000 -4.086 2.473) 4.776 15.376 ( 0.000 -6.297 -0.302) 6.304 15.579 ( 0.000 -6.490 1.778) 6.729 15.675 ( 0.000 -9.702 1.462) 9.812 29.398 ( 0.000 8.128 1.618) 8.288 29.540 ( 0.000 2.680 -0.177) 2.686 29.638 ( 0.000 3.011 1.170) 3.231 29.640 ( 0.000 1.679 1.472) 2.233 31.711 ( 0.000 3.306 -0.669) 3.373 31.739 ( 0.000 6.418 0.149) 6.420 31.909 ( 0.000 -6.127 -0.779) 6.176 32.015 ( 0.000 -6.766 -0.481) 6.783 83.582 ( 0.000 0.432 2.045) 2.090 83.600 ( 0.000 0.714 2.562) 2.659 83.896 ( 0.000 -6.080 5.569) 8.245 83.930 ( 0.000 -5.773 5.603) 8.045 ======================= Grid point 181 (68/144) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 5.922 16.580 -5.465) 18.434 3.614 ( 4.322 2.750 -5.454) 7.483 3.682 ( 0.593 8.728 -1.433) 8.865 3.944 ( -5.643 17.662 -2.327) 18.687 3.972 ( -0.485 11.408 -1.320) 11.494 4.257 ( 0.741 -12.108 -7.459) 14.240 4.441 ( 2.436 -11.070 7.708) 13.708 4.915 ( -3.927 -19.864 3.936) 20.628 6.628 ( 2.093 6.403 0.841) 6.789 6.832 ( 2.900 -2.005 -0.398) 3.548 6.888 ( -3.073 9.665 1.904) 10.319 7.062 ( 0.553 2.903 0.281) 2.968 7.702 ( -2.945 10.187 -4.997) 11.722 7.828 ( 0.799 7.095 -2.780) 7.662 8.006 ( -8.568 5.718 1.099) 10.359 8.156 ( -5.764 -0.549 1.190) 5.911 9.016 ( 9.399 11.780 -6.586) 16.447 9.333 ( 9.501 0.302 -12.244) 15.501 9.635 ( -6.438 9.416 -8.203) 14.050 9.724 ( 1.781 0.562 -2.526) 3.141 9.839 ( 0.074 1.131 -1.066) 1.556 9.911 ( 4.469 -1.902 -1.982) 5.246 9.954 ( 1.452 -1.359 0.972) 2.214 10.145 ( -0.116 -6.557 -4.480) 7.942 11.908 ( -1.051 11.337 9.521) 14.842 12.106 ( -6.479 5.590 10.098) 13.236 12.347 ( 0.665 -5.808 8.955) 10.694 12.477 ( -2.722 -13.135 4.348) 14.101 13.012 ( 0.742 5.112 -5.328) 7.421 13.100 ( -1.458 8.704 -3.486) 9.488 13.166 ( 2.678 -2.100 -9.091) 9.707 13.352 ( -2.198 -2.212 -7.192) 7.839 15.374 ( 2.316 -4.247 1.854) 5.180 15.417 ( 3.690 -6.265 0.192) 7.273 15.565 ( -1.403 -6.478 1.748) 6.854 15.658 ( -1.894 -9.476 1.315) 9.753 29.415 ( 1.755 7.946 1.544) 8.282 29.538 ( -0.410 3.916 -0.048) 3.938 29.618 ( -1.173 1.800 1.492) 2.616 29.641 ( -0.424 1.917 1.149) 2.275 31.715 ( 0.407 3.557 -0.605) 3.631 31.738 ( -0.137 6.084 0.066) 6.086 31.919 ( 1.040 -6.198 -0.770) 6.332 32.005 ( -1.059 -6.701 -0.519) 6.804 83.600 ( 1.771 0.835 2.034) 2.823 83.618 ( 1.730 1.207 2.392) 3.189 83.880 ( -1.520 -6.589 5.668) 8.823 83.911 ( -1.915 -6.184 5.659) 8.598 ======================= Grid point 182 (69/144) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 9.074 16.683 -5.475) 19.765 3.630 ( -3.722 11.487 -4.567) 12.910 3.734 ( 3.904 11.605 -1.604) 12.348 3.818 ( -6.256 16.974 -0.580) 18.100 4.014 ( 5.662 1.666 -3.691) 6.961 4.160 ( -8.556 -4.603 -5.153) 10.997 4.596 ( 11.299 -18.643 6.191) 22.662 4.794 ( -9.007 -20.390 5.122) 22.872 6.690 ( 4.561 8.688 0.122) 9.813 6.787 ( -5.319 10.342 0.231) 11.632 6.938 ( 5.813 -2.890 -0.757) 6.536 7.035 ( -3.706 -1.143 -0.224) 3.885 7.687 ( 2.119 11.512 -1.506) 11.802 7.776 ( -6.225 11.122 0.546) 12.757 7.934 ( 2.008 0.975 -1.634) 2.766 8.024 ( -6.857 -0.085 -0.262) 6.862 9.235 ( 12.949 12.152 -7.406) 19.240 9.465 ( -10.798 11.053 -8.137) 17.464 9.525 ( 9.588 0.288 -10.892) 14.514 9.681 ( -6.230 1.335 -9.140) 11.142 9.888 ( 4.166 0.722 2.049) 4.698 9.944 ( -1.398 1.615 1.194) 2.447 10.036 ( 6.124 -5.765 -2.477) 8.767 10.122 ( -2.812 -6.032 -3.843) 7.685 11.907 ( 1.672 10.088 10.313) 14.523 11.981 ( -6.022 7.996 10.549) 14.542 12.365 ( 1.692 -9.757 7.637) 12.506 12.415 ( -3.445 -12.450 5.796) 14.158 13.034 ( 1.617 7.020 -4.459) 8.473 13.068 ( -1.893 8.490 -3.678) 9.444 13.228 ( 3.724 -2.428 -8.344) 9.454 13.297 ( -3.550 -2.367 -7.624) 8.737 15.432 ( 3.543 -4.361 1.481) 5.810 15.477 ( 0.563 -5.055 0.679) 5.131 15.546 ( 1.118 -7.927 1.430) 8.132 15.606 ( -3.576 -8.946 1.039) 9.690 29.460 ( 2.842 7.419 1.282) 8.048 29.512 ( -2.424 6.401 0.684) 6.878 29.610 ( 0.447 0.676 1.204) 1.451 29.627 ( -1.021 1.211 1.053) 1.902 31.724 ( 0.539 4.265 -0.420) 4.319 31.733 ( -0.375 5.235 -0.158) 5.251 31.945 ( 1.705 -6.357 -0.717) 6.620 31.978 ( -1.715 -6.541 -0.615) 6.790 83.638 ( 1.851 2.051 1.889) 3.347 83.649 ( 0.926 2.482 1.940) 3.284 83.854 ( -0.665 -7.875 5.980) 9.910 83.870 ( -2.071 -7.425 5.899) 9.707 ======================= Grid point 185 (70/144) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 0.000 -5.734 -5.479) 7.931 3.528 ( 0.000 5.734 -5.479) 7.931 3.866 ( 0.000 -13.824 -6.096) 15.109 3.866 ( 0.000 13.824 -6.096) 15.109 4.212 ( 0.000 -8.907 -2.049) 9.140 4.212 ( 0.000 8.907 -2.049) 9.140 4.528 ( 0.000 -20.519 3.821) 20.872 4.528 ( 0.000 20.519 3.821) 20.872 6.709 ( 0.000 -4.877 1.098) 4.999 6.709 ( 0.000 4.877 1.098) 4.999 7.067 ( 0.000 -2.906 1.634) 3.334 7.067 ( 0.000 2.906 1.634) 3.334 7.864 ( 0.000 -1.893 -6.676) 6.940 7.864 ( 0.000 1.893 -6.676) 6.940 8.193 ( 0.000 -0.603 2.520) 2.591 8.193 ( 0.000 0.603 2.520) 2.591 9.140 ( 0.000 -9.015 -10.106) 13.542 9.140 ( 0.000 9.015 -10.106) 13.542 9.718 ( 0.000 -2.643 -2.021) 3.327 9.718 ( 0.000 2.643 -2.021) 3.327 9.878 ( 0.000 -3.061 -4.896) 5.774 9.878 ( 0.000 3.061 -4.896) 5.774 9.996 ( 0.000 -6.716 -1.640) 6.914 9.996 ( 0.000 6.716 -1.640) 6.914 12.204 ( 0.000 -14.893 6.094) 16.091 12.204 ( 0.000 14.893 6.094) 16.091 12.263 ( 0.000 -4.166 9.925) 10.764 12.263 ( 0.000 4.166 9.925) 10.764 13.078 ( 0.000 -3.158 -7.033) 7.710 13.078 ( 0.000 3.158 -7.033) 7.710 13.288 ( 0.000 -6.405 -3.877) 7.487 13.288 ( 0.000 6.405 -3.877) 7.487 15.311 ( 0.000 -0.277 1.033) 1.069 15.311 ( 0.000 0.277 1.033) 1.069 15.540 ( 0.000 -2.788 1.453) 3.144 15.540 ( 0.000 2.788 1.453) 3.144 29.524 ( 0.000 -3.883 1.068) 4.027 29.524 ( 0.000 3.883 1.068) 4.027 29.664 ( 0.000 -0.324 1.191) 1.234 29.664 ( 0.000 0.324 1.191) 1.234 31.793 ( 0.000 -4.594 -0.935) 4.688 31.793 ( 0.000 4.594 -0.935) 4.688 31.877 ( 0.000 -6.532 -0.078) 6.532 31.877 ( 0.000 6.532 -0.078) 6.532 83.598 ( 0.000 -0.828 2.673) 2.798 83.598 ( 0.000 0.828 2.673) 2.798 83.852 ( 0.000 -1.430 3.656) 3.925 83.852 ( 0.000 1.430 3.656) 3.925 ======================= Grid point 187 (71/144) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 6.285 -5.779 -5.987) 10.428 3.590 ( 6.285 5.779 -5.987) 10.428 3.891 ( 1.798 -13.232 -6.654) 14.919 3.891 ( 1.798 13.232 -6.654) 14.919 4.193 ( -1.166 -8.699 -0.634) 8.800 4.193 ( -1.166 8.699 -0.634) 8.800 4.483 ( -4.715 -21.050 4.008) 21.941 4.483 ( -4.715 21.050 4.008) 21.941 6.742 ( 3.564 -5.279 0.841) 6.425 6.742 ( 3.564 5.279 0.841) 6.425 7.040 ( -2.968 -4.435 1.072) 5.443 7.040 ( -2.968 4.435 1.072) 5.443 7.855 ( -0.443 -4.021 -5.359) 6.715 7.855 ( -0.443 4.021 -5.359) 6.715 8.110 ( -7.534 -4.096 1.864) 8.776 8.110 ( -7.534 4.096 1.864) 8.776 9.241 ( 9.613 -8.926 -10.094) 16.552 9.241 ( 9.613 8.926 -10.094) 16.552 9.749 ( 0.277 -0.302 -7.176) 7.188 9.749 ( 0.277 0.302 -7.176) 7.188 9.850 ( -0.071 -1.234 -0.601) 1.374 9.850 ( -0.071 1.234 -0.601) 1.374 10.012 ( 0.944 -5.545 -1.579) 5.843 10.012 ( 0.944 5.545 -1.579) 5.843 12.178 ( -2.266 -13.771 6.894) 15.566 12.178 ( -2.266 13.771 6.894) 15.566 12.230 ( -3.135 -6.245 9.650) 11.915 12.230 ( -3.135 6.245 9.650) 11.915 13.100 ( 2.219 -3.600 -6.564) 7.808 13.100 ( 2.219 3.600 -6.564) 7.808 13.268 ( -2.014 -6.131 -4.100) 7.646 13.268 ( -2.014 6.131 -4.100) 7.646 15.341 ( 3.005 -1.164 1.002) 3.375 15.341 ( 3.005 1.164 1.002) 3.375 15.526 ( -1.587 -2.719 1.343) 3.423 15.526 ( -1.587 2.719 1.343) 3.423 29.537 ( 1.344 -3.643 1.086) 4.032 29.537 ( 1.344 3.643 1.086) 4.032 29.650 ( -1.434 -1.048 1.185) 2.135 29.650 ( -1.434 1.048 1.185) 2.135 31.801 ( 0.880 -4.759 -0.858) 4.915 31.801 ( 0.880 4.759 -0.858) 4.915 31.870 ( -0.794 -6.326 -0.165) 6.378 31.870 ( -0.794 6.326 -0.165) 6.378 83.623 ( 2.528 -0.931 2.764) 3.859 83.623 ( 2.528 0.931 2.764) 3.859 83.828 ( -2.505 -1.402 3.559) 4.572 83.828 ( -2.505 1.402 3.559) 4.572 ======================= Grid point 189 (72/144) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 8.548 -5.503 -7.194) 12.454 3.736 ( 8.548 5.503 -7.194) 12.454 3.872 ( -4.817 -7.219 -8.019) 11.817 3.872 ( -4.817 7.219 -8.019) 11.817 4.225 ( 5.447 -15.535 2.795) 16.698 4.225 ( 5.447 15.535 2.795) 16.698 4.361 ( -7.837 -20.769 4.013) 22.558 4.361 ( -7.837 20.769 4.013) 22.558 6.836 ( 6.200 -6.008 0.315) 8.639 6.836 ( 6.200 6.008 0.315) 8.639 6.955 ( -5.973 -6.019 0.252) 8.484 6.955 ( -5.973 6.019 0.252) 8.484 7.872 ( 2.834 -5.664 -2.434) 6.785 7.872 ( 2.834 5.664 -2.434) 6.785 7.966 ( -6.987 -5.554 0.176) 8.927 7.966 ( -6.987 5.554 0.176) 8.927 9.449 ( 11.603 -7.735 -10.156) 17.251 9.449 ( 11.603 7.735 -10.156) 17.251 9.647 ( -9.090 -5.626 -10.123) 14.723 9.647 ( -9.090 5.626 -10.123) 14.723 9.931 ( 5.662 -3.944 0.382) 6.911 9.931 ( 5.662 3.944 0.382) 6.911 10.006 ( -2.058 -4.729 -1.045) 5.262 10.006 ( -2.058 4.729 -1.045) 5.262 12.145 ( -0.572 -11.769 8.321) 14.425 12.145 ( -0.572 11.769 8.321) 14.425 12.168 ( -2.821 -9.392 9.204) 13.449 12.168 ( -2.821 9.392 9.204) 13.449 13.154 ( 3.358 -4.504 -5.610) 7.940 13.154 ( 3.358 4.504 -5.610) 7.940 13.217 ( -3.255 -5.423 -4.717) 7.890 13.217 ( -3.255 5.423 -4.717) 7.890 15.410 ( 4.086 -1.988 0.996) 4.652 15.410 ( 4.086 1.988 0.996) 4.652 15.481 ( -3.223 -2.480 1.127) 4.220 15.481 ( -3.223 2.480 1.127) 4.220 29.571 ( 2.218 -2.979 1.126) 3.881 29.571 ( 2.218 2.979 1.126) 3.881 29.614 ( -2.273 -2.047 1.165) 3.273 29.614 ( -2.273 2.047 1.165) 3.273 31.823 ( 1.381 -5.210 -0.653) 5.430 31.823 ( 1.381 5.210 -0.653) 5.430 31.849 ( -1.328 -5.808 -0.388) 5.971 31.849 ( -1.328 5.808 -0.388) 5.971 83.686 ( 4.078 -1.136 3.005) 5.191 83.686 ( 4.078 1.136 3.005) 5.191 83.765 ( -4.064 -1.307 3.308) 5.401 83.765 ( -4.064 1.307 3.308) 5.401 ======================= Grid point 225 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 0.000 19.191) 19.191 1.716 ( 0.000 0.000 23.957) 23.957 2.487 ( 0.000 0.000 1.189) 1.189 2.952 ( 0.000 0.000 -7.206) 7.206 2.998 ( 0.000 0.000 10.289) 10.289 3.133 ( 0.000 0.000 33.306) 33.306 3.699 ( 0.000 0.000 -5.404) 5.404 3.745 ( 0.000 0.000 2.296) 2.296 4.859 ( 0.000 0.000 2.243) 2.243 5.076 ( 0.000 0.000 -1.811) 1.811 5.890 ( 0.000 0.000 20.579) 20.579 6.490 ( 0.000 0.000 3.304) 3.304 7.536 ( 0.000 0.000 0.895) 0.895 7.594 ( 0.000 0.000 9.704) 9.704 7.634 ( 0.000 0.000 -1.199) 1.199 8.273 ( 0.000 0.000 -12.781) 12.781 8.346 ( 0.000 0.000 0.526) 0.526 8.411 ( 0.000 0.000 -1.039) 1.039 8.763 ( 0.000 0.000 3.661) 3.661 8.801 ( 0.000 0.000 -3.796) 3.796 10.034 ( 0.000 0.000 -2.227) 2.227 10.205 ( 0.000 0.000 2.312) 2.312 10.214 ( 0.000 0.000 -8.951) 8.951 11.278 ( 0.000 0.000 -23.568) 23.568 11.588 ( 0.000 0.000 1.174) 1.174 11.660 ( 0.000 0.000 -0.329) 0.329 11.662 ( 0.000 0.000 1.350) 1.350 11.756 ( 0.000 0.000 -0.603) 0.603 12.386 ( 0.000 0.000 6.593) 6.593 12.853 ( 0.000 0.000 -2.734) 2.734 12.907 ( 0.000 0.000 7.531) 7.531 14.096 ( 0.000 0.000 -12.509) 12.509 16.076 ( 0.000 0.000 20.280) 20.280 16.584 ( 0.000 0.000 -2.846) 2.846 17.209 ( 0.000 0.000 2.060) 2.060 17.500 ( 0.000 0.000 -3.824) 3.824 28.331 ( 0.000 0.000 6.395) 6.395 28.361 ( 0.000 0.000 4.993) 4.993 28.780 ( 0.000 0.000 -3.239) 3.239 28.849 ( 0.000 0.000 -4.758) 4.758 31.428 ( 0.000 0.000 5.721) 5.721 31.734 ( 0.000 0.000 -0.801) 0.801 32.553 ( 0.000 0.000 -0.857) 0.857 32.594 ( 0.000 0.000 -1.917) 1.917 83.818 ( 0.000 0.000 10.192) 10.192 84.131 ( 0.000 0.000 8.121) 8.121 85.676 ( 0.000 0.000 30.184) 30.184 87.795 ( 0.000 0.000 -18.043) 18.043 ======================= Grid point 226 (74/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.425 0.000 15.623) 15.629 1.806 ( 9.300 0.000 21.580) 23.498 2.300 ( -17.323 0.000 1.023) 17.354 2.673 ( -16.975 0.000 4.761) 17.630 3.233 ( 12.381 0.000 -0.632) 12.397 3.273 ( 13.659 0.000 30.637) 33.544 3.670 ( -3.127 0.000 -5.162) 6.036 3.842 ( 6.779 0.000 3.355) 7.564 4.721 ( -7.875 0.000 7.350) 10.772 5.103 ( -2.350 0.000 2.363) 3.333 5.976 ( 8.814 0.000 14.455) 16.930 6.456 ( -3.689 0.000 3.184) 4.873 7.544 ( 0.896 0.000 0.731) 1.156 7.624 ( -1.070 0.000 -0.953) 1.433 7.656 ( 6.493 0.000 9.180) 11.244 8.222 ( -6.823 0.000 -7.377) 10.049 8.353 ( 0.740 0.000 0.329) 0.810 8.406 ( -0.572 0.000 -0.927) 1.089 8.627 ( -3.172 0.000 2.692) 4.160 8.897 ( 0.732 0.000 -7.118) 7.155 10.022 ( -1.017 0.000 -3.549) 3.692 10.075 ( -4.686 0.000 -0.495) 4.712 10.465 ( 16.900 0.000 -9.265) 19.273 11.243 ( -4.331 0.000 -23.175) 23.577 11.592 ( 0.419 0.000 1.164) 1.237 11.639 ( -1.117 0.000 0.781) 1.363 11.685 ( 1.344 0.000 0.198) 1.359 11.750 ( -0.639 0.000 -0.549) 0.843 12.391 ( 0.744 0.000 6.567) 6.609 12.675 ( -9.571 0.000 4.745) 10.683 13.143 ( 15.610 0.000 -1.122) 15.650 13.997 ( -9.993 0.000 -11.431) 15.183 16.207 ( 13.159 0.000 19.734) 23.720 16.643 ( 5.884 0.000 -1.503) 6.073 17.152 ( -5.924 0.000 1.909) 6.224 17.374 ( -12.517 0.000 -1.872) 12.656 28.334 ( 0.261 0.000 6.276) 6.281 28.358 ( -0.330 0.000 5.145) 5.156 28.787 ( 0.726 0.000 -3.403) 3.479 28.843 ( -0.657 0.000 -4.628) 4.675 31.479 ( 4.928 0.000 3.586) 6.095 31.720 ( -1.569 0.000 -1.010) 1.866 32.553 ( 0.117 0.000 -0.796) 0.804 32.589 ( -0.541 0.000 -1.755) 1.836 83.829 ( 1.269 0.000 10.499) 10.575 84.071 ( -5.598 0.000 9.322) 10.874 85.849 ( 17.766 0.000 27.156) 32.451 87.522 ( -26.893 0.000 -8.672) 28.257 ======================= Grid point 227 (75/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 9.041 0.000 8.125) 12.155 1.951 ( -17.856 0.000 2.655) 18.052 2.041 ( 15.224 0.000 16.131) 22.181 2.350 ( -17.411 0.000 10.163) 20.161 3.437 ( 9.393 0.000 -2.996) 9.859 3.575 ( 16.998 0.000 22.116) 27.894 3.583 ( -6.266 0.000 -4.400) 7.657 3.838 ( -8.916 0.000 10.400) 13.698 4.725 ( 8.914 0.000 11.672) 14.687 4.953 ( -12.387 0.000 9.282) 15.478 6.173 ( 10.899 0.000 6.214) 12.546 6.350 ( -7.737 0.000 3.339) 8.427 7.567 ( 1.523 0.000 0.272) 1.547 7.598 ( -1.629 0.000 -0.364) 1.669 7.822 ( 10.773 0.000 7.681) 13.231 8.035 ( -11.597 0.000 3.424) 12.092 8.371 ( 1.098 0.000 -0.129) 1.105 8.391 ( -0.996 0.000 -0.602) 1.164 8.676 ( 6.691 0.000 -4.659) 8.153 8.821 ( -7.496 0.000 -7.958) 10.932 10.007 ( -0.263 0.000 -3.849) 3.857 10.019 ( -1.648 0.000 -1.029) 1.943 10.803 ( 18.031 0.000 -16.313) 24.316 11.092 ( -12.175 0.000 -21.093) 24.355 11.603 ( 0.755 0.000 1.119) 1.350 11.619 ( -0.976 0.000 1.004) 1.401 11.710 ( 1.341 0.000 -0.137) 1.348 11.734 ( -1.115 0.000 -0.391) 1.182 12.426 ( 3.372 0.000 6.515) 7.336 12.521 ( -6.772 0.000 6.277) 9.234 13.452 ( 16.972 0.000 -5.605) 17.873 13.756 ( -15.163 0.000 -9.008) 17.636 16.518 ( 18.451 0.000 18.151) 25.882 16.746 ( 0.377 0.000 7.761) 7.770 17.011 ( -5.785 0.000 -0.583) 5.814 17.110 ( -12.789 0.000 -3.077) 13.154 28.341 ( 0.451 0.000 5.952) 5.969 28.350 ( -0.493 0.000 5.522) 5.544 28.805 ( 1.134 0.000 -3.809) 3.974 28.826 ( -1.092 0.000 -4.275) 4.412 31.584 ( 5.612 0.000 0.267) 5.619 31.672 ( -3.657 0.000 -1.104) 3.820 32.560 ( 0.629 0.000 -0.882) 1.084 32.575 ( -0.890 0.000 -1.308) 1.582 83.871 ( 3.450 0.000 10.938) 11.469 83.959 ( -5.788 0.000 10.693) 12.159 86.300 ( 29.658 0.000 19.853) 35.690 86.916 ( -35.061 0.000 7.875) 35.935 ======================= Grid point 230 (76/144) ======================= q-point: ( 0.00 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.000 10.544 17.024) 20.024 2.028 ( 0.000 22.028 21.727) 30.940 2.533 ( 0.000 7.389 1.406) 7.522 3.111 ( 0.000 11.989 17.179) 20.949 3.160 ( 0.000 16.082 -5.254) 16.918 3.380 ( 0.000 21.690 22.648) 31.359 3.796 ( 0.000 11.427 -1.276) 11.498 3.977 ( 0.000 21.377 -4.243) 21.794 4.904 ( 0.000 5.120 1.140) 5.245 5.085 ( 0.000 1.274 -0.930) 1.577 5.869 ( 0.000 -1.874 19.319) 19.410 6.470 ( 0.000 -1.743 2.751) 3.256 7.569 ( 0.000 -2.242 9.091) 9.363 7.637 ( 0.000 -0.198 0.232) 0.305 7.693 ( 0.000 11.950 1.299) 12.021 8.267 ( 0.000 1.175 -9.660) 9.731 8.339 ( 0.000 0.495 1.787) 1.854 8.523 ( 0.000 8.334 -2.872) 8.815 8.763 ( 0.000 0.560 2.376) 2.441 8.889 ( 0.000 7.896 -7.008) 10.557 10.032 ( 0.000 -0.270 -4.590) 4.597 10.132 ( 0.000 -6.900 -7.968) 10.540 10.165 ( 0.000 -3.535 4.702) 5.883 11.052 ( 0.000 -15.905 -13.675) 20.976 11.655 ( 0.000 6.417 0.632) 6.448 11.733 ( 0.000 6.919 0.720) 6.956 11.779 ( 0.000 3.187 -1.458) 3.504 11.874 ( 0.000 13.251 -4.850) 14.110 12.412 ( 0.000 2.481 5.446) 5.985 12.841 ( 0.000 -1.179 -2.168) 2.467 12.942 ( 0.000 2.994 2.368) 3.817 14.013 ( 0.000 -7.887 -12.263) 14.581 16.049 ( 0.000 -2.611 18.699) 18.880 16.522 ( 0.000 -5.987 -2.768) 6.596 17.118 ( 0.000 -8.676 2.046) 8.914 17.353 ( 0.000 -13.499 -1.751) 13.612 28.392 ( 0.000 5.752 6.128) 8.405 28.466 ( 0.000 9.467 2.914) 9.906 28.832 ( 0.000 5.014 -2.947) 5.816 28.903 ( 0.000 5.193 -4.588) 6.930 31.433 ( 0.000 0.530 5.448) 5.473 31.720 ( 0.000 -1.231 -0.665) 1.399 32.531 ( 0.000 -2.104 -0.907) 2.291 32.561 ( 0.000 -3.193 -1.759) 3.646 83.805 ( 0.000 -1.238 9.602) 9.681 84.071 ( 0.000 -5.544 8.279) 9.964 85.570 ( 0.000 -10.047 28.720) 30.427 87.350 ( 0.000 -39.339 -5.907) 39.780 ======================= Grid point 231 (77/144) ======================= q-point: ( 0.20 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -1.178 9.618 14.476) 17.419 2.081 ( 3.378 16.528 17.433) 24.259 2.373 ( -11.806 12.962 4.371) 18.069 2.939 ( -13.196 20.858 6.244) 25.459 3.343 ( 14.195 13.313 14.329) 24.167 3.481 ( 9.213 16.282 11.727) 22.079 3.844 ( 1.253 13.466 -3.124) 13.880 3.981 ( 0.671 17.332 -1.063) 17.378 4.768 ( -7.060 5.396 6.662) 11.106 5.129 ( -1.385 3.117 2.553) 4.260 5.949 ( 8.407 -2.515 13.608) 16.192 6.434 ( -3.912 -1.992 2.652) 5.128 7.600 ( 2.309 -1.863 5.003) 5.817 7.660 ( 2.539 2.011 3.266) 4.600 7.684 ( 0.133 8.311 2.209) 8.601 8.179 ( -9.122 -1.863 -1.954) 9.513 8.372 ( 3.292 1.309 -1.643) 3.905 8.502 ( -1.637 8.533 -1.458) 8.811 8.712 ( -0.980 7.095 -0.107) 7.163 8.940 ( 0.516 4.556 -9.077) 10.170 10.012 ( -1.579 -1.465 -6.729) 7.066 10.054 ( -3.058 -1.335 1.670) 3.731 10.356 ( 14.217 -9.266 -6.232) 18.078 11.021 ( -3.716 -15.937 -13.913) 21.480 11.660 ( 0.500 6.249 0.704) 6.308 11.717 ( -1.309 5.950 0.598) 6.121 11.792 ( 0.990 4.793 -0.788) 4.957 11.868 ( -0.746 12.344 -3.912) 12.971 12.423 ( 1.390 3.150 4.576) 5.727 12.706 ( -8.308 2.827 0.512) 8.791 13.129 ( 13.716 -1.449 -1.759) 13.904 13.919 ( -9.473 -7.393 -11.187) 16.418 16.171 ( 12.296 -3.430 18.187) 22.220 16.580 ( 5.734 -6.150 -1.571) 8.554 17.062 ( -5.916 -8.623 2.096) 10.666 17.242 ( -11.006 -12.145 -0.634) 16.402 28.397 ( 0.549 5.989 5.949) 8.459 28.456 ( -0.984 8.925 3.458) 9.622 28.840 ( 0.776 5.069 -3.145) 6.016 28.897 ( -0.668 5.177 -4.441) 6.853 31.480 ( 4.490 0.092 3.597) 5.754 31.707 ( -1.550 -1.214 -0.819) 2.132 32.531 ( 0.028 -2.189 -0.847) 2.348 32.557 ( -0.409 -3.066 -1.610) 3.487 83.814 ( 1.094 -1.376 9.893) 10.048 84.022 ( -4.672 -4.616 9.158) 11.269 85.721 ( 15.496 -12.068 26.266) 32.798 87.133 ( -21.614 -34.742 0.197) 40.917 ======================= Grid point 232 (78/144) ======================= q-point: ( 0.40 0.07 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 6.377 6.885 8.830) 12.885 1.949 ( -13.916 3.518 4.874) 15.158 2.394 ( 11.926 26.899 14.948) 33.004 2.663 ( -15.561 24.875 10.812) 31.270 3.629 ( 13.298 16.182 1.872) 21.028 3.673 ( 12.279 10.741 13.824) 21.383 3.791 ( -5.880 17.329 -4.413) 18.824 3.916 ( -9.699 10.206 7.059) 15.750 4.781 ( 8.637 6.503 11.317) 15.651 4.996 ( -11.485 4.997 9.288) 15.593 6.142 ( 10.979 -2.852 5.636) 12.666 6.323 ( -7.996 -2.487 2.842) 8.843 7.630 ( 1.258 2.251 1.318) 2.896 7.653 ( -1.257 6.514 1.405) 6.781 7.794 ( 8.942 -2.491 7.150) 11.717 7.981 ( -10.848 -3.794 4.865) 12.480 8.436 ( 2.986 4.904 -1.523) 5.940 8.475 ( -1.447 8.093 -0.864) 8.267 8.753 ( 5.062 7.292 -5.312) 10.345 8.874 ( -6.551 5.205 -8.918) 12.228 9.995 ( -0.013 -1.229 -4.802) 4.957 10.011 ( -1.644 -0.548 -0.920) 1.962 10.646 ( 15.621 -12.841 -11.556) 23.290 10.894 ( -10.225 -15.172 -13.887) 22.969 11.674 ( 0.919 5.983 0.838) 6.111 11.693 ( -1.168 5.822 0.804) 5.992 11.813 ( 1.362 6.886 -0.449) 7.034 11.844 ( -1.750 9.719 -1.671) 10.016 12.471 ( 3.841 4.357 2.649) 6.384 12.567 ( -6.426 4.507 1.303) 7.956 13.408 ( 15.633 -4.308 -5.467) 17.113 13.691 ( -14.303 -6.194 -8.727) 17.864 16.462 ( 17.359 -5.290 16.737) 24.687 16.681 ( 0.419 -6.270 7.197) 9.554 16.919 ( -5.841 -8.793 -0.122) 10.557 17.011 ( -11.380 -9.303 -2.828) 14.969 28.412 ( 1.020 6.686 5.409) 8.661 28.434 ( -1.267 7.768 4.517) 9.075 28.858 ( 1.157 5.137 -3.589) 6.372 28.880 ( -1.097 5.157 -4.068) 6.660 31.576 ( 5.257 -0.657 0.598) 5.331 31.660 ( -3.530 -1.088 -0.787) 3.777 32.535 ( 0.454 -2.425 -0.892) 2.623 32.546 ( -0.690 -2.762 -1.227) 3.100 83.851 ( 2.985 -1.900 10.321) 10.910 83.926 ( -4.946 -3.018 10.177) 11.711 86.112 ( 25.599 -17.381 20.427) 37.077 86.636 ( -29.300 -25.474 11.528) 40.500 ======================= Grid point 235 (79/144) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 18.504 12.322) 22.231 2.329 ( 0.000 9.251 15.051) 17.667 2.780 ( 0.000 12.313 9.232) 15.389 3.393 ( 0.000 5.650 -1.706) 5.902 3.551 ( 0.000 26.283 11.307) 28.612 3.903 ( 0.000 29.938 16.967) 34.412 4.234 ( 0.000 26.656 -3.070) 26.832 4.514 ( 0.000 29.454 -7.607) 30.421 5.127 ( 0.000 18.331 -0.535) 18.339 5.162 ( 0.000 7.456 2.816) 7.970 5.842 ( 0.000 0.894 13.901) 13.929 6.423 ( 0.000 -2.852 1.407) 3.180 7.503 ( 0.000 -4.030 7.651) 8.647 7.612 ( 0.000 -2.165 2.421) 3.248 7.861 ( 0.000 2.454 8.300) 8.655 8.326 ( 0.000 3.489 -5.035) 6.125 8.427 ( 0.000 8.250 -3.000) 8.779 8.643 ( 0.000 2.122 -2.443) 3.236 8.853 ( 0.000 9.270 -1.644) 9.414 9.084 ( 0.000 10.239 -8.609) 13.378 9.994 ( 0.000 -5.461 -7.900) 9.603 10.005 ( 0.000 -3.185 -8.602) 9.172 10.096 ( 0.000 -1.869 8.316) 8.524 10.727 ( 0.000 -15.212 -6.037) 16.366 11.839 ( 0.000 11.351 -1.052) 11.400 11.854 ( 0.000 4.256 0.592) 4.297 11.934 ( 0.000 12.345 0.258) 12.348 12.091 ( 0.000 5.954 2.732) 6.551 12.514 ( 0.000 8.651 -3.923) 9.499 12.806 ( 0.000 -2.221 -0.667) 2.319 13.000 ( 0.000 2.021 -6.289) 6.605 13.790 ( 0.000 -13.545 -11.673) 17.881 15.973 ( 0.000 -4.785 14.634) 15.397 16.347 ( 0.000 -10.872 -2.471) 11.149 16.870 ( 0.000 -15.138 1.977) 15.266 17.001 ( 0.000 -19.624 1.061) 19.653 28.554 ( 0.000 9.813 5.410) 11.206 28.703 ( 0.000 12.868 -0.007) 12.868 28.976 ( 0.000 8.859 -2.107) 9.106 29.053 ( 0.000 9.140 -3.984) 9.970 31.451 ( 0.000 1.262 4.670) 4.837 31.688 ( 0.000 -1.759 -0.384) 1.800 32.468 ( 0.000 -5.707 -1.376) 5.871 32.469 ( 0.000 -3.909 -1.045) 4.047 83.770 ( 0.000 -2.150 8.042) 8.325 83.929 ( 0.000 -7.715 8.122) 11.202 85.291 ( 0.000 -16.522 24.709) 29.724 86.411 ( 0.000 -48.048 10.164) 49.111 ======================= Grid point 236 (80/144) ======================= q-point: ( 0.20 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -3.042 17.388 10.951) 20.773 2.295 ( -6.352 9.136 7.919) 13.657 2.749 ( 1.498 15.793 16.206) 22.678 3.339 ( -7.213 14.381 6.541) 17.367 3.694 ( 12.848 14.158 4.314) 19.599 3.920 ( 3.928 32.105 15.238) 35.755 4.227 ( -2.113 21.409 -4.732) 22.027 4.502 ( -2.622 31.031 -6.380) 31.788 4.994 ( -3.346 17.411 7.025) 19.070 5.283 ( 2.329 13.789 2.091) 14.140 5.896 ( 6.429 -1.379 10.052) 12.012 6.381 ( -4.531 -3.151 1.326) 5.676 7.536 ( 3.487 -4.062 6.361) 8.313 7.643 ( 3.259 -2.527 3.282) 5.270 7.826 ( -3.356 2.338 7.213) 8.292 8.190 ( -13.554 2.601 -0.038) 13.801 8.435 ( 4.941 4.714 -2.075) 7.138 8.697 ( 1.340 9.875 -3.112) 10.440 8.876 ( 2.636 8.417 -3.306) 9.420 9.085 ( -0.863 9.064 -10.025) 13.542 9.960 ( -0.723 -2.635 -7.493) 7.976 10.047 ( -1.329 0.354 -1.015) 1.709 10.153 ( 9.081 -9.449 -1.406) 13.181 10.696 ( -3.620 -15.067 -6.428) 16.776 11.805 ( -1.518 6.295 1.126) 6.572 11.871 ( -0.166 9.669 0.692) 9.695 11.948 ( 1.352 10.541 0.304) 10.632 12.070 ( -2.116 6.262 2.811) 7.183 12.539 ( 2.620 8.830 -5.046) 10.503 12.770 ( -3.437 2.769 -4.494) 6.299 13.082 ( 8.245 -3.028 -4.296) 9.778 13.709 ( -8.168 -12.796 -10.582) 18.505 16.072 ( 10.088 -6.050 14.218) 18.454 16.400 ( 5.278 -11.187 -1.635) 12.477 16.816 ( -5.767 -14.939 2.523) 16.211 16.923 ( -7.804 -18.027 0.782) 19.659 28.565 ( 1.126 10.073 5.127) 11.359 28.684 ( -1.957 12.533 0.920) 12.719 28.985 ( 0.883 8.915 -2.381) 9.270 29.046 ( -0.725 9.094 -3.799) 9.883 31.486 ( 3.452 0.657 3.401) 4.890 31.675 ( -1.431 -1.674 -0.423) 2.243 32.464 ( -0.214 -4.726 -1.079) 4.852 32.471 ( -0.062 -4.827 -1.177) 4.969 83.775 ( 0.703 -2.321 8.292) 8.640 83.902 ( -2.606 -6.566 8.390) 10.967 85.392 ( 10.396 -19.149 23.384) 31.962 86.289 ( -12.452 -44.006 12.134) 47.316 ======================= Grid point 237 (81/144) ======================= q-point: ( 0.40 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 2.919 15.333 7.598) 17.359 2.111 ( -10.443 11.935 4.650) 16.526 2.890 ( 11.900 17.991 18.891) 28.673 3.136 ( -13.281 17.559 14.304) 26.255 3.926 ( 10.589 9.965 0.574) 14.552 4.047 ( 3.037 22.036 6.499) 23.175 4.175 ( 2.561 25.170 -1.845) 25.367 4.369 ( -11.175 30.565 -1.422) 32.574 5.053 ( 8.102 20.922 9.446) 24.343 5.219 ( -7.882 18.381 7.507) 21.362 6.069 ( 10.828 -3.662 3.542) 11.967 6.257 ( -8.665 -3.716 1.405) 9.533 7.621 ( 5.180 -3.575 4.652) 7.826 7.700 ( -0.921 -4.559 4.283) 6.323 7.785 ( 3.188 2.908 5.829) 7.252 7.944 ( -11.666 0.775 4.188) 12.420 8.557 ( 7.039 6.427 -1.152) 9.602 8.667 ( -4.138 9.743 -1.248) 10.659 8.943 ( 4.307 10.140 -6.837) 12.966 9.030 ( -4.590 9.690 -9.706) 14.463 9.966 ( 1.253 -1.314 -5.374) 5.672 10.003 ( -2.525 -0.242 -1.943) 3.196 10.372 ( 12.727 -12.528 -6.061) 18.859 10.581 ( -8.933 -14.315 -6.953) 18.250 11.802 ( 1.278 5.605 2.922) 6.449 11.843 ( -2.498 7.759 2.653) 8.572 11.980 ( 2.035 9.602 0.954) 9.861 12.023 ( -2.552 8.177 1.998) 8.796 12.606 ( 4.338 8.702 -6.820) 11.877 12.692 ( -4.614 7.134 -7.097) 11.070 13.280 ( 12.222 -8.005 -5.211) 15.512 13.513 ( -12.145 -10.947 -8.025) 18.214 16.313 ( 14.410 -9.036 13.099) 21.468 16.498 ( 0.938 -11.361 5.484) 12.650 16.674 ( -5.508 -14.407 0.691) 15.439 16.756 ( -8.839 -14.993 -2.255) 17.551 28.595 ( 2.080 10.782 4.242) 11.772 28.639 ( -2.551 11.718 2.730) 12.299 29.006 ( 1.209 8.981 -2.892) 9.512 29.028 ( -1.133 9.024 -3.385) 9.704 31.563 ( 4.298 -0.494 1.141) 4.475 31.633 ( -3.091 -1.319 -0.165) 3.365 32.463 ( 0.112 -4.675 -0.957) 4.773 32.467 ( -0.283 -4.774 -1.027) 4.891 83.799 ( 1.918 -2.996 8.669) 9.370 83.846 ( -3.003 -4.481 8.709) 10.245 85.654 ( 16.942 -25.864 20.282) 36.978 85.991 ( -18.232 -34.989 16.277) 42.680 ======================= Grid point 240 (82/144) ======================= q-point: ( 0.00 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 23.096 7.727) 24.354 2.509 ( 0.000 9.037 10.814) 14.093 3.009 ( 0.000 11.188 9.482) 14.665 3.452 ( 0.000 1.258 -2.103) 2.450 3.870 ( 0.000 5.784 9.125) 10.803 4.555 ( 0.000 4.193 -6.877) 8.054 4.665 ( 0.000 40.463 8.994) 41.451 5.132 ( 0.000 18.328 9.335) 20.569 5.400 ( 0.000 22.329 -2.858) 22.512 5.635 ( 0.000 28.548 1.489) 28.587 6.028 ( 0.000 19.071 0.492) 19.077 6.359 ( 0.000 -2.720 -1.177) 2.964 7.417 ( 0.000 -3.985 4.887) 6.306 7.568 ( 0.000 -1.504 4.851) 5.079 7.842 ( 0.000 -2.202 11.743) 11.948 8.358 ( 0.000 -1.044 -0.214) 1.066 8.594 ( 0.000 6.353 -5.679) 8.521 8.682 ( 0.000 2.958 -6.810) 7.424 9.067 ( 0.000 10.294 -1.755) 10.442 9.289 ( 0.000 10.008 -5.491) 11.416 9.919 ( 0.000 -4.127 -3.693) 5.538 9.922 ( 0.000 -2.218 -8.765) 9.041 10.086 ( 0.000 0.006 2.559) 2.559 10.448 ( 0.000 -11.740 -1.677) 11.859 11.947 ( 0.000 4.360 5.749) 7.215 12.108 ( 0.000 14.621 -2.502) 14.833 12.127 ( 0.000 -0.457 9.163) 9.174 12.211 ( 0.000 14.045 0.493) 14.054 12.744 ( 0.000 12.230 -11.700) 16.925 12.754 ( 0.000 -2.722 1.315) 3.023 13.015 ( 0.000 -0.329 -11.222) 11.227 13.484 ( 0.000 -15.827 -10.877) 19.204 15.856 ( 0.000 -6.601 9.701) 11.734 16.092 ( 0.000 -13.712 -1.865) 13.838 16.524 ( 0.000 -18.124 1.885) 18.221 16.596 ( 0.000 -19.337 1.669) 19.409 28.778 ( 0.000 11.737 4.482) 12.564 28.966 ( 0.000 12.542 -1.163) 12.596 29.179 ( 0.000 10.518 -0.947) 10.560 29.258 ( 0.000 10.373 -2.819) 10.749 31.487 ( 0.000 2.294 3.512) 4.195 31.655 ( 0.000 -1.332 -0.184) 1.345 32.335 ( 0.000 -7.171 -0.950) 7.233 32.375 ( 0.000 -5.235 -1.220) 5.375 83.721 ( 0.000 -2.518 6.038) 6.542 83.781 ( 0.000 -6.345 6.875) 9.355 84.928 ( 0.000 -18.326 19.176) 26.524 85.501 ( 0.000 -39.968 14.775) 42.611 ======================= Grid point 241 (83/144) ======================= q-point: ( 0.20 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -4.560 18.792 7.799) 20.851 2.530 ( -2.907 14.975 5.198) 16.115 3.002 ( 2.844 10.926 14.720) 18.552 3.489 ( -0.652 2.863 2.132) 3.629 3.876 ( 3.647 3.882 7.331) 9.062 4.461 ( -8.100 5.977 -4.032) 10.843 4.741 ( 6.572 38.757 6.547) 39.852 5.221 ( 3.536 33.277 -2.537) 33.561 5.326 ( -1.112 11.454 9.315) 14.805 5.702 ( 3.892 25.326 1.350) 25.658 6.022 ( 0.215 16.925 -0.444) 16.932 6.321 ( -4.040 -1.250 -1.610) 4.525 7.445 ( 2.969 -4.429 4.848) 7.206 7.579 ( 0.990 -2.969 4.866) 5.786 7.818 ( -1.834 -1.336 9.735) 9.996 8.224 ( -13.752 -0.123 -0.622) 13.766 8.541 ( 4.393 5.152 -1.161) 6.869 8.879 ( 8.693 7.147 -7.293) 13.410 9.034 ( -1.689 6.946 -2.703) 7.643 9.285 ( -0.973 10.189 -6.743) 12.257 9.922 ( 0.255 -1.711 -7.709) 7.901 9.995 ( 7.276 -5.335 -1.935) 9.228 10.060 ( -2.313 0.406 -0.235) 2.360 10.427 ( -2.565 -10.929 -2.291) 11.457 11.911 ( -2.579 4.320 6.363) 8.111 12.048 ( -5.414 3.143 6.953) 9.356 12.158 ( 2.823 11.750 0.556) 12.097 12.237 ( 1.295 12.891 0.395) 12.962 12.750 ( 1.662 8.587 -9.303) 12.769 12.805 ( 3.498 2.170 -4.584) 6.161 13.019 ( 1.082 -2.576 -9.465) 9.869 13.418 ( -6.605 -15.079 -9.730) 19.123 15.930 ( 7.449 -7.825 9.436) 14.344 16.138 ( 4.571 -14.092 -1.418) 14.882 16.479 ( -4.841 -17.486 2.493) 18.315 16.544 ( -5.201 -18.386 0.909) 19.129 28.792 ( 1.562 11.882 4.152) 12.683 28.943 ( -2.266 12.580 -0.272) 12.785 29.188 ( 0.888 10.456 -1.266) 10.570 29.250 ( -0.799 10.352 -2.632) 10.711 31.510 ( 2.280 1.727 2.757) 3.972 31.645 ( -1.123 -1.152 -0.135) 1.614 32.338 ( 0.307 -6.946 -0.922) 7.013 32.370 ( -0.464 -5.403 -1.142) 5.542 83.724 ( 0.376 -2.602 6.243) 6.774 83.774 ( -0.700 -5.551 6.739) 8.759 84.979 ( 5.362 -20.426 18.701) 28.208 85.442 ( -6.094 -37.729 15.197) 41.129 ======================= Grid point 242 (84/144) ======================= q-point: ( 0.40 0.21 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.996 19.036 5.482) 19.835 2.418 ( -6.690 17.872 3.464) 19.395 3.146 ( 11.026 9.177 16.909) 22.174 3.362 ( -10.967 6.489 12.155) 17.610 4.043 ( 12.256 1.845 1.334) 12.466 4.274 ( -11.724 3.350 -1.698) 12.311 4.897 ( 9.918 38.748 3.234) 40.128 5.092 ( -10.419 37.327 -1.713) 38.792 5.503 ( 12.096 15.300 9.099) 21.522 5.685 ( -6.251 21.785 5.347) 23.286 6.082 ( 6.270 10.055 -3.009) 12.226 6.215 ( -7.003 3.137 -2.704) 8.136 7.517 ( 4.300 -5.561 5.141) 8.709 7.580 ( -1.692 -5.877 5.422) 8.173 7.822 ( 3.762 0.935 5.410) 6.656 7.972 ( -11.690 1.004 1.923) 11.889 8.682 ( 9.238 5.641 0.337) 10.830 8.849 ( -7.850 7.927 -0.401) 11.163 9.122 ( 7.439 6.781 -9.011) 13.510 9.236 ( -4.467 9.554 -8.512) 13.553 9.942 ( 2.063 -1.330 -4.589) 5.204 9.995 ( -3.337 -0.805 -0.665) 3.497 10.176 ( 10.126 -6.084 -4.681) 12.707 10.341 ( -6.877 -8.806 -3.600) 11.739 11.889 ( 0.819 3.139 7.877) 8.519 11.945 ( -4.853 2.298 8.395) 9.965 12.208 ( 2.357 12.794 0.156) 13.010 12.240 ( -0.892 13.001 0.154) 13.033 12.796 ( 2.797 8.731 -11.257) 14.518 12.835 ( -0.765 6.644 -10.255) 12.243 13.095 ( 7.383 -9.474 -5.553) 13.232 13.262 ( -9.487 -13.153 -7.058) 17.687 16.107 ( 10.568 -10.873 8.749) 17.506 16.231 ( 2.505 -14.432 2.871) 14.926 16.362 ( -4.981 -15.632 1.363) 16.462 16.425 ( -6.935 -16.827 -1.480) 18.260 28.834 ( 2.761 12.219 3.148) 12.917 28.890 ( -3.159 12.512 1.529) 12.995 29.208 ( 1.210 10.360 -1.790) 10.583 29.231 ( -1.181 10.326 -2.241) 10.632 31.562 ( 3.009 0.517 1.280) 3.311 31.613 ( -2.309 -0.549 0.234) 2.385 32.347 ( 0.596 -6.415 -0.903) 6.506 32.359 ( -0.693 -5.841 -0.988) 5.964 83.736 ( 0.930 -3.002 6.500) 7.220 83.756 ( -1.128 -4.049 6.593) 7.819 85.116 ( 8.913 -25.710 17.553) 32.381 85.292 ( -9.360 -32.196 16.249) 37.259 ======================= Grid point 245 (85/144) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 0.000 10.117 6.846) 12.215 2.958 ( 0.000 24.842 4.462) 25.240 3.256 ( 0.000 13.038 5.385) 14.107 3.466 ( 0.000 0.385 -4.187) 4.205 3.897 ( 0.000 -1.429 5.160) 5.355 4.517 ( 0.000 -6.369 -9.421) 11.372 5.115 ( 0.000 -9.323 17.877) 20.162 5.336 ( 0.000 19.590 7.033) 20.814 6.092 ( 0.000 34.842 -8.471) 35.857 6.117 ( 0.000 15.656 4.589) 16.314 6.436 ( 0.000 14.455 -4.863) 15.251 6.470 ( 0.000 19.411 -5.678) 20.224 7.362 ( 0.000 -0.596 1.622) 1.728 7.581 ( 0.000 3.407 7.045) 7.825 7.834 ( 0.000 2.431 7.755) 8.127 8.297 ( 0.000 -4.002 0.203) 4.007 8.677 ( 0.000 2.441 -3.968) 4.658 8.768 ( 0.000 5.132 -9.833) 11.091 9.251 ( 0.000 7.713 -1.832) 7.928 9.496 ( 0.000 9.947 -4.062) 10.744 9.857 ( 0.000 -1.906 -2.104) 2.839 9.862 ( 0.000 -4.228 -5.674) 7.076 10.076 ( 0.000 -1.235 0.749) 1.444 10.263 ( 0.000 -6.403 -1.705) 6.626 11.993 ( 0.000 -0.098 12.964) 12.964 12.157 ( 0.000 4.386 6.747) 8.047 12.414 ( 0.000 14.197 -1.838) 14.315 12.479 ( 0.000 11.694 0.486) 11.704 12.708 ( 0.000 -0.993 2.980) 3.141 12.947 ( 0.000 4.337 -10.776) 11.616 13.022 ( 0.000 4.128 -12.994) 13.634 13.166 ( 0.000 -14.883 -9.747) 17.790 15.705 ( 0.000 -8.109 5.474) 9.784 15.806 ( 0.000 -13.879 -1.046) 13.918 16.155 ( 0.000 -17.488 1.922) 17.593 16.231 ( 0.000 -16.191 1.068) 16.226 29.021 ( 0.000 11.857 3.610) 12.394 29.208 ( 0.000 11.046 -1.162) 11.107 29.388 ( 0.000 9.656 0.125) 9.657 29.455 ( 0.000 8.600 -1.307) 8.699 31.546 ( 0.000 3.543 2.164) 4.152 31.639 ( 0.000 -0.139 -0.169) 0.219 32.183 ( 0.000 -7.567 -0.598) 7.591 32.259 ( 0.000 -6.043 -1.344) 6.191 83.671 ( 0.000 -2.208 4.181) 4.729 83.681 ( 0.000 -3.367 4.881) 5.930 84.567 ( 0.000 -16.622 13.383) 21.340 84.796 ( 0.000 -29.187 12.522) 31.760 ======================= Grid point 246 (86/144) ======================= q-point: ( 0.20 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -0.124 13.449 5.321) 14.464 2.938 ( -3.576 23.333 2.447) 23.732 3.234 ( 1.019 11.976 8.655) 14.811 3.519 ( 1.761 0.795 -1.217) 2.284 3.893 ( 2.074 -1.162 4.405) 5.006 4.454 ( -7.071 -4.616 -6.282) 10.525 5.211 ( 9.743 -10.943 13.953) 20.233 5.388 ( 4.814 17.330 6.506) 19.127 6.001 ( -5.933 31.348 -3.580) 32.105 6.110 ( -4.292 15.735 0.722) 16.326 6.433 ( 1.890 21.806 -5.127) 22.480 6.512 ( 2.307 18.034 -6.210) 19.213 7.380 ( 1.900 -1.181 2.506) 3.359 7.564 ( -1.981 2.510 6.717) 7.440 7.816 ( -0.960 1.675 6.233) 6.525 8.193 ( -10.737 -2.267 -1.022) 11.022 8.640 ( 4.103 4.716 -1.219) 6.369 8.977 ( 13.298 3.128 -10.031) 16.948 9.174 ( -7.178 6.896 -1.607) 10.082 9.483 ( -2.283 8.592 -6.024) 10.739 9.862 ( 1.617 -3.468 -2.716) 4.693 9.934 ( 5.871 -1.526 -2.093) 6.416 10.059 ( -1.358 -0.723 -0.991) 1.830 10.258 ( -0.823 -5.802 -2.249) 6.276 11.964 ( -2.326 0.818 12.481) 12.722 12.093 ( -5.692 3.834 8.084) 10.605 12.439 ( 2.245 13.891 -1.619) 14.164 12.507 ( 1.769 12.610 -0.001) 12.733 12.738 ( 3.595 -3.327 2.091) 5.326 12.956 ( 0.830 4.026 -11.008) 11.751 13.013 ( -0.884 4.450 -12.864) 13.641 13.115 ( -5.151 -14.175 -8.477) 17.301 15.756 ( 5.113 -9.146 5.401) 11.789 15.845 ( 3.935 -14.056 -0.864) 14.622 16.123 ( -3.251 -16.876 1.901) 17.291 16.194 ( -3.860 -15.606 0.787) 16.095 29.038 ( 1.728 11.885 3.309) 12.458 29.189 ( -1.989 11.316 -0.458) 11.498 29.394 ( 0.620 9.416 -0.161) 9.438 29.448 ( -0.768 8.647 -1.188) 8.762 31.559 ( 1.229 3.076 1.766) 3.754 31.633 ( -0.632 0.114 -0.092) 0.649 32.190 ( 0.715 -7.405 -0.646) 7.468 32.251 ( -0.787 -6.175 -1.253) 6.350 83.674 ( 0.365 -2.096 4.383) 4.872 83.686 ( 0.385 -3.020 4.585) 5.504 84.583 ( 1.781 -17.962 13.312) 22.428 84.769 ( -2.713 -28.105 12.596) 30.918 ======================= Grid point 247 (87/144) ======================= q-point: ( 0.40 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 3.619 18.500 3.262) 19.131 2.828 ( -6.811 21.574 1.751) 22.691 3.322 ( 7.196 8.804 10.350) 15.376 3.461 ( -6.772 4.059 6.413) 10.171 4.032 ( 11.594 -2.287 0.208) 11.820 4.266 ( -12.307 -3.185 -2.367) 12.930 5.413 ( 9.228 -9.219 8.842) 15.758 5.472 ( 2.550 7.269 6.303) 9.954 5.916 ( -1.708 31.105 -2.147) 31.226 5.981 ( -7.593 19.169 0.372) 20.622 6.491 ( 3.258 23.509 -5.618) 24.390 6.530 ( -0.633 20.999 -6.294) 21.931 7.433 ( 3.639 -1.764 4.234) 5.855 7.507 ( -3.925 -0.246 5.749) 6.966 7.841 ( 4.285 1.234 3.307) 5.552 7.980 ( -10.361 0.155 0.589) 10.379 8.792 ( 10.541 5.473 -0.025) 11.877 8.994 ( -10.385 6.611 -0.741) 12.333 9.218 ( 11.007 3.077 -10.304) 15.388 9.393 ( -7.357 5.449 -8.948) 12.802 9.912 ( 3.459 -1.071 -0.506) 3.656 9.975 ( -2.584 -0.704 1.698) 3.171 10.107 ( 6.762 -1.930 -5.225) 8.761 10.216 ( -4.080 -4.130 -3.603) 6.832 11.939 ( 0.315 2.004 11.669) 11.844 11.988 ( -4.739 2.911 10.207) 11.624 12.484 ( 2.289 13.419 -0.927) 13.644 12.515 ( -0.861 13.316 -0.380) 13.349 12.842 ( 7.127 -6.668 -1.299) 9.846 12.975 ( 0.005 4.717 -10.203) 11.241 12.979 ( -4.248 -3.283 -9.617) 11.015 13.005 ( -3.425 -5.356 -9.312) 11.275 15.874 ( 6.708 -11.958 4.999) 14.594 15.930 ( 3.422 -14.411 1.255) 14.865 16.049 ( -3.170 -14.827 0.984) 15.194 16.099 ( -5.798 -14.492 -0.308) 15.612 29.082 ( 2.913 11.896 2.413) 12.483 29.140 ( -3.071 11.724 1.021) 12.163 29.410 ( 0.995 9.029 -0.616) 9.105 29.430 ( -1.087 8.780 -0.941) 8.897 31.587 ( 1.661 1.986 0.927) 2.750 31.615 ( -1.296 0.866 0.235) 1.576 32.208 ( 1.194 -7.001 -0.797) 7.146 32.232 ( -1.239 -6.532 -1.031) 6.728 83.684 ( 0.514 -1.981 4.425) 4.875 83.690 ( -0.054 -2.364 4.399) 4.994 84.633 ( 3.411 -21.327 13.094) 25.257 84.704 ( -3.984 -25.186 12.808) 28.535 ======================= Grid point 250 (88/144) ======================= q-point: ( 0.00 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 0.000 11.587 1.253) 11.654 3.423 ( 0.000 10.794 2.554) 11.092 3.515 ( 0.000 14.185 -6.608) 15.649 3.524 ( 0.000 12.207 2.519) 12.464 3.859 ( 0.000 -0.940 0.759) 1.208 4.319 ( 0.000 -12.718 -11.438) 17.105 4.877 ( 0.000 -12.936 14.605) 19.510 5.372 ( 0.000 -11.622 6.080) 13.116 6.430 ( 0.000 14.341 -0.060) 14.342 6.690 ( 0.000 21.778 -5.413) 22.440 6.735 ( 0.000 7.667 -5.214) 9.272 6.775 ( 0.000 14.443 1.679) 14.541 7.424 ( 0.000 6.835 -2.800) 7.386 7.693 ( 0.000 6.108 5.075) 7.941 7.950 ( 0.000 8.267 0.882) 8.314 8.228 ( 0.000 -2.215 -1.041) 2.447 8.726 ( 0.000 3.094 -2.306) 3.858 8.881 ( 0.000 5.621 -11.263) 12.587 9.394 ( 0.000 6.632 -4.662) 8.106 9.661 ( 0.000 4.343 -6.864) 8.123 9.777 ( 0.000 -1.965 0.290) 1.987 9.833 ( 0.000 -0.728 -1.131) 1.345 10.034 ( 0.000 -2.786 1.339) 3.091 10.164 ( 0.000 -4.136 -3.055) 5.142 12.004 ( 0.000 2.555 12.660) 12.915 12.272 ( 0.000 6.041 8.942) 10.791 12.553 ( 0.000 -0.045 6.561) 6.562 12.701 ( 0.000 5.701 -2.431) 6.197 12.779 ( 0.000 7.465 1.716) 7.660 12.914 ( 0.000 -5.923 -9.102) 10.859 12.953 ( 0.000 -0.551 -10.134) 10.149 13.154 ( 0.000 5.677 -10.079) 11.568 15.536 ( 0.000 -8.112 2.697) 8.548 15.546 ( 0.000 -11.042 -0.324) 11.047 15.832 ( 0.000 -13.646 2.124) 13.810 15.934 ( 0.000 -13.033 0.733) 13.054 29.251 ( 0.000 10.435 2.875) 10.824 29.409 ( 0.000 8.409 -0.728) 8.441 29.559 ( 0.000 6.837 0.809) 6.885 29.597 ( 0.000 5.121 0.125) 5.122 31.631 ( 0.000 4.751 0.840) 4.825 31.652 ( 0.000 1.454 -0.278) 1.481 32.032 ( 0.000 -7.089 -0.335) 7.097 32.131 ( 0.000 -6.413 -1.325) 6.549 83.636 ( 0.000 -1.112 2.946) 3.149 83.643 ( 0.000 -0.452 3.126) 3.158 84.262 ( 0.000 -13.115 8.359) 15.553 84.304 ( 0.000 -19.230 8.643) 21.083 ======================= Grid point 251 (89/144) ======================= q-point: ( 0.20 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 4.432 13.186 1.007) 13.947 3.417 ( -6.315 21.623 -0.316) 22.529 3.470 ( 2.768 7.977 1.888) 8.652 3.557 ( 0.763 6.920 -1.539) 7.130 3.862 ( 1.822 -1.019 0.166) 2.094 4.304 ( -3.311 -9.613 -8.456) 13.224 4.932 ( 6.628 -15.447 11.712) 20.487 5.367 ( -1.252 -13.619 5.605) 14.780 6.419 ( -0.810 16.145 0.022) 16.165 6.598 ( -6.459 21.009 -2.037) 22.074 6.763 ( 3.104 7.118 -4.599) 9.025 6.848 ( 3.902 15.190 -3.357) 16.039 7.430 ( 1.047 6.403 -0.728) 6.529 7.682 ( -1.891 7.570 4.685) 9.101 7.891 ( -4.074 5.363 1.358) 6.871 8.157 ( -7.703 -0.809 -1.866) 7.967 8.746 ( 5.660 5.963 -2.123) 8.491 9.037 ( 12.055 2.996 -11.124) 16.675 9.315 ( -7.604 7.010 -4.687) 11.354 9.600 ( -5.828 2.158 -8.077) 10.191 9.823 ( 4.540 0.335 1.182) 4.704 9.910 ( 6.205 -1.028 -1.010) 6.370 10.027 ( -0.548 -2.233 0.428) 2.339 10.164 ( -0.177 -4.061 -3.156) 5.146 11.993 ( -0.780 3.168 12.676) 13.089 12.198 ( -6.582 5.831 9.687) 13.083 12.596 ( 3.474 -1.734 6.150) 7.273 12.704 ( 0.336 3.303 -1.792) 3.773 12.772 ( -0.663 7.981 0.663) 8.036 12.878 ( -3.433 -3.803 -8.713) 10.107 12.979 ( 2.586 0.565 -9.672) 10.028 13.140 ( -1.540 5.192 -9.860) 11.250 15.560 ( 2.808 -9.818 2.020) 10.409 15.592 ( 4.141 -10.070 0.485) 10.899 15.811 ( -2.111 -13.239 1.891) 13.539 15.907 ( -2.841 -12.626 0.611) 12.957 29.267 ( 1.688 10.388 2.651) 10.853 29.397 ( -1.301 8.900 -0.239) 8.998 29.558 ( -0.010 6.366 0.640) 6.398 29.591 ( -0.627 5.213 0.134) 5.252 31.635 ( 0.377 4.398 0.684) 4.467 31.652 ( -0.047 1.732 -0.214) 1.746 32.041 ( 0.953 -7.034 -0.440) 7.111 32.121 ( -1.005 -6.481 -1.240) 6.675 83.645 ( 0.888 -0.806 2.892) 3.131 83.651 ( 0.751 -0.236 3.055) 3.155 84.257 ( -0.410 -13.910 8.425) 16.267 84.291 ( -1.230 -18.925 8.655) 20.846 ======================= Grid point 252 (90/144) ======================= q-point: ( 0.40 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 8.470 16.637 0.406) 18.673 3.261 ( -9.529 19.718 -0.462) 21.905 3.521 ( 2.077 10.077 3.158) 10.762 3.551 ( -1.179 6.223 0.458) 6.350 3.972 ( 9.606 -2.964 -1.386) 10.148 4.170 ( -10.232 -5.512 -3.477) 12.131 5.113 ( 11.283 -18.154 6.730) 22.409 5.294 ( -7.078 -17.182 5.141) 19.281 6.422 ( 1.708 19.439 0.026) 19.514 6.487 ( -5.058 20.969 -0.545) 21.578 6.832 ( 3.755 8.641 -5.427) 10.873 6.880 ( -0.695 12.112 -5.659) 13.387 7.481 ( 4.765 6.843 2.791) 8.793 7.596 ( -6.631 8.478 4.264) 11.577 7.879 ( 3.237 2.326 0.736) 4.053 7.993 ( -8.380 1.188 -0.744) 8.496 8.919 ( 11.440 7.143 -2.910) 13.798 9.134 ( -10.955 7.341 -4.064) 13.799 9.265 ( 11.467 1.782 -11.258) 16.168 9.460 ( -9.095 1.543 -10.043) 13.637 9.912 ( 4.374 0.795 1.681) 4.753 9.971 ( -1.463 0.156 2.279) 2.713 10.062 ( 5.197 -2.812 -3.667) 6.955 10.142 ( -2.695 -3.616 -3.447) 5.676 11.998 ( 1.894 4.395 12.372) 13.265 12.073 ( -5.954 5.362 11.226) 13.792 12.659 ( 3.173 -5.518 4.761) 7.949 12.704 ( -1.100 -3.917 2.672) 4.867 12.766 ( 0.756 9.561 -4.194) 10.468 12.808 ( -3.454 3.386 -7.186) 8.662 13.038 ( 3.414 2.509 -9.356) 10.271 13.098 ( -2.876 4.067 -9.480) 10.709 15.629 ( 4.090 -11.077 2.077) 11.989 15.667 ( 2.050 -11.018 1.508) 11.308 15.773 ( -0.248 -11.855 0.771) 11.882 15.834 ( -4.680 -11.668 0.301) 12.575 29.310 ( 2.707 10.201 1.978) 10.738 29.361 ( -2.531 9.727 0.901) 10.091 29.563 ( 0.520 5.670 0.316) 5.702 29.576 ( -0.850 5.371 0.161) 5.440 31.643 ( 0.432 3.514 0.331) 3.556 31.650 ( -0.229 2.496 -0.008) 2.506 32.066 ( 1.571 -6.874 -0.705) 7.086 32.096 ( -1.604 -6.659 -1.009) 6.923 83.662 ( 0.635 -0.168 2.826) 2.901 83.664 ( 0.426 0.068 2.900) 2.932 84.253 ( 0.148 -15.881 8.570) 18.047 84.266 ( -1.210 -17.843 8.658) 19.869 ======================= Grid point 255 (91/144) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.000 13.140 -4.683) 13.949 3.458 ( 0.000 -0.113 -4.949) 4.950 3.667 ( 0.000 1.512 0.198) 1.524 3.943 ( 0.000 10.471 -5.230) 11.705 3.954 ( 0.000 10.726 -1.734) 10.865 4.042 ( 0.000 -4.826 -8.006) 9.349 4.620 ( 0.000 -11.012 10.486) 15.206 5.029 ( 0.000 -19.959 4.092) 20.374 6.634 ( 0.000 6.386 1.317) 6.521 6.781 ( 0.000 -0.638 -1.017) 1.200 6.997 ( 0.000 7.475 1.777) 7.683 7.010 ( 0.000 8.597 -3.127) 9.148 7.600 ( 0.000 8.877 -5.362) 10.371 7.776 ( 0.000 1.425 -0.361) 1.470 8.121 ( 0.000 7.068 -2.714) 7.571 8.213 ( 0.000 0.334 -1.677) 1.710 8.819 ( 0.000 5.895 -3.768) 6.996 8.967 ( 0.000 1.919 -11.115) 11.279 9.523 ( 0.000 5.708 -8.253) 10.035 9.649 ( 0.000 -2.131 -6.032) 6.398 9.812 ( 0.000 2.049 -0.987) 2.275 9.822 ( 0.000 -0.258 -0.287) 0.386 9.981 ( 0.000 -1.680 2.420) 2.945 10.074 ( 0.000 -4.652 -2.001) 5.064 12.119 ( 0.000 8.520 10.056) 13.180 12.386 ( 0.000 4.839 10.296) 11.376 12.521 ( 0.000 -2.268 8.322) 8.626 12.570 ( 0.000 -11.509 2.128) 11.704 12.890 ( 0.000 4.332 -5.394) 6.918 12.950 ( 0.000 0.159 -8.087) 8.088 13.051 ( 0.000 9.752 -3.257) 10.282 13.227 ( 0.000 1.243 -7.195) 7.301 15.375 ( 0.000 -5.400 0.178) 5.403 15.393 ( 0.000 -5.425 1.289) 5.576 15.618 ( 0.000 -6.798 2.116) 7.120 15.701 ( 0.000 -9.492 1.004) 9.545 29.437 ( 0.000 7.545 2.162) 7.849 29.538 ( 0.000 3.798 -0.036) 3.798 29.661 ( 0.000 3.095 1.067) 3.274 29.666 ( 0.000 1.921 1.094) 2.210 31.699 ( 0.000 3.098 -0.418) 3.126 31.737 ( 0.000 5.426 -0.371) 5.438 31.899 ( 0.000 -5.791 -0.047) 5.791 31.999 ( 0.000 -6.436 -1.075) 6.525 83.631 ( 0.000 0.650 2.585) 2.666 83.653 ( 0.000 0.970 2.460) 2.645 84.008 ( 0.000 -9.654 5.194) 10.962 84.037 ( 0.000 -8.679 4.754) 9.896 ======================= Grid point 256 (92/144) ======================= q-point: ( 0.20 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.238 ( 6.098 13.321 -4.609) 15.359 3.510 ( 4.967 -0.176 -5.198) 7.192 3.658 ( -1.347 4.288 -0.950) 4.594 3.876 ( -5.354 4.468 -5.087) 8.631 3.933 ( -0.426 15.525 -1.884) 15.645 4.121 ( 4.128 -2.394 -5.093) 6.979 4.617 ( 1.038 -14.075 9.449) 16.985 4.997 ( -3.662 -20.839 3.765) 21.490 6.649 ( 1.709 7.320 1.331) 7.634 6.813 ( 3.159 -0.470 -1.265) 3.435 6.910 ( -5.509 9.915 -0.033) 11.342 7.046 ( 0.047 4.211 -2.231) 4.766 7.608 ( 1.345 9.388 -3.078) 9.971 7.794 ( 1.721 2.181 -0.444) 2.813 8.017 ( -8.446 6.473 -0.644) 10.661 8.155 ( -6.562 -0.053 -2.183) 6.915 8.888 ( 7.846 7.703 -5.154) 12.143 9.081 ( 9.915 0.442 -11.553) 15.230 9.457 ( -6.642 6.526 -8.732) 12.765 9.600 ( -5.022 -1.033 -8.671) 10.073 9.846 ( 3.895 0.940 1.187) 4.179 9.888 ( 5.444 -1.229 -0.535) 5.606 9.986 ( 0.361 -1.054 1.969) 2.263 10.078 ( 0.147 -4.350 -2.001) 4.790 12.113 ( -0.252 8.480 10.458) 13.466 12.318 ( -5.978 5.754 10.392) 13.298 12.520 ( -0.590 -4.531 7.549) 8.824 12.553 ( -1.602 -10.969 2.724) 11.416 12.900 ( 1.415 5.402 -5.387) 7.759 12.987 ( 3.125 0.652 -6.811) 7.522 13.037 ( -1.131 8.961 -3.733) 9.773 13.205 ( -2.258 1.030 -7.104) 7.525 15.398 ( 2.516 -5.146 0.746) 5.776 15.430 ( 3.533 -5.825 0.832) 6.863 15.602 ( -1.668 -6.767 1.915) 7.228 15.681 ( -2.164 -9.248 0.880) 9.539 29.452 ( 1.544 7.474 2.047) 7.901 29.540 ( 0.028 4.616 0.152) 4.618 29.646 ( -1.138 2.254 1.218) 2.803 29.663 ( -0.600 2.044 0.906) 2.315 31.704 ( 0.522 3.349 -0.380) 3.411 31.736 ( -0.191 5.307 -0.310) 5.319 31.907 ( 0.897 -5.974 -0.230) 6.045 31.989 ( -1.059 -6.418 -1.029) 6.586 83.648 ( 1.699 1.128 2.550) 3.265 83.668 ( 1.488 1.564 2.392) 3.222 83.993 ( -1.385 -10.185 5.220) 11.529 84.020 ( -1.777 -9.217 4.815) 10.550 ======================= Grid point 257 (93/144) ======================= q-point: ( 0.40 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 9.431 12.673 -4.385) 16.394 3.549 ( -5.668 7.580 -3.251) 10.007 3.652 ( 4.740 4.336 -6.206) 8.932 3.764 ( -6.315 5.659 -5.246) 9.971 3.986 ( 6.078 8.645 1.136) 10.629 4.110 ( -5.283 3.859 -0.048) 6.543 4.711 ( 8.720 -20.428 5.247) 22.822 4.884 ( -8.387 -21.923 3.496) 23.731 6.702 ( 4.040 9.166 1.097) 10.077 6.795 ( -5.509 10.218 0.555) 11.622 6.905 ( 5.232 -0.349 -2.370) 5.754 7.002 ( -4.423 0.803 -3.059) 5.438 7.671 ( 5.534 9.914 0.231) 11.357 7.791 ( -5.248 8.887 0.983) 10.368 7.912 ( 1.191 0.392 -0.850) 1.515 8.011 ( -7.591 -0.131 -1.412) 7.722 9.080 ( 11.656 8.207 -7.289) 16.011 9.276 ( 4.834 2.039 -10.774) 11.983 9.299 ( -4.467 5.113 -9.905) 12.008 9.470 ( -8.764 -0.583 -11.242) 14.267 9.927 ( 3.995 0.584 1.819) 4.428 9.976 ( -0.430 0.351 1.788) 1.872 9.998 ( 4.216 -3.073 -1.213) 5.356 10.064 ( -2.051 -3.782 -1.836) 4.678 12.127 ( 2.223 8.134 11.040) 13.892 12.203 ( -5.653 7.168 10.920) 14.233 12.508 ( -0.223 -7.819 5.734) 9.699 12.521 ( -1.528 -9.658 4.222) 10.651 12.941 ( 2.654 7.097 -4.411) 8.767 12.990 ( -2.359 8.137 -3.666) 9.231 13.071 ( 4.124 0.637 -6.806) 7.983 13.147 ( -3.785 0.620 -6.910) 7.903 15.459 ( 3.600 -5.016 1.238) 6.297 15.496 ( 1.693 -5.427 1.078) 5.787 15.571 ( -0.153 -7.659 1.085) 7.737 15.623 ( -3.791 -8.678 0.632) 9.491 29.490 ( 2.336 7.260 1.669) 7.807 29.529 ( -1.470 6.521 0.905) 6.746 29.633 ( 0.064 1.185 1.000) 1.552 29.646 ( -1.032 1.465 0.809) 1.966 31.716 ( 0.733 4.014 -0.293) 4.090 31.729 ( -0.540 4.803 -0.246) 4.840 31.931 ( 1.591 -6.241 -0.591) 6.468 31.963 ( -1.680 -6.367 -0.876) 6.643 83.683 ( 1.652 2.417 2.396) 3.783 83.694 ( 0.702 2.816 2.276) 3.688 83.970 ( -0.576 -11.272 5.244) 12.445 83.982 ( -1.762 -10.668 5.034) 11.927 ======================= Grid point 260 (94/144) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.408 ( 0.000 -6.822 -6.629) 9.512 3.408 ( 0.000 6.822 -6.629) 9.512 3.731 ( 0.000 -8.342 -5.913) 10.225 3.731 ( 0.000 8.342 -5.913) 10.225 4.175 ( 0.000 -6.840 -1.581) 7.020 4.175 ( 0.000 6.840 -1.581) 7.020 4.626 ( 0.000 -16.074 5.484) 16.983 4.626 ( 0.000 16.074 5.484) 16.983 6.733 ( 0.000 -3.697 1.317) 3.925 6.733 ( 0.000 3.697 1.317) 3.925 7.082 ( 0.000 -0.746 -0.617) 0.968 7.082 ( 0.000 0.746 -0.617) 0.968 7.743 ( 0.000 -4.588 -4.344) 6.318 7.743 ( 0.000 4.588 -4.344) 6.318 8.209 ( 0.000 -1.636 -2.298) 2.821 8.209 ( 0.000 1.636 -2.298) 2.821 8.938 ( 0.000 -4.588 -8.173) 9.372 8.938 ( 0.000 4.588 -8.173) 9.372 9.608 ( 0.000 -2.517 -8.070) 8.453 9.608 ( 0.000 2.517 -8.070) 8.453 9.824 ( 0.000 -0.310 -0.644) 0.714 9.824 ( 0.000 0.310 -0.644) 0.714 9.991 ( 0.000 -2.783 0.868) 2.916 9.991 ( 0.000 2.783 0.868) 2.916 12.330 ( 0.000 -11.570 6.058) 13.060 12.330 ( 0.000 11.570 6.058) 13.060 12.467 ( 0.000 -3.191 9.696) 10.208 12.467 ( 0.000 3.191 9.696) 10.208 12.945 ( 0.000 -1.115 -5.806) 5.912 12.945 ( 0.000 1.115 -5.806) 5.912 13.197 ( 0.000 -4.293 -4.826) 6.459 13.197 ( 0.000 4.293 -4.826) 6.459 15.328 ( 0.000 -0.655 0.654) 0.925 15.328 ( 0.000 0.655 0.654) 0.925 15.572 ( 0.000 -2.425 1.601) 2.906 15.572 ( 0.000 2.425 1.601) 2.906 29.547 ( 0.000 -2.869 1.194) 3.108 29.547 ( 0.000 2.869 1.194) 3.108 29.688 ( 0.000 -0.203 1.152) 1.169 29.688 ( 0.000 0.203 1.152) 1.169 31.775 ( 0.000 -3.874 -0.800) 3.956 31.775 ( 0.000 3.874 -0.800) 3.956 31.874 ( 0.000 -5.426 -0.297) 5.434 31.874 ( 0.000 5.426 -0.297) 5.434 83.655 ( 0.000 -1.090 2.781) 2.987 83.655 ( 0.000 1.090 2.781) 2.987 83.924 ( 0.000 -1.552 3.310) 3.656 83.924 ( 0.000 1.552 3.310) 3.656 ======================= Grid point 262 (95/144) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 5.324 -6.454 -6.942) 10.872 3.460 ( 5.324 6.454 -6.942) 10.872 3.747 ( 0.671 -7.618 -6.437) 9.996 3.747 ( 0.671 7.618 -6.437) 9.996 4.185 ( 1.884 -8.365 -0.265) 8.579 4.185 ( 1.884 8.365 -0.265) 8.579 4.579 ( -5.053 -16.674 5.097) 18.153 4.579 ( -5.053 16.674 5.097) 18.153 6.761 ( 3.008 -4.101 1.063) 5.196 6.761 ( 3.008 4.101 1.063) 5.196 7.046 ( -3.768 -3.544 -0.818) 5.237 7.046 ( -3.768 3.544 -0.818) 5.237 7.762 ( 2.198 -5.024 -3.189) 6.343 7.762 ( 2.198 5.024 -3.189) 6.343 8.124 ( -7.840 -3.443 -1.376) 8.672 8.124 ( -7.840 3.443 -1.376) 8.672 9.031 ( 8.868 -5.360 -9.385) 13.980 9.031 ( 8.868 5.360 -9.385) 13.980 9.561 ( -5.181 -3.304 -10.144) 11.860 9.561 ( -5.181 3.304 -10.144) 11.860 9.862 ( 3.880 -0.996 0.890) 4.103 9.862 ( 3.880 0.996 0.890) 4.103 10.002 ( 0.778 -2.570 0.502) 2.731 10.002 ( 0.778 2.570 0.502) 2.731 12.319 ( -0.862 -11.116 6.721) 13.019 12.319 ( -0.862 11.116 6.721) 13.019 12.428 ( -3.628 -4.936 9.335) 11.166 12.428 ( -3.628 4.936 9.335) 11.166 12.975 ( 2.982 -1.929 -5.418) 6.478 12.975 ( 2.982 1.929 -5.418) 6.478 13.175 ( -2.279 -4.090 -4.848) 6.740 13.175 ( -2.279 4.090 -4.848) 6.740 15.358 ( 3.027 -1.044 0.691) 3.276 15.358 ( 3.027 1.044 0.691) 3.276 15.555 ( -1.846 -2.346 1.456) 3.321 15.555 ( -1.846 2.346 1.456) 3.321 29.560 ( 1.363 -2.691 1.194) 3.244 29.560 ( 1.363 2.691 1.194) 3.244 29.674 ( -1.433 -0.770 1.160) 1.998 29.674 ( -1.433 0.770 1.160) 1.998 31.785 ( 1.014 -4.019 -0.755) 4.213 31.785 ( 1.014 4.019 -0.755) 4.213 31.864 ( -0.945 -5.273 -0.349) 5.368 31.864 ( -0.945 5.273 -0.349) 5.368 83.681 ( 2.677 -1.171 2.829) 4.067 83.681 ( 2.677 1.171 2.829) 4.067 83.899 ( -2.664 -1.534 3.257) 4.479 83.899 ( -2.664 1.534 3.257) 4.479 ======================= Grid point 264 (96/144) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 7.551 -5.477 -7.405) 11.910 3.587 ( 7.551 5.477 -7.405) 11.910 3.711 ( -4.897 -5.307 -7.378) 10.324 3.711 ( -4.897 5.307 -7.378) 10.324 4.277 ( 7.956 -14.013 2.330) 16.282 4.277 ( 7.956 14.013 2.330) 16.282 4.445 ( -8.888 -16.905 4.047) 19.523 4.445 ( -8.888 16.905 4.047) 19.523 6.841 ( 5.432 -4.875 0.298) 7.305 6.841 ( 5.432 4.875 0.298) 7.305 6.951 ( -5.940 -5.057 -0.602) 7.824 6.951 ( -5.940 5.057 -0.602) 7.824 7.833 ( 5.506 -5.101 -1.315) 7.620 7.833 ( 5.506 5.101 -1.315) 7.620 7.964 ( -8.385 -4.481 -0.600) 9.526 7.964 ( -8.385 4.481 -0.600) 9.526 9.225 ( 11.141 -5.313 -11.004) 16.536 9.225 ( 11.141 5.313 -11.004) 16.536 9.422 ( -9.430 -4.470 -11.446) 15.489 9.422 ( -9.430 4.470 -11.446) 15.489 9.946 ( 4.301 -1.610 0.971) 4.694 9.946 ( 4.301 1.610 0.971) 4.694 10.001 ( -1.375 -2.143 0.398) 2.578 10.001 ( -1.375 2.143 0.398) 2.578 12.315 ( 0.801 -9.761 7.985) 12.636 12.315 ( 0.801 9.761 7.985) 12.636 12.356 ( -3.490 -7.579 8.823) 12.144 12.356 ( -3.490 7.579 8.823) 12.144 13.043 ( 4.053 -2.839 -5.011) 7.043 13.043 ( 4.053 2.839 -5.011) 7.043 13.118 ( -3.731 -3.560 -4.889) 7.106 13.118 ( -3.731 3.560 -4.889) 7.106 15.430 ( 4.242 -1.635 0.842) 4.624 15.430 ( 4.242 1.635 0.842) 4.624 15.504 ( -3.523 -2.087 1.133) 4.249 15.504 ( -3.523 2.088 1.133) 4.249 29.595 ( 2.239 -2.200 1.190) 3.357 29.595 ( 2.239 2.200 1.190) 3.357 29.639 ( -2.282 -1.512 1.177) 2.980 29.639 ( -2.282 1.512 1.177) 2.980 31.810 ( 1.605 -4.400 -0.636) 4.727 31.810 ( 1.605 4.400 -0.636) 4.727 31.840 ( -1.562 -4.878 -0.481) 5.145 31.840 ( -1.562 4.878 -0.481) 5.145 83.748 ( 4.324 -1.333 2.958) 5.406 83.748 ( 4.324 1.333 2.958) 5.406 83.831 ( -4.316 -1.466 3.121) 5.525 83.831 ( -4.316 1.466 3.121) 5.525 ======================= Grid point 300 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 0.000 15.284) 15.284 2.155 ( 0.000 0.000 19.694) 19.694 2.427 ( 0.000 0.000 -6.585) 6.585 2.770 ( 0.000 0.000 -11.032) 11.032 3.208 ( 0.000 0.000 10.334) 10.334 3.571 ( 0.000 0.000 -7.347) 7.347 3.644 ( 0.000 0.000 16.813) 16.813 3.813 ( 0.000 0.000 3.285) 3.285 4.926 ( 0.000 0.000 4.470) 4.470 5.052 ( 0.000 0.000 -0.992) 0.992 6.253 ( 0.000 0.000 14.836) 14.836 6.524 ( 0.000 0.000 -0.205) 0.205 7.556 ( 0.000 0.000 1.147) 1.147 7.608 ( 0.000 0.000 -1.353) 1.353 7.743 ( 0.000 0.000 5.113) 5.113 8.022 ( 0.000 0.000 -11.485) 11.485 8.358 ( 0.000 0.000 0.666) 0.666 8.391 ( 0.000 0.000 -0.981) 0.981 8.777 ( 0.000 0.000 1.255) 1.255 8.822 ( 0.000 0.000 1.672) 1.672 9.920 ( 0.000 0.000 -5.065) 5.065 10.027 ( 0.000 0.000 -9.022) 9.022 10.356 ( 0.000 0.000 9.767) 9.767 10.861 ( 0.000 0.000 -17.332) 17.332 11.612 ( 0.000 0.000 1.178) 1.178 11.650 ( 0.000 0.000 -0.652) 0.652 11.690 ( 0.000 0.000 1.442) 1.442 11.741 ( 0.000 0.000 -0.962) 0.962 12.523 ( 0.000 0.000 7.091) 7.091 12.778 ( 0.000 0.000 -4.714) 4.714 13.132 ( 0.000 0.000 13.947) 13.947 13.792 ( 0.000 0.000 -16.984) 16.984 16.384 ( 0.000 0.000 10.607) 10.607 16.555 ( 0.000 0.000 -0.761) 0.761 17.263 ( 0.000 0.000 3.267) 3.267 17.418 ( 0.000 0.000 -4.177) 4.177 28.466 ( 0.000 0.000 6.795) 6.795 28.470 ( 0.000 0.000 5.673) 5.673 28.701 ( 0.000 0.000 -4.531) 4.531 28.742 ( 0.000 0.000 -5.839) 5.839 31.546 ( 0.000 0.000 5.739) 5.739 31.709 ( 0.000 0.000 -1.953) 1.953 32.539 ( 0.000 0.000 -0.407) 0.407 32.561 ( 0.000 0.000 -1.386) 1.386 84.031 ( 0.000 0.000 10.121) 10.121 84.233 ( 0.000 0.000 1.647) 1.647 86.275 ( 0.000 0.000 29.323) 29.323 87.370 ( 0.000 0.000 -23.911) 23.911 ======================= Grid point 301 (98/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -5.965 0.000 12.323) 13.691 2.202 ( 4.954 0.000 17.654) 18.336 2.258 ( -15.443 0.000 -4.967) 16.222 2.682 ( -8.173 0.000 -4.474) 9.318 3.273 ( 5.841 0.000 4.856) 7.596 3.550 ( -2.283 0.000 -6.753) 7.128 3.730 ( 8.052 0.000 14.891) 16.929 3.911 ( 7.483 0.000 2.490) 7.887 4.893 ( 0.124 0.000 9.516) 9.517 5.124 ( 3.901 0.000 -0.686) 3.961 6.263 ( 1.384 0.000 12.870) 12.944 6.496 ( -3.062 0.000 0.399) 3.088 7.561 ( 0.493 0.000 0.931) 1.054 7.603 ( -0.541 0.000 -1.087) 1.215 7.776 ( 3.604 0.000 3.115) 4.764 8.013 ( -1.166 0.000 -10.999) 11.061 8.361 ( 0.348 0.000 0.481) 0.594 8.388 ( -0.310 0.000 -0.848) 0.903 8.716 ( -3.912 0.000 4.580) 6.023 8.815 ( -2.422 0.000 -1.495) 2.846 9.926 ( 1.294 0.000 -2.770) 3.057 10.066 ( 1.980 0.000 -5.118) 5.488 10.381 ( 3.882 0.000 3.231) 5.051 10.829 ( -3.687 0.000 -17.378) 17.765 11.616 ( 0.367 0.000 1.139) 1.196 11.646 ( -0.403 0.000 -0.128) 0.423 11.695 ( 0.528 0.000 0.863) 1.012 11.736 ( -0.485 0.000 -0.868) 0.994 12.535 ( 1.461 0.000 7.675) 7.813 12.752 ( -3.140 0.000 0.472) 3.175 13.185 ( 5.913 0.000 6.813) 9.021 13.719 ( -7.315 0.000 -15.438) 17.084 16.495 ( 11.301 0.000 9.391) 14.694 16.629 ( 7.567 0.000 -0.220) 7.570 17.200 ( -6.574 0.000 2.897) 7.184 17.328 ( -9.401 0.000 -2.748) 9.794 28.466 ( 0.027 0.000 6.692) 6.693 28.469 ( -0.053 0.000 5.790) 5.790 28.705 ( 0.422 0.000 -4.664) 4.683 28.738 ( -0.396 0.000 -5.721) 5.734 31.566 ( 2.033 0.000 4.603) 5.032 31.697 ( -1.241 0.000 -1.534) 1.973 32.540 ( 0.140 0.000 -0.416) 0.439 32.559 ( -0.238 0.000 -1.266) 1.288 84.043 ( 1.315 0.000 9.900) 9.987 84.205 ( -2.796 0.000 3.334) 4.351 86.363 ( 9.328 0.000 24.337) 26.063 87.244 ( -12.824 0.000 -17.978) 22.083 ======================= Grid point 302 (99/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 1.191 0.000 5.591) 5.716 1.968 ( -13.133 0.000 -0.922) 13.166 2.331 ( 8.534 0.000 12.201) 14.889 2.507 ( -9.932 0.000 4.585) 10.939 3.389 ( 6.009 0.000 -1.235) 6.135 3.487 ( -4.403 0.000 -4.853) 6.553 3.889 ( 7.856 0.000 9.979) 12.701 3.982 ( -1.038 0.000 4.197) 4.323 4.980 ( 8.291 0.000 11.987) 14.575 5.122 ( -4.742 0.000 5.751) 7.454 6.316 ( 4.364 0.000 7.360) 8.557 6.413 ( -5.437 0.000 2.577) 6.016 7.574 ( 0.820 0.000 0.347) 0.890 7.590 ( -0.850 0.000 -0.422) 0.949 7.870 ( 5.891 0.000 -2.012) 6.225 7.967 ( -3.947 0.000 -7.751) 8.698 8.370 ( 0.542 0.000 0.028) 0.543 8.380 ( -0.519 0.000 -0.477) 0.705 8.680 ( 0.633 0.000 3.387) 3.445 8.738 ( -4.793 0.000 -0.607) 4.831 9.975 ( 3.786 0.000 1.143) 3.955 10.049 ( -3.348 0.000 2.088) 3.946 10.524 ( 10.419 0.000 -9.958) 14.412 10.713 ( -8.749 0.000 -15.905) 18.152 11.625 ( 0.599 0.000 0.981) 1.150 11.637 ( -0.614 0.000 0.590) 0.851 11.708 ( 0.813 0.000 0.003) 0.813 11.724 ( -0.793 0.000 -0.567) 0.975 12.583 ( 3.712 0.000 8.238) 9.036 12.669 ( -5.104 0.000 6.580) 8.327 13.343 ( 10.357 0.000 -3.977) 11.094 13.545 ( -10.691 0.000 -11.157) 15.452 16.765 ( 16.270 0.000 6.828) 17.645 16.814 ( 11.480 0.000 1.239) 11.547 17.033 ( -10.793 0.000 1.783) 10.939 17.089 ( -15.312 0.000 0.139) 15.313 28.467 ( 0.056 0.000 6.423) 6.423 28.468 ( -0.072 0.000 6.081) 6.082 28.715 ( 0.667 0.000 -5.002) 5.046 28.728 ( -0.652 0.000 -5.405) 5.444 31.614 ( 2.821 0.000 2.114) 3.525 31.663 ( -2.339 0.000 -0.179) 2.346 32.545 ( 0.356 0.000 -0.573) 0.675 32.552 ( -0.416 0.000 -0.931) 1.020 84.081 ( 2.744 0.000 8.897) 9.310 84.142 ( -3.636 0.000 6.554) 7.495 86.607 ( 16.258 0.000 11.810) 20.095 86.940 ( -18.391 0.000 -3.908) 18.802 ======================= Grid point 305 (100/144) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.000 7.277 13.660) 15.478 2.361 ( 0.000 7.733 6.322) 9.988 2.561 ( 0.000 21.408 6.504) 22.374 3.022 ( 0.000 20.672 -8.793) 22.464 3.373 ( 0.000 14.026 10.956) 17.798 3.729 ( 0.000 13.207 -6.012) 14.511 3.771 ( 0.000 13.220 13.568) 18.943 3.936 ( 0.000 14.306 0.025) 14.306 4.957 ( 0.000 3.902 4.171) 5.712 5.075 ( 0.000 2.794 -0.539) 2.846 6.209 ( 0.000 -4.098 13.967) 14.556 6.487 ( 0.000 -3.238 -1.176) 3.445 7.648 ( 0.000 2.382 0.909) 2.550 7.684 ( 0.000 4.444 1.352) 4.645 7.748 ( 0.000 6.719 5.050) 8.405 8.056 ( 0.000 4.527 -10.557) 11.487 8.384 ( 0.000 1.832 2.387) 3.009 8.473 ( 0.000 6.800 -2.233) 7.157 8.801 ( 0.000 3.109 -1.571) 3.484 8.804 ( 0.000 -1.251 1.191) 1.727 9.900 ( 0.000 -1.801 -5.277) 5.576 9.970 ( 0.000 -5.009 -7.555) 9.065 10.330 ( 0.000 -2.419 9.407) 9.713 10.769 ( 0.000 -7.803 -13.353) 15.465 11.671 ( 0.000 5.343 1.004) 5.437 11.736 ( 0.000 4.840 -2.336) 5.374 11.751 ( 0.000 6.363 1.044) 6.448 11.807 ( 0.000 8.765 -2.039) 8.999 12.542 ( 0.000 1.572 6.819) 6.998 12.777 ( 0.000 -0.123 -4.166) 4.167 13.100 ( 0.000 -3.105 12.003) 12.398 13.718 ( 0.000 -7.042 -16.361) 17.812 16.332 ( 0.000 -4.888 9.791) 10.944 16.493 ( 0.000 -5.977 -0.799) 6.030 17.169 ( 0.000 -8.968 2.975) 9.449 17.301 ( 0.000 -11.104 -3.171) 11.548 28.521 ( 0.000 5.205 6.467) 8.302 28.545 ( 0.000 6.984 4.573) 8.348 28.761 ( 0.000 5.771 -4.005) 7.024 28.800 ( 0.000 5.611 -5.574) 7.909 31.545 ( 0.000 -0.034 5.442) 5.443 31.698 ( 0.000 -0.971 -1.789) 2.035 32.515 ( 0.000 -2.265 -0.529) 2.326 32.531 ( 0.000 -2.895 -1.219) 3.141 84.004 ( 0.000 -2.553 9.363) 9.705 84.179 ( 0.000 -5.037 2.116) 5.464 86.134 ( 0.000 -13.275 27.316) 30.370 87.094 ( 0.000 -25.588 -18.229) 31.417 ======================= Grid point 306 (101/144) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -6.018 7.329 11.239) 14.706 2.252 ( -12.258 2.986 -0.598) 12.631 2.554 ( 2.664 27.383 13.595) 30.688 2.969 ( -5.979 23.760 -3.681) 24.776 3.453 ( 7.336 15.432 5.584) 17.976 3.729 ( -0.050 14.488 -4.719) 15.238 3.824 ( 4.393 10.740 10.660) 15.757 3.989 ( 4.306 9.653 0.715) 10.594 4.931 ( 0.720 4.545 9.093) 10.191 5.151 ( 4.251 3.168 -0.660) 5.343 6.218 ( 1.289 -4.215 12.086) 12.864 6.458 ( -3.213 -3.410 -0.530) 4.715 7.641 ( 0.059 2.167 1.516) 2.645 7.699 ( 0.274 10.260 0.752) 10.291 7.766 ( 2.617 0.225 3.477) 4.357 8.032 ( -2.754 3.166 -9.901) 10.754 8.393 ( 1.196 2.279 2.231) 3.406 8.469 ( -0.341 7.184 -1.667) 7.382 8.741 ( -3.042 2.842 2.075) 4.651 8.816 ( -1.645 0.775 -3.168) 3.653 9.904 ( 1.339 -2.022 -2.882) 3.767 10.026 ( 3.556 -3.571 -5.663) 7.581 10.334 ( 1.668 -4.146 4.971) 6.685 10.735 ( -3.887 -8.057 -13.522) 16.213 11.677 ( 0.609 5.541 1.034) 5.669 11.723 ( -0.819 5.770 -0.385) 5.840 11.768 ( 1.183 6.001 -0.687) 6.155 11.807 ( -0.009 8.761 -2.026) 8.993 12.550 ( 1.005 1.261 7.088) 7.269 12.744 ( -3.547 -0.640 0.460) 3.633 13.153 ( 5.742 -3.120 5.569) 8.586 13.650 ( -6.821 -6.581 -14.847) 17.615 16.437 ( 10.604 -5.544 8.693) 14.790 16.564 ( 7.233 -6.292 -0.315) 9.592 17.109 ( -6.308 -8.722 2.655) 11.087 17.217 ( -8.763 -10.528 -1.966) 13.838 28.522 ( 0.198 5.350 6.321) 8.284 28.542 ( -0.293 6.780 4.803) 8.314 28.765 ( 0.412 5.765 -4.172) 7.128 28.796 ( -0.371 5.628 -5.433) 7.832 31.564 ( 1.882 -0.177 4.399) 4.788 31.687 ( -1.187 -0.922 -1.383) 2.043 32.516 ( 0.081 -2.325 -0.513) 2.382 32.529 ( -0.160 -2.816 -1.132) 3.039 84.014 ( 1.159 -2.681 9.174) 9.628 84.155 ( -2.393 -4.657 3.535) 6.318 86.214 ( 8.291 -14.182 22.956) 28.229 86.985 ( -11.044 -24.006 -13.339) 29.600 ======================= Grid point 307 (102/144) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.270 6.926 5.969) 9.147 2.007 ( -11.162 4.937 0.853) 12.235 2.660 ( 7.801 27.734 11.158) 30.896 2.822 ( -8.947 26.583 4.433) 28.397 3.592 ( 6.733 17.780 -1.093) 19.044 3.692 ( -3.893 17.873 -4.866) 18.928 3.933 ( 6.391 5.221 8.588) 11.911 4.020 ( -1.922 4.980 3.123) 6.184 5.023 ( 8.132 4.959 11.182) 14.688 5.157 ( -4.225 4.067 5.298) 7.903 6.271 ( 4.490 -4.200 6.571) 8.999 6.372 ( -5.657 -3.797 1.706) 7.024 7.656 ( 1.414 4.623 1.747) 5.141 7.685 ( -1.406 8.948 1.894) 9.254 7.847 ( 5.552 -1.998 -1.851) 6.184 7.953 ( -5.361 -0.183 -6.587) 8.495 8.428 ( 2.201 4.970 0.778) 5.491 8.459 ( -0.959 7.304 -0.630) 7.394 8.711 ( 0.312 3.537 0.587) 3.599 8.756 ( -3.866 2.105 -2.541) 5.082 9.956 ( 3.963 -1.715 0.836) 4.399 10.030 ( -3.013 -1.628 1.393) 3.697 10.441 ( 9.261 -7.335 -7.309) 13.892 10.618 ( -8.504 -8.207 -12.618) 17.289 11.692 ( 0.887 6.056 0.971) 6.197 11.708 ( -0.802 6.297 0.566) 6.373 11.789 ( 0.958 6.768 -1.312) 6.960 11.803 ( -0.505 8.098 -1.784) 8.307 12.586 ( 2.986 0.348 7.167) 7.772 12.661 ( -4.732 -0.579 5.563) 7.326 13.302 ( 9.589 -4.047 -3.952) 11.133 13.489 ( -9.918 -5.445 -10.673) 15.554 16.691 ( 15.392 -7.060 6.337) 18.081 16.741 ( 11.022 -7.045 0.963) 13.117 16.948 ( -10.495 -8.118 1.813) 13.392 16.993 ( -14.336 -9.062 0.433) 16.965 28.528 ( 0.357 5.749 5.913) 8.255 28.535 ( -0.413 6.290 5.341) 8.262 28.775 ( 0.636 5.734 -4.584) 7.368 28.787 ( -0.612 5.677 -5.061) 7.630 31.608 ( 2.640 -0.487 2.086) 3.400 31.655 ( -2.217 -0.764 -0.081) 2.346 32.519 ( 0.260 -2.466 -0.604) 2.552 32.525 ( -0.309 -2.645 -0.875) 2.803 84.048 ( 2.399 -3.105 8.304) 9.185 84.101 ( -3.144 -3.840 6.279) 8.004 86.429 ( 14.359 -16.722 12.019) 25.105 86.721 ( -16.044 -20.392 -1.518) 25.991 ======================= Grid point 310 (103/144) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 14.028 9.887) 17.162 2.478 ( 0.000 6.746 0.999) 6.819 3.026 ( 0.000 16.054 13.342) 20.874 3.356 ( 0.000 8.477 -2.848) 8.942 3.767 ( 0.000 22.955 10.227) 25.130 4.128 ( 0.000 23.519 -7.063) 24.557 4.153 ( 0.000 23.590 8.219) 24.981 4.378 ( 0.000 27.807 -5.876) 28.422 5.159 ( 0.000 17.972 3.223) 18.258 5.215 ( 0.000 12.520 1.817) 12.651 6.099 ( 0.000 -6.039 11.348) 12.855 6.401 ( 0.000 -5.201 -3.526) 6.283 7.636 ( 0.000 -4.406 4.987) 6.655 7.663 ( 0.000 -0.573 2.358) 2.427 8.003 ( 0.000 10.175 5.790) 11.707 8.212 ( 0.000 9.195 -5.828) 10.886 8.415 ( 0.000 2.086 1.594) 2.625 8.573 ( 0.000 0.398 -4.401) 4.419 8.837 ( 0.000 6.722 -0.027) 6.722 8.931 ( 0.000 9.558 -5.944) 11.255 9.856 ( 0.000 -2.239 -5.514) 5.951 9.860 ( 0.000 -4.880 -5.198) 7.130 10.264 ( 0.000 -3.778 8.232) 9.058 10.585 ( 0.000 -9.594 -7.733) 12.322 11.821 ( 0.000 9.482 -0.517) 9.496 11.842 ( 0.000 6.560 -1.151) 6.660 11.949 ( 0.000 12.393 1.166) 12.448 12.052 ( 0.000 12.974 -4.028) 13.585 12.576 ( 0.000 1.654 6.297) 6.510 12.771 ( 0.000 -0.478 -2.798) 2.839 13.012 ( 0.000 -5.269 6.701) 8.524 13.517 ( 0.000 -12.233 -14.780) 19.186 16.193 ( 0.000 -8.453 7.602) 11.369 16.320 ( 0.000 -10.641 -0.758) 10.668 16.914 ( 0.000 -15.547 2.306) 15.717 16.995 ( 0.000 -17.888 -1.306) 17.936 28.667 ( 0.000 8.881 5.567) 10.481 28.731 ( 0.000 10.629 2.157) 10.846 28.927 ( 0.000 10.154 -2.614) 10.485 28.964 ( 0.000 10.161 -4.605) 11.156 31.547 ( 0.000 0.225 4.603) 4.608 31.673 ( 0.000 -1.415 -1.378) 1.976 32.446 ( 0.000 -5.242 -0.782) 5.300 32.449 ( 0.000 -4.182 -0.856) 4.269 83.932 ( 0.000 -4.261 7.432) 8.567 84.045 ( 0.000 -7.657 2.996) 8.222 85.765 ( 0.000 -21.905 22.168) 31.165 86.422 ( 0.000 -37.642 -7.441) 38.370 ======================= Grid point 311 (104/144) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -5.816 14.064 8.480) 17.422 2.370 ( -10.152 8.608 0.349) 13.315 3.075 ( 5.414 17.797 14.600) 23.648 3.393 ( 1.083 12.417 -0.941) 12.500 3.823 ( 5.928 18.683 7.731) 21.071 4.116 ( -1.270 21.462 -5.918) 22.299 4.151 ( 0.639 23.689 7.776) 24.941 4.378 ( -0.893 27.277 -5.773) 27.896 5.146 ( 1.936 18.059 7.425) 19.622 5.303 ( 5.236 13.476 -0.192) 14.459 6.104 ( 0.906 -6.474 9.883) 11.849 6.366 ( -3.716 -5.492 -2.789) 7.194 7.635 ( 1.108 -2.502 3.937) 4.795 7.706 ( 3.473 -2.878 1.949) 4.914 7.947 ( -4.832 8.168 5.099) 10.773 8.146 ( -7.364 5.877 -4.425) 10.409 8.442 ( 4.493 3.235 2.900) 6.250 8.623 ( 3.246 6.398 -4.298) 8.363 8.828 ( -0.844 6.065 -1.295) 6.259 8.912 ( -2.143 9.234 -6.425) 11.451 9.854 ( 1.844 -2.549 -2.884) 4.268 9.944 ( 5.983 -3.728 -6.147) 9.353 10.236 ( -2.124 -4.911 6.730) 8.598 10.547 ( -4.232 -9.636 -8.048) 13.249 11.819 ( 0.530 8.063 0.703) 8.110 11.867 ( 1.699 8.655 -1.118) 8.891 11.950 ( 0.173 11.753 0.600) 11.770 12.043 ( -1.074 12.287 -3.591) 12.846 12.579 ( 0.530 1.630 5.795) 6.043 12.734 ( -3.528 -0.041 -0.401) 3.551 13.060 ( 4.935 -5.829 2.588) 8.064 13.462 ( -5.555 -11.504 -13.336) 18.468 16.280 ( 8.820 -9.469 6.791) 14.615 16.382 ( 6.334 -11.168 -0.407) 12.845 16.860 ( -5.575 -15.118 2.091) 16.249 16.926 ( -7.197 -17.039 -0.569) 18.505 28.673 ( 0.558 9.053 5.323) 10.516 28.724 ( -0.717 10.471 2.599) 10.812 28.931 ( 0.391 10.137 -2.856) 10.539 28.961 ( -0.362 10.141 -4.434) 11.074 31.561 ( 1.498 0.002 3.785) 4.071 31.663 ( -1.019 -1.312 -1.017) 1.948 32.445 ( -0.045 -4.867 -0.683) 4.914 32.449 ( 0.007 -4.536 -0.872) 4.620 83.940 ( 0.807 -4.421 7.321) 8.590 84.030 ( -1.433 -7.126 3.822) 8.212 85.821 ( 5.826 -23.198 19.224) 30.686 86.351 ( -7.329 -35.812 -4.507) 36.831 ======================= Grid point 312 (105/144) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.799 13.969 5.382) 14.991 2.183 ( -8.003 12.024 2.119) 14.598 3.207 ( 7.959 19.624 12.184) 24.432 3.343 ( -5.888 18.306 5.982) 20.138 3.955 ( 7.036 13.917 2.240) 15.755 4.062 ( -4.387 14.939 -2.258) 15.732 4.213 ( 5.561 26.816 3.290) 27.583 4.322 ( -5.085 26.485 -2.781) 27.112 5.238 ( 6.804 17.470 8.105) 20.425 5.338 ( -2.299 15.171 3.631) 15.768 6.155 ( 4.846 -6.889 4.616) 9.605 6.268 ( -6.414 -6.216 -0.412) 8.942 7.687 ( 4.151 -1.813 2.704) 5.275 7.754 ( -0.727 -3.834 1.007) 4.030 7.884 ( 0.943 5.488 3.445) 6.548 7.989 ( -8.244 2.366 -0.544) 8.594 8.555 ( 6.477 7.203 1.463) 9.797 8.643 ( -1.972 9.959 -1.009) 10.202 8.820 ( 0.646 6.062 -4.858) 7.795 8.859 ( -3.043 8.741 -6.432) 11.271 9.917 ( 4.637 -1.725 0.272) 4.955 9.997 ( -2.206 -1.294 -0.148) 2.562 10.267 ( 6.972 -8.729 -3.023) 11.573 10.427 ( -8.338 -9.551 -7.802) 14.887 11.845 ( 2.010 8.429 1.706) 8.831 11.878 ( -0.930 9.711 1.006) 9.807 11.967 ( 1.880 10.445 -1.439) 10.710 12.010 ( -2.325 10.942 -2.558) 11.475 12.603 ( 2.181 1.586 4.207) 4.997 12.661 ( -3.866 1.037 2.175) 4.556 13.181 ( 7.652 -7.570 -3.856) 11.433 13.331 ( -7.979 -9.725 -9.433) 15.723 16.492 ( 12.984 -11.883 5.009) 18.300 16.538 ( 9.738 -12.458 0.469) 15.819 16.717 ( -9.519 -14.002 1.815) 17.028 16.742 ( -11.815 -14.826 0.746) 18.973 28.687 ( 0.962 9.500 4.624) 10.609 28.707 ( -1.057 10.044 3.604) 10.723 28.940 ( 0.594 10.109 -3.404) 10.683 28.952 ( -0.578 10.109 -3.988) 10.883 31.597 ( 2.156 -0.505 1.926) 2.935 31.636 ( -1.864 -0.998 0.114) 2.118 32.446 ( 0.103 -4.713 -0.655) 4.760 32.448 ( -0.126 -4.655 -0.769) 4.720 83.962 ( 1.599 -4.976 6.771) 8.554 83.997 ( -1.980 -5.984 5.488) 8.357 85.972 ( 10.007 -26.699 11.823) 30.867 86.173 ( -10.930 -31.446 2.893) 33.417 ======================= Grid point 315 (106/144) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 0.000 18.866 5.360) 19.612 2.649 ( 0.000 9.586 3.576) 10.232 3.231 ( 0.000 6.774 10.734) 12.693 3.428 ( 0.000 0.590 -0.905) 1.080 4.025 ( 0.000 2.259 7.149) 7.498 4.384 ( 0.000 2.039 -9.552) 9.768 4.820 ( 0.000 38.469 7.054) 39.110 5.118 ( 0.000 41.142 -6.934) 41.722 5.529 ( 0.000 10.526 10.707) 15.015 5.682 ( 0.000 30.467 2.144) 30.543 6.040 ( 0.000 5.378 1.610) 5.614 6.274 ( 0.000 -7.071 -6.746) 9.773 7.534 ( 0.000 -5.116 6.428) 8.215 7.653 ( 0.000 0.147 2.658) 2.662 8.066 ( 0.000 -2.509 10.309) 10.610 8.337 ( 0.000 0.558 -2.229) 2.298 8.507 ( 0.000 5.927 -3.036) 6.659 8.544 ( 0.000 0.265 -6.075) 6.081 9.038 ( 0.000 10.796 -0.744) 10.821 9.160 ( 0.000 11.898 -6.539) 13.576 9.794 ( 0.000 -1.579 -3.967) 4.269 9.818 ( 0.000 -1.371 -4.583) 4.784 10.187 ( 0.000 -3.589 5.868) 6.879 10.393 ( 0.000 -8.939 -3.779) 9.705 12.007 ( 0.000 9.403 1.397) 9.506 12.058 ( 0.000 13.408 -2.105) 13.572 12.226 ( 0.000 14.035 0.956) 14.068 12.264 ( 0.000 6.076 2.283) 6.491 12.636 ( 0.000 5.508 1.269) 5.652 12.759 ( 0.000 -0.630 -0.951) 1.141 12.904 ( 0.000 -4.788 0.085) 4.789 13.242 ( 0.000 -14.149 -12.643) 18.975 15.999 ( 0.000 -10.346 4.757) 11.387 16.073 ( 0.000 -13.158 -0.402) 13.164 16.561 ( 0.000 -18.331 1.749) 18.415 16.608 ( 0.000 -19.179 -0.251) 19.180 28.871 ( 0.000 10.797 4.550) 11.716 28.960 ( 0.000 11.512 0.089) 11.513 29.156 ( 0.000 11.805 -1.077) 11.854 29.194 ( 0.000 11.801 -3.164) 12.217 31.558 ( 0.000 0.946 3.355) 3.486 31.646 ( 0.000 -1.073 -0.887) 1.392 32.323 ( 0.000 -6.692 -0.214) 6.695 32.349 ( 0.000 -5.520 -1.283) 5.667 83.839 ( 0.000 -4.690 5.121) 6.944 83.888 ( 0.000 -7.263 3.361) 8.003 85.283 ( 0.000 -24.355 15.771) 29.015 85.645 ( 0.000 -36.924 0.282) 36.925 ======================= Grid point 316 (107/144) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -5.851 16.866 5.658) 18.727 2.598 ( -5.896 14.062 1.744) 15.348 3.288 ( 6.082 6.042 12.005) 14.752 3.499 ( 4.763 0.868 -0.672) 4.888 4.033 ( 1.659 1.892 7.895) 8.286 4.355 ( -3.286 3.345 -6.561) 8.064 4.855 ( 3.456 38.710 5.210) 39.212 5.096 ( -2.431 40.308 -6.859) 40.960 5.564 ( 4.136 12.857 10.716) 17.241 5.731 ( 4.201 27.801 0.985) 28.134 6.025 ( -1.358 3.856 1.310) 4.293 6.238 ( -3.868 -6.421 -6.286) 9.783 7.556 ( 2.340 -4.676 5.865) 7.857 7.661 ( 0.809 -1.038 2.509) 2.833 8.000 ( -5.421 -1.887 7.988) 9.836 8.197 ( -11.438 -0.920 -2.163) 11.677 8.540 ( 7.320 5.422 1.224) 9.191 8.723 ( 10.373 3.984 -7.600) 13.462 8.997 ( -4.089 9.071 -0.699) 9.975 9.136 ( -2.704 11.396 -7.266) 13.784 9.818 ( 2.849 -0.724 -2.567) 3.902 9.889 ( 6.738 -1.664 -5.209) 8.678 10.148 ( -3.762 -3.512 5.648) 7.641 10.360 ( -3.625 -8.311 -4.257) 10.016 11.996 ( -0.327 9.042 2.829) 9.480 12.079 ( 1.186 11.564 -1.605) 11.735 12.209 ( -1.567 11.479 1.930) 11.745 12.256 ( -0.796 9.073 0.690) 9.134 12.644 ( 0.895 5.600 0.490) 5.692 12.747 ( -1.328 1.300 -1.802) 2.588 12.930 ( 2.876 -6.444 -0.525) 7.077 13.202 ( -3.968 -13.366 -11.252) 17.917 16.065 ( 6.722 -11.298 4.274) 13.824 16.124 ( 5.181 -13.706 -0.174) 14.653 16.517 ( -4.577 -17.848 1.594) 18.494 16.557 ( -5.413 -18.386 0.088) 19.167 28.879 ( 0.870 10.918 4.233) 11.742 28.951 ( -0.885 11.525 0.661) 11.578 29.159 ( 0.314 11.728 -1.365) 11.811 29.190 ( -0.441 11.750 -3.004) 12.136 31.568 ( 1.018 0.711 2.809) 3.071 31.639 ( -0.734 -0.916 -0.609) 1.322 32.325 ( 0.246 -6.570 -0.289) 6.581 32.346 ( -0.257 -5.637 -1.160) 5.761 83.844 ( 0.504 -4.772 5.092) 6.997 83.884 ( -0.431 -6.825 3.654) 7.753 85.313 ( 3.151 -25.520 14.217) 29.383 85.606 ( -4.043 -35.640 1.726) 35.910 ======================= Grid point 317 (108/144) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -1.196 17.575 4.317) 18.137 2.482 ( -5.067 17.018 2.422) 17.921 3.422 ( 7.226 4.466 9.860) 13.015 3.523 ( -2.703 2.373 3.994) 5.375 4.117 ( 7.142 2.145 5.372) 9.191 4.258 ( -6.946 3.580 -0.490) 7.830 4.936 ( 4.943 39.180 1.139) 39.507 5.028 ( -4.618 39.339 -3.784) 39.790 5.676 ( 6.955 17.518 7.543) 20.302 5.772 ( -1.722 24.054 3.086) 24.312 6.030 ( 3.422 -0.932 -1.811) 3.982 6.137 ( -6.518 -4.116 -4.943) 9.157 7.617 ( 3.825 -4.246 4.576) 7.321 7.668 ( -0.842 -3.510 2.944) 4.658 7.928 ( -0.693 -0.850 4.649) 4.776 8.004 ( -8.222 -0.852 0.922) 8.317 8.701 ( 9.009 6.481 1.809) 11.244 8.839 ( -2.971 8.743 -1.045) 9.293 8.945 ( 3.783 5.450 -6.972) 9.624 9.057 ( -5.662 9.275 -8.416) 13.745 9.898 ( 5.436 -0.057 0.113) 5.438 9.987 ( -1.284 0.383 -1.420) 1.952 10.114 ( 4.774 -5.828 -0.393) 7.544 10.256 ( -7.448 -6.860 -4.694) 11.161 12.012 ( 2.139 7.456 4.453) 8.944 12.065 ( -2.750 7.553 3.086) 8.611 12.201 ( 1.219 11.911 -0.641) 11.991 12.233 ( -1.669 11.624 -1.030) 11.789 12.670 ( 1.958 5.281 -1.095) 5.738 12.712 ( -2.292 3.883 -2.135) 4.989 13.007 ( 5.111 -9.050 -3.440) 10.948 13.109 ( -5.578 -11.441 -7.673) 14.863 16.227 ( 9.914 -13.658 3.300) 17.197 16.251 ( 7.999 -15.073 0.393) 17.068 16.400 ( -7.697 -16.482 1.330) 18.239 16.417 ( -9.078 -16.348 0.664) 18.711 28.902 ( 1.424 11.201 3.318) 11.768 28.929 ( -1.436 11.449 1.976) 11.707 29.168 ( 0.574 11.629 -1.985) 11.811 29.180 ( -0.649 11.652 -2.581) 11.952 31.592 ( 1.498 0.143 1.534) 2.149 31.619 ( -1.324 -0.474 0.236) 1.426 32.332 ( 0.415 -6.274 -0.517) 6.309 32.340 ( -0.421 -5.926 -0.853) 6.002 83.856 ( 0.828 -5.128 4.865) 7.117 83.872 ( -0.785 -5.894 4.308) 7.343 85.396 ( 5.532 -28.568 10.253) 30.852 85.508 ( -6.080 -32.403 5.506) 33.425 ======================= Grid point 320 (109/144) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 9.026 6.840) 11.325 3.011 ( 0.000 21.001 0.253) 21.002 3.372 ( 0.000 8.102 5.178) 9.615 3.422 ( 0.000 -0.571 -0.257) 0.626 3.978 ( 0.000 -5.150 4.017) 6.532 4.309 ( 0.000 -8.071 -10.907) 13.569 5.466 ( 0.000 -11.732 16.127) 19.943 5.491 ( 0.000 20.046 7.967) 21.571 5.930 ( 0.000 36.668 -6.878) 37.307 6.151 ( 0.000 2.716 -4.434) 5.200 6.303 ( 0.000 25.310 -4.650) 25.734 6.363 ( 0.000 18.998 -4.426) 19.507 7.453 ( 0.000 -2.118 7.433) 7.729 7.686 ( 0.000 3.292 2.025) 3.865 7.990 ( 0.000 -3.427 7.301) 8.065 8.248 ( 0.000 -6.756 -5.426) 8.665 8.612 ( 0.000 4.965 -4.394) 6.630 8.613 ( 0.000 4.454 -2.307) 5.016 9.228 ( 0.000 7.276 -0.049) 7.276 9.383 ( 0.000 9.194 -6.616) 11.327 9.778 ( 0.000 -0.358 -2.284) 2.312 9.803 ( 0.000 -0.106 -2.645) 2.647 10.122 ( 0.000 -2.782 3.186) 4.230 10.233 ( 0.000 -6.531 -1.716) 6.752 12.201 ( 0.000 7.933 6.807) 10.453 12.304 ( 0.000 0.925 8.233) 8.285 12.349 ( 0.000 14.564 -3.361) 14.947 12.492 ( 0.000 11.128 -0.244) 11.131 12.755 ( 0.000 0.688 1.366) 1.529 12.798 ( 0.000 6.975 -4.427) 8.261 12.836 ( 0.000 0.244 -4.944) 4.950 12.964 ( 0.000 -12.479 -9.631) 15.763 15.780 ( 0.000 -10.888 2.186) 11.105 15.800 ( 0.000 -13.252 0.185) 13.253 16.192 ( 0.000 -17.280 1.739) 17.367 16.239 ( 0.000 -16.617 -0.284) 16.619 29.097 ( 0.000 11.067 3.727) 11.678 29.191 ( 0.000 10.888 -0.855) 10.922 29.389 ( 0.000 10.535 0.003) 10.535 29.423 ( 0.000 10.080 -1.755) 10.232 31.588 ( 0.000 2.094 1.890) 2.821 31.634 ( 0.000 0.001 -0.433) 0.433 32.180 ( 0.000 -7.165 0.339) 7.173 32.228 ( 0.000 -6.214 -1.660) 6.432 83.750 ( 0.000 -3.829 3.213) 4.999 83.762 ( 0.000 -4.823 2.876) 5.615 84.804 ( 0.000 -22.036 9.806) 24.119 84.957 ( 0.000 -30.012 3.534) 30.219 ======================= Grid point 321 (110/144) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -2.119 12.601 6.039) 14.133 2.963 ( -4.849 20.185 -0.262) 20.761 3.399 ( 3.657 5.967 6.544) 9.582 3.491 ( 4.518 -0.788 -1.035) 4.702 3.988 ( 2.138 -4.763 5.472) 7.563 4.309 ( -0.967 -6.454 -8.221) 10.497 5.478 ( 2.371 -5.800 11.673) 13.248 5.533 ( 3.302 11.290 7.868) 14.152 5.902 ( -2.430 36.103 -4.671) 36.485 6.093 ( -5.855 4.407 -4.730) 8.722 6.327 ( 2.396 25.732 -4.083) 26.164 6.383 ( 1.450 18.694 -5.491) 19.538 7.479 ( 2.740 -2.005 7.334) 8.082 7.678 ( -1.044 2.894 2.990) 4.290 7.936 ( -4.372 -3.044 5.601) 7.730 8.138 ( -9.433 -4.111 -4.383) 11.184 8.639 ( 6.953 4.436 1.114) 8.322 8.792 ( 11.730 2.965 -7.592) 14.284 9.157 ( -6.782 6.239 0.297) 9.220 9.336 ( -5.035 7.481 -7.842) 11.951 9.818 ( 4.060 0.563 -0.975) 4.213 9.874 ( 6.783 0.106 -3.192) 7.497 10.093 ( -2.990 -2.048 3.219) 4.847 10.216 ( -1.971 -5.715 -2.277) 6.460 12.172 ( -2.320 7.058 7.542) 10.587 12.249 ( -4.203 3.737 6.491) 8.589 12.392 ( 2.904 11.655 -1.453) 12.099 12.498 ( 0.172 11.819 -1.379) 11.901 12.766 ( 1.155 1.434 0.052) 1.842 12.806 ( 0.935 4.999 -3.989) 6.464 12.830 ( -0.617 0.207 -4.720) 4.765 12.941 ( -2.274 -11.496 -8.213) 14.310 15.829 ( 4.957 -11.671 2.040) 12.843 15.841 ( 4.230 -13.540 0.295) 14.189 16.157 ( -3.577 -16.830 1.577) 17.278 16.201 ( -3.956 -16.049 -0.192) 16.530 29.107 ( 1.060 11.137 3.403) 11.693 29.184 ( -0.746 11.035 -0.298) 11.064 29.389 ( 0.091 10.366 -0.251) 10.369 29.417 ( -0.530 10.042 -1.649) 10.191 31.594 ( 0.553 1.890 1.608) 2.543 31.631 ( -0.353 0.197 -0.267) 0.484 32.184 ( 0.460 -7.088 0.150) 7.105 32.223 ( -0.491 -6.320 -1.467) 6.506 83.754 ( 0.454 -3.751 3.222) 4.966 83.765 ( 0.266 -4.562 2.894) 5.409 84.813 ( 1.024 -22.883 9.203) 24.685 84.937 ( -1.984 -29.330 4.115) 29.684 ======================= Grid point 322 (111/144) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 1.327 17.377 3.992) 17.879 2.864 ( -4.878 19.765 1.371) 20.404 3.478 ( 4.058 2.255 4.776) 6.661 3.529 ( -0.799 -0.751 0.947) 1.449 4.088 ( 8.090 -3.941 4.813) 10.205 4.239 ( -6.709 -4.295 -1.085) 8.039 5.551 ( 4.310 -3.189 5.303) 7.541 5.585 ( 1.223 3.780 4.351) 5.891 5.875 ( 0.858 30.404 -1.332) 30.445 5.960 ( -7.315 12.727 -2.549) 14.899 6.375 ( 2.220 23.764 -5.173) 24.422 6.398 ( -0.134 20.687 -5.916) 21.517 7.550 ( 4.652 -1.374 7.083) 8.584 7.635 ( -3.793 0.700 5.812) 6.976 7.890 ( 0.707 -1.886 1.533) 2.531 7.971 ( -7.387 -1.893 -1.666) 7.805 8.809 ( 10.237 4.216 1.762) 11.211 8.988 ( -3.062 5.730 -1.527) 6.674 9.023 ( 4.659 2.326 -6.504) 8.332 9.203 ( -8.930 4.783 -9.111) 13.624 9.912 ( 5.563 1.244 0.781) 5.754 10.002 ( 0.015 0.689 -1.896) 2.018 10.035 ( 2.973 -2.064 0.774) 3.701 10.151 ( -5.215 -3.686 -3.101) 7.099 12.144 ( -0.129 5.413 8.230) 9.852 12.174 ( -3.209 4.191 7.694) 9.331 12.444 ( 2.625 11.689 -2.355) 12.209 12.485 ( -1.605 12.059 -2.551) 12.430 12.791 ( 1.337 4.383 -3.449) 5.735 12.813 ( -0.946 5.104 -5.069) 7.255 12.838 ( 2.266 -5.374 -2.405) 6.309 12.890 ( -2.991 -8.996 -4.875) 10.661 15.939 ( 6.205 -14.729 1.497) 16.052 15.952 ( 6.951 -13.515 1.163) 15.242 16.068 ( -5.516 -15.436 0.926) 16.418 16.099 ( -6.640 -14.482 -0.029) 15.932 29.133 ( 1.633 11.263 2.457) 11.643 29.163 ( -1.451 11.253 1.051) 11.395 29.394 ( 0.442 10.086 -0.826) 10.129 29.405 ( -0.701 9.992 -1.341) 10.106 31.607 ( 0.795 1.362 0.933) 1.832 31.621 ( -0.671 0.715 0.220) 1.005 32.196 ( 0.759 -6.874 -0.346) 6.924 32.211 ( -0.778 -6.581 -0.964) 6.697 83.764 ( 0.455 -3.718 3.161) 4.901 83.768 ( -0.007 -4.033 3.004) 5.029 84.843 ( 2.171 -25.018 7.614) 26.241 84.890 ( -2.768 -27.477 5.662) 28.191 ======================= Grid point 325 (112/144) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 0.000 6.516 6.410) 9.140 3.343 ( 0.000 3.850 -8.285) 9.136 3.515 ( 0.000 17.193 3.995) 17.651 3.579 ( 0.000 11.611 2.354) 11.847 3.859 ( 0.000 -5.412 0.036) 5.413 4.088 ( 0.000 -12.786 -10.887) 16.794 5.169 ( 0.000 -16.329 13.948) 21.475 5.467 ( 0.000 -15.217 1.896) 15.335 6.419 ( 0.000 16.943 -0.349) 16.946 6.562 ( 0.000 23.978 -6.680) 24.891 6.663 ( 0.000 10.291 -1.740) 10.437 6.742 ( 0.000 16.325 -3.979) 16.803 7.471 ( 0.000 3.979 7.583) 8.564 7.770 ( 0.000 3.920 1.532) 4.209 7.963 ( 0.000 1.086 0.433) 1.170 8.119 ( 0.000 -5.050 -9.305) 10.587 8.701 ( 0.000 4.390 -0.318) 4.402 8.729 ( 0.000 6.260 -3.421) 7.133 9.333 ( 0.000 3.462 -0.906) 3.578 9.504 ( 0.000 2.243 -8.029) 8.336 9.784 ( 0.000 1.193 0.388) 1.255 9.810 ( 0.000 0.610 -1.012) 1.182 10.069 ( 0.000 -2.476 1.963) 3.160 10.127 ( 0.000 -4.066 -1.068) 4.204 12.250 ( 0.000 0.959 11.690) 11.729 12.436 ( 0.000 8.422 6.938) 10.912 12.625 ( 0.000 11.404 -3.443) 11.913 12.629 ( 0.000 2.071 -2.077) 2.933 12.740 ( 0.000 -8.315 -4.963) 9.684 12.800 ( 0.000 -0.066 -5.021) 5.021 12.839 ( 0.000 7.064 2.594) 7.525 12.988 ( 0.000 7.376 -6.375) 9.750 15.550 ( 0.000 -10.686 0.612) 10.704 15.567 ( 0.000 -9.612 0.543) 9.627 15.875 ( 0.000 -13.368 2.130) 13.537 15.937 ( 0.000 -13.008 -0.529) 13.019 29.312 ( 0.000 9.690 2.983) 10.139 29.394 ( 0.000 8.726 -0.961) 8.778 29.572 ( 0.000 7.226 0.520) 7.244 29.592 ( 0.000 6.388 -0.476) 6.405 31.644 ( 0.000 3.399 0.418) 3.424 31.649 ( 0.000 1.523 -0.057) 1.524 32.036 ( 0.000 -6.780 0.778) 6.824 32.099 ( 0.000 -6.348 -1.825) 6.606 83.690 ( 0.000 -1.868 2.147) 2.846 83.696 ( 0.000 -1.617 1.938) 2.524 84.401 ( 0.000 -17.166 5.231) 17.945 84.433 ( 0.000 -21.223 4.034) 21.603 ======================= Grid point 326 (113/144) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 3.466 8.814 5.742) 11.076 3.338 ( -1.680 11.769 -6.908) 13.750 3.500 ( -0.609 6.024 2.225) 6.451 3.579 ( -0.703 11.308 1.054) 11.378 3.878 ( 3.430 -5.053 2.297) 6.525 4.133 ( 2.853 -9.636 -8.416) 13.108 5.170 ( 0.820 -17.480 11.706) 21.054 5.444 ( -2.797 -16.709 0.903) 16.965 6.416 ( -0.056 18.640 0.259) 18.642 6.532 ( -2.879 24.213 -4.198) 24.742 6.680 ( 1.875 9.652 -2.766) 10.214 6.755 ( 0.801 15.565 -5.244) 16.445 7.500 ( 3.097 4.132 7.653) 9.232 7.765 ( -0.957 4.584 2.370) 5.249 7.910 ( -4.347 0.864 0.575) 4.469 8.059 ( -5.752 -2.942 -7.572) 9.953 8.733 ( 5.673 4.917 0.800) 7.550 8.855 ( 9.868 3.330 -6.458) 12.255 9.252 ( -7.646 3.433 -1.071) 8.449 9.426 ( -7.327 1.494 -8.523) 11.338 9.841 ( 5.169 1.570 0.760) 5.455 9.882 ( 6.295 0.318 -1.424) 6.461 10.056 ( -1.411 -1.700 1.986) 2.971 10.123 ( -0.663 -3.672 -1.400) 3.986 12.237 ( -1.013 2.059 11.405) 11.634 12.374 ( -5.230 7.217 7.302) 11.522 12.620 ( -0.395 6.814 -4.318) 8.077 12.660 ( 1.770 3.499 -4.675) 6.102 12.724 ( -0.699 -5.791 -1.210) 5.957 12.811 ( -0.160 4.357 -0.863) 4.444 12.848 ( 1.782 3.665 -1.479) 4.336 12.978 ( -1.107 6.804 -6.225) 9.288 15.583 ( 3.353 -10.920 0.921) 11.460 15.607 ( 3.987 -10.028 0.364) 10.797 15.849 ( -2.660 -12.992 1.932) 13.401 15.908 ( -2.971 -12.641 -0.553) 12.997 29.323 ( 1.161 9.732 2.718) 10.171 29.392 ( -0.331 9.019 -0.526) 9.040 29.568 ( -0.348 6.924 0.385) 6.943 29.587 ( -0.596 6.355 -0.468) 6.400 31.646 ( 0.178 3.237 0.371) 3.263 31.650 ( 0.086 1.764 -0.002) 1.766 32.041 ( 0.549 -6.790 0.501) 6.831 32.092 ( -0.685 -6.428 -1.605) 6.661 83.698 ( 0.800 -1.596 2.105) 2.761 83.703 ( 0.687 -1.386 1.935) 2.478 84.396 ( -0.457 -17.764 5.136) 18.497 84.421 ( -1.078 -21.077 4.163) 21.511 ======================= Grid point 327 (114/144) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 6.570 13.740 3.646) 15.660 3.258 ( -6.385 17.830 -0.473) 18.945 3.511 ( 1.563 -0.732 -2.193) 2.791 3.548 ( -2.174 5.065 -1.608) 5.741 3.998 ( 8.275 -3.538 3.559) 9.678 4.127 ( -4.183 -5.276 -1.531) 6.905 5.230 ( 5.762 -19.504 5.150) 20.979 5.355 ( -6.547 -19.155 0.639) 20.253 6.428 ( 1.517 21.660 0.663) 21.723 6.473 ( -3.091 23.518 -0.889) 23.737 6.723 ( 2.369 10.577 -4.575) 11.765 6.756 ( -0.882 13.068 -5.767) 14.311 7.584 ( 5.814 4.620 7.245) 10.375 7.701 ( -5.935 5.254 5.631) 9.724 7.874 ( 1.415 0.412 -1.674) 2.230 7.944 ( -5.594 -0.386 -4.191) 7.001 8.887 ( 9.988 3.842 -0.020) 10.702 9.055 ( 10.243 1.409 -8.866) 13.620 9.082 ( -9.261 3.580 -0.826) 9.963 9.259 ( -10.214 1.068 -9.207) 13.793 9.940 ( 4.893 1.259 1.226) 5.199 10.002 ( 4.742 -0.755 -2.297) 5.322 10.017 ( -1.739 -0.168 2.187) 2.799 10.091 ( -3.072 -2.486 -1.851) 4.364 12.232 ( 0.885 4.096 10.439) 11.248 12.280 ( -4.210 5.796 8.823) 11.365 12.622 ( 0.775 1.905 -5.451) 5.826 12.649 ( -1.873 -0.691 -7.410) 7.674 12.749 ( 2.391 2.568 2.807) 4.493 12.789 ( -1.803 4.980 2.000) 5.661 12.897 ( 2.912 3.977 -4.630) 6.763 12.946 ( -2.234 5.530 -5.657) 8.220 15.663 ( 4.682 -11.666 1.496) 12.659 15.693 ( 3.894 -11.366 0.698) 12.035 15.789 ( -2.681 -11.744 0.905) 12.081 15.832 ( -4.854 -11.649 -0.579) 12.633 29.351 ( 1.658 9.777 1.914) 10.100 29.378 ( -1.149 9.563 0.649) 9.654 29.565 ( 0.121 6.414 -0.018) 6.415 29.573 ( -0.700 6.277 -0.367) 6.326 31.650 ( 0.157 2.831 0.260) 2.847 31.651 ( 0.006 2.298 0.124) 2.301 32.056 ( 0.964 -6.755 -0.197) 6.826 32.075 ( -1.049 -6.609 -1.001) 6.766 83.713 ( 0.578 -1.091 2.014) 2.362 83.715 ( 0.377 -1.006 1.949) 2.226 84.390 ( 0.022 -19.180 4.867) 19.788 84.400 ( -1.007 -20.465 4.492) 20.977 ======================= Grid point 330 (115/144) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 0.000 6.833 0.648) 6.864 3.345 ( 0.000 -1.279 -6.622) 6.744 3.684 ( 0.000 -3.039 1.327) 3.316 3.802 ( 0.000 -9.344 -6.372) 11.310 3.922 ( 0.000 12.983 -1.250) 13.043 3.947 ( 0.000 16.692 -2.693) 16.908 4.837 ( 0.000 -14.783 10.499) 18.132 5.080 ( 0.000 -20.594 0.167) 20.594 6.669 ( 0.000 7.606 2.342) 7.958 6.764 ( 0.000 2.315 -0.793) 2.447 6.931 ( 0.000 10.496 -3.921) 11.205 6.974 ( 0.000 6.817 -3.654) 7.735 7.593 ( 0.000 7.027 5.244) 8.768 7.800 ( 0.000 -1.516 2.726) 3.119 8.021 ( 0.000 3.631 -6.520) 7.463 8.069 ( 0.000 0.009 -12.222) 12.222 8.794 ( 0.000 4.434 0.890) 4.522 8.840 ( 0.000 3.781 -1.955) 4.257 9.392 ( 0.000 2.725 -4.105) 4.927 9.498 ( 0.000 -1.891 -7.673) 7.903 9.814 ( 0.000 1.167 0.418) 1.240 9.820 ( 0.000 0.332 0.012) 0.332 10.025 ( 0.000 -1.616 1.847) 2.454 10.056 ( 0.000 -2.916 -0.179) 2.922 12.310 ( 0.000 4.820 8.725) 9.967 12.564 ( 0.000 -6.558 -2.986) 7.205 12.572 ( 0.000 4.465 7.783) 8.973 12.650 ( 0.000 -1.099 4.214) 4.354 12.807 ( 0.000 5.732 -2.763) 6.363 12.824 ( 0.000 2.224 -4.356) 4.891 13.003 ( 0.000 7.419 -1.066) 7.496 13.098 ( 0.000 3.150 -5.386) 6.240 15.383 ( 0.000 -5.331 0.610) 5.366 15.405 ( 0.000 -5.869 -0.013) 5.869 15.661 ( 0.000 -7.178 2.071) 7.471 15.711 ( 0.000 -8.797 -0.091) 8.798 29.481 ( 0.000 6.632 2.095) 6.955 29.534 ( 0.000 4.665 -0.455) 4.687 29.679 ( 0.000 3.169 0.628) 3.231 29.682 ( 0.000 2.542 0.484) 2.588 31.696 ( 0.000 3.044 0.178) 3.049 31.724 ( 0.000 4.148 -0.883) 4.241 31.909 ( 0.000 -5.409 1.061) 5.512 31.972 ( 0.000 -5.976 -1.607) 6.188 83.678 ( 0.000 0.679 1.910) 2.027 83.692 ( 0.000 0.906 1.316) 1.598 84.094 ( 0.000 -11.739 3.224) 12.173 84.111 ( 0.000 -10.943 2.445) 11.213 ======================= Grid point 331 (116/144) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 5.950 7.173 0.398) 9.328 3.391 ( 4.652 -1.102 -6.796) 8.309 3.647 ( -4.393 1.375 0.047) 4.603 3.751 ( -4.772 -3.345 -5.806) 8.226 3.932 ( 3.408 14.725 1.508) 15.189 4.044 ( 6.723 6.603 -3.238) 9.964 4.810 ( -2.136 -16.445 9.347) 19.036 5.038 ( -4.481 -21.275 -0.311) 21.744 6.686 ( 1.800 8.118 2.440) 8.666 6.789 ( 2.595 2.380 -1.180) 3.714 6.888 ( -3.774 10.474 -1.630) 11.252 6.971 ( -1.147 5.875 -4.701) 7.611 7.624 ( 3.254 7.021 5.091) 9.262 7.812 ( 1.210 -0.620 2.113) 2.512 7.966 ( -5.007 3.904 -4.239) 7.634 8.035 ( -3.656 0.318 -9.659) 10.333 8.835 ( 4.986 4.827 -0.138) 6.941 8.916 ( 7.044 1.969 -4.632) 8.657 9.315 ( -7.309 3.009 -4.637) 9.164 9.420 ( -7.214 -1.504 -8.365) 11.148 9.868 ( 4.834 0.828 0.843) 4.976 9.883 ( 5.370 -0.170 -0.103) 5.374 10.025 ( -0.111 -1.129 1.715) 2.057 10.058 ( -0.015 -2.675 -0.331) 2.696 12.310 ( 0.252 5.074 8.867) 10.219 12.499 ( -5.582 4.744 6.646) 9.891 12.560 ( -0.621 -6.081 -1.357) 6.262 12.630 ( -2.585 -2.216 2.489) 4.217 12.819 ( 2.655 6.100 -1.941) 6.930 12.884 ( 4.165 2.298 -3.562) 5.943 12.986 ( -1.795 7.202 -1.081) 7.501 13.079 ( -1.934 2.887 -5.215) 6.267 15.413 ( 3.034 -5.366 0.809) 6.217 15.439 ( 3.388 -6.045 -0.057) 6.930 15.641 ( -2.125 -7.056 1.892) 7.608 15.689 ( -2.360 -8.588 -0.159) 8.907 29.493 ( 1.257 6.691 1.950) 7.082 29.540 ( 0.492 5.151 -0.264) 5.181 29.666 ( -1.084 2.689 0.754) 2.996 29.675 ( -0.780 2.474 0.328) 2.615 31.702 ( 0.533 3.270 0.151) 3.316 31.725 ( 0.055 4.262 -0.721) 4.323 31.912 ( 0.355 -5.684 0.736) 5.743 31.964 ( -0.824 -6.041 -1.434) 6.264 83.694 ( 1.591 1.201 1.862) 2.728 83.707 ( 1.428 1.490 1.311) 2.445 84.079 ( -1.388 -12.263 3.205) 12.750 84.095 ( -1.628 -11.513 2.511) 11.895 ======================= Grid point 332 (117/144) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 9.439 7.312 -0.194) 11.941 3.499 ( 3.303 -0.473 -4.182) 5.350 3.524 ( -5.160 6.551 -3.288) 8.964 3.639 ( -6.925 0.646 -6.127) 9.269 4.039 ( 6.783 9.918 3.403) 12.488 4.120 ( -0.220 7.478 0.166) 7.483 4.808 ( 3.223 -20.989 4.458) 21.698 4.921 ( -7.431 -22.339 0.031) 23.542 6.735 ( 3.465 9.212 2.191) 10.083 6.809 ( -4.308 10.087 0.893) 11.005 6.853 ( 4.000 2.909 -2.471) 5.529 6.926 ( -3.453 4.062 -4.025) 6.680 7.710 ( 5.784 6.764 3.881) 9.709 7.816 ( -3.648 5.027 1.562) 6.404 7.889 ( 0.121 0.509 -1.652) 1.733 7.951 ( -4.722 0.377 -4.839) 6.772 8.971 ( 9.038 4.271 -3.032) 10.446 9.075 ( 9.467 0.161 -8.036) 12.418 9.151 ( -9.552 3.491 -4.532) 11.134 9.259 ( -9.614 -0.950 -8.990) 13.196 9.957 ( 4.092 0.445 1.116) 4.264 9.981 ( 4.397 -1.081 -0.444) 4.549 10.012 ( -1.384 -0.279 1.556) 2.102 10.044 ( -1.847 -2.046 -0.421) 2.789 12.330 ( 2.182 5.503 8.769) 10.580 12.397 ( -4.872 5.499 7.896) 10.785 12.555 ( 0.345 -5.133 -0.496) 5.169 12.579 ( -2.279 -3.582 0.655) 4.296 12.880 ( 3.439 6.283 -1.128) 7.251 12.940 ( -2.904 6.773 -1.218) 7.470 12.961 ( 3.961 2.060 -3.840) 5.889 13.030 ( -3.260 2.383 -4.677) 6.179 15.484 ( 4.094 -5.472 1.223) 6.943 15.512 ( 3.190 -6.021 0.322) 6.821 15.592 ( -2.165 -7.253 1.061) 7.643 15.628 ( -3.939 -8.118 -0.267) 9.027 29.523 ( 1.658 6.849 1.462) 7.197 29.544 ( -0.377 6.438 0.490) 6.467 29.649 ( -0.366 1.807 0.582) 1.934 29.657 ( -0.988 1.907 0.260) 2.164 31.713 ( 0.662 3.814 0.012) 3.871 31.723 ( -0.303 4.262 -0.327) 4.285 31.924 ( 0.902 -6.103 -0.073) 6.170 31.944 ( -1.188 -6.168 -0.907) 6.347 83.726 ( 1.382 2.476 1.662) 3.287 83.732 ( 0.797 2.710 1.391) 3.149 84.055 ( -0.750 -13.331 3.074) 13.701 84.062 ( -1.427 -12.921 2.752) 13.288 ======================= Grid point 335 (118/144) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 0.000 -6.042 -5.677) 8.291 3.276 ( 0.000 6.042 -5.677) 8.291 3.653 ( 0.000 -2.240 -2.069) 3.049 3.653 ( 0.000 2.240 -2.069) 3.049 4.151 ( 0.000 -3.890 -0.794) 3.970 4.151 ( 0.000 3.890 -0.794) 3.970 4.725 ( 0.000 -9.224 3.861) 9.999 4.725 ( 0.000 9.224 3.861) 9.999 6.763 ( 0.000 -2.190 1.660) 2.748 6.763 ( 0.000 2.190 1.660) 2.748 7.036 ( 0.000 -0.626 -3.413) 3.470 7.036 ( 0.000 0.626 -3.413) 3.470 7.724 ( 0.000 -5.387 2.892) 6.114 7.724 ( 0.000 5.387 2.892) 6.114 8.072 ( 0.000 -0.867 -10.400) 10.436 8.072 ( 0.000 0.867 -10.400) 10.436 8.862 ( 0.000 -1.606 0.042) 1.607 8.862 ( 0.000 1.606 0.042) 1.607 9.449 ( 0.000 -2.726 -6.768) 7.296 9.449 ( 0.000 2.726 -6.768) 7.296 9.824 ( 0.000 -0.001 0.251) 0.251 9.824 ( 0.000 0.001 0.251) 0.251 10.015 ( 0.000 -0.852 1.194) 1.467 10.015 ( 0.000 0.852 1.194) 1.467 12.430 ( 0.000 -6.470 3.512) 7.361 12.430 ( 0.000 6.470 3.512) 7.361 12.627 ( 0.000 -1.519 5.690) 5.890 12.627 ( 0.000 1.519 5.690) 5.890 12.860 ( 0.000 -0.260 -2.420) 2.434 12.860 ( 0.000 0.260 -2.420) 2.434 13.107 ( 0.000 -2.385 -3.766) 4.458 13.107 ( 0.000 2.385 -3.766) 4.458 15.337 ( 0.000 -0.671 0.233) 0.711 15.337 ( 0.000 0.671 0.233) 0.711 15.600 ( 0.000 -1.460 1.075) 1.813 15.600 ( 0.000 1.460 1.075) 1.813 29.568 ( 0.000 -1.522 0.816) 1.727 29.568 ( 0.000 1.522 0.816) 1.727 29.707 ( 0.000 -0.084 0.679) 0.684 29.707 ( 0.000 0.084 0.679) 0.684 31.763 ( 0.000 -2.388 -0.400) 2.421 31.763 ( 0.000 2.388 -0.400) 2.421 31.867 ( 0.000 -3.264 -0.322) 3.280 31.867 ( 0.000 3.264 -0.322) 3.280 83.702 ( 0.000 -0.758 1.756) 1.912 83.702 ( 0.000 0.758 1.756) 1.912 83.978 ( 0.000 -1.022 1.893) 2.151 83.978 ( 0.000 1.022 1.893) 2.151 ======================= Grid point 337 (119/144) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 5.342 -5.473 -5.493) 9.416 3.328 ( 5.342 5.473 -5.493) 9.416 3.654 ( -0.768 -2.357 -2.841) 3.770 3.654 ( -0.768 2.357 -2.841) 3.770 4.182 ( 4.017 -5.062 -0.005) 6.462 4.182 ( 4.017 5.062 -0.005) 6.462 4.669 ( -5.983 -9.524 3.417) 11.755 4.669 ( -5.983 9.524 3.417) 11.755 6.787 ( 2.489 -2.399 1.457) 3.751 6.787 ( 2.489 2.399 1.457) 3.751 7.007 ( -2.966 -1.950 -2.614) 4.408 7.007 ( -2.966 1.950 -2.614) 4.408 7.751 ( 2.798 -4.926 2.435) 6.166 7.751 ( 2.798 4.926 2.435) 6.166 8.030 ( -4.247 -1.655 -7.710) 8.957 8.030 ( -4.247 1.655 -7.710) 8.957 8.913 ( 5.344 -2.321 -2.176) 6.219 8.913 ( 5.344 2.321 -2.176) 6.219 9.376 ( -6.936 -2.749 -7.542) 10.609 9.376 ( -6.936 2.749 -7.542) 10.609 9.878 ( 4.717 -0.293 0.620) 4.766 9.878 ( 4.717 0.293 0.620) 4.766 10.020 ( 0.319 -0.843 0.981) 1.332 10.020 ( 0.319 0.843 0.981) 1.332 12.430 ( 0.190 -6.240 3.932) 7.378 12.430 ( 0.190 6.240 3.932) 7.378 12.580 ( -4.208 -2.919 5.233) 7.322 12.580 ( -4.208 2.919 5.233) 7.322 12.897 ( 3.342 -1.460 -2.144) 4.231 12.897 ( 3.342 1.460 -2.144) 4.231 13.086 ( -2.119 -2.325 -3.638) 4.809 13.086 ( -2.119 2.325 -3.638) 4.809 15.368 ( 3.147 -0.793 0.288) 3.258 15.368 ( 3.147 0.793 0.288) 3.258 15.580 ( -2.114 -1.418 0.967) 2.723 15.580 ( -2.114 1.418 0.967) 2.723 29.581 ( 1.347 -1.428 0.805) 2.122 29.581 ( 1.347 1.428 0.805) 2.122 29.694 ( -1.407 -0.405 0.694) 1.620 29.694 ( -1.407 0.405 0.694) 1.620 31.773 ( 1.063 -2.475 -0.394) 2.722 31.773 ( 1.063 2.475 -0.394) 2.722 31.857 ( -1.004 -3.183 -0.331) 3.354 31.857 ( -1.004 3.183 -0.331) 3.354 83.729 ( 2.736 -0.805 1.768) 3.355 83.729 ( 2.736 0.805 1.768) 3.355 83.952 ( -2.729 -1.013 1.879) 3.465 83.952 ( -2.729 1.013 1.879) 3.465 ======================= Grid point 339 (120/144) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 7.885 -4.127 -4.986) 10.201 3.457 ( 7.885 4.127 -4.986) 10.201 3.593 ( -5.877 -2.787 -4.154) 7.718 3.593 ( -5.877 2.787 -4.154) 7.718 4.316 ( 9.846 -7.988 1.378) 12.753 4.316 ( 9.846 7.988 1.378) 12.753 4.513 ( -10.265 -9.540 2.457) 14.227 4.513 ( -10.265 9.540 2.457) 14.227 6.851 ( 4.232 -2.776 0.658) 5.104 6.851 ( 4.232 2.776 0.658) 5.104 6.935 ( -4.492 -2.795 -0.880) 5.364 6.935 ( -4.492 2.795 -0.880) 5.364 7.825 ( 5.033 -3.806 0.724) 6.351 7.825 ( 5.033 3.806 0.724) 6.351 7.930 ( -5.931 -2.617 -2.829) 7.073 7.930 ( -5.931 2.617 -2.829) 7.073 9.048 ( 8.701 -2.837 -5.920) 10.900 9.048 ( 8.701 2.837 -5.920) 10.900 9.220 ( -9.254 -2.866 -7.863) 12.478 9.220 ( -9.254 2.866 -7.863) 12.478 9.965 ( 3.992 -0.480 0.784) 4.097 9.965 ( 3.992 0.480 0.784) 4.097 10.014 ( -1.316 -0.711 0.746) 1.672 10.014 ( -1.316 0.711 0.746) 1.672 12.446 ( 1.747 -5.529 4.659) 7.439 12.446 ( 1.747 5.529 4.659) 7.439 12.499 ( -3.902 -4.368 5.004) 7.704 12.499 ( -3.902 4.368 5.004) 7.704 12.966 ( 3.795 -1.901 -2.497) 4.924 12.966 ( 3.795 1.901 -2.497) 4.924 13.034 ( -3.374 -2.151 -3.182) 5.113 13.034 ( -3.374 2.151 -3.182) 5.113 15.443 ( 4.507 -1.047 0.457) 4.650 15.443 ( 4.507 1.047 0.457) 4.650 15.523 ( -3.878 -1.279 0.715) 4.146 15.523 ( -3.878 1.279 0.715) 4.146 29.616 ( 2.208 -1.167 0.773) 2.614 29.616 ( 2.208 1.167 0.773) 2.614 29.658 ( -2.244 -0.802 0.731) 2.493 29.658 ( -2.244 0.802 0.731) 2.493 31.799 ( 1.688 -2.698 -0.377) 3.205 31.799 ( 1.688 2.698 -0.377) 3.205 31.832 ( -1.652 -2.968 -0.354) 3.415 31.832 ( -1.652 2.968 -0.354) 3.415 83.798 ( 4.423 -0.900 1.801) 4.859 83.798 ( 4.423 0.900 1.801) 4.859 83.883 ( -4.419 -0.976 1.843) 4.886 83.883 ( -4.419 0.976 1.843) 4.886 ======================= Grid point 375 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 0.000 -11.811) 11.811 2.239 ( 0.000 0.000 11.811) 11.811 2.506 ( 0.000 0.000 -15.280) 15.280 2.506 ( 0.000 0.000 15.280) 15.280 3.405 ( 0.000 0.000 -9.147) 9.147 3.405 ( 0.000 0.000 9.147) 9.147 3.829 ( 0.000 0.000 -2.898) 2.898 3.829 ( 0.000 0.000 2.898) 2.898 5.013 ( 0.000 0.000 -3.320) 3.320 5.013 ( 0.000 0.000 3.320) 3.320 6.465 ( 0.000 0.000 -6.270) 6.270 6.465 ( 0.000 0.000 6.270) 6.270 7.581 ( 0.000 0.000 -1.321) 1.321 7.581 ( 0.000 0.000 1.321) 1.321 7.841 ( 0.000 0.000 -6.170) 6.170 7.841 ( 0.000 0.000 6.170) 6.170 8.373 ( 0.000 0.000 -0.825) 0.825 8.373 ( 0.000 0.000 0.825) 0.825 8.819 ( 0.000 0.000 -1.819) 1.819 8.819 ( 0.000 0.000 1.819) 1.819 9.895 ( 0.000 0.000 -3.064) 3.064 9.895 ( 0.000 0.000 3.064) 3.064 10.573 ( 0.000 0.000 -12.030) 12.030 10.573 ( 0.000 0.000 12.030) 12.030 11.634 ( 0.000 0.000 -0.972) 0.972 11.634 ( 0.000 0.000 0.972) 0.972 11.718 ( 0.000 0.000 -1.286) 1.286 11.718 ( 0.000 0.000 1.286) 1.286 12.664 ( 0.000 0.000 -6.580) 6.580 12.664 ( 0.000 0.000 6.580) 6.580 13.445 ( 0.000 0.000 -16.868) 16.868 13.445 ( 0.000 0.000 16.868) 16.868 16.520 ( 0.000 0.000 -3.557) 3.557 16.520 ( 0.000 0.000 3.557) 3.557 17.336 ( 0.000 0.000 -3.926) 3.926 17.336 ( 0.000 0.000 3.926) 3.926 28.568 ( 0.000 0.000 -1.286) 1.286 28.568 ( 0.000 0.000 1.286) 1.286 28.632 ( 0.000 0.000 -2.362) 2.362 28.632 ( 0.000 0.000 2.362) 2.362 31.648 ( 0.000 0.000 -4.159) 4.159 31.648 ( 0.000 0.000 4.159) 4.159 32.540 ( 0.000 0.000 -0.583) 0.583 32.540 ( 0.000 0.000 0.583) 0.583 84.193 ( 0.000 0.000 -5.450) 5.450 84.193 ( 0.000 0.000 5.450) 5.450 86.849 ( 0.000 0.000 -27.624) 27.624 86.849 ( 0.000 0.000 27.624) 27.624 ======================= Grid point 377 (122/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -11.396 0.000 -9.336) 14.732 2.111 ( -11.396 0.000 9.336) 14.732 2.506 ( 0.029 0.000 -12.366) 12.366 2.506 ( 0.029 0.000 12.366) 12.366 3.405 ( -0.019 0.000 -7.405) 7.405 3.405 ( -0.019 0.000 7.405) 7.405 3.906 ( 6.534 0.000 -3.720) 7.519 3.906 ( 6.534 0.000 3.720) 7.519 5.060 ( 4.560 0.000 -5.997) 7.534 5.060 ( 4.560 0.000 5.997) 7.534 6.452 ( -1.380 0.000 -5.474) 5.645 6.452 ( -1.380 0.000 5.474) 5.645 7.581 ( 0.000 0.000 -1.068) 1.068 7.581 ( 0.000 0.000 1.068) 1.068 7.842 ( 0.147 0.000 -5.275) 5.277 7.842 ( 0.147 0.000 5.275) 5.277 8.373 ( -0.006 0.000 -0.668) 0.668 8.373 ( -0.006 0.000 0.668) 0.668 8.788 ( -2.947 0.000 -2.243) 3.703 8.788 ( -2.947 0.000 2.243) 3.703 9.943 ( 4.701 0.000 -4.499) 6.507 9.943 ( 4.701 0.000 4.499) 6.507 10.543 ( -2.988 0.000 -11.400) 11.785 10.543 ( -2.988 0.000 11.400) 11.785 11.636 ( 0.184 0.000 -0.830) 0.850 11.636 ( 0.184 0.000 0.830) 0.850 11.716 ( -0.179 0.000 -1.084) 1.099 11.716 ( -0.179 0.000 1.084) 1.099 12.682 ( 1.717 0.000 -6.290) 6.520 12.682 ( 1.717 0.000 6.290) 6.520 13.411 ( -3.183 0.000 -14.359) 14.708 13.411 ( -3.183 0.000 14.359) 14.708 16.608 ( 8.983 0.000 -2.604) 9.353 16.608 ( 8.983 0.000 2.604) 9.353 17.265 ( -7.408 0.000 -3.379) 8.142 17.265 ( -7.408 0.000 3.379) 8.142 28.568 ( 0.028 0.000 -1.056) 1.056 28.568 ( 0.028 0.000 1.056) 1.056 28.632 ( -0.028 0.000 -1.926) 1.926 28.632 ( -0.028 0.000 1.926) 1.926 31.649 ( 0.097 0.000 -3.357) 3.359 31.649 ( 0.097 0.000 3.357) 3.359 32.540 ( -0.001 0.000 -0.489) 0.489 32.540 ( -0.001 0.000 0.489) 0.489 84.193 ( 0.002 0.000 -4.437) 4.437 84.193 ( 0.002 0.000 4.437) 4.437 86.833 ( -1.475 0.000 -22.304) 22.353 86.833 ( -1.475 0.000 22.304) 22.353 ======================= Grid point 379 (123/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -6.504 0.000 -3.534) 7.402 1.921 ( -6.504 0.000 3.534) 7.402 2.507 ( 0.018 0.000 -4.726) 4.727 2.507 ( 0.018 0.000 4.726) 4.727 3.404 ( -0.012 0.000 -2.832) 2.832 3.404 ( -0.012 0.000 2.832) 2.832 4.006 ( 3.085 0.000 -2.040) 3.698 4.006 ( 3.085 0.000 2.040) 3.698 5.146 ( 3.280 0.000 -3.685) 4.933 5.146 ( 3.280 0.000 3.685) 4.933 6.424 ( -1.167 0.000 -2.389) 2.659 6.424 ( -1.167 0.000 2.389) 2.659 7.581 ( 0.000 0.000 -0.408) 0.408 7.581 ( 0.000 0.000 0.408) 0.408 7.847 ( 0.292 0.000 -2.175) 2.195 7.847 ( 0.292 0.000 2.175) 2.195 8.372 ( -0.004 0.000 -0.255) 0.255 8.372 ( -0.004 0.000 0.255) 0.255 8.734 ( -1.954 0.000 -1.160) 2.272 8.734 ( -1.954 0.000 1.160) 2.272 10.036 ( 3.787 0.000 -3.537) 5.182 10.036 ( 3.787 0.000 3.537) 5.182 10.480 ( -2.744 0.000 -6.110) 6.698 10.480 ( -2.744 0.000 6.110) 6.698 11.639 ( 0.124 0.000 -0.350) 0.371 11.639 ( 0.124 0.000 0.350) 0.371 11.713 ( -0.121 0.000 -0.447) 0.463 11.713 ( -0.121 0.000 0.447) 0.463 12.712 ( 1.078 0.000 -3.078) 3.261 12.712 ( 1.078 0.000 3.078) 3.261 13.356 ( -1.919 0.000 -6.030) 6.328 13.356 ( -1.919 0.000 6.030) 6.328 16.825 ( 13.363 0.000 -0.430) 13.370 16.825 ( 13.363 0.000 0.430) 13.370 17.075 ( -12.452 0.000 -1.815) 12.584 17.075 ( -12.452 0.000 1.815) 12.584 28.569 ( 0.018 0.000 -0.413) 0.414 28.569 ( 0.018 0.000 0.413) 0.414 28.631 ( -0.018 0.000 -0.745) 0.745 28.631 ( -0.018 0.000 0.745) 0.745 31.651 ( 0.060 0.000 -1.277) 1.279 31.651 ( 0.060 0.000 1.277) 1.279 32.540 ( -0.001 0.000 -0.197) 0.197 32.540 ( -0.001 0.000 0.197) 0.197 84.193 ( 0.002 0.000 -1.713) 1.713 84.193 ( 0.002 0.000 1.713) 1.713 86.807 ( -0.908 0.000 -8.493) 8.541 86.807 ( -0.908 0.000 8.493) 8.541 ======================= Grid point 385 (124/144) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 0.000 4.247 -9.589) 10.488 2.277 ( 0.000 4.247 9.589) 10.488 2.804 ( 0.000 24.840 -12.780) 27.935 2.804 ( 0.000 24.840 12.780) 27.935 3.573 ( 0.000 14.484 -9.059) 17.084 3.573 ( 0.000 14.484 9.059) 17.084 3.923 ( 0.000 10.487 -2.756) 10.843 3.923 ( 0.000 10.487 2.756) 10.843 5.041 ( 0.000 3.458 -3.232) 4.733 5.041 ( 0.000 3.458 3.232) 4.733 6.414 ( 0.000 -4.652 -6.533) 8.020 6.414 ( 0.000 -4.652 6.533) 8.020 7.674 ( 0.000 5.188 -1.478) 5.394 7.674 ( 0.000 5.188 1.478) 5.394 7.871 ( 0.000 5.700 -7.484) 9.407 7.871 ( 0.000 5.700 7.484) 9.407 8.429 ( 0.000 4.492 -2.176) 4.991 8.429 ( 0.000 4.492 2.176) 4.991 8.804 ( 0.000 -0.704 -0.840) 1.096 8.804 ( 0.000 -0.704 0.840) 1.096 9.865 ( 0.000 -2.736 -2.078) 3.436 9.865 ( 0.000 -2.736 2.078) 3.436 10.530 ( 0.000 -3.910 -10.651) 11.346 10.530 ( 0.000 -3.910 10.651) 11.346 11.697 ( 0.000 4.930 -1.552) 5.168 11.697 ( 0.000 4.930 1.552) 5.168 11.775 ( 0.000 6.587 -1.313) 6.717 11.775 ( 0.000 6.587 1.313) 6.717 12.674 ( 0.000 0.864 -6.038) 6.100 12.674 ( 0.000 0.864 6.038) 6.100 13.387 ( 0.000 -5.613 -15.958) 16.916 13.387 ( 0.000 -5.613 15.958) 16.916 16.459 ( 0.000 -5.842 -3.342) 6.730 16.459 ( 0.000 -5.842 3.342) 6.730 17.234 ( 0.000 -9.748 -3.352) 10.308 17.234 ( 0.000 -9.748 3.352) 10.308 28.617 ( 0.000 4.684 -0.077) 4.685 28.617 ( 0.000 4.684 0.077) 4.685 28.704 ( 0.000 6.853 -1.427) 7.000 28.704 ( 0.000 6.853 1.427) 7.000 31.642 ( 0.000 -0.575 -3.908) 3.950 31.642 ( 0.000 -0.575 3.908) 3.950 32.514 ( 0.000 -2.560 -0.407) 2.592 32.514 ( 0.000 -2.560 0.407) 2.592 84.151 ( 0.000 -3.953 -4.748) 6.178 84.151 ( 0.000 -3.953 4.748) 6.178 86.658 ( 0.000 -17.983 -24.435) 30.339 86.658 ( 0.000 -17.983 24.435) 30.339 ======================= Grid point 387 (125/144) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -10.484 5.019 -7.586) 13.880 2.158 ( -10.484 5.019 7.586) 13.880 2.813 ( 0.701 26.035 -11.015) 28.278 2.813 ( 0.701 26.035 11.015) 28.278 3.592 ( 1.361 16.104 -7.466) 17.802 3.592 ( 1.361 16.104 7.466) 17.802 3.969 ( 4.082 7.388 -3.460) 9.122 3.969 ( 4.082 7.388 3.460) 9.122 5.089 ( 4.707 3.584 -5.708) 8.221 5.089 ( 4.707 3.584 5.708) 8.221 6.400 ( -1.480 -4.745 -5.719) 7.577 6.400 ( -1.480 -4.745 5.719) 7.577 7.681 ( 0.836 6.068 -2.179) 6.501 7.681 ( 0.836 6.068 2.179) 6.501 7.856 ( -1.505 3.891 -6.653) 7.853 7.856 ( -1.505 3.891 6.653) 7.853 8.435 ( 0.547 5.198 -1.849) 5.544 8.435 ( 0.547 5.198 1.849) 5.544 8.779 ( -2.456 -0.246 -1.578) 2.930 8.779 ( -2.456 -0.246 1.578) 2.930 9.913 ( 4.778 -2.695 -3.770) 6.656 9.913 ( 4.778 -2.695 3.770) 6.656 10.496 ( -3.457 -4.319 -10.213) 11.615 10.496 ( -3.457 -4.319 10.213) 11.615 11.701 ( 0.428 5.450 -1.311) 5.621 11.701 ( 0.428 5.450 1.311) 5.621 11.777 ( 0.150 6.554 -1.115) 6.649 11.777 ( 0.150 6.554 1.115) 6.649 12.685 ( 0.970 0.191 -5.637) 5.723 12.685 ( 0.970 0.191 5.637) 5.723 13.357 ( -2.776 -5.219 -13.485) 14.724 13.357 ( -2.776 -5.219 13.485) 14.724 16.543 ( 8.507 -6.290 -2.482) 10.866 16.543 ( 8.507 -6.290 2.482) 10.866 17.166 ( -7.036 -9.411 -2.875) 12.097 17.166 ( -7.036 -9.411 2.875) 12.097 28.617 ( -0.003 4.672 -0.063) 4.673 28.617 ( -0.003 4.672 0.063) 4.673 28.704 ( -0.003 6.860 -1.154) 6.956 28.704 ( -0.003 6.860 1.154) 6.956 31.642 ( 0.080 -0.592 -3.156) 3.212 31.642 ( 0.080 -0.592 3.156) 3.212 32.514 ( 0.005 -2.553 -0.350) 2.577 32.514 ( 0.005 -2.553 0.350) 2.577 84.152 ( 0.011 -3.940 -3.865) 5.520 84.152 ( 0.011 -3.940 3.865) 5.520 86.645 ( -1.246 -17.767 -19.737) 26.585 86.645 ( -1.246 -17.767 19.737) 26.585 ======================= Grid point 389 (126/144) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -5.852 6.477 -2.847) 9.182 1.985 ( -5.852 6.477 2.847) 9.182 2.822 ( 0.237 27.234 -4.403) 27.588 2.822 ( 0.237 27.234 4.403) 27.588 3.610 ( 0.483 18.024 -2.875) 18.258 3.610 ( 0.483 18.024 2.875) 18.258 4.034 ( 2.133 3.792 -1.895) 4.746 4.034 ( 2.133 3.792 1.895) 4.746 5.178 ( 3.360 3.747 -3.490) 6.125 5.178 ( 3.360 3.747 3.490) 6.125 6.370 ( -1.251 -4.935 -2.516) 5.679 6.370 ( -1.251 -4.935 2.516) 5.679 7.702 ( 1.089 9.498 -1.812) 9.731 7.702 ( 1.089 9.498 1.812) 9.731 7.824 ( -1.412 -1.185 -3.387) 3.856 7.824 ( -1.412 -1.185 3.387) 3.856 8.446 ( 0.498 6.630 -0.772) 6.693 8.446 ( 0.498 6.630 0.772) 6.693 8.733 ( -1.722 0.297 -0.859) 1.947 8.733 ( -1.722 0.297 0.859) 1.947 10.009 ( 4.052 -2.309 -3.331) 5.731 10.009 ( 4.052 -2.309 3.331) 5.731 10.423 ( -3.221 -5.240 -5.702) 8.387 10.423 ( -3.221 -5.240 5.702) 8.387 11.709 ( 0.284 6.390 -0.546) 6.419 11.709 ( 0.284 6.390 0.546) 6.419 11.779 ( 0.057 6.383 -0.473) 6.401 11.779 ( 0.057 6.383 0.473) 6.401 12.701 ( 0.565 -0.992 -2.658) 2.893 12.701 ( 0.565 -0.992 2.658) 2.893 13.310 ( -1.620 -4.507 -5.561) 7.339 13.310 ( -1.620 -4.507 5.561) 7.339 16.748 ( 12.655 -7.367 -0.521) 14.653 16.748 ( 12.655 -7.367 0.521) 14.653 16.986 ( -11.801 -8.496 -1.492) 14.618 16.986 ( -11.801 -8.496 1.492) 14.618 28.617 ( -0.002 4.653 -0.025) 4.654 28.617 ( -0.002 4.653 0.025) 4.654 28.704 ( -0.002 6.871 -0.440) 6.885 28.704 ( -0.002 6.871 0.440) 6.885 31.644 ( 0.049 -0.619 -1.202) 1.352 31.644 ( 0.049 -0.619 1.202) 1.352 32.514 ( 0.003 -2.543 -0.145) 2.548 32.514 ( 0.003 -2.543 0.145) 2.548 84.152 ( 0.008 -3.920 -1.492) 4.194 84.152 ( 0.008 -3.920 1.492) 4.194 86.623 ( -0.768 -17.420 -7.520) 18.989 86.623 ( -0.768 -17.420 7.520) 18.989 ======================= Grid point 395 (127/144) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 0.000 9.861 -5.940) 11.512 2.421 ( 0.000 9.861 5.940) 11.512 3.250 ( 0.000 13.439 -8.212) 15.750 3.250 ( 0.000 13.439 8.212) 15.750 3.962 ( 0.000 21.813 -9.175) 23.665 3.962 ( 0.000 21.813 9.175) 23.665 4.273 ( 0.000 23.891 -4.901) 24.388 4.273 ( 0.000 23.891 4.901) 24.388 5.218 ( 0.000 15.831 -1.706) 15.922 5.218 ( 0.000 15.831 1.706) 15.922 6.289 ( 0.000 -7.404 -7.503) 10.542 6.289 ( 0.000 -7.404 7.503) 10.542 7.689 ( 0.000 -1.840 -0.314) 1.866 7.689 ( 0.000 -1.840 0.314) 1.866 8.105 ( 0.000 13.071 -4.865) 13.947 8.105 ( 0.000 13.071 4.865) 13.947 8.480 ( 0.000 -0.840 -4.430) 4.509 8.480 ( 0.000 -0.840 4.430) 4.509 8.854 ( 0.000 6.928 -1.983) 7.207 8.854 ( 0.000 6.928 1.983) 7.207 9.801 ( 0.000 -2.946 -0.226) 2.955 9.801 ( 0.000 -2.946 0.226) 2.955 10.427 ( 0.000 -5.896 -7.969) 9.913 10.427 ( 0.000 -5.896 7.969) 9.913 11.822 ( 0.000 7.974 -0.606) 7.997 11.822 ( 0.000 7.974 0.606) 7.997 11.984 ( 0.000 12.736 -2.473) 12.974 11.984 ( 0.000 12.736 2.473) 12.974 12.693 ( 0.000 0.886 -4.987) 5.065 12.693 ( 0.000 0.886 4.987) 5.065 13.226 ( 0.000 -9.839 -13.479) 16.688 13.226 ( 0.000 -9.839 13.479) 16.688 16.292 ( 0.000 -10.175 -2.646) 10.513 16.292 ( 0.000 -10.175 2.646) 10.513 16.959 ( 0.000 -16.485 -2.139) 16.623 16.959 ( 0.000 -16.485 2.139) 16.623 28.752 ( 0.000 8.254 -1.579) 8.404 28.752 ( 0.000 8.254 1.579) 8.404 28.896 ( 0.000 11.503 -0.830) 11.533 28.896 ( 0.000 11.503 0.830) 11.533 31.627 ( 0.000 -0.753 -3.216) 3.303 31.627 ( 0.000 -0.753 3.216) 3.303 32.439 ( 0.000 -4.681 -0.067) 4.681 32.439 ( 0.000 -4.681 0.067) 4.681 84.043 ( 0.000 -6.343 -3.085) 7.054 84.043 ( 0.000 -6.343 3.085) 7.054 86.165 ( 0.000 -28.777 -17.130) 33.489 86.165 ( 0.000 -28.777 17.130) 33.489 ======================= Grid point 397 (128/144) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -8.496 11.056 -4.750) 14.730 2.324 ( -8.496 11.056 4.750) 14.730 3.304 ( 4.392 15.639 -7.954) 18.087 3.304 ( 4.392 15.639 7.954) 18.087 3.979 ( 1.611 20.073 -7.508) 21.491 3.979 ( 1.611 20.073 7.508) 21.491 4.272 ( -0.124 23.597 -5.025) 24.126 4.272 ( -0.124 23.597 5.025) 24.126 5.264 ( 4.536 15.366 -3.926) 16.496 5.264 ( 4.536 15.366 3.926) 16.496 6.272 ( -1.785 -7.629 -6.589) 10.238 6.272 ( -1.785 -7.629 6.589) 10.238 7.701 ( 1.399 -1.986 -2.256) 3.315 7.701 ( 1.399 -1.986 2.256) 3.315 8.045 ( -5.482 9.865 -5.013) 12.349 8.045 ( -5.482 9.865 5.013) 12.349 8.527 ( 4.277 3.053 -4.965) 7.230 8.527 ( 4.277 3.053 4.965) 7.230 8.832 ( -2.267 6.666 -1.831) 7.276 8.832 ( -2.267 6.666 1.831) 7.276 9.851 ( 5.018 -2.875 -2.574) 6.330 9.851 ( 5.018 -2.875 2.574) 6.330 10.385 ( -4.265 -6.112 -7.872) 10.841 10.385 ( -4.265 -6.112 7.872) 10.841 11.839 ( 1.709 8.337 -1.315) 8.611 11.839 ( 1.709 8.337 1.315) 8.611 11.980 ( -0.573 12.306 -2.351) 12.542 11.980 ( -0.573 12.306 2.351) 12.542 12.690 ( -0.355 0.351 -4.356) 4.384 12.690 ( -0.355 0.351 4.356) 4.384 13.206 ( -1.767 -9.237 -11.151) 14.587 13.206 ( -1.767 -9.237 11.151) 14.587 16.363 ( 7.268 -10.886 -2.013) 13.243 16.363 ( 7.268 -10.886 2.013) 13.243 16.901 ( -6.065 -15.941 -1.825) 17.153 16.901 ( -6.065 -15.941 1.825) 17.153 28.752 ( 0.024 8.292 -1.282) 8.391 28.752 ( 0.024 8.292 1.282) 8.391 28.896 ( -0.038 11.462 -0.675) 11.482 28.896 ( -0.038 11.462 0.675) 11.482 31.628 ( 0.045 -0.770 -2.599) 2.712 31.628 ( 0.045 -0.770 2.599) 2.712 32.439 ( 0.017 -4.676 -0.108) 4.677 32.439 ( 0.017 -4.676 0.108) 4.677 84.044 ( 0.063 -6.300 -2.514) 6.783 84.044 ( 0.063 -6.300 2.514) 6.783 86.157 ( -0.802 -28.560 -13.850) 31.751 86.157 ( -0.802 -28.560 13.850) 31.751 ======================= Grid point 399 (129/144) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -4.531 13.002 -1.776) 13.883 2.187 ( -4.531 13.002 1.776) 13.883 3.368 ( 1.875 18.955 -3.575) 19.380 3.368 ( 1.875 18.955 3.575) 19.380 4.009 ( 1.078 17.656 -2.878) 17.922 4.009 ( 1.078 17.656 2.878) 17.922 4.269 ( -0.170 23.106 -2.488) 23.240 4.269 ( -0.170 23.106 2.488) 23.240 5.350 ( 3.262 14.688 -2.579) 15.265 5.350 ( 3.262 14.688 2.579) 15.265 6.235 ( -1.525 -8.126 -2.956) 8.781 6.235 ( -1.525 -8.126 2.956) 8.781 7.739 ( 2.159 -2.866 -2.212) 4.215 7.739 ( 2.159 -2.866 2.212) 4.215 7.942 ( -4.254 7.439 -2.983) 9.073 7.942 ( -4.254 7.439 2.983) 9.073 8.607 ( 3.390 8.287 -2.885) 9.407 8.607 ( 3.390 8.287 2.885) 9.407 8.780 ( -2.583 5.130 -1.329) 5.895 8.780 ( -2.583 5.130 1.329) 5.895 9.959 ( 4.957 -2.206 -3.054) 6.226 9.959 ( 4.957 -2.206 3.054) 6.226 10.291 ( -4.429 -6.978 -4.978) 9.649 10.291 ( -4.429 -6.978 4.978) 9.649 11.876 ( 1.662 9.411 -1.203) 9.632 11.876 ( 1.662 9.411 1.203) 9.632 11.963 ( -0.984 11.106 -1.450) 11.243 11.963 ( -0.984 11.106 1.450) 11.243 12.682 ( -0.330 -0.539 -1.846) 1.951 12.682 ( -0.330 -0.539 1.846) 1.951 13.177 ( -0.939 -8.236 -4.393) 9.381 13.177 ( -0.939 -8.236 4.393) 9.381 16.539 ( 10.823 -12.596 -0.574) 16.617 16.539 ( 10.823 -12.596 0.574) 16.617 16.745 ( -10.116 -14.478 -0.874) 17.684 16.745 ( -10.116 -14.478 0.874) 17.684 28.752 ( 0.015 8.354 -0.492) 8.369 28.752 ( 0.015 8.354 0.492) 8.369 28.895 ( -0.024 11.394 -0.260) 11.397 28.895 ( -0.024 11.394 0.260) 11.397 31.628 ( 0.027 -0.799 -0.991) 1.273 31.628 ( 0.027 -0.799 0.991) 1.273 32.439 ( 0.011 -4.669 -0.062) 4.669 32.439 ( 0.011 -4.669 0.062) 4.669 84.045 ( 0.039 -6.229 -0.972) 6.304 84.045 ( 0.039 -6.229 0.972) 6.304 86.143 ( -0.495 -28.211 -5.285) 28.706 86.143 ( -0.495 -28.211 5.285) 28.706 ======================= Grid point 405 (130/144) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.000 13.955 -1.412) 14.026 2.669 ( 0.000 13.955 1.412) 14.026 3.385 ( 0.000 2.627 -4.326) 5.061 3.385 ( 0.000 2.627 4.326) 5.061 4.189 ( 0.000 0.851 -9.323) 9.362 4.189 ( 0.000 0.851 9.323) 9.362 4.966 ( 0.000 39.729 -7.583) 40.446 4.966 ( 0.000 39.729 7.583) 40.446 5.679 ( 0.000 25.742 -3.372) 25.962 5.679 ( 0.000 25.742 3.372) 25.962 6.125 ( 0.000 -7.468 -6.822) 10.115 6.125 ( 0.000 -7.468 6.822) 10.115 7.645 ( 0.000 -2.041 -3.569) 4.111 7.645 ( 0.000 -2.041 3.569) 4.111 8.245 ( 0.000 -1.949 -7.102) 7.364 8.245 ( 0.000 -1.949 7.102) 7.364 8.477 ( 0.000 3.720 -0.421) 3.744 8.477 ( 0.000 3.720 0.421) 3.744 9.058 ( 0.000 11.431 -3.120) 11.850 9.058 ( 0.000 11.431 3.120) 11.850 9.762 ( 0.000 -0.751 -0.732) 1.049 9.762 ( 0.000 -0.751 0.732) 1.049 10.301 ( 0.000 -6.158 -5.276) 8.109 10.301 ( 0.000 -6.158 5.276) 8.109 12.028 ( 0.000 11.868 -0.997) 11.910 12.028 ( 0.000 11.868 0.997) 11.910 12.252 ( 0.000 12.555 -1.625) 12.659 12.252 ( 0.000 12.555 1.625) 12.659 12.712 ( 0.000 1.173 -3.803) 3.980 12.712 ( 0.000 1.173 3.803) 3.980 13.008 ( 0.000 -10.769 -9.566) 14.404 13.008 ( 0.000 -10.769 9.566) 14.404 16.059 ( 0.000 -12.344 -1.490) 12.434 16.059 ( 0.000 -12.344 1.490) 12.434 16.592 ( 0.000 -18.719 -1.268) 18.762 16.592 ( 0.000 -18.719 1.268) 18.762 28.944 ( 0.000 10.323 -2.241) 10.563 28.944 ( 0.000 10.323 2.241) 10.563 29.150 ( 0.000 12.724 -0.864) 12.753 29.150 ( 0.000 12.724 0.864) 12.753 31.615 ( 0.000 -0.303 -2.232) 2.252 31.615 ( 0.000 -0.303 2.232) 2.252 32.328 ( 0.000 -6.066 -0.695) 6.105 32.328 ( 0.000 -6.066 0.695) 6.105 83.908 ( 0.000 -6.558 -1.391) 6.704 83.908 ( 0.000 -6.558 1.391) 6.704 85.544 ( 0.000 -30.844 -9.659) 32.321 85.544 ( 0.000 -30.844 9.659) 32.321 ======================= Grid point 407 (131/144) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -6.199 15.182 -2.074) 16.529 2.596 ( -6.199 15.182 2.074) 16.529 3.453 ( 5.688 2.193 -4.591) 7.631 3.453 ( 5.688 2.193 4.591) 7.631 4.199 ( 1.043 1.629 -8.529) 8.746 4.199 ( 1.043 1.629 8.529) 8.746 4.966 ( -0.008 39.792 -5.983) 40.239 4.966 ( -0.008 39.792 5.983) 40.239 5.712 ( 3.332 24.943 -3.681) 25.433 5.712 ( 3.332 24.943 3.681) 25.433 6.100 ( -2.589 -7.842 -6.228) 10.344 6.100 ( -2.589 -7.842 6.228) 10.344 7.655 ( 1.165 -2.013 -3.139) 3.907 7.655 ( 1.165 -2.013 3.139) 3.907 8.129 ( -8.570 -1.653 -4.809) 9.965 8.129 ( -8.570 -1.653 4.809) 9.965 8.597 ( 9.248 4.291 -4.605) 11.187 8.597 ( 9.248 4.291 4.605) 11.187 9.022 ( -3.712 10.361 -3.553) 11.565 9.022 ( -3.712 10.361 3.553) 11.565 9.814 ( 5.273 -0.554 -1.982) 5.660 9.814 ( 5.273 -0.554 1.982) 5.660 10.261 ( -4.115 -5.698 -5.444) 8.890 10.261 ( -4.115 -5.698 5.444) 8.890 12.041 ( 1.422 11.131 -1.953) 11.390 12.041 ( 1.422 11.131 1.953) 11.390 12.239 ( -1.435 12.222 -1.536) 12.401 12.239 ( -1.435 12.222 1.536) 12.401 12.705 ( -0.621 1.440 -3.260) 3.618 12.705 ( -0.621 1.440 3.260) 3.618 13.000 ( -0.661 -10.248 -7.686) 12.828 13.000 ( -0.661 -10.248 7.686) 12.828 16.115 ( 5.782 -13.026 -1.100) 14.295 16.115 ( 5.782 -13.026 1.100) 14.295 16.545 ( -4.863 -18.163 -1.124) 18.837 16.545 ( -4.863 -18.163 1.124) 18.837 28.945 ( 0.127 10.391 -1.832) 10.552 28.945 ( 0.127 10.391 1.832) 10.552 29.148 ( -0.147 12.653 -0.719) 12.674 29.148 ( -0.147 12.653 0.719) 12.674 31.615 ( 0.025 -0.303 -1.806) 1.832 31.615 ( 0.025 -0.303 1.806) 1.832 32.328 ( 0.016 -6.073 -0.565) 6.099 32.328 ( 0.016 -6.073 0.565) 6.099 83.910 ( 0.182 -6.476 -1.144) 6.579 83.910 ( 0.182 -6.476 1.144) 6.579 85.538 ( -0.513 -30.762 -7.820) 31.744 85.538 ( -0.513 -30.762 7.820) 31.744 ======================= Grid point 409 (132/144) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -3.143 17.071 -0.982) 17.386 2.499 ( -3.143 17.071 0.982) 17.386 3.539 ( 2.679 1.515 -2.232) 3.802 3.539 ( 2.679 1.515 2.232) 3.802 4.220 ( 0.802 3.054 -3.860) 4.987 4.220 ( 0.802 3.054 3.860) 4.987 4.965 ( -0.043 39.917 -2.200) 39.977 4.965 ( -0.043 39.917 2.200) 39.977 5.784 ( 3.311 25.331 -2.591) 25.678 5.784 ( 3.311 25.331 2.591) 25.678 6.041 ( -2.854 -10.204 -3.432) 11.137 6.041 ( -2.854 -10.204 3.432) 11.137 7.684 ( 1.449 -2.087 -1.543) 2.973 7.684 ( 1.449 -2.087 1.543) 2.973 7.996 ( -4.584 -1.666 -1.916) 5.240 7.996 ( -4.584 -1.666 1.916) 5.240 8.764 ( 8.003 6.760 -4.568) 11.428 8.764 ( 8.003 6.760 4.568) 11.428 8.927 ( -6.022 7.831 -3.957) 10.642 8.927 ( -6.022 7.831 3.957) 10.642 9.933 ( 6.093 -0.193 -2.930) 6.764 9.933 ( 6.093 -0.193 2.930) 6.764 10.163 ( -5.347 -5.155 -4.199) 8.532 10.163 ( -5.347 -5.155 4.199) 8.532 12.074 ( 1.562 9.501 -1.695) 9.776 12.074 ( 1.562 9.501 1.695) 9.776 12.205 ( -1.655 12.049 -1.196) 12.221 12.205 ( -1.655 12.049 1.196) 12.221 12.694 ( -0.409 2.004 -1.339) 2.445 12.694 ( -0.409 2.004 1.339) 2.445 12.990 ( -0.289 -9.482 -2.883) 9.914 12.990 ( -0.289 -9.482 2.883) 9.914 16.256 ( 8.713 -14.659 -0.236) 17.054 16.256 ( 8.713 -14.659 0.236) 17.054 16.420 ( -8.163 -16.719 -0.628) 18.616 16.420 ( -8.163 -16.719 0.628) 18.616 28.948 ( 0.081 10.505 -0.712) 10.529 28.948 ( 0.081 10.505 0.712) 10.529 29.145 ( -0.093 12.535 -0.287) 12.539 29.145 ( -0.093 12.535 0.287) 12.539 31.616 ( 0.016 -0.303 -0.690) 0.754 31.616 ( 0.016 -0.303 0.690) 0.754 32.328 ( 0.010 -6.085 -0.217) 6.089 32.328 ( 0.010 -6.085 0.217) 6.089 83.913 ( 0.114 -6.342 -0.448) 6.359 83.913 ( 0.114 -6.342 0.448) 6.359 85.529 ( -0.318 -30.631 -2.991) 30.778 85.529 ( -0.318 -30.631 2.991) 30.778 ======================= Grid point 415 (133/144) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 0.000 13.862 -4.559) 14.592 2.964 ( 0.000 13.862 4.559) 14.592 3.428 ( 0.000 3.099 -0.330) 3.116 3.428 ( 0.000 3.099 0.330) 3.116 4.103 ( 0.000 -7.767 -8.753) 11.702 4.103 ( 0.000 -7.767 8.753) 11.702 5.626 ( 0.000 8.849 -3.293) 9.442 5.626 ( 0.000 8.849 3.293) 9.442 5.942 ( 0.000 14.723 -10.761) 18.236 5.942 ( 0.000 14.723 10.761) 18.236 6.300 ( 0.000 21.771 -1.954) 21.858 6.300 ( 0.000 21.771 1.954) 21.858 7.624 ( 0.000 0.565 -7.694) 7.715 7.624 ( 0.000 0.565 7.694) 7.715 8.122 ( 0.000 -7.537 -6.174) 9.743 8.122 ( 0.000 -7.537 6.174) 9.743 8.584 ( 0.000 5.573 -0.582) 5.603 8.584 ( 0.000 5.573 0.582) 5.603 9.267 ( 0.000 8.103 -4.156) 9.107 9.267 ( 0.000 8.103 4.156) 9.107 9.766 ( 0.000 0.931 -0.814) 1.237 9.766 ( 0.000 0.931 0.814) 1.237 10.186 ( 0.000 -4.864 -2.900) 5.662 10.186 ( 0.000 -4.864 2.900) 5.662 12.288 ( 0.000 13.088 -3.005) 13.429 12.288 ( 0.000 13.088 3.005) 13.429 12.448 ( 0.000 5.328 -4.764) 7.148 12.448 ( 0.000 5.328 4.764) 7.148 12.763 ( 0.000 4.636 -0.149) 4.638 12.763 ( 0.000 4.636 0.149) 4.638 12.820 ( 0.000 -6.843 -3.416) 7.649 12.820 ( 0.000 -6.843 3.416) 7.649 15.802 ( 0.000 -12.479 -0.236) 12.481 15.802 ( 0.000 -12.479 0.236) 12.481 16.223 ( 0.000 -16.948 -1.263) 16.995 16.223 ( 0.000 -16.948 1.263) 16.995 29.161 ( 0.000 10.599 -2.379) 10.862 29.161 ( 0.000 10.599 2.379) 10.862 29.395 ( 0.000 10.915 -0.807) 10.945 29.395 ( 0.000 10.915 0.807) 10.945 31.619 ( 0.000 0.760 -1.123) 1.356 31.619 ( 0.000 0.760 1.123) 1.356 32.197 ( 0.000 -6.630 -1.296) 6.756 32.197 ( 0.000 -6.630 1.296) 6.756 83.788 ( 0.000 -4.925 -0.376) 4.939 83.788 ( 0.000 -4.925 0.376) 4.939 84.947 ( 0.000 -26.921 -4.150) 27.239 84.947 ( 0.000 -26.921 4.150) 27.239 ======================= Grid point 417 (134/144) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -3.669 15.746 -3.988) 16.652 2.920 ( -3.669 15.746 3.988) 16.652 3.474 ( 3.692 1.113 -1.390) 4.099 3.474 ( 3.692 1.113 1.390) 4.099 4.133 ( 2.943 -6.660 -8.682) 11.331 4.133 ( 2.943 -6.660 8.682) 11.331 5.625 ( -0.146 6.848 -2.619) 7.333 5.625 ( -0.146 6.848 2.619) 7.333 5.923 ( -1.781 15.573 -8.619) 17.888 5.923 ( -1.781 15.573 8.619) 17.888 6.309 ( 0.875 22.151 -1.786) 22.240 6.309 ( 0.875 22.151 1.786) 22.240 7.638 ( 1.428 0.771 -6.645) 6.841 7.638 ( 1.428 0.771 6.645) 6.841 8.040 ( -6.946 -5.598 -4.889) 10.173 8.040 ( -6.946 -5.598 4.889) 10.173 8.684 ( 9.016 4.035 -3.479) 10.472 8.684 ( 9.016 4.035 3.479) 10.472 9.204 ( -6.190 6.688 -4.637) 10.225 9.204 ( -6.190 6.688 4.637) 10.225 9.825 ( 5.649 1.376 -1.533) 6.013 9.825 ( 5.649 1.376 1.533) 6.013 10.161 ( -2.730 -4.051 -3.218) 5.849 10.161 ( -2.730 -4.051 3.218) 5.849 12.273 ( -1.401 10.805 -2.914) 11.278 12.273 ( -1.401 10.805 2.914) 11.278 12.442 ( -0.574 7.004 -4.260) 8.218 12.442 ( -0.574 7.004 4.260) 8.218 12.764 ( 0.071 4.662 -0.932) 4.755 12.764 ( 0.071 4.662 0.932) 4.755 12.820 ( 0.038 -6.527 -2.915) 7.148 12.820 ( 0.038 -6.527 2.915) 7.148 15.847 ( 4.570 -12.953 -0.029) 13.736 15.847 ( 4.570 -12.953 0.029) 13.736 16.186 ( -3.791 -16.499 -1.212) 16.972 16.186 ( -3.791 -16.499 1.212) 16.972 29.164 ( 0.283 10.693 -1.961) 10.875 29.164 ( 0.283 10.693 1.961) 10.875 29.392 ( -0.309 10.816 -0.690) 10.842 29.392 ( -0.309 10.816 0.690) 10.842 31.619 ( 0.052 0.789 -0.910) 1.205 31.619 ( 0.052 0.789 0.910) 1.205 32.197 ( -0.016 -6.659 -1.048) 6.741 32.197 ( -0.016 -6.659 1.048) 6.741 83.792 ( 0.380 -4.794 -0.323) 4.820 83.792 ( 0.380 -4.794 0.323) 4.820 84.942 ( -0.494 -26.979 -3.368) 27.193 84.942 ( -0.494 -26.979 3.368) 27.193 ======================= Grid point 419 (135/144) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -1.743 18.258 -1.626) 18.413 2.864 ( -1.743 18.258 1.626) 18.413 3.527 ( 1.561 -1.588 -0.876) 2.393 3.527 ( 1.561 -1.588 0.876) 2.393 4.188 ( 2.129 -4.727 -4.236) 6.695 4.188 ( 2.129 -4.727 4.236) 6.695 5.621 ( -0.191 2.836 -1.121) 3.056 5.621 ( -0.191 2.836 1.121) 3.056 5.892 ( -1.093 17.608 -3.164) 17.924 5.892 ( -1.093 17.608 3.164) 17.924 6.324 ( 0.517 22.783 -0.780) 22.802 6.324 ( 0.517 22.783 0.780) 22.802 7.672 ( 1.714 1.296 -3.217) 3.869 7.672 ( 1.714 1.296 3.217) 3.869 7.923 ( -4.311 -4.326 -2.397) 6.561 7.923 ( -4.311 -4.326 2.397) 6.561 8.871 ( 10.375 3.645 -4.763) 11.983 8.871 ( 10.375 3.645 4.763) 11.983 9.057 ( -9.193 4.543 -5.015) 11.415 9.057 ( -9.193 4.543 5.015) 11.415 9.945 ( 6.223 1.075 -2.449) 6.774 9.945 ( 6.223 1.075 2.449) 6.774 10.088 ( -4.650 -2.292 -3.099) 6.040 10.088 ( -4.650 -2.292 3.099) 6.040 12.249 ( -0.845 7.501 -1.349) 7.668 12.249 ( -0.845 7.501 1.349) 7.668 12.431 ( -0.423 9.349 -1.849) 9.539 12.431 ( -0.423 9.349 1.849) 9.539 12.765 ( 0.018 4.665 -0.552) 4.698 12.765 ( 0.018 4.665 0.552) 4.698 12.822 ( 0.090 -6.017 -1.183) 6.133 12.822 ( 0.090 -6.017 1.183) 6.133 15.958 ( 6.861 -14.237 -0.516) 15.813 15.958 ( 6.861 -14.237 0.516) 15.813 16.089 ( -6.388 -15.248 -0.975) 16.560 16.089 ( -6.388 -15.248 0.975) 16.560 29.169 ( 0.184 10.858 -0.774) 10.887 29.169 ( 0.184 10.858 0.774) 10.887 29.386 ( -0.200 10.643 -0.289) 10.648 29.386 ( -0.200 10.643 0.289) 10.648 31.620 ( 0.032 0.837 -0.348) 0.907 31.620 ( 0.032 0.837 0.348) 0.907 32.196 ( -0.010 -6.705 -0.400) 6.717 32.196 ( -0.010 -6.705 0.400) 6.717 83.799 ( 0.238 -4.577 -0.135) 4.586 83.799 ( 0.238 -4.577 0.135) 4.586 84.933 ( -0.309 -27.079 -1.293) 27.112 84.933 ( -0.309 -27.079 1.293) 27.112 ======================= Grid point 425 (136/144) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 0.000 4.801 -9.058) 10.251 3.164 ( 0.000 4.801 9.058) 10.251 3.585 ( 0.000 13.226 -2.123) 13.395 3.585 ( 0.000 13.226 2.123) 13.395 3.911 ( 0.000 -10.230 -5.982) 11.851 3.911 ( 0.000 -10.230 5.982) 11.851 5.404 ( 0.000 -17.919 -8.277) 19.738 5.404 ( 0.000 -17.919 8.277) 19.738 6.450 ( 0.000 22.107 -3.844) 22.438 6.450 ( 0.000 22.107 3.844) 22.438 6.669 ( 0.000 13.982 -2.356) 14.179 6.669 ( 0.000 13.982 2.356) 14.179 7.680 ( 0.000 4.663 -10.633) 11.610 7.680 ( 0.000 4.663 10.633) 11.610 7.980 ( 0.000 -5.836 -2.427) 6.321 7.980 ( 0.000 -5.836 2.427) 6.321 8.703 ( 0.000 6.152 -0.313) 6.160 8.703 ( 0.000 6.152 0.313) 6.160 9.370 ( 0.000 2.196 -4.625) 5.120 9.370 ( 0.000 2.196 4.625) 5.120 9.794 ( 0.000 1.575 -0.642) 1.701 9.794 ( 0.000 1.575 0.642) 1.701 10.104 ( 0.000 -3.244 -1.412) 3.538 10.104 ( 0.000 -3.244 1.412) 3.538 12.472 ( 0.000 -0.232 -10.344) 10.347 12.472 ( 0.000 -0.232 10.344) 10.347 12.546 ( 0.000 10.561 -4.315) 11.409 12.546 ( 0.000 10.561 4.315) 11.409 12.738 ( 0.000 -1.560 -1.755) 2.348 12.738 ( 0.000 -1.560 1.755) 2.348 12.894 ( 0.000 7.092 -3.254) 7.803 12.894 ( 0.000 7.092 3.254) 7.803 15.564 ( 0.000 -10.371 -0.595) 10.388 15.564 ( 0.000 -10.371 0.595) 10.388 15.914 ( 0.000 -13.092 -1.642) 13.195 15.914 ( 0.000 -13.092 1.642) 13.195 29.364 ( 0.000 9.031 -2.094) 9.271 29.364 ( 0.000 9.031 2.094) 9.271 29.582 ( 0.000 7.201 -0.495) 7.218 29.582 ( 0.000 7.201 0.495) 7.218 31.649 ( 0.000 2.172 -0.051) 2.173 31.649 ( 0.000 2.172 0.051) 2.173 32.062 ( 0.000 -6.464 -1.691) 6.682 32.062 ( 0.000 -6.464 1.691) 6.682 83.714 ( 0.000 -2.139 -0.173) 2.146 83.714 ( 0.000 -2.139 0.173) 2.146 84.464 ( 0.000 -20.179 -0.889) 20.199 84.464 ( 0.000 -20.179 0.889) 20.199 ======================= Grid point 427 (137/144) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 1.611 7.933 -8.185) 11.511 3.180 ( 1.611 7.933 8.185) 11.511 3.555 ( -2.813 8.012 -2.733) 8.921 3.555 ( -2.813 8.012 2.733) 8.921 3.975 ( 5.899 -7.338 -6.917) 11.683 3.975 ( 5.899 -7.338 6.917) 11.683 5.374 ( -2.847 -18.658 -7.675) 20.375 5.374 ( -2.847 -18.658 7.675) 20.375 6.450 ( 0.011 22.944 -3.275) 23.176 6.450 ( 0.011 22.944 3.275) 23.176 6.674 ( 0.431 13.253 -2.162) 13.435 6.674 ( 0.431 13.253 2.162) 13.435 7.695 ( 1.649 4.567 -9.528) 10.694 7.695 ( 1.649 4.567 9.528) 10.694 7.937 ( -4.142 -4.040 -3.052) 6.542 7.937 ( -4.142 -4.040 3.052) 6.542 8.769 ( 6.611 4.499 -2.715) 8.445 8.769 ( 6.611 4.499 2.715) 8.445 9.287 ( -7.769 1.773 -4.642) 9.222 9.287 ( -7.769 1.773 4.642) 9.222 9.858 ( 5.679 1.533 -0.962) 5.961 9.858 ( 5.679 1.533 0.962) 5.961 10.094 ( -1.176 -2.613 -1.658) 3.310 10.094 ( -1.176 -2.613 1.658) 3.310 12.431 ( -3.317 3.548 -5.671) 7.466 12.431 ( -3.317 3.548 5.671) 7.466 12.550 ( -0.035 4.935 -0.666) 4.979 12.550 ( -0.035 4.935 0.666) 4.979 12.759 ( 1.919 0.745 -2.289) 3.079 12.759 ( 1.919 0.745 2.289) 3.079 12.886 ( -0.807 6.506 -3.137) 7.268 12.886 ( -0.807 6.506 3.137) 7.268 15.601 ( 3.755 -10.663 -0.752) 11.330 15.601 ( 3.755 -10.663 0.752) 11.330 15.886 ( -2.940 -12.749 -1.592) 13.180 15.886 ( -2.940 -12.749 1.592) 13.180 29.369 ( 0.512 9.175 -1.755) 9.355 29.369 ( 0.512 9.175 1.755) 9.355 29.576 ( -0.551 7.050 -0.470) 7.087 29.576 ( -0.551 7.050 0.470) 7.087 31.650 ( 0.144 2.243 -0.050) 2.249 31.650 ( 0.144 2.243 0.050) 2.249 32.061 ( -0.102 -6.530 -1.372) 6.673 32.061 ( -0.102 -6.530 1.372) 6.673 83.722 ( 0.723 -1.895 -0.143) 2.034 83.722 ( 0.723 -1.895 0.143) 2.034 84.456 ( -0.752 -20.398 -0.723) 20.425 84.456 ( -0.752 -20.398 0.723) 20.425 ======================= Grid point 429 (138/144) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 1.521 14.711 -3.918) 15.300 3.214 ( 1.521 14.711 3.918) 15.300 3.503 ( -2.085 -0.103 -1.726) 2.709 3.503 ( -2.085 -0.103 1.726) 2.709 4.079 ( 3.738 -4.481 -3.598) 6.855 4.079 ( 3.738 -4.481 3.598) 6.855 5.321 ( -2.046 -20.047 -3.628) 20.475 5.321 ( -2.046 -20.047 3.628) 20.475 6.450 ( -0.006 24.217 -1.342) 24.254 6.450 ( -0.006 24.217 1.342) 24.254 6.682 ( 0.300 12.136 -0.956) 12.178 6.682 ( 0.300 12.136 0.956) 12.178 7.738 ( 2.532 4.568 -5.798) 7.803 7.738 ( 2.532 4.568 5.798) 7.803 7.853 ( -3.896 -1.890 -3.329) 5.462 7.853 ( -3.896 -1.890 3.329) 5.462 8.925 ( 9.473 2.108 -4.002) 10.497 8.925 ( 9.473 2.108 4.002) 10.497 9.117 ( -9.839 1.649 -4.503) 10.945 9.117 ( -9.839 1.649 4.503) 10.945 9.965 ( 5.090 0.729 -1.430) 5.337 9.965 ( 5.090 0.729 1.430) 5.337 10.057 ( -2.822 -1.106 -1.747) 3.498 10.057 ( -2.822 -1.106 1.747) 3.498 12.379 ( -1.686 5.313 -1.696) 5.826 12.379 ( -1.686 5.313 1.696) 5.826 12.545 ( -0.264 1.533 -0.243) 1.574 12.545 ( -0.265 1.533 0.243) 1.574 12.794 ( 1.389 3.551 -1.679) 4.166 12.794 ( 1.389 3.551 1.679) 4.166 12.869 ( -0.836 5.129 -1.936) 5.546 12.869 ( -0.836 5.129 1.936) 5.546 15.689 ( 4.987 -11.591 -0.963) 12.655 15.689 ( 4.987 -11.591 0.963) 12.655 15.812 ( -4.489 -11.738 -1.281) 12.632 15.812 ( -4.489 -11.738 1.281) 12.632 29.379 ( 0.350 9.453 -0.717) 9.487 29.379 ( 0.350 9.453 0.717) 9.487 29.566 ( -0.374 6.759 -0.231) 6.773 29.566 ( -0.374 6.759 0.231) 6.773 31.653 ( 0.090 2.361 -0.024) 2.362 31.653 ( 0.090 2.361 0.024) 2.362 32.059 ( -0.064 -6.639 -0.526) 6.660 32.059 ( -0.064 -6.639 0.526) 6.660 83.735 ( 0.464 -1.469 -0.057) 1.541 83.735 ( 0.464 -1.469 0.057) 1.541 84.442 ( -0.481 -20.785 -0.278) 20.792 84.442 ( -0.481 -20.785 0.278) 20.792 ======================= Grid point 435 (139/144) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 0.000 0.702 -6.159) 6.199 3.207 ( 0.000 0.702 6.159) 6.199 3.719 ( 0.000 -7.635 -2.424) 8.010 3.719 ( 0.000 -7.635 2.424) 8.010 3.913 ( 0.000 16.834 -0.613) 16.845 3.913 ( 0.000 16.834 0.613) 16.845 5.015 ( 0.000 -18.682 -6.541) 19.794 5.015 ( 0.000 -18.682 6.541) 19.794 6.728 ( 0.000 6.418 -3.035) 7.099 6.728 ( 0.000 6.418 3.035) 7.099 6.904 ( 0.000 8.527 -1.886) 8.734 6.904 ( 0.000 8.527 1.886) 8.734 7.785 ( 0.000 4.679 -12.200) 13.066 7.785 ( 0.000 4.679 12.200) 13.066 7.896 ( 0.000 -2.382 -4.757) 5.321 7.896 ( 0.000 -2.382 4.757) 5.321 8.822 ( 0.000 4.868 -1.125) 4.996 8.822 ( 0.000 4.868 1.125) 4.996 9.381 ( 0.000 -0.446 -3.116) 3.148 9.381 ( 0.000 -0.446 3.116) 3.148 9.820 ( 0.000 0.822 -0.135) 0.833 9.820 ( 0.000 0.822 0.135) 0.833 10.051 ( 0.000 -1.999 -0.677) 2.110 10.051 ( 0.000 -1.999 0.677) 2.110 12.464 ( 0.000 -0.050 -6.527) 6.527 12.464 ( 0.000 -0.050 6.527) 6.527 12.678 ( 0.000 1.203 -2.108) 2.427 12.678 ( 0.000 1.203 2.108) 2.427 12.775 ( 0.000 5.333 -0.237) 5.338 12.775 ( 0.000 5.333 0.237) 5.338 13.017 ( 0.000 4.489 -2.477) 5.127 13.017 ( 0.000 4.489 2.477) 5.127 15.397 ( 0.000 -5.678 -0.660) 5.716 15.397 ( 0.000 -5.678 0.660) 5.716 15.696 ( 0.000 -7.897 -1.332) 8.009 15.696 ( 0.000 -7.897 1.332) 8.009 29.517 ( 0.000 5.589 -1.352) 5.750 29.517 ( 0.000 5.589 1.352) 5.750 29.686 ( 0.000 3.034 -0.095) 3.035 29.686 ( 0.000 3.034 0.095) 3.035 31.706 ( 0.000 3.325 -0.765) 3.412 31.706 ( 0.000 3.325 0.765) 3.412 31.938 ( 0.000 -5.521 -1.680) 5.771 31.938 ( 0.000 -5.521 1.680) 5.771 83.702 ( 0.000 0.756 -0.377) 0.845 83.702 ( 0.000 0.756 0.377) 0.845 84.132 ( 0.000 -12.090 -0.454) 12.099 84.132 ( 0.000 -12.090 0.454) 12.099 ======================= Grid point 437 (140/144) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 5.142 1.316 -5.727) 7.808 3.256 ( 5.142 1.316 5.727) 7.808 3.669 ( -5.063 -1.519 -2.365) 5.791 3.669 ( -5.063 -1.519 2.365) 5.791 3.980 ( 6.355 11.067 -2.999) 13.109 3.980 ( 6.355 11.067 2.999) 13.109 4.972 ( -4.297 -19.480 -6.163) 20.879 4.972 ( -4.297 -19.480 6.163) 20.879 6.746 ( 1.823 6.850 -3.169) 7.764 6.746 ( 1.823 6.850 3.169) 7.764 6.890 ( -1.401 8.018 -2.498) 8.514 6.890 ( -1.401 8.018 2.498) 8.514 7.795 ( 0.990 4.355 -10.565) 11.470 7.795 ( 0.990 4.355 10.565) 11.470 7.884 ( -1.162 -1.193 -3.749) 4.102 7.884 ( -1.162 -1.193 3.749) 4.102 8.860 ( 4.045 3.866 -1.962) 5.930 8.860 ( 4.045 3.866 1.962) 5.930 9.297 ( -7.734 -0.269 -3.073) 8.326 9.297 ( -7.734 -0.269 3.073) 8.326 9.879 ( 5.182 0.569 -0.307) 5.222 9.879 ( 5.182 0.569 0.307) 5.222 10.050 ( -0.189 -1.673 -0.731) 1.836 10.050 ( -0.189 -1.673 0.731) 1.836 12.462 ( -0.100 0.698 -6.094) 6.134 12.462 ( -0.100 0.698 6.094) 6.134 12.618 ( -4.412 1.536 -3.180) 5.652 12.618 ( -4.412 1.536 3.180) 5.652 12.828 ( 3.796 4.446 -2.113) 6.216 12.828 ( 3.796 4.446 2.113) 6.216 13.001 ( -1.683 4.242 -2.474) 5.191 13.001 ( -1.683 4.242 2.474) 5.191 15.430 ( 3.309 -5.796 -0.750) 6.716 15.430 ( 3.309 -5.796 0.750) 6.716 15.674 ( -2.381 -7.723 -1.288) 8.184 15.674 ( -2.381 -7.723 1.288) 8.184 29.526 ( 0.908 5.822 -1.186) 6.010 29.526 ( 0.908 5.822 1.186) 6.010 29.676 ( -0.959 2.796 -0.248) 2.966 29.676 ( -0.959 2.796 0.248) 2.966 31.710 ( 0.370 3.517 -0.653) 3.596 31.710 ( 0.370 3.517 0.653) 3.596 31.935 ( -0.318 -5.710 -1.391) 5.885 31.935 ( -0.318 -5.710 1.391) 5.885 83.717 ( 1.481 1.309 -0.343) 2.006 83.717 ( 1.481 1.309 0.343) 2.006 84.116 ( -1.482 -12.636 -0.401) 12.729 84.116 ( -1.482 -12.636 0.401) 12.729 ======================= Grid point 439 (141/144) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 8.212 2.525 -4.548) 9.721 3.385 ( 8.212 2.525 4.548) 9.721 3.543 ( -8.079 2.138 -3.166) 8.937 3.543 ( -8.079 2.138 3.166) 8.937 4.099 ( 4.619 8.614 -2.217) 10.023 4.099 ( 4.619 8.614 2.217) 10.023 4.887 ( -3.446 -21.633 -3.145) 22.131 4.887 ( -3.446 -21.633 3.145) 22.131 6.788 ( 2.235 8.608 -2.789) 9.321 6.788 ( 2.235 8.608 2.789) 9.321 6.856 ( -1.963 6.129 -2.638) 6.956 6.856 ( -1.963 6.129 2.638) 6.956 7.820 ( 1.548 2.975 -6.219) 7.066 7.820 ( 1.548 2.975 6.219) 7.066 7.856 ( -1.681 1.542 -2.488) 3.375 7.856 ( -1.681 1.542 2.488) 3.375 8.967 ( 7.156 1.981 -2.657) 7.886 8.967 ( 7.156 1.981 2.657) 7.886 9.135 ( -8.854 0.253 -2.933) 9.330 9.135 ( -8.854 0.253 2.933) 9.330 9.973 ( 4.128 0.080 -0.498) 4.159 9.973 ( 4.128 0.080 0.498) 4.159 10.035 ( -1.589 -0.996 -0.679) 1.994 10.035 ( -1.589 -0.996 0.679) 1.994 12.463 ( 0.237 2.858 -3.513) 4.535 12.463 ( 0.237 2.858 3.513) 4.535 12.550 ( -2.352 -0.072 -2.436) 3.387 12.550 ( -2.352 -0.072 2.436) 3.387 12.893 ( 2.945 4.490 -2.049) 5.748 12.893 ( 2.945 4.490 2.049) 5.748 12.961 ( -2.323 3.567 -2.154) 4.771 12.961 ( -2.323 3.567 2.154) 4.771 15.506 ( 4.198 -5.993 -0.821) 7.363 15.506 ( 4.198 -5.993 0.821) 7.363 15.614 ( -3.633 -7.439 -1.023) 8.342 15.614 ( -3.633 -7.439 1.023) 8.342 29.544 ( 0.750 6.472 -0.554) 6.539 29.544 ( 0.750 6.472 0.554) 6.539 29.657 ( -0.781 2.137 -0.215) 2.285 29.657 ( -0.781 2.137 0.215) 2.285 31.717 ( 0.241 3.868 -0.273) 3.885 31.717 ( 0.241 3.868 0.273) 3.885 31.929 ( -0.209 -6.054 -0.554) 6.083 31.929 ( -0.209 -6.054 0.554) 6.083 83.745 ( 1.063 2.544 -0.162) 2.762 83.745 ( 1.063 2.544 0.162) 2.762 84.089 ( -1.064 -13.860 -0.182) 13.902 84.089 ( -1.064 -13.860 0.182) 13.902 ======================= Grid point 445 (142/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 -0.000 0.000) 0.000 4.766 ( 0.000 -0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 -0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 -0.000 -0.000) 0.000 7.877 ( 0.000 -0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 0.000 0.000) 0.000 12.465 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 15.611 ( 0.000 0.000 0.000) 0.000 15.611 ( 0.000 0.000 0.000) 0.000 29.577 ( 0.000 0.000 0.000) 0.000 29.577 ( 0.000 0.000 0.000) 0.000 29.714 ( 0.000 0.000 0.000) 0.000 29.714 ( 0.000 0.000 0.000) 0.000 31.759 ( 0.000 0.000 0.000) 0.000 31.759 ( 0.000 -0.000 0.000) 0.000 31.863 ( 0.000 0.000 0.000) 0.000 31.863 ( 0.000 0.000 0.000) 0.000 83.720 ( 0.000 0.000 0.000) 0.000 83.720 ( 0.000 0.000 0.000) 0.000 83.997 ( 0.000 0.000 0.000) 0.000 83.997 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 449 (143/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 5.607 0.000 0.000) 5.607 3.268 ( 5.607 0.000 0.000) 5.607 3.627 ( -1.604 0.000 0.000) 1.604 3.627 ( -1.604 0.000 0.000) 1.604 4.183 ( 4.780 0.000 0.000) 4.780 4.183 ( 4.780 0.000 0.000) 4.780 4.704 ( -6.470 -0.000 0.000) 6.470 4.704 ( -6.470 -0.000 0.000) 6.470 6.807 ( 2.168 0.000 0.000) 2.168 6.807 ( 2.168 0.000 0.000) 2.168 6.972 ( -1.856 0.000 0.000) 1.856 6.972 ( -1.856 0.000 0.000) 1.856 7.843 ( 0.799 0.000 -0.000) 0.799 7.843 ( 0.799 0.000 0.000) 0.799 7.876 ( -0.159 -0.000 -0.000) 0.159 7.876 ( -0.159 -0.000 0.000) 0.159 8.904 ( 3.054 0.000 0.000) 3.054 8.904 ( 3.054 0.000 0.000) 3.054 9.292 ( -7.513 0.000 0.000) 7.513 9.292 ( -7.513 0.000 0.000) 7.513 9.884 ( 4.940 0.000 0.000) 4.940 9.884 ( 4.940 0.000 0.000) 4.940 10.032 ( 0.135 0.000 0.000) 0.135 10.032 ( 0.135 0.000 0.000) 0.135 12.470 ( 0.607 0.000 0.000) 0.607 12.470 ( 0.607 0.000 0.000) 0.607 12.631 ( -4.393 0.000 0.000) 4.393 12.631 ( -4.393 0.000 0.000) 4.393 12.881 ( 3.249 0.000 0.000) 3.249 12.881 ( 3.249 0.000 0.000) 3.249 13.046 ( -1.909 0.000 0.000) 1.909 13.046 ( -1.909 0.000 0.000) 1.909 15.371 ( 3.216 0.000 0.000) 3.216 15.371 ( 3.216 0.000 0.000) 3.216 15.590 ( -2.230 0.000 0.000) 2.230 15.590 ( -2.230 0.000 0.000) 2.230 29.590 ( 1.332 0.000 0.000) 1.332 29.590 ( 1.332 0.000 0.000) 1.332 29.701 ( -1.389 -0.000 0.000) 1.389 29.701 ( -1.389 0.000 0.000) 1.389 31.769 ( 1.064 -0.000 0.000) 1.064 31.769 ( 1.064 -0.000 0.000) 1.064 31.853 ( -1.008 0.000 0.000) 1.008 31.853 ( -1.008 0.000 0.000) 1.008 83.747 ( 2.745 0.000 0.000) 2.745 83.747 ( 2.745 0.000 0.000) 2.745 83.971 ( -2.741 0.000 0.000) 2.741 83.971 ( -2.741 0.000 0.000) 2.741 ======================= Grid point 453 (144/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 8.332 0.000 0.000) 8.332 3.404 ( 8.332 0.000 0.000) 8.332 3.550 ( -6.554 0.000 -0.000) 6.554 3.550 ( -6.554 0.000 0.000) 6.554 4.330 ( 10.484 0.000 0.000) 10.484 4.330 ( 10.484 0.000 0.000) 10.484 4.538 ( -10.849 -0.000 0.000) 10.849 4.538 ( -10.849 0.000 0.000) 10.849 6.861 ( 3.377 0.000 0.000) 3.377 6.861 ( 3.377 0.000 0.000) 3.377 6.924 ( -3.174 0.000 0.000) 3.174 6.924 ( -3.174 0.000 0.000) 3.174 7.859 ( 0.786 0.000 -0.000) 0.786 7.859 ( 0.786 0.000 0.000) 0.786 7.870 ( -0.421 -0.000 -0.000) 0.421 7.870 ( -0.421 -0.000 0.000) 0.421 8.992 ( 6.407 0.000 0.000) 6.407 8.992 ( 6.407 0.000 0.000) 6.407 9.135 ( -8.597 0.000 0.000) 8.597 9.135 ( -8.597 0.000 0.000) 8.597 9.973 ( 3.988 0.000 0.000) 3.988 9.973 ( 3.988 0.000 0.000) 3.988 10.023 ( -1.377 0.000 0.000) 1.377 10.023 ( -1.377 0.000 0.000) 1.377 12.493 ( 2.057 -0.000 0.000) 2.057 12.493 ( 2.057 0.000 0.000) 2.057 12.550 ( -3.938 -0.000 0.000) 3.938 12.550 ( -3.938 0.000 0.000) 3.938 12.943 ( 3.242 0.000 0.000) 3.242 12.943 ( 3.242 0.000 0.000) 3.242 13.000 ( -2.879 0.000 0.000) 2.879 13.000 ( -2.879 0.000 0.000) 2.879 15.447 ( 4.640 0.000 0.000) 4.640 15.447 ( 4.640 0.000 0.000) 4.640 15.531 ( -4.040 -0.000 -0.000) 4.040 15.531 ( -4.040 0.000 0.000) 4.040 29.624 ( 2.181 0.000 0.000) 2.181 29.624 ( 2.181 0.000 0.000) 2.181 29.666 ( -2.216 -0.000 0.000) 2.216 29.666 ( -2.216 -0.000 0.000) 2.216 31.795 ( 1.691 -0.000 0.000) 1.691 31.795 ( 1.691 -0.000 0.000) 1.691 31.828 ( -1.657 0.000 0.000) 1.657 31.828 ( -1.657 0.000 0.000) 1.657 83.816 ( 4.440 -0.000 0.000) 4.440 83.816 ( 4.440 0.000 0.000) 4.440 83.902 ( -4.437 -0.000 0.000) 4.437 83.902 ( -4.437 0.000 0.000) 4.437 =================== 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 3/33600 10.0 7167.895 8748.020 8143.666 0.000 0.000 -0.000 3/33600 20.0 913.237 1612.620 1042.235 0.000 0.000 -0.000 3/33600 30.0 355.391 773.470 395.272 0.000 0.000 -0.000 3/33600 40.0 197.008 460.790 208.848 0.000 0.000 -0.000 3/33600 50.0 127.086 306.144 129.946 0.000 0.000 -0.000 3/33600 60.0 89.240 217.781 89.023 0.000 0.000 -0.000 3/33600 70.0 66.386 162.891 65.096 0.000 0.000 -0.000 3/33600 80.0 51.583 126.787 49.955 0.000 0.000 -0.000 3/33600 90.0 41.488 101.965 39.809 0.000 0.000 -0.000 3/33600 100.0 34.317 84.261 32.698 0.000 0.000 -0.000 3/33600 110.0 29.047 71.231 27.529 0.000 0.000 -0.000 3/33600 120.0 25.061 61.373 23.655 0.000 0.000 -0.000 3/33600 130.0 21.971 53.734 20.674 0.000 0.000 -0.000 3/33600 140.0 19.521 47.686 18.328 0.000 0.000 -0.000 3/33600 150.0 17.543 42.808 16.443 0.000 0.000 -0.000 3/33600 160.0 15.919 38.808 14.903 0.000 0.000 -0.000 3/33600 170.0 14.564 35.478 13.625 0.000 0.000 -0.000 3/33600 180.0 13.421 32.670 12.549 0.000 0.000 -0.000 3/33600 190.0 12.444 30.273 11.632 0.000 0.000 -0.000 3/33600 200.0 11.600 28.207 10.843 0.000 0.000 -0.000 3/33600 210.0 10.865 26.409 10.156 0.000 0.000 -0.000 3/33600 220.0 10.218 24.831 9.553 0.000 0.000 -0.000 3/33600 230.0 9.646 23.435 9.020 0.000 0.000 -0.000 3/33600 240.0 9.136 22.192 8.546 0.000 0.000 -0.000 3/33600 250.0 8.678 21.079 8.120 0.000 0.000 -0.000 3/33600 260.0 8.266 20.075 7.737 0.000 0.000 -0.000 3/33600 270.0 7.891 19.166 7.389 0.000 0.000 -0.000 3/33600 280.0 7.551 18.339 7.073 0.000 0.000 -0.000 3/33600 290.0 7.239 17.583 6.783 0.000 0.000 -0.000 3/33600 300.0 6.953 16.890 6.518 0.000 0.000 -0.000 3/33600 310.0 6.689 16.251 6.273 0.000 0.000 -0.000 3/33600 320.0 6.445 15.661 6.046 0.000 0.000 -0.000 3/33600 330.0 6.219 15.114 5.836 0.000 0.000 -0.000 3/33600 340.0 6.008 14.605 5.640 0.000 0.000 -0.000 3/33600 350.0 5.812 14.131 5.458 0.000 0.000 -0.000 3/33600 360.0 5.629 13.688 5.287 0.000 0.000 -0.000 3/33600 370.0 5.457 13.274 5.128 0.000 0.000 -0.000 3/33600 380.0 5.295 12.884 4.977 0.000 0.000 -0.000 3/33600 390.0 5.144 12.518 4.836 0.000 0.000 -0.000 3/33600 400.0 5.000 12.173 4.703 0.000 0.000 -0.000 3/33600 410.0 4.865 11.847 4.577 0.000 0.000 -0.000 3/33600 420.0 4.737 11.539 4.458 0.000 0.000 -0.000 3/33600 430.0 4.616 11.247 4.345 0.000 0.000 -0.000 3/33600 440.0 4.501 10.970 4.238 0.000 0.000 -0.000 3/33600 450.0 4.392 10.706 4.136 0.000 0.000 -0.000 3/33600 460.0 4.288 10.456 4.039 0.000 0.000 -0.000 3/33600 470.0 4.189 10.217 3.946 0.000 0.000 -0.000 3/33600 480.0 4.095 9.990 3.858 0.000 0.000 -0.000 3/33600 490.0 4.005 9.773 3.774 0.000 0.000 -0.000 3/33600 500.0 3.919 9.565 3.693 0.000 0.000 -0.000 3/33600 510.0 3.836 9.366 3.616 0.000 0.000 -0.000 3/33600 520.0 3.757 9.176 3.542 0.000 0.000 -0.000 3/33600 530.0 3.681 8.993 3.471 0.000 0.000 -0.000 3/33600 540.0 3.609 8.818 3.403 0.000 0.000 -0.000 3/33600 550.0 3.539 8.649 3.338 0.000 0.000 -0.000 3/33600 560.0 3.472 8.488 3.275 0.000 0.000 -0.000 3/33600 570.0 3.407 8.332 3.215 0.000 0.000 -0.000 3/33600 580.0 3.345 8.182 3.156 0.000 0.000 -0.000 3/33600 590.0 3.285 8.037 3.100 0.000 0.000 -0.000 3/33600 600.0 3.227 7.898 3.046 0.000 0.000 -0.000 3/33600 610.0 3.171 7.764 2.994 0.000 0.000 -0.000 3/33600 620.0 3.118 7.634 2.943 0.000 0.000 -0.000 3/33600 630.0 3.066 7.508 2.895 0.000 0.000 -0.000 3/33600 640.0 3.015 7.387 2.847 0.000 0.000 -0.000 3/33600 650.0 2.967 7.269 2.802 0.000 0.000 -0.000 3/33600 660.0 2.920 7.156 2.758 0.000 0.000 -0.000 3/33600 670.0 2.874 7.046 2.715 0.000 0.000 -0.000 3/33600 680.0 2.830 6.939 2.673 0.000 0.000 -0.000 3/33600 690.0 2.787 6.836 2.633 0.000 0.000 -0.000 3/33600 700.0 2.745 6.735 2.594 0.000 0.000 -0.000 3/33600 710.0 2.705 6.638 2.556 0.000 0.000 -0.000 3/33600 720.0 2.666 6.544 2.520 0.000 0.000 -0.000 3/33600 730.0 2.628 6.452 2.484 0.000 0.000 -0.000 3/33600 740.0 2.591 6.363 2.449 0.000 0.000 -0.000 3/33600 750.0 2.555 6.276 2.416 0.000 0.000 -0.000 3/33600 760.0 2.520 6.191 2.383 0.000 0.000 -0.000 3/33600 770.0 2.486 6.109 2.351 0.000 0.000 -0.000 3/33600 780.0 2.453 6.030 2.320 0.000 0.000 -0.000 3/33600 790.0 2.421 5.952 2.290 0.000 0.000 -0.000 3/33600 800.0 2.390 5.876 2.260 0.000 0.000 -0.000 3/33600 810.0 2.359 5.802 2.231 0.000 0.000 -0.000 3/33600 820.0 2.329 5.730 2.203 0.000 0.000 -0.000 3/33600 830.0 2.300 5.660 2.176 0.000 0.000 -0.000 3/33600 840.0 2.272 5.592 2.150 0.000 0.000 -0.000 3/33600 850.0 2.245 5.525 2.124 0.000 0.000 -0.000 3/33600 860.0 2.218 5.460 2.098 0.000 0.000 -0.000 3/33600 870.0 2.191 5.396 2.074 0.000 0.000 -0.000 3/33600 880.0 2.166 5.334 2.049 0.000 0.000 -0.000 3/33600 890.0 2.141 5.273 2.026 0.000 0.000 -0.000 3/33600 900.0 2.116 5.214 2.003 0.000 0.000 -0.000 3/33600 910.0 2.092 5.156 1.980 0.000 0.000 -0.000 3/33600 920.0 2.069 5.099 1.958 0.000 0.000 -0.000 3/33600 930.0 2.046 5.044 1.937 0.000 0.000 -0.000 3/33600 940.0 2.023 4.989 1.916 0.000 0.000 -0.000 3/33600 950.0 2.002 4.936 1.895 0.000 0.000 -0.000 3/33600 960.0 1.980 4.884 1.875 0.000 0.000 -0.000 3/33600 970.0 1.959 4.834 1.855 0.000 0.000 -0.000 3/33600 980.0 1.939 4.784 1.836 0.000 0.000 -0.000 3/33600 990.0 1.919 4.735 1.817 0.000 0.000 -0.000 3/33600 1000.0 1.899 4.687 1.798 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m51410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:59:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|