----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.849671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.948830689999998 Atomic positions (fractional): *1 B 0.16525820550260 0.75000000000000 0.31841120762140 10.811 2 B 0.83474179449740 0.25000000000000 0.68158879237860 10.811 3 B 0.33474179449740 0.25000000000000 0.81841120762140 10.811 4 B 0.66525820550260 0.75000000000000 0.18158879237860 10.811 *5 N 0.71321900980785 0.75000000000000 0.31768313389385 14.007 6 N 0.28678099019215 0.25000000000000 0.68231686610615 14.007 7 N 0.78678099019215 0.25000000000000 0.81768313389385 14.007 *8 N 0.12234945082584 0.75000000000000 0.45902608912695 14.007 9 N 0.62234945082584 0.75000000000000 0.04097391087305 14.007 10 N 0.37765054917416 0.25000000000000 0.95902608912695 14.007 11 N 0.87765054917416 0.25000000000000 0.54097391087305 14.007 12 N 0.21321900980785 0.75000000000000 0.18231686610615 14.007 *13 Cl 0.06097730323449 0.75000000000000 0.84740512411799 35.453 14 Cl 0.43902269676551 0.25000000000000 0.34740512411800 35.453 15 Cl 0.93902269676551 0.25000000000000 0.15259487588200 35.453 16 Cl 0.56097730323449 0.75000000000000 0.65259487588201 35.453 *17 Ca 0.58925796718645 0.25000000000000 0.89002581205453 40.078 18 Ca 0.08925796718645 0.25000000000000 0.60997418794547 40.078 19 Ca 0.91074203281355 0.75000000000000 0.39002581205453 40.078 20 Ca 0.41074203281355 0.75000000000000 0.10997418794547 40.078 *21 Ca 0.82991156964814 0.75000000000000 0.95116056034799 40.078 22 Ca 0.17008843035186 0.25000000000000 0.04883943965201 40.078 23 Ca 0.67008843035186 0.25000000000000 0.45116056034799 40.078 24 Ca 0.32991156964814 0.75000000000000 0.54883943965201 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.849671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.948830689999998 Atomic positions (fractional): *1 B 0.16525820550260 0.75000000000000 0.31841120762140 10.811 > 1 2 B 0.83474179449740 0.25000000000000 0.68158879237860 10.811 > 2 3 B 0.33474179449740 0.25000000000000 0.81841120762140 10.811 > 3 4 B 0.66525820550260 0.75000000000000 0.18158879237860 10.811 > 4 *5 N 0.71321900980785 0.75000000000000 0.31768313389385 14.007 > 5 6 N 0.28678099019215 0.25000000000000 0.68231686610615 14.007 > 6 7 N 0.78678099019215 0.25000000000000 0.81768313389385 14.007 > 7 *8 N 0.12234945082584 0.75000000000000 0.45902608912695 14.007 > 8 9 N 0.62234945082584 0.75000000000000 0.04097391087305 14.007 > 9 10 N 0.37765054917416 0.25000000000000 0.95902608912695 14.007 > 10 11 N 0.87765054917416 0.25000000000000 0.54097391087305 14.007 > 11 12 N 0.21321900980785 0.75000000000000 0.18231686610615 14.007 > 12 *13 Cl 0.06097730323449 0.75000000000000 0.84740512411799 35.453 > 13 14 Cl 0.43902269676551 0.25000000000000 0.34740512411800 35.453 > 14 15 Cl 0.93902269676551 0.25000000000000 0.15259487588200 35.453 > 15 16 Cl 0.56097730323449 0.75000000000000 0.65259487588201 35.453 > 16 *17 Ca 0.58925796718645 0.25000000000000 0.89002581205453 40.078 > 17 18 Ca 0.08925796718645 0.25000000000000 0.60997418794547 40.078 > 18 19 Ca 0.91074203281355 0.75000000000000 0.39002581205453 40.078 > 19 20 Ca 0.41074203281355 0.75000000000000 0.10997418794547 40.078 > 20 *21 Ca 0.82991156964814 0.75000000000000 0.95116056034799 40.078 > 21 22 Ca 0.17008843035186 0.25000000000000 0.04883943965201 40.078 > 22 23 Ca 0.67008843035186 0.25000000000000 0.45116056034799 40.078 > 23 24 Ca 0.32991156964814 0.75000000000000 0.54883943965201 40.078 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.549013779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.897661379999995 Atomic positions (fractional): *1 B 0.16525820550260 0.25000000000000 0.15920560381070 10.811 > 1 2 B 0.16525820550260 0.58333333333333 0.15920560381070 10.811 > 1 3 B 0.16525820550260 0.91666666666667 0.15920560381070 10.811 > 1 4 B 0.16525820550260 0.25000000000000 0.65920560381070 10.811 > 1 5 B 0.16525820550260 0.58333333333333 0.65920560381070 10.811 > 1 6 B 0.16525820550260 0.91666666666667 0.65920560381070 10.811 > 1 7 B 0.83474179449740 0.08333333333333 0.34079439618930 10.811 > 2 8 B 0.83474179449740 0.41666666666667 0.34079439618930 10.811 > 2 9 B 0.83474179449740 0.75000000000000 0.34079439618930 10.811 > 2 10 B 0.83474179449740 0.08333333333333 0.84079439618930 10.811 > 2 11 B 0.83474179449740 0.41666666666667 0.84079439618930 10.811 > 2 12 B 0.83474179449740 0.75000000000000 0.84079439618930 10.811 > 2 13 B 0.33474179449740 0.08333333333333 0.40920560381070 10.811 > 3 14 B 0.33474179449740 0.41666666666667 0.40920560381070 10.811 > 3 15 B 0.33474179449740 0.75000000000000 0.40920560381070 10.811 > 3 16 B 0.33474179449740 0.08333333333333 0.90920560381070 10.811 > 3 17 B 0.33474179449740 0.41666666666667 0.90920560381070 10.811 > 3 18 B 0.33474179449740 0.75000000000000 0.90920560381070 10.811 > 3 19 B 0.66525820550260 0.25000000000000 0.09079439618930 10.811 > 4 20 B 0.66525820550260 0.58333333333333 0.09079439618930 10.811 > 4 21 B 0.66525820550260 0.91666666666667 0.09079439618930 10.811 > 4 22 B 0.66525820550260 0.25000000000000 0.59079439618930 10.811 > 4 23 B 0.66525820550260 0.58333333333333 0.59079439618930 10.811 > 4 24 B 0.66525820550260 0.91666666666667 0.59079439618930 10.811 > 4 *25 N 0.71321900980785 0.25000000000000 0.15884156694693 14.007 > 5 26 N 0.71321900980785 0.58333333333333 0.15884156694693 14.007 > 5 27 N 0.71321900980785 0.91666666666667 0.15884156694693 14.007 > 5 28 N 0.71321900980785 0.25000000000000 0.65884156694693 14.007 > 5 29 N 0.71321900980785 0.58333333333333 0.65884156694693 14.007 > 5 30 N 0.71321900980785 0.91666666666667 0.65884156694693 14.007 > 5 31 N 0.28678099019215 0.08333333333333 0.34115843305307 14.007 > 6 32 N 0.28678099019215 0.41666666666667 0.34115843305307 14.007 > 6 33 N 0.28678099019215 0.75000000000000 0.34115843305307 14.007 > 6 34 N 0.28678099019215 0.08333333333333 0.84115843305307 14.007 > 6 35 N 0.28678099019215 0.41666666666667 0.84115843305307 14.007 > 6 36 N 0.28678099019215 0.75000000000000 0.84115843305307 14.007 > 6 37 N 0.78678099019215 0.08333333333333 0.40884156694693 14.007 > 7 38 N 0.78678099019215 0.41666666666667 0.40884156694693 14.007 > 7 39 N 0.78678099019215 0.75000000000000 0.40884156694693 14.007 > 7 40 N 0.78678099019215 0.08333333333333 0.90884156694693 14.007 > 7 41 N 0.78678099019215 0.41666666666667 0.90884156694693 14.007 > 7 42 N 0.78678099019215 0.75000000000000 0.90884156694693 14.007 > 7 *43 N 0.12234945082584 0.25000000000000 0.22951304456347 14.007 > 8 44 N 0.12234945082584 0.58333333333333 0.22951304456347 14.007 > 8 45 N 0.12234945082584 0.91666666666667 0.22951304456347 14.007 > 8 46 N 0.12234945082584 0.25000000000000 0.72951304456347 14.007 > 8 47 N 0.12234945082584 0.58333333333333 0.72951304456347 14.007 > 8 48 N 0.12234945082584 0.91666666666667 0.72951304456347 14.007 > 8 49 N 0.62234945082584 0.25000000000000 0.02048695543653 14.007 > 9 50 N 0.62234945082584 0.58333333333333 0.02048695543653 14.007 > 9 51 N 0.62234945082584 0.91666666666667 0.02048695543653 14.007 > 9 52 N 0.62234945082584 0.25000000000000 0.52048695543653 14.007 > 9 53 N 0.62234945082584 0.58333333333333 0.52048695543653 14.007 > 9 54 N 0.62234945082584 0.91666666666667 0.52048695543653 14.007 > 9 55 N 0.37765054917416 0.08333333333333 0.47951304456347 14.007 > 10 56 N 0.37765054917416 0.41666666666667 0.47951304456347 14.007 > 10 57 N 0.37765054917416 0.75000000000000 0.47951304456347 14.007 > 10 58 N 0.37765054917416 0.08333333333333 0.97951304456347 14.007 > 10 59 N 0.37765054917416 0.41666666666667 0.97951304456347 14.007 > 10 60 N 0.37765054917416 0.75000000000000 0.97951304456347 14.007 > 10 61 N 0.87765054917416 0.08333333333333 0.27048695543653 14.007 > 11 62 N 0.87765054917416 0.41666666666667 0.27048695543653 14.007 > 11 63 N 0.87765054917416 0.75000000000000 0.27048695543653 14.007 > 11 64 N 0.87765054917416 0.08333333333333 0.77048695543653 14.007 > 11 65 N 0.87765054917416 0.41666666666667 0.77048695543653 14.007 > 11 66 N 0.87765054917416 0.75000000000000 0.77048695543653 14.007 > 11 67 N 0.21321900980785 0.25000000000000 0.09115843305307 14.007 > 12 68 N 0.21321900980785 0.58333333333333 0.09115843305307 14.007 > 12 69 N 0.21321900980785 0.91666666666667 0.09115843305307 14.007 > 12 70 N 0.21321900980785 0.25000000000000 0.59115843305307 14.007 > 12 71 N 0.21321900980785 0.58333333333333 0.59115843305307 14.007 > 12 72 N 0.21321900980785 0.91666666666667 0.59115843305307 14.007 > 12 *73 Cl 0.06097730323449 0.25000000000000 0.42370256205900 35.453 > 13 74 Cl 0.06097730323449 0.58333333333333 0.42370256205900 35.453 > 13 75 Cl 0.06097730323449 0.91666666666667 0.42370256205900 35.453 > 13 76 Cl 0.06097730323449 0.25000000000000 0.92370256205900 35.453 > 13 77 Cl 0.06097730323449 0.58333333333333 0.92370256205900 35.453 > 13 78 Cl 0.06097730323449 0.91666666666667 0.92370256205900 35.453 > 13 79 Cl 0.43902269676551 0.08333333333333 0.17370256205900 35.453 > 14 80 Cl 0.43902269676551 0.41666666666667 0.17370256205900 35.453 > 14 81 Cl 0.43902269676551 0.75000000000000 0.17370256205900 35.453 > 14 82 Cl 0.43902269676551 0.08333333333333 0.67370256205900 35.453 > 14 83 Cl 0.43902269676551 0.41666666666667 0.67370256205900 35.453 > 14 84 Cl 0.43902269676551 0.75000000000000 0.67370256205900 35.453 > 14 85 Cl 0.93902269676551 0.08333333333333 0.07629743794100 35.453 > 15 86 Cl 0.93902269676551 0.41666666666667 0.07629743794100 35.453 > 15 87 Cl 0.93902269676551 0.75000000000000 0.07629743794100 35.453 > 15 88 Cl 0.93902269676551 0.08333333333333 0.57629743794100 35.453 > 15 89 Cl 0.93902269676551 0.41666666666667 0.57629743794100 35.453 > 15 90 Cl 0.93902269676551 0.75000000000000 0.57629743794100 35.453 > 15 91 Cl 0.56097730323449 0.25000000000000 0.32629743794100 35.453 > 16 92 Cl 0.56097730323449 0.58333333333333 0.32629743794100 35.453 > 16 93 Cl 0.56097730323449 0.91666666666667 0.32629743794100 35.453 > 16 94 Cl 0.56097730323449 0.25000000000000 0.82629743794100 35.453 > 16 95 Cl 0.56097730323449 0.58333333333333 0.82629743794100 35.453 > 16 96 Cl 0.56097730323449 0.91666666666667 0.82629743794100 35.453 > 16 *97 Ca 0.58925796718645 0.08333333333333 0.44501290602726 40.078 > 17 98 Ca 0.58925796718645 0.41666666666667 0.44501290602726 40.078 > 17 99 Ca 0.58925796718645 0.75000000000000 0.44501290602726 40.078 > 17 100 Ca 0.58925796718645 0.08333333333333 0.94501290602726 40.078 > 17 101 Ca 0.58925796718645 0.41666666666667 0.94501290602726 40.078 > 17 102 Ca 0.58925796718645 0.75000000000000 0.94501290602726 40.078 > 17 103 Ca 0.08925796718645 0.08333333333333 0.30498709397274 40.078 > 18 104 Ca 0.08925796718645 0.41666666666667 0.30498709397274 40.078 > 18 105 Ca 0.08925796718645 0.75000000000000 0.30498709397274 40.078 > 18 106 Ca 0.08925796718645 0.08333333333333 0.80498709397274 40.078 > 18 107 Ca 0.08925796718645 0.41666666666667 0.80498709397274 40.078 > 18 108 Ca 0.08925796718645 0.75000000000000 0.80498709397274 40.078 > 18 109 Ca 0.91074203281355 0.25000000000000 0.19501290602726 40.078 > 19 110 Ca 0.91074203281355 0.58333333333333 0.19501290602726 40.078 > 19 111 Ca 0.91074203281355 0.91666666666667 0.19501290602726 40.078 > 19 112 Ca 0.91074203281355 0.25000000000000 0.69501290602726 40.078 > 19 113 Ca 0.91074203281355 0.58333333333333 0.69501290602726 40.078 > 19 114 Ca 0.91074203281355 0.91666666666667 0.69501290602726 40.078 > 19 115 Ca 0.41074203281355 0.25000000000000 0.05498709397274 40.078 > 20 116 Ca 0.41074203281355 0.58333333333333 0.05498709397274 40.078 > 20 117 Ca 0.41074203281355 0.91666666666667 0.05498709397274 40.078 > 20 118 Ca 0.41074203281355 0.25000000000000 0.55498709397274 40.078 > 20 119 Ca 0.41074203281355 0.58333333333333 0.55498709397274 40.078 > 20 120 Ca 0.41074203281355 0.91666666666667 0.55498709397274 40.078 > 20 *121 Ca 0.82991156964814 0.25000000000000 0.47558028017399 40.078 > 21 122 Ca 0.82991156964814 0.58333333333333 0.47558028017399 40.078 > 21 123 Ca 0.82991156964814 0.91666666666667 0.47558028017399 40.078 > 21 124 Ca 0.82991156964814 0.25000000000000 0.97558028017399 40.078 > 21 125 Ca 0.82991156964814 0.58333333333333 0.97558028017399 40.078 > 21 126 Ca 0.82991156964814 0.91666666666667 0.97558028017399 40.078 > 21 127 Ca 0.17008843035186 0.08333333333333 0.02441971982601 40.078 > 22 128 Ca 0.17008843035186 0.41666666666667 0.02441971982601 40.078 > 22 129 Ca 0.17008843035186 0.75000000000000 0.02441971982601 40.078 > 22 130 Ca 0.17008843035186 0.08333333333333 0.52441971982601 40.078 > 22 131 Ca 0.17008843035186 0.41666666666667 0.52441971982601 40.078 > 22 132 Ca 0.17008843035186 0.75000000000000 0.52441971982601 40.078 > 22 133 Ca 0.67008843035186 0.08333333333333 0.22558028017399 40.078 > 23 134 Ca 0.67008843035186 0.41666666666667 0.22558028017399 40.078 > 23 135 Ca 0.67008843035186 0.75000000000000 0.22558028017399 40.078 > 23 136 Ca 0.67008843035186 0.08333333333333 0.72558028017399 40.078 > 23 137 Ca 0.67008843035186 0.41666666666667 0.72558028017399 40.078 > 23 138 Ca 0.67008843035186 0.75000000000000 0.72558028017399 40.078 > 23 139 Ca 0.32991156964814 0.25000000000000 0.27441971982601 40.078 > 24 140 Ca 0.32991156964814 0.58333333333333 0.27441971982601 40.078 > 24 141 Ca 0.32991156964814 0.91666666666667 0.27441971982601 40.078 > 24 142 Ca 0.32991156964814 0.25000000000000 0.77441971982601 40.078 > 24 143 Ca 0.32991156964814 0.58333333333333 0.77441971982601 40.078 > 24 144 Ca 0.32991156964814 0.91666666666667 0.77441971982601 40.078 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6851724 0.0000000 0.0000000 0.0000000 3.6014338 0.0000000 0.0000000 0.0000000 4.2057538 -------------------------- Born effective charges -------------------------- 1 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 2 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 3 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 4 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 5 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 6 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 7 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 8 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 9 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 10 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 11 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 12 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 13 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 14 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 15 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 16 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 17 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 18 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 19 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 20 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 21 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 22 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 23 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 24 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.897 Solver_block: 200 / 400 - Time: 0.730 Solver_block: 300 / 400 - Time: 0.733 Solver_block: 400 / 400 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.171 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:31:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:31:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.849671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.948830689999998 Atomic positions (fractional): 1 B 0.16525820550260 0.75000000000000 0.31841120762140 10.811 2 B 0.83474179449740 0.25000000000000 0.68158879237860 10.811 3 B 0.33474179449740 0.25000000000000 0.81841120762140 10.811 4 B 0.66525820550260 0.75000000000000 0.18158879237860 10.811 5 N 0.71321900980785 0.75000000000000 0.31768313389385 14.007 6 N 0.28678099019215 0.25000000000000 0.68231686610615 14.007 7 N 0.78678099019215 0.25000000000000 0.81768313389385 14.007 8 N 0.12234945082584 0.75000000000000 0.45902608912695 14.007 9 N 0.62234945082584 0.75000000000000 0.04097391087305 14.007 10 N 0.37765054917416 0.25000000000000 0.95902608912695 14.007 11 N 0.87765054917416 0.25000000000000 0.54097391087305 14.007 12 N 0.21321900980785 0.75000000000000 0.18231686610615 14.007 13 Cl 0.06097730323449 0.75000000000000 0.84740512411799 35.453 14 Cl 0.43902269676551 0.25000000000000 0.34740512411800 35.453 15 Cl 0.93902269676551 0.25000000000000 0.15259487588200 35.453 16 Cl 0.56097730323449 0.75000000000000 0.65259487588201 35.453 17 Ca 0.58925796718645 0.25000000000000 0.89002581205453 40.078 18 Ca 0.08925796718645 0.25000000000000 0.60997418794547 40.078 19 Ca 0.91074203281355 0.75000000000000 0.39002581205453 40.078 20 Ca 0.41074203281355 0.75000000000000 0.10997418794547 40.078 21 Ca 0.82991156964814 0.75000000000000 0.95116056034799 40.078 22 Ca 0.17008843035186 0.25000000000000 0.04883943965201 40.078 23 Ca 0.67008843035186 0.25000000000000 0.45116056034799 40.078 24 Ca 0.32991156964814 0.75000000000000 0.54883943965201 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.549013779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.897661379999995 Atomic positions (fractional): 1 B 0.16525820550260 0.25000000000000 0.15920560381070 10.811 > 1 2 B 0.16525820550260 0.58333333333333 0.15920560381070 10.811 > 1 3 B 0.16525820550260 0.91666666666667 0.15920560381070 10.811 > 1 4 B 0.16525820550260 0.25000000000000 0.65920560381070 10.811 > 1 5 B 0.16525820550260 0.58333333333333 0.65920560381070 10.811 > 1 6 B 0.16525820550260 0.91666666666667 0.65920560381070 10.811 > 1 7 B 0.83474179449740 0.08333333333333 0.34079439618930 10.811 > 7 8 B 0.83474179449740 0.41666666666667 0.34079439618930 10.811 > 7 9 B 0.83474179449740 0.75000000000000 0.34079439618930 10.811 > 7 10 B 0.83474179449740 0.08333333333333 0.84079439618930 10.811 > 7 11 B 0.83474179449740 0.41666666666667 0.84079439618930 10.811 > 7 12 B 0.83474179449740 0.75000000000000 0.84079439618930 10.811 > 7 13 B 0.33474179449740 0.08333333333333 0.40920560381070 10.811 > 13 14 B 0.33474179449740 0.41666666666667 0.40920560381070 10.811 > 13 15 B 0.33474179449740 0.75000000000000 0.40920560381070 10.811 > 13 16 B 0.33474179449740 0.08333333333333 0.90920560381070 10.811 > 13 17 B 0.33474179449740 0.41666666666667 0.90920560381070 10.811 > 13 18 B 0.33474179449740 0.75000000000000 0.90920560381070 10.811 > 13 19 B 0.66525820550260 0.25000000000000 0.09079439618930 10.811 > 19 20 B 0.66525820550260 0.58333333333333 0.09079439618930 10.811 > 19 21 B 0.66525820550260 0.91666666666667 0.09079439618930 10.811 > 19 22 B 0.66525820550260 0.25000000000000 0.59079439618930 10.811 > 19 23 B 0.66525820550260 0.58333333333333 0.59079439618930 10.811 > 19 24 B 0.66525820550260 0.91666666666667 0.59079439618930 10.811 > 19 25 N 0.71321900980785 0.25000000000000 0.15884156694693 14.007 > 25 26 N 0.71321900980785 0.58333333333333 0.15884156694693 14.007 > 25 27 N 0.71321900980785 0.91666666666667 0.15884156694693 14.007 > 25 28 N 0.71321900980785 0.25000000000000 0.65884156694693 14.007 > 25 29 N 0.71321900980785 0.58333333333333 0.65884156694693 14.007 > 25 30 N 0.71321900980785 0.91666666666667 0.65884156694693 14.007 > 25 31 N 0.28678099019215 0.08333333333333 0.34115843305307 14.007 > 31 32 N 0.28678099019215 0.41666666666667 0.34115843305307 14.007 > 31 33 N 0.28678099019215 0.75000000000000 0.34115843305307 14.007 > 31 34 N 0.28678099019215 0.08333333333333 0.84115843305307 14.007 > 31 35 N 0.28678099019215 0.41666666666667 0.84115843305307 14.007 > 31 36 N 0.28678099019215 0.75000000000000 0.84115843305307 14.007 > 31 37 N 0.78678099019215 0.08333333333333 0.40884156694693 14.007 > 37 38 N 0.78678099019215 0.41666666666667 0.40884156694693 14.007 > 37 39 N 0.78678099019215 0.75000000000000 0.40884156694693 14.007 > 37 40 N 0.78678099019215 0.08333333333333 0.90884156694693 14.007 > 37 41 N 0.78678099019215 0.41666666666667 0.90884156694693 14.007 > 37 42 N 0.78678099019215 0.75000000000000 0.90884156694693 14.007 > 37 43 N 0.12234945082584 0.25000000000000 0.22951304456347 14.007 > 43 44 N 0.12234945082584 0.58333333333333 0.22951304456347 14.007 > 43 45 N 0.12234945082584 0.91666666666667 0.22951304456347 14.007 > 43 46 N 0.12234945082584 0.25000000000000 0.72951304456347 14.007 > 43 47 N 0.12234945082584 0.58333333333333 0.72951304456347 14.007 > 43 48 N 0.12234945082584 0.91666666666667 0.72951304456347 14.007 > 43 49 N 0.62234945082584 0.25000000000000 0.02048695543653 14.007 > 49 50 N 0.62234945082584 0.58333333333333 0.02048695543653 14.007 > 49 51 N 0.62234945082584 0.91666666666667 0.02048695543653 14.007 > 49 52 N 0.62234945082584 0.25000000000000 0.52048695543653 14.007 > 49 53 N 0.62234945082584 0.58333333333333 0.52048695543653 14.007 > 49 54 N 0.62234945082584 0.91666666666667 0.52048695543653 14.007 > 49 55 N 0.37765054917416 0.08333333333333 0.47951304456347 14.007 > 55 56 N 0.37765054917416 0.41666666666667 0.47951304456347 14.007 > 55 57 N 0.37765054917416 0.75000000000000 0.47951304456347 14.007 > 55 58 N 0.37765054917416 0.08333333333333 0.97951304456347 14.007 > 55 59 N 0.37765054917416 0.41666666666667 0.97951304456347 14.007 > 55 60 N 0.37765054917416 0.75000000000000 0.97951304456347 14.007 > 55 61 N 0.87765054917416 0.08333333333333 0.27048695543653 14.007 > 61 62 N 0.87765054917416 0.41666666666667 0.27048695543653 14.007 > 61 63 N 0.87765054917416 0.75000000000000 0.27048695543653 14.007 > 61 64 N 0.87765054917416 0.08333333333333 0.77048695543653 14.007 > 61 65 N 0.87765054917416 0.41666666666667 0.77048695543653 14.007 > 61 66 N 0.87765054917416 0.75000000000000 0.77048695543653 14.007 > 61 67 N 0.21321900980785 0.25000000000000 0.09115843305307 14.007 > 67 68 N 0.21321900980785 0.58333333333333 0.09115843305307 14.007 > 67 69 N 0.21321900980785 0.91666666666667 0.09115843305307 14.007 > 67 70 N 0.21321900980785 0.25000000000000 0.59115843305307 14.007 > 67 71 N 0.21321900980785 0.58333333333333 0.59115843305307 14.007 > 67 72 N 0.21321900980785 0.91666666666667 0.59115843305307 14.007 > 67 73 Cl 0.06097730323449 0.25000000000000 0.42370256205900 35.453 > 73 74 Cl 0.06097730323449 0.58333333333333 0.42370256205900 35.453 > 73 75 Cl 0.06097730323449 0.91666666666667 0.42370256205900 35.453 > 73 76 Cl 0.06097730323449 0.25000000000000 0.92370256205900 35.453 > 73 77 Cl 0.06097730323449 0.58333333333333 0.92370256205900 35.453 > 73 78 Cl 0.06097730323449 0.91666666666667 0.92370256205900 35.453 > 73 79 Cl 0.43902269676551 0.08333333333333 0.17370256205900 35.453 > 79 80 Cl 0.43902269676551 0.41666666666667 0.17370256205900 35.453 > 79 81 Cl 0.43902269676551 0.75000000000000 0.17370256205900 35.453 > 79 82 Cl 0.43902269676551 0.08333333333333 0.67370256205900 35.453 > 79 83 Cl 0.43902269676551 0.41666666666667 0.67370256205900 35.453 > 79 84 Cl 0.43902269676551 0.75000000000000 0.67370256205900 35.453 > 79 85 Cl 0.93902269676551 0.08333333333333 0.07629743794100 35.453 > 85 86 Cl 0.93902269676551 0.41666666666667 0.07629743794100 35.453 > 85 87 Cl 0.93902269676551 0.75000000000000 0.07629743794100 35.453 > 85 88 Cl 0.93902269676551 0.08333333333333 0.57629743794100 35.453 > 85 89 Cl 0.93902269676551 0.41666666666667 0.57629743794100 35.453 > 85 90 Cl 0.93902269676551 0.75000000000000 0.57629743794100 35.453 > 85 91 Cl 0.56097730323449 0.25000000000000 0.32629743794100 35.453 > 91 92 Cl 0.56097730323449 0.58333333333333 0.32629743794100 35.453 > 91 93 Cl 0.56097730323449 0.91666666666667 0.32629743794100 35.453 > 91 94 Cl 0.56097730323449 0.25000000000000 0.82629743794100 35.453 > 91 95 Cl 0.56097730323449 0.58333333333333 0.82629743794100 35.453 > 91 96 Cl 0.56097730323449 0.91666666666667 0.82629743794100 35.453 > 91 97 Ca 0.58925796718645 0.08333333333333 0.44501290602726 40.078 > 97 98 Ca 0.58925796718645 0.41666666666667 0.44501290602726 40.078 > 97 99 Ca 0.58925796718645 0.75000000000000 0.44501290602726 40.078 > 97 100 Ca 0.58925796718645 0.08333333333333 0.94501290602726 40.078 > 97 101 Ca 0.58925796718645 0.41666666666667 0.94501290602726 40.078 > 97 102 Ca 0.58925796718645 0.75000000000000 0.94501290602726 40.078 > 97 103 Ca 0.08925796718645 0.08333333333333 0.30498709397274 40.078 > 103 104 Ca 0.08925796718645 0.41666666666667 0.30498709397274 40.078 > 103 105 Ca 0.08925796718645 0.75000000000000 0.30498709397274 40.078 > 103 106 Ca 0.08925796718645 0.08333333333333 0.80498709397274 40.078 > 103 107 Ca 0.08925796718645 0.41666666666667 0.80498709397274 40.078 > 103 108 Ca 0.08925796718645 0.75000000000000 0.80498709397274 40.078 > 103 109 Ca 0.91074203281355 0.25000000000000 0.19501290602726 40.078 > 109 110 Ca 0.91074203281355 0.58333333333333 0.19501290602726 40.078 > 109 111 Ca 0.91074203281355 0.91666666666667 0.19501290602726 40.078 > 109 112 Ca 0.91074203281355 0.25000000000000 0.69501290602726 40.078 > 109 113 Ca 0.91074203281355 0.58333333333333 0.69501290602726 40.078 > 109 114 Ca 0.91074203281355 0.91666666666667 0.69501290602726 40.078 > 109 115 Ca 0.41074203281355 0.25000000000000 0.05498709397274 40.078 > 115 116 Ca 0.41074203281355 0.58333333333333 0.05498709397274 40.078 > 115 117 Ca 0.41074203281355 0.91666666666667 0.05498709397274 40.078 > 115 118 Ca 0.41074203281355 0.25000000000000 0.55498709397274 40.078 > 115 119 Ca 0.41074203281355 0.58333333333333 0.55498709397274 40.078 > 115 120 Ca 0.41074203281355 0.91666666666667 0.55498709397274 40.078 > 115 121 Ca 0.82991156964814 0.25000000000000 0.47558028017399 40.078 > 121 122 Ca 0.82991156964814 0.58333333333333 0.47558028017399 40.078 > 121 123 Ca 0.82991156964814 0.91666666666667 0.47558028017399 40.078 > 121 124 Ca 0.82991156964814 0.25000000000000 0.97558028017399 40.078 > 121 125 Ca 0.82991156964814 0.58333333333333 0.97558028017399 40.078 > 121 126 Ca 0.82991156964814 0.91666666666667 0.97558028017399 40.078 > 121 127 Ca 0.17008843035186 0.08333333333333 0.02441971982601 40.078 > 127 128 Ca 0.17008843035186 0.41666666666667 0.02441971982601 40.078 > 127 129 Ca 0.17008843035186 0.75000000000000 0.02441971982601 40.078 > 127 130 Ca 0.17008843035186 0.08333333333333 0.52441971982601 40.078 > 127 131 Ca 0.17008843035186 0.41666666666667 0.52441971982601 40.078 > 127 132 Ca 0.17008843035186 0.75000000000000 0.52441971982601 40.078 > 127 133 Ca 0.67008843035186 0.08333333333333 0.22558028017399 40.078 > 133 134 Ca 0.67008843035186 0.41666666666667 0.22558028017399 40.078 > 133 135 Ca 0.67008843035186 0.75000000000000 0.22558028017399 40.078 > 133 136 Ca 0.67008843035186 0.08333333333333 0.72558028017399 40.078 > 133 137 Ca 0.67008843035186 0.41666666666667 0.72558028017399 40.078 > 133 138 Ca 0.67008843035186 0.75000000000000 0.72558028017399 40.078 > 133 139 Ca 0.32991156964814 0.25000000000000 0.27441971982601 40.078 > 139 140 Ca 0.32991156964814 0.58333333333333 0.27441971982601 40.078 > 139 141 Ca 0.32991156964814 0.91666666666667 0.27441971982601 40.078 > 139 142 Ca 0.32991156964814 0.25000000000000 0.77441971982601 40.078 > 139 143 Ca 0.32991156964814 0.58333333333333 0.77441971982601 40.078 > 139 144 Ca 0.32991156964814 0.91666666666667 0.77441971982601 40.078 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6851724 0.0000000 0.0000000 0.0000000 3.6014338 0.0000000 0.0000000 0.0000000 4.2057538 -------------------------- Born effective charges -------------------------- 1 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 2 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 3 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 4 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 5 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 6 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 7 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 8 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 9 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 10 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 11 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 12 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 13 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 14 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 15 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 16 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 17 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 18 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 19 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 20 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 21 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 22 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 23 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 24 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:32:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:32:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.849671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.948830689999998 Atomic positions (fractional): 1 B 0.16525820550260 0.75000000000000 0.31841120762140 10.811 2 B 0.83474179449740 0.25000000000000 0.68158879237860 10.811 3 B 0.33474179449740 0.25000000000000 0.81841120762140 10.811 4 B 0.66525820550260 0.75000000000000 0.18158879237860 10.811 5 N 0.71321900980785 0.75000000000000 0.31768313389385 14.007 6 N 0.28678099019215 0.25000000000000 0.68231686610615 14.007 7 N 0.78678099019215 0.25000000000000 0.81768313389385 14.007 8 N 0.12234945082584 0.75000000000000 0.45902608912695 14.007 9 N 0.62234945082584 0.75000000000000 0.04097391087305 14.007 10 N 0.37765054917416 0.25000000000000 0.95902608912695 14.007 11 N 0.87765054917416 0.25000000000000 0.54097391087305 14.007 12 N 0.21321900980785 0.75000000000000 0.18231686610615 14.007 13 Cl 0.06097730323449 0.75000000000000 0.84740512411799 35.453 14 Cl 0.43902269676551 0.25000000000000 0.34740512411800 35.453 15 Cl 0.93902269676551 0.25000000000000 0.15259487588200 35.453 16 Cl 0.56097730323449 0.75000000000000 0.65259487588201 35.453 17 Ca 0.58925796718645 0.25000000000000 0.89002581205453 40.078 18 Ca 0.08925796718645 0.25000000000000 0.60997418794547 40.078 19 Ca 0.91074203281355 0.75000000000000 0.39002581205453 40.078 20 Ca 0.41074203281355 0.75000000000000 0.10997418794547 40.078 21 Ca 0.82991156964814 0.75000000000000 0.95116056034799 40.078 22 Ca 0.17008843035186 0.25000000000000 0.04883943965201 40.078 23 Ca 0.67008843035186 0.25000000000000 0.45116056034799 40.078 24 Ca 0.32991156964814 0.75000000000000 0.54883943965201 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.541226860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.549013779999999 0.000000000000000 c 0.000000000000000 0.000000000000000 17.897661379999995 Atomic positions (fractional): 1 B 0.16525820550260 0.25000000000000 0.15920560381070 10.811 > 1 2 B 0.16525820550260 0.58333333333333 0.15920560381070 10.811 > 1 3 B 0.16525820550260 0.91666666666667 0.15920560381070 10.811 > 1 4 B 0.16525820550260 0.25000000000000 0.65920560381070 10.811 > 1 5 B 0.16525820550260 0.58333333333333 0.65920560381070 10.811 > 1 6 B 0.16525820550260 0.91666666666667 0.65920560381070 10.811 > 1 7 B 0.83474179449740 0.08333333333333 0.34079439618930 10.811 > 7 8 B 0.83474179449740 0.41666666666667 0.34079439618930 10.811 > 7 9 B 0.83474179449740 0.75000000000000 0.34079439618930 10.811 > 7 10 B 0.83474179449740 0.08333333333333 0.84079439618930 10.811 > 7 11 B 0.83474179449740 0.41666666666667 0.84079439618930 10.811 > 7 12 B 0.83474179449740 0.75000000000000 0.84079439618930 10.811 > 7 13 B 0.33474179449740 0.08333333333333 0.40920560381070 10.811 > 13 14 B 0.33474179449740 0.41666666666667 0.40920560381070 10.811 > 13 15 B 0.33474179449740 0.75000000000000 0.40920560381070 10.811 > 13 16 B 0.33474179449740 0.08333333333333 0.90920560381070 10.811 > 13 17 B 0.33474179449740 0.41666666666667 0.90920560381070 10.811 > 13 18 B 0.33474179449740 0.75000000000000 0.90920560381070 10.811 > 13 19 B 0.66525820550260 0.25000000000000 0.09079439618930 10.811 > 19 20 B 0.66525820550260 0.58333333333333 0.09079439618930 10.811 > 19 21 B 0.66525820550260 0.91666666666667 0.09079439618930 10.811 > 19 22 B 0.66525820550260 0.25000000000000 0.59079439618930 10.811 > 19 23 B 0.66525820550260 0.58333333333333 0.59079439618930 10.811 > 19 24 B 0.66525820550260 0.91666666666667 0.59079439618930 10.811 > 19 25 N 0.71321900980785 0.25000000000000 0.15884156694693 14.007 > 25 26 N 0.71321900980785 0.58333333333333 0.15884156694693 14.007 > 25 27 N 0.71321900980785 0.91666666666667 0.15884156694693 14.007 > 25 28 N 0.71321900980785 0.25000000000000 0.65884156694693 14.007 > 25 29 N 0.71321900980785 0.58333333333333 0.65884156694693 14.007 > 25 30 N 0.71321900980785 0.91666666666667 0.65884156694693 14.007 > 25 31 N 0.28678099019215 0.08333333333333 0.34115843305307 14.007 > 31 32 N 0.28678099019215 0.41666666666667 0.34115843305307 14.007 > 31 33 N 0.28678099019215 0.75000000000000 0.34115843305307 14.007 > 31 34 N 0.28678099019215 0.08333333333333 0.84115843305307 14.007 > 31 35 N 0.28678099019215 0.41666666666667 0.84115843305307 14.007 > 31 36 N 0.28678099019215 0.75000000000000 0.84115843305307 14.007 > 31 37 N 0.78678099019215 0.08333333333333 0.40884156694693 14.007 > 37 38 N 0.78678099019215 0.41666666666667 0.40884156694693 14.007 > 37 39 N 0.78678099019215 0.75000000000000 0.40884156694693 14.007 > 37 40 N 0.78678099019215 0.08333333333333 0.90884156694693 14.007 > 37 41 N 0.78678099019215 0.41666666666667 0.90884156694693 14.007 > 37 42 N 0.78678099019215 0.75000000000000 0.90884156694693 14.007 > 37 43 N 0.12234945082584 0.25000000000000 0.22951304456347 14.007 > 43 44 N 0.12234945082584 0.58333333333333 0.22951304456347 14.007 > 43 45 N 0.12234945082584 0.91666666666667 0.22951304456347 14.007 > 43 46 N 0.12234945082584 0.25000000000000 0.72951304456347 14.007 > 43 47 N 0.12234945082584 0.58333333333333 0.72951304456347 14.007 > 43 48 N 0.12234945082584 0.91666666666667 0.72951304456347 14.007 > 43 49 N 0.62234945082584 0.25000000000000 0.02048695543653 14.007 > 49 50 N 0.62234945082584 0.58333333333333 0.02048695543653 14.007 > 49 51 N 0.62234945082584 0.91666666666667 0.02048695543653 14.007 > 49 52 N 0.62234945082584 0.25000000000000 0.52048695543653 14.007 > 49 53 N 0.62234945082584 0.58333333333333 0.52048695543653 14.007 > 49 54 N 0.62234945082584 0.91666666666667 0.52048695543653 14.007 > 49 55 N 0.37765054917416 0.08333333333333 0.47951304456347 14.007 > 55 56 N 0.37765054917416 0.41666666666667 0.47951304456347 14.007 > 55 57 N 0.37765054917416 0.75000000000000 0.47951304456347 14.007 > 55 58 N 0.37765054917416 0.08333333333333 0.97951304456347 14.007 > 55 59 N 0.37765054917416 0.41666666666667 0.97951304456347 14.007 > 55 60 N 0.37765054917416 0.75000000000000 0.97951304456347 14.007 > 55 61 N 0.87765054917416 0.08333333333333 0.27048695543653 14.007 > 61 62 N 0.87765054917416 0.41666666666667 0.27048695543653 14.007 > 61 63 N 0.87765054917416 0.75000000000000 0.27048695543653 14.007 > 61 64 N 0.87765054917416 0.08333333333333 0.77048695543653 14.007 > 61 65 N 0.87765054917416 0.41666666666667 0.77048695543653 14.007 > 61 66 N 0.87765054917416 0.75000000000000 0.77048695543653 14.007 > 61 67 N 0.21321900980785 0.25000000000000 0.09115843305307 14.007 > 67 68 N 0.21321900980785 0.58333333333333 0.09115843305307 14.007 > 67 69 N 0.21321900980785 0.91666666666667 0.09115843305307 14.007 > 67 70 N 0.21321900980785 0.25000000000000 0.59115843305307 14.007 > 67 71 N 0.21321900980785 0.58333333333333 0.59115843305307 14.007 > 67 72 N 0.21321900980785 0.91666666666667 0.59115843305307 14.007 > 67 73 Cl 0.06097730323449 0.25000000000000 0.42370256205900 35.453 > 73 74 Cl 0.06097730323449 0.58333333333333 0.42370256205900 35.453 > 73 75 Cl 0.06097730323449 0.91666666666667 0.42370256205900 35.453 > 73 76 Cl 0.06097730323449 0.25000000000000 0.92370256205900 35.453 > 73 77 Cl 0.06097730323449 0.58333333333333 0.92370256205900 35.453 > 73 78 Cl 0.06097730323449 0.91666666666667 0.92370256205900 35.453 > 73 79 Cl 0.43902269676551 0.08333333333333 0.17370256205900 35.453 > 79 80 Cl 0.43902269676551 0.41666666666667 0.17370256205900 35.453 > 79 81 Cl 0.43902269676551 0.75000000000000 0.17370256205900 35.453 > 79 82 Cl 0.43902269676551 0.08333333333333 0.67370256205900 35.453 > 79 83 Cl 0.43902269676551 0.41666666666667 0.67370256205900 35.453 > 79 84 Cl 0.43902269676551 0.75000000000000 0.67370256205900 35.453 > 79 85 Cl 0.93902269676551 0.08333333333333 0.07629743794100 35.453 > 85 86 Cl 0.93902269676551 0.41666666666667 0.07629743794100 35.453 > 85 87 Cl 0.93902269676551 0.75000000000000 0.07629743794100 35.453 > 85 88 Cl 0.93902269676551 0.08333333333333 0.57629743794100 35.453 > 85 89 Cl 0.93902269676551 0.41666666666667 0.57629743794100 35.453 > 85 90 Cl 0.93902269676551 0.75000000000000 0.57629743794100 35.453 > 85 91 Cl 0.56097730323449 0.25000000000000 0.32629743794100 35.453 > 91 92 Cl 0.56097730323449 0.58333333333333 0.32629743794100 35.453 > 91 93 Cl 0.56097730323449 0.91666666666667 0.32629743794100 35.453 > 91 94 Cl 0.56097730323449 0.25000000000000 0.82629743794100 35.453 > 91 95 Cl 0.56097730323449 0.58333333333333 0.82629743794100 35.453 > 91 96 Cl 0.56097730323449 0.91666666666667 0.82629743794100 35.453 > 91 97 Ca 0.58925796718645 0.08333333333333 0.44501290602726 40.078 > 97 98 Ca 0.58925796718645 0.41666666666667 0.44501290602726 40.078 > 97 99 Ca 0.58925796718645 0.75000000000000 0.44501290602726 40.078 > 97 100 Ca 0.58925796718645 0.08333333333333 0.94501290602726 40.078 > 97 101 Ca 0.58925796718645 0.41666666666667 0.94501290602726 40.078 > 97 102 Ca 0.58925796718645 0.75000000000000 0.94501290602726 40.078 > 97 103 Ca 0.08925796718645 0.08333333333333 0.30498709397274 40.078 > 103 104 Ca 0.08925796718645 0.41666666666667 0.30498709397274 40.078 > 103 105 Ca 0.08925796718645 0.75000000000000 0.30498709397274 40.078 > 103 106 Ca 0.08925796718645 0.08333333333333 0.80498709397274 40.078 > 103 107 Ca 0.08925796718645 0.41666666666667 0.80498709397274 40.078 > 103 108 Ca 0.08925796718645 0.75000000000000 0.80498709397274 40.078 > 103 109 Ca 0.91074203281355 0.25000000000000 0.19501290602726 40.078 > 109 110 Ca 0.91074203281355 0.58333333333333 0.19501290602726 40.078 > 109 111 Ca 0.91074203281355 0.91666666666667 0.19501290602726 40.078 > 109 112 Ca 0.91074203281355 0.25000000000000 0.69501290602726 40.078 > 109 113 Ca 0.91074203281355 0.58333333333333 0.69501290602726 40.078 > 109 114 Ca 0.91074203281355 0.91666666666667 0.69501290602726 40.078 > 109 115 Ca 0.41074203281355 0.25000000000000 0.05498709397274 40.078 > 115 116 Ca 0.41074203281355 0.58333333333333 0.05498709397274 40.078 > 115 117 Ca 0.41074203281355 0.91666666666667 0.05498709397274 40.078 > 115 118 Ca 0.41074203281355 0.25000000000000 0.55498709397274 40.078 > 115 119 Ca 0.41074203281355 0.58333333333333 0.55498709397274 40.078 > 115 120 Ca 0.41074203281355 0.91666666666667 0.55498709397274 40.078 > 115 121 Ca 0.82991156964814 0.25000000000000 0.47558028017399 40.078 > 121 122 Ca 0.82991156964814 0.58333333333333 0.47558028017399 40.078 > 121 123 Ca 0.82991156964814 0.91666666666667 0.47558028017399 40.078 > 121 124 Ca 0.82991156964814 0.25000000000000 0.97558028017399 40.078 > 121 125 Ca 0.82991156964814 0.58333333333333 0.97558028017399 40.078 > 121 126 Ca 0.82991156964814 0.91666666666667 0.97558028017399 40.078 > 121 127 Ca 0.17008843035186 0.08333333333333 0.02441971982601 40.078 > 127 128 Ca 0.17008843035186 0.41666666666667 0.02441971982601 40.078 > 127 129 Ca 0.17008843035186 0.75000000000000 0.02441971982601 40.078 > 127 130 Ca 0.17008843035186 0.08333333333333 0.52441971982601 40.078 > 127 131 Ca 0.17008843035186 0.41666666666667 0.52441971982601 40.078 > 127 132 Ca 0.17008843035186 0.75000000000000 0.52441971982601 40.078 > 127 133 Ca 0.67008843035186 0.08333333333333 0.22558028017399 40.078 > 133 134 Ca 0.67008843035186 0.41666666666667 0.22558028017399 40.078 > 133 135 Ca 0.67008843035186 0.75000000000000 0.22558028017399 40.078 > 133 136 Ca 0.67008843035186 0.08333333333333 0.72558028017399 40.078 > 133 137 Ca 0.67008843035186 0.41666666666667 0.72558028017399 40.078 > 133 138 Ca 0.67008843035186 0.75000000000000 0.72558028017399 40.078 > 133 139 Ca 0.32991156964814 0.25000000000000 0.27441971982601 40.078 > 139 140 Ca 0.32991156964814 0.58333333333333 0.27441971982601 40.078 > 139 141 Ca 0.32991156964814 0.91666666666667 0.27441971982601 40.078 > 139 142 Ca 0.32991156964814 0.25000000000000 0.77441971982601 40.078 > 139 143 Ca 0.32991156964814 0.58333333333333 0.77441971982601 40.078 > 139 144 Ca 0.32991156964814 0.91666666666667 0.77441971982601 40.078 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6851724 0.0000000 0.0000000 0.0000000 3.6014338 0.0000000 0.0000000 0.0000000 4.2057538 -------------------------- Born effective charges -------------------------- 1 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 2 B 0.3809305 0.0000000 -1.2357247 0.0000000 0.0003047 0.0000000 -1.2838821 0.0000000 2.9618263 3 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 4 B 0.3809305 0.0000000 1.2357247 0.0000000 0.0003047 0.0000000 1.2838821 0.0000000 2.9618263 5 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 6 N -1.9541420 0.0000000 -0.5822576 0.0000000 -1.8656375 0.0000000 -0.7528017 0.0000000 -3.0581672 7 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 8 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 9 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 10 N -2.0558870 0.0000000 -0.4735341 0.0000000 -1.7247926 0.0000000 -0.4694926 0.0000000 -3.1719056 11 N -2.0558870 0.0000000 0.4735341 0.0000000 -1.7247926 0.0000000 0.4694926 0.0000000 -3.1719056 12 N -1.9541420 0.0000000 0.5822576 0.0000000 -1.8656375 0.0000000 0.7528017 0.0000000 -3.0581672 13 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 14 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 15 Cl -1.1457455 0.0000000 0.0244703 0.0000000 -1.3565436 0.0000000 -0.0864509 0.0000000 -1.3366912 16 Cl -1.1457455 0.0000000 -0.0244703 0.0000000 -1.3565436 0.0000000 0.0864509 0.0000000 -1.3366912 17 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 18 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 19 Ca 2.5562594 0.0000000 0.0306711 0.0000000 2.4215893 0.0000000 0.1786808 0.0000000 2.3042982 20 Ca 2.5562594 0.0000000 -0.0306711 0.0000000 2.4215893 0.0000000 -0.1786808 0.0000000 2.3042982 21 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 22 Ca 2.2185845 0.0000000 -0.1285197 0.0000000 2.5250798 0.0000000 -0.0726433 0.0000000 2.3006395 23 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 24 Ca 2.2185845 0.0000000 0.1285197 0.0000000 2.5250798 0.0000000 0.0726433 0.0000000 2.3006395 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 ... [ 4 13 6 ] 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: 0.56, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.369 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.610 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.244 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.816 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 16.865 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.885 ( 0.000 0.000 0.000) 0.000 16.890 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 17.939 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 18.274 ( 0.000 0.000 0.000) 0.000 31.660 ( 0.000 0.000 0.000) 0.000 31.683 ( 0.000 0.000 0.000) 0.000 31.707 ( 0.000 0.000 0.000) 0.000 31.788 ( 0.000 0.000 0.000) 0.000 50.867 ( 0.000 0.000 0.000) 0.000 51.234 ( 0.000 0.000 0.000) 0.000 52.033 ( 0.000 0.000 0.000) 0.000 53.099 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 24.429 0.000 0.000) 24.429 0.722 ( 32.839 0.000 0.000) 32.839 1.330 ( 57.777 0.000 0.000) 57.777 1.520 ( -17.875 0.000 0.000) 17.875 2.031 ( -26.094 0.000 0.000) 26.094 2.406 ( 11.249 0.000 0.000) 11.249 2.658 ( -7.238 0.000 0.000) 7.238 2.776 ( 9.437 0.000 0.000) 9.437 3.135 ( 8.255 0.000 0.000) 8.255 3.169 ( -7.460 0.000 0.000) 7.460 3.397 ( 13.058 0.000 0.000) 13.058 3.586 ( -8.785 0.000 0.000) 8.785 3.795 ( -45.322 0.000 0.000) 45.322 3.862 ( -5.668 0.000 0.000) 5.668 4.282 ( 4.207 0.000 0.000) 4.207 4.380 ( -0.228 0.000 0.000) 0.228 4.603 ( -0.691 0.000 0.000) 0.691 4.709 ( -2.404 0.000 0.000) 2.404 4.718 ( -1.894 0.000 0.000) 1.894 4.811 ( -4.163 0.000 0.000) 4.163 5.031 ( 8.302 0.000 0.000) 8.302 5.064 ( 4.309 0.000 0.000) 4.309 5.142 ( 9.233 0.000 0.000) 9.233 5.203 ( -3.922 0.000 0.000) 3.922 5.386 ( 2.396 0.000 0.000) 2.396 5.418 ( 3.888 0.000 0.000) 3.888 5.583 ( -2.427 0.000 0.000) 2.427 5.819 ( -1.791 0.000 0.000) 1.791 5.989 ( 5.236 0.000 0.000) 5.236 6.090 ( -0.498 0.000 0.000) 0.498 6.541 ( 2.605 0.000 0.000) 2.605 6.760 ( 1.587 0.000 0.000) 1.587 7.220 ( -6.283 0.000 0.000) 6.283 7.232 ( -7.814 0.000 0.000) 7.814 7.760 ( 8.317 0.000 0.000) 8.317 7.850 ( 9.665 0.000 0.000) 9.665 8.667 ( 1.956 0.000 0.000) 1.956 8.756 ( -1.803 0.000 0.000) 1.803 8.761 ( 0.869 0.000 0.000) 0.869 8.824 ( -1.778 0.000 0.000) 1.778 8.894 ( 1.270 0.000 0.000) 1.270 8.929 ( -0.370 0.000 0.000) 0.370 9.089 ( -3.483 0.000 0.000) 3.483 9.089 ( 3.469 0.000 0.000) 3.469 9.324 ( 6.767 0.000 0.000) 6.767 9.506 ( -8.356 0.000 0.000) 8.356 10.116 ( 11.806 0.000 0.000) 11.806 10.293 ( -10.281 0.000 0.000) 10.281 10.345 ( -10.547 0.000 0.000) 10.547 10.559 ( -2.942 0.000 0.000) 2.942 10.595 ( 0.343 0.000 0.000) 0.343 10.613 ( 0.273 0.000 0.000) 0.273 10.616 ( -0.483 0.000 0.000) 0.483 10.626 ( -0.125 0.000 0.000) 0.125 11.678 ( 15.640 0.000 0.000) 15.640 12.264 ( -7.950 0.000 0.000) 7.950 16.865 ( 0.010 0.000 0.000) 0.010 16.866 ( -0.011 0.000 0.000) 0.011 16.886 ( 0.052 0.000 0.000) 0.052 16.889 ( -0.051 0.000 0.000) 0.051 17.943 ( 2.263 0.000 0.000) 2.263 18.072 ( -2.522 0.000 0.000) 2.522 18.282 ( 0.587 0.000 0.000) 0.587 18.301 ( -0.229 0.000 0.000) 0.229 31.655 ( -0.371 0.000 0.000) 0.371 31.663 ( -0.945 0.000 0.000) 0.945 31.735 ( 1.671 0.000 0.000) 1.671 31.785 ( -0.396 0.000 0.000) 0.396 50.906 ( 3.575 0.000 0.000) 3.575 51.158 ( -6.058 0.000 0.000) 6.058 52.546 ( 9.793 0.000 0.000) 9.793 53.013 ( -7.649 0.000 0.000) 7.649 ======================= Grid point 2 (3/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -21.291 0.000 0.000) 21.291 1.053 ( 21.291 0.000 0.000) 21.291 1.412 ( -30.570 0.000 0.000) 30.570 1.412 ( 30.570 0.000 0.000) 30.570 2.560 ( -4.004 0.000 0.000) 4.004 2.560 ( 4.004 0.000 0.000) 4.004 2.609 ( -54.884 0.000 0.000) 54.884 2.609 ( 54.884 0.000 0.000) 54.884 2.977 ( -9.437 0.000 0.000) 9.437 2.977 ( 9.437 0.000 0.000) 9.437 3.381 ( -7.853 0.000 0.000) 7.853 3.381 ( 7.853 0.000 0.000) 7.853 3.676 ( -11.331 0.000 0.000) 11.331 3.676 ( 11.331 0.000 0.000) 11.331 4.358 ( -2.174 0.000 0.000) 2.174 4.358 ( 2.174 0.000 0.000) 2.174 4.683 ( -0.565 0.000 0.000) 0.565 4.683 ( 0.565 0.000 0.000) 0.565 4.687 ( -6.631 0.000 0.000) 6.631 4.687 ( 6.631 0.000 0.000) 6.631 5.034 ( -1.175 0.000 0.000) 1.175 5.034 ( 1.175 0.000 0.000) 1.175 5.294 ( -4.324 0.000 0.000) 4.324 5.294 ( 4.324 0.000 0.000) 4.324 5.510 ( -4.150 0.000 0.000) 4.150 5.510 ( 4.150 0.000 0.000) 4.150 5.597 ( -16.869 0.000 0.000) 16.869 5.597 ( 16.869 0.000 0.000) 16.869 6.032 ( -0.985 0.000 0.000) 0.985 6.032 ( 0.985 0.000 0.000) 0.985 6.724 ( -7.866 0.000 0.000) 7.866 6.724 ( 7.866 0.000 0.000) 7.866 7.129 ( -0.702 0.000 0.000) 0.702 7.129 ( 0.702 0.000 0.000) 0.702 7.916 ( -3.657 0.000 0.000) 3.657 7.916 ( 3.657 0.000 0.000) 3.657 8.726 ( -2.179 0.000 0.000) 2.179 8.726 ( 2.179 0.000 0.000) 2.179 8.787 ( -1.512 0.000 0.000) 1.512 8.787 ( 1.512 0.000 0.000) 1.512 8.916 ( -0.800 0.000 0.000) 0.800 8.916 ( 0.800 0.000 0.000) 0.800 9.062 ( -2.199 0.000 0.000) 2.199 9.062 ( 2.199 0.000 0.000) 2.199 9.446 ( -2.504 0.000 0.000) 2.504 9.446 ( 2.504 0.000 0.000) 2.504 10.131 ( -1.067 0.000 0.000) 1.067 10.131 ( 1.067 0.000 0.000) 1.067 10.422 ( -9.194 0.000 0.000) 9.194 10.422 ( 9.194 0.000 0.000) 9.194 10.605 ( -0.539 0.000 0.000) 0.539 10.605 ( 0.539 0.000 0.000) 0.539 10.620 ( -0.326 0.000 0.000) 0.326 10.620 ( 0.326 0.000 0.000) 0.326 12.018 ( -14.331 0.000 0.000) 14.331 12.018 ( 14.331 0.000 0.000) 14.331 16.866 ( -0.015 0.000 0.000) 0.015 16.866 ( 0.015 0.000 0.000) 0.015 16.888 ( -0.073 0.000 0.000) 0.073 16.888 ( 0.073 0.000 0.000) 0.073 18.006 ( -3.280 0.000 0.000) 3.280 18.006 ( 3.280 0.000 0.000) 3.280 18.294 ( -0.477 0.000 0.000) 0.477 18.294 ( 0.477 0.000 0.000) 0.477 31.651 ( -0.155 0.000 0.000) 0.155 31.651 ( 0.155 0.000 0.000) 0.155 31.768 ( -1.208 0.000 0.000) 1.208 31.768 ( 1.208 0.000 0.000) 1.208 51.016 ( -6.302 0.000 0.000) 6.302 51.016 ( 6.302 0.000 0.000) 6.302 52.793 ( -11.822 0.000 0.000) 11.822 52.793 ( 11.822 0.000 0.000) 11.822 ======================= Grid point 5 (4/84) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 0.000 31.302 0.000) 31.302 0.666 ( 0.000 33.801 0.000) 33.801 1.188 ( 0.000 58.258 0.000) 58.258 1.923 ( 0.000 8.272 0.000) 8.272 2.237 ( 0.000 6.229 0.000) 6.229 2.572 ( 0.000 7.303 0.000) 7.303 2.697 ( 0.000 15.307 0.000) 15.307 2.926 ( 0.000 7.739 0.000) 7.739 3.043 ( 0.000 10.968 0.000) 10.968 3.275 ( 0.000 5.117 0.000) 5.117 3.474 ( 0.000 19.151 0.000) 19.151 3.656 ( 0.000 -2.258 0.000) 2.258 4.017 ( 0.000 9.068 0.000) 9.068 4.366 ( 0.000 -1.151 0.000) 1.151 4.515 ( 0.000 -5.702 0.000) 5.702 4.587 ( 0.000 -6.163 0.000) 6.163 4.651 ( 0.000 1.661 0.000) 1.661 4.690 ( 0.000 5.963 0.000) 5.963 4.807 ( 0.000 4.351 0.000) 4.351 4.900 ( 0.000 12.901 0.000) 12.901 4.935 ( 0.000 3.436 0.000) 3.436 4.946 ( 0.000 8.430 0.000) 8.430 5.112 ( 0.000 -2.043 0.000) 2.043 5.264 ( 0.000 -0.624 0.000) 0.624 5.515 ( 0.000 13.862 0.000) 13.862 5.538 ( 0.000 15.769 0.000) 15.769 5.682 ( 0.000 -1.537 0.000) 1.537 5.825 ( 0.000 4.185 0.000) 4.185 5.828 ( 0.000 4.570 0.000) 4.570 6.025 ( 0.000 -1.743 0.000) 1.743 6.056 ( 0.000 -1.292 0.000) 1.292 6.702 ( 0.000 -4.076 0.000) 4.076 7.164 ( 0.000 -7.653 0.000) 7.653 7.308 ( 0.000 1.284 0.000) 1.284 7.585 ( 0.000 -5.201 0.000) 5.201 7.610 ( 0.000 -4.139 0.000) 4.139 8.629 ( 0.000 -2.104 0.000) 2.104 8.702 ( 0.000 -4.505 0.000) 4.505 8.714 ( 0.000 -6.940 0.000) 6.940 8.838 ( 0.000 -2.927 0.000) 2.927 8.871 ( 0.000 -0.729 0.000) 0.729 8.961 ( 0.000 -2.741 0.000) 2.741 8.969 ( 0.000 2.809 0.000) 2.809 9.125 ( 0.000 -4.528 0.000) 4.528 9.357 ( 0.000 -6.257 0.000) 6.257 9.727 ( 0.000 -4.872 0.000) 4.872 9.846 ( 0.000 1.935 0.000) 1.935 10.035 ( 0.000 -11.098 0.000) 11.098 10.266 ( 0.000 -11.793 0.000) 11.793 10.544 ( 0.000 -3.931 0.000) 3.931 10.695 ( 0.000 10.018 0.000) 10.018 10.735 ( 0.000 13.137 0.000) 13.137 10.810 ( 0.000 12.467 0.000) 12.467 10.922 ( 0.000 17.410 0.000) 17.410 11.419 ( 0.000 -4.418 0.000) 4.418 11.959 ( 0.000 -2.350 0.000) 2.350 16.898 ( 0.000 3.089 0.000) 3.089 16.904 ( 0.000 3.780 0.000) 3.780 16.939 ( 0.000 5.028 0.000) 5.028 17.907 ( 0.000 -1.080 0.000) 1.080 17.936 ( 0.000 -0.281 0.000) 0.281 18.003 ( 0.000 -0.962 0.000) 0.962 18.095 ( 0.000 -0.673 0.000) 0.673 18.247 ( 0.000 -2.527 0.000) 2.527 31.653 ( 0.000 -0.687 0.000) 0.687 31.674 ( 0.000 -0.832 0.000) 0.832 31.698 ( 0.000 -0.867 0.000) 0.867 31.768 ( 0.000 -1.913 0.000) 1.913 50.848 ( 0.000 -1.834 0.000) 1.834 51.199 ( 0.000 -3.417 0.000) 3.417 51.966 ( 0.000 -6.552 0.000) 6.552 52.987 ( 0.000 -10.887 0.000) 10.887 ======================= Grid point 6 (5/84) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 15.484 22.182 0.000) 27.052 0.947 ( 25.508 20.043 0.000) 32.440 1.608 ( -19.343 9.842 0.000) 21.703 1.784 ( 42.566 38.949 0.000) 57.696 2.206 ( -25.385 15.543 0.000) 29.765 2.438 ( 9.608 4.223 0.000) 10.495 2.620 ( -5.511 1.242 0.000) 5.649 2.968 ( 5.193 12.672 0.000) 13.695 3.208 ( 7.688 7.507 0.000) 10.746 3.391 ( -7.054 18.918 0.000) 20.191 3.479 ( 12.931 8.940 0.000) 15.720 3.564 ( -6.636 0.291 0.000) 6.643 3.883 ( -35.377 7.690 0.000) 36.204 3.976 ( -4.470 9.748 0.000) 10.724 4.418 ( -0.241 3.453 0.000) 3.461 4.481 ( -1.873 10.261 0.000) 10.430 4.586 ( -5.024 0.573 0.000) 5.056 4.734 ( 0.597 1.440 0.000) 1.559 4.843 ( -2.769 11.077 0.000) 11.418 4.846 ( -5.786 2.995 0.000) 6.516 4.990 ( 6.261 -0.270 0.000) 6.267 5.074 ( 5.215 0.841 0.000) 5.282 5.111 ( 7.303 -2.256 0.000) 7.643 5.201 ( -2.020 0.131 0.000) 2.024 5.435 ( -2.192 4.295 0.000) 4.823 5.563 ( 3.688 13.508 0.000) 14.002 5.715 ( -1.406 12.046 0.000) 12.127 5.798 ( -4.370 -1.286 0.000) 4.555 5.943 ( 6.175 -2.171 0.000) 6.546 6.060 ( -0.954 -2.869 0.000) 3.023 6.399 ( 15.806 -8.207 0.000) 17.809 6.719 ( 1.679 -3.743 0.000) 4.102 7.057 ( -4.501 -10.608 0.000) 11.523 7.194 ( -8.856 -2.189 0.000) 9.122 7.735 ( 9.023 -2.108 0.000) 9.266 7.795 ( 10.817 -5.331 0.000) 12.059 8.625 ( 0.555 -3.045 0.000) 3.096 8.685 ( -1.245 -6.265 0.000) 6.387 8.734 ( 1.689 -4.193 0.000) 4.521 8.803 ( -2.393 -2.365 0.000) 3.365 8.882 ( 1.519 -1.989 0.000) 2.503 8.960 ( -0.578 3.069 0.000) 3.123 9.057 ( -4.131 -3.802 0.000) 5.615 9.066 ( 4.771 -2.155 0.000) 5.235 9.331 ( 2.278 -2.131 0.000) 3.119 9.477 ( -9.981 -2.883 0.000) 10.389 10.059 ( -2.541 -14.487 0.000) 14.708 10.120 ( 12.715 -4.400 0.000) 13.455 10.159 ( -7.653 -7.136 0.000) 10.464 10.500 ( -3.528 -3.177 0.000) 4.748 10.703 ( 0.735 10.130 0.000) 10.156 10.776 ( 0.253 10.981 0.000) 10.984 10.779 ( -1.922 12.124 0.000) 12.275 10.817 ( -4.803 13.330 0.000) 14.168 11.649 ( 15.605 -2.528 0.000) 15.808 12.076 ( 1.864 -10.253 0.000) 10.421 16.898 ( 0.020 3.090 0.000) 3.090 16.902 ( -0.178 3.416 0.000) 3.421 16.960 ( 1.964 6.810 0.000) 7.088 17.294 ( -20.965 21.982 0.000) 30.376 17.941 ( 2.180 -0.251 0.000) 2.195 18.066 ( -2.474 -0.635 0.000) 2.555 18.234 ( 3.115 -5.302 0.000) 6.149 18.254 ( 0.455 -2.617 0.000) 2.656 31.647 ( -0.358 -0.685 0.000) 0.773 31.656 ( -0.896 -0.681 0.000) 1.126 31.723 ( 1.489 -1.158 0.000) 1.886 31.766 ( -0.298 -1.807 0.000) 1.831 50.883 ( 3.241 -2.178 0.000) 3.905 51.114 ( -5.852 -3.803 0.000) 6.979 52.310 ( 18.624 -15.914 0.000) 24.497 52.898 ( -8.025 -11.124 0.000) 13.717 ======================= Grid point 7 (6/84) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -17.866 13.868 0.000) 22.617 1.191 ( 17.866 13.868 0.000) 22.617 1.589 ( -30.220 14.612 0.000) 33.568 1.589 ( 30.220 14.612 0.000) 33.568 2.548 ( -3.168 1.843 0.000) 3.665 2.548 ( 3.168 1.843 0.000) 3.665 2.760 ( -39.685 16.654 0.000) 43.038 2.760 ( 39.685 16.654 0.000) 43.038 3.221 ( -5.654 16.783 0.000) 17.710 3.221 ( 5.654 16.783 0.000) 17.710 3.430 ( -3.943 7.615 0.000) 8.575 3.430 ( 3.943 7.615 0.000) 8.575 3.804 ( -11.207 11.149 0.000) 15.809 3.804 ( 11.207 11.149 0.000) 15.809 4.429 ( -1.410 5.626 0.000) 5.800 4.429 ( 1.410 5.626 0.000) 5.800 4.656 ( -7.006 0.133 0.000) 7.007 4.656 ( 7.006 0.133 0.000) 7.007 4.796 ( -1.241 7.003 0.000) 7.112 4.796 ( 1.241 7.003 0.000) 7.112 5.020 ( -0.704 0.044 0.000) 0.705 5.020 ( 0.704 0.044 0.000) 0.705 5.281 ( -3.598 -0.818 0.000) 3.690 5.281 ( 3.598 -0.818 0.000) 3.690 5.549 ( -13.295 -2.860 0.000) 13.599 5.549 ( 13.295 -2.860 0.000) 13.599 5.662 ( -2.184 12.965 0.000) 13.147 5.662 ( 2.184 12.965 0.000) 13.147 6.010 ( -1.579 -1.708 0.000) 2.326 6.010 ( 1.579 -1.708 0.000) 2.326 6.691 ( -8.094 -2.853 0.000) 8.582 6.691 ( 8.094 -2.853 0.000) 8.582 7.026 ( -3.144 -8.255 0.000) 8.833 7.026 ( 3.144 -8.255 0.000) 8.833 7.888 ( -2.743 -2.562 0.000) 3.754 7.888 ( 2.743 -2.562 0.000) 3.754 8.661 ( -1.842 -5.470 0.000) 5.772 8.661 ( 1.842 -5.470 0.000) 5.772 8.760 ( -1.225 -3.236 0.000) 3.460 8.760 ( 1.225 -3.236 0.000) 3.460 8.924 ( -2.346 -0.747 0.000) 2.462 8.924 ( 2.346 -0.747 0.000) 2.462 9.051 ( -3.419 -0.259 0.000) 3.428 9.051 ( 3.419 -0.259 0.000) 3.428 9.393 ( -1.436 -5.214 0.000) 5.408 9.393 ( 1.436 -5.214 0.000) 5.408 10.011 ( -1.748 -9.446 0.000) 9.606 10.011 ( 1.748 -9.446 0.000) 9.606 10.372 ( -8.781 -2.652 0.000) 9.172 10.372 ( 8.781 -2.652 0.000) 9.172 10.729 ( -1.801 10.822 0.000) 10.971 10.729 ( 1.801 10.822 0.000) 10.971 10.772 ( -0.022 11.360 0.000) 11.360 10.772 ( 0.022 11.360 0.000) 11.360 11.958 ( -11.286 -5.087 0.000) 12.379 11.958 ( 11.286 -5.087 0.000) 12.379 16.899 ( -0.083 3.149 0.000) 3.150 16.899 ( 0.083 3.149 0.000) 3.150 17.038 ( -5.982 12.383 0.000) 13.752 17.038 ( 5.982 12.383 0.000) 13.752 18.002 ( -3.179 -0.463 0.000) 3.212 18.002 ( 3.179 -0.463 0.000) 3.212 18.259 ( -0.125 -3.186 0.000) 3.188 18.259 ( 0.125 -3.186 0.000) 3.188 31.644 ( -0.175 -0.650 0.000) 0.673 31.644 ( 0.175 -0.650 0.000) 0.673 31.752 ( -1.039 -1.529 0.000) 1.848 31.752 ( 1.039 -1.529 0.000) 1.848 50.983 ( -5.730 -3.082 0.000) 6.506 50.983 ( 5.730 -3.082 0.000) 6.506 52.657 ( -13.742 -12.489 0.000) 18.570 52.657 ( 13.742 -12.489 0.000) 18.570 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 32.184 0.000) 32.184 1.352 ( 0.000 34.790 0.000) 34.790 2.197 ( 0.000 18.920 0.000) 18.920 2.267 ( 0.000 42.301 0.000) 42.301 2.464 ( 0.000 22.705 0.000) 22.705 2.764 ( 0.000 11.454 0.000) 11.454 2.999 ( 0.000 13.175 0.000) 13.175 3.211 ( 0.000 20.084 0.000) 20.084 3.268 ( 0.000 8.996 0.000) 8.996 3.436 ( 0.000 10.938 0.000) 10.938 3.635 ( 0.000 1.157 0.000) 1.157 3.888 ( 0.000 18.866 0.000) 18.866 4.272 ( 0.000 15.891 0.000) 15.891 4.336 ( 0.000 -2.297 0.000) 2.297 4.462 ( 0.000 -6.188 0.000) 6.188 4.464 ( 0.000 1.561 0.000) 1.561 4.709 ( 0.000 4.621 0.000) 4.621 4.799 ( 0.000 2.970 0.000) 2.970 4.833 ( 0.000 -2.683 0.000) 2.683 5.044 ( 0.000 8.828 0.000) 8.828 5.082 ( 0.000 6.689 0.000) 6.689 5.104 ( 0.000 2.167 0.000) 2.167 5.242 ( 0.000 17.469 0.000) 17.469 5.252 ( 0.000 -0.724 0.000) 0.724 5.512 ( 0.000 -7.941 0.000) 7.941 5.864 ( 0.000 15.002 0.000) 15.002 5.931 ( 0.000 2.328 0.000) 2.328 5.947 ( 0.000 20.898 0.000) 20.898 6.007 ( 0.000 4.254 0.000) 4.254 6.049 ( 0.000 5.319 0.000) 5.319 6.123 ( 0.000 19.067 0.000) 19.067 6.626 ( 0.000 -0.857 0.000) 0.857 6.969 ( 0.000 -10.393 0.000) 10.393 7.368 ( 0.000 5.450 0.000) 5.450 7.439 ( 0.000 -9.001 0.000) 9.001 7.510 ( 0.000 -5.053 0.000) 5.053 8.542 ( 0.000 -10.153 0.000) 10.153 8.568 ( 0.000 -3.907 0.000) 3.907 8.598 ( 0.000 -5.611 0.000) 5.611 8.739 ( 0.000 -6.851 0.000) 6.851 8.820 ( 0.000 -4.086 0.000) 4.086 8.901 ( 0.000 -3.099 0.000) 3.099 9.011 ( 0.000 -6.244 0.000) 6.244 9.022 ( 0.000 2.113 0.000) 2.113 9.206 ( 0.000 -8.212 0.000) 8.212 9.578 ( 0.000 -9.846 0.000) 9.846 9.786 ( 0.000 -9.244 0.000) 9.244 9.796 ( 0.000 -12.453 0.000) 12.453 10.180 ( 0.000 3.960 0.000) 3.960 10.456 ( 0.000 -4.995 0.000) 4.995 10.962 ( 0.000 15.837 0.000) 15.837 11.016 ( 0.000 13.994 0.000) 13.994 11.107 ( 0.000 16.409 0.000) 16.409 11.245 ( 0.000 14.368 0.000) 14.368 11.298 ( 0.000 -7.524 0.000) 7.524 11.889 ( 0.000 -4.496 0.000) 4.496 16.984 ( 0.000 5.375 0.000) 5.375 17.005 ( 0.000 5.969 0.000) 5.969 17.066 ( 0.000 7.108 0.000) 7.108 17.873 ( 0.000 -2.305 0.000) 2.305 17.928 ( 0.000 -0.490 0.000) 0.490 17.978 ( 0.000 -1.433 0.000) 1.433 18.076 ( 0.000 -1.279 0.000) 1.279 18.181 ( 0.000 -3.884 0.000) 3.884 31.635 ( 0.000 -1.065 0.000) 1.065 31.653 ( 0.000 -1.208 0.000) 1.208 31.676 ( 0.000 -1.321 0.000) 1.321 31.719 ( 0.000 -2.739 0.000) 2.739 50.801 ( 0.000 -2.600 0.000) 2.600 51.104 ( 0.000 -5.878 0.000) 5.878 51.782 ( 0.000 -11.496 0.000) 11.496 52.687 ( 0.000 -18.405 0.000) 18.405 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 7.980 28.905 0.000) 29.986 1.442 ( 12.440 28.108 0.000) 30.738 1.914 ( -16.701 20.218 0.000) 26.224 2.556 ( -25.120 17.841 0.000) 30.811 2.589 ( 12.444 15.355 0.000) 19.764 2.673 ( 21.783 41.749 0.000) 47.091 2.734 ( -8.076 9.613 0.000) 12.555 3.196 ( 4.842 10.450 0.000) 11.518 3.416 ( 9.511 10.994 0.000) 14.537 3.585 ( -4.546 4.632 0.000) 6.490 3.752 ( 15.593 16.831 0.000) 22.944 3.825 ( -4.854 18.999 0.000) 19.609 4.067 ( -20.465 10.623 0.000) 23.058 4.201 ( -5.203 10.754 0.000) 11.947 4.491 ( 2.020 3.289 0.000) 3.860 4.528 ( 4.460 -0.993 0.000) 4.569 4.638 ( -4.812 4.339 0.000) 6.479 4.747 ( -1.422 -1.216 0.000) 1.871 4.904 ( -2.373 2.230 0.000) 3.257 5.091 ( 10.341 1.792 0.000) 10.495 5.092 ( -2.090 7.630 0.000) 7.911 5.122 ( -0.524 3.965 0.000) 4.000 5.129 ( -7.483 15.553 0.000) 17.260 5.221 ( 1.578 2.921 0.000) 3.320 5.468 ( -2.916 -1.441 0.000) 3.253 5.734 ( -10.153 -2.163 0.000) 10.381 5.915 ( 0.942 8.568 0.000) 8.620 5.951 ( -0.126 10.429 0.000) 10.430 6.024 ( 1.059 7.550 0.000) 7.624 6.102 ( -1.816 18.020 0.000) 18.112 6.334 ( 17.610 2.056 0.000) 17.730 6.653 ( 2.014 -0.751 0.000) 2.149 6.873 ( -4.332 -7.219 0.000) 8.419 7.154 ( -13.248 -1.387 0.000) 13.320 7.650 ( 13.198 -8.596 0.000) 15.751 7.708 ( 10.420 0.604 0.000) 10.438 8.523 ( -0.800 -9.770 0.000) 9.803 8.551 ( -1.317 -4.409 0.000) 4.601 8.624 ( 1.824 -6.185 0.000) 6.449 8.720 ( -2.278 -6.172 0.000) 6.579 8.811 ( 1.083 -4.487 0.000) 4.616 8.947 ( -4.693 -5.715 0.000) 7.395 9.007 ( 6.344 -3.745 0.000) 7.367 9.024 ( 0.714 2.084 0.000) 2.203 9.224 ( 1.539 -7.484 0.000) 7.640 9.389 ( -10.621 -5.970 0.000) 12.184 9.798 ( -0.314 -12.167 0.000) 12.171 9.873 ( 0.494 -13.411 0.000) 13.420 10.192 ( 3.353 3.437 0.000) 4.801 10.420 ( -3.233 -4.881 0.000) 5.855 10.970 ( 0.452 15.377 0.000) 15.384 11.019 ( -0.476 12.721 0.000) 12.730 11.046 ( -5.362 8.946 0.000) 10.430 11.072 ( -2.735 16.297 0.000) 16.525 11.599 ( 14.437 -1.836 0.000) 14.553 11.916 ( 0.684 -6.649 0.000) 6.685 16.984 ( 0.015 5.353 0.000) 5.353 16.994 ( -0.586 5.574 0.000) 5.605 17.120 ( 4.721 8.378 0.000) 9.617 17.572 ( -16.631 7.533 0.000) 18.258 17.933 ( 1.918 -0.469 0.000) 1.974 18.047 ( -2.334 -1.214 0.000) 2.631 18.129 ( 4.472 -4.945 0.000) 6.667 18.186 ( 0.233 -3.937 0.000) 3.944 31.630 ( -0.311 -0.998 0.000) 1.046 31.639 ( -0.763 -0.996 0.000) 1.255 31.693 ( 1.054 -1.720 0.000) 2.017 31.720 ( -0.071 -2.606 0.000) 2.607 50.828 ( 2.457 -3.116 0.000) 3.968 51.021 ( -5.655 -5.389 0.000) 7.812 52.001 ( 15.966 -15.460 0.000) 22.225 52.596 ( -8.245 -18.282 0.000) 20.056 ======================= Grid point 12 (9/84) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -13.425 23.914 0.000) 27.425 1.579 ( 13.425 23.914 0.000) 27.425 1.917 ( -28.863 17.979 0.000) 34.005 1.917 ( 28.863 17.979 0.000) 34.005 2.681 ( -0.720 10.915 0.000) 10.939 2.681 ( 0.720 10.915 0.000) 10.939 3.210 ( -14.706 23.142 0.000) 27.419 3.210 ( 14.706 23.142 0.000) 27.419 3.487 ( -0.066 15.449 0.000) 15.450 3.487 ( 0.066 15.449 0.000) 15.450 3.739 ( -0.103 17.519 0.000) 17.520 3.739 ( 0.103 17.519 0.000) 17.520 4.044 ( -9.985 11.229 0.000) 15.026 4.044 ( 9.985 11.229 0.000) 15.026 4.551 ( -3.282 7.318 0.000) 8.020 4.551 ( 3.282 7.318 0.000) 8.020 4.645 ( -6.491 -1.953 0.000) 6.778 4.645 ( 6.491 -1.953 0.000) 6.778 4.941 ( -6.340 7.697 0.000) 9.972 4.941 ( 6.340 7.697 0.000) 9.972 5.087 ( -1.182 5.220 0.000) 5.352 5.087 ( 1.182 5.220 0.000) 5.352 5.293 ( -0.447 2.817 0.000) 2.852 5.293 ( 0.447 2.817 0.000) 2.852 5.479 ( -9.355 -3.463 0.000) 9.975 5.479 ( 9.355 -3.463 0.000) 9.975 5.937 ( -0.915 4.703 0.000) 4.791 5.937 ( 0.915 4.703 0.000) 4.791 6.056 ( -2.064 14.638 0.000) 14.783 6.056 ( 2.064 14.638 0.000) 14.783 6.649 ( -6.505 0.190 0.000) 6.508 6.649 ( 6.505 0.190 0.000) 6.508 6.879 ( -8.099 -5.267 0.000) 9.661 6.879 ( 8.099 -5.267 0.000) 9.661 7.830 ( -1.241 -2.606 0.000) 2.887 7.830 ( 1.241 -2.606 0.000) 2.887 8.525 ( -0.834 -7.841 0.000) 7.885 8.525 ( 0.834 -7.841 0.000) 7.885 8.665 ( -2.206 -6.131 0.000) 6.516 8.665 ( 2.206 -6.131 0.000) 6.516 8.857 ( -3.123 -4.954 0.000) 5.856 8.857 ( 3.123 -4.954 0.000) 5.856 9.063 ( -1.887 0.512 0.000) 1.955 9.063 ( 1.887 0.512 0.000) 1.955 9.253 ( -1.564 -8.073 0.000) 8.223 9.253 ( 1.564 -8.073 0.000) 8.223 9.811 ( -2.737 -10.363 0.000) 10.718 9.811 ( 2.737 -10.363 0.000) 10.718 10.317 ( -6.141 -3.124 0.000) 6.890 10.317 ( 6.141 -3.124 0.000) 6.890 10.985 ( -1.732 12.342 0.000) 12.463 10.985 ( 1.732 12.342 0.000) 12.463 11.023 ( -1.373 14.772 0.000) 14.835 11.023 ( 1.373 14.772 0.000) 14.835 11.848 ( -7.636 -5.566 0.000) 9.450 11.848 ( 7.636 -5.566 0.000) 9.450 16.986 ( -0.189 5.358 0.000) 5.361 16.986 ( 0.189 5.358 0.000) 5.361 17.277 ( -10.172 10.217 0.000) 14.417 17.277 ( 10.172 10.217 0.000) 14.417 17.988 ( -2.882 -0.880 0.000) 3.014 17.988 ( 2.882 -0.880 0.000) 3.014 18.181 ( -0.965 -4.376 0.000) 4.481 18.181 ( 0.965 -4.376 0.000) 4.481 31.628 ( -0.195 -0.928 0.000) 0.948 31.628 ( 0.195 -0.928 0.000) 0.948 31.712 ( -0.644 -2.235 0.000) 2.325 31.712 ( 0.644 -2.235 0.000) 2.325 50.905 ( -4.633 -4.355 0.000) 6.358 50.905 ( 4.633 -4.355 0.000) 6.358 52.345 ( -14.462 -17.815 0.000) 22.946 52.345 ( 14.462 -17.815 0.000) 22.946 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 32.348 0.000) 32.348 2.047 ( 0.000 34.490 0.000) 34.490 2.648 ( 0.000 25.156 0.000) 25.156 2.700 ( 0.000 17.439 0.000) 17.439 3.005 ( 0.000 11.683 0.000) 11.683 3.214 ( 0.000 30.311 0.000) 30.311 3.250 ( 0.000 11.953 0.000) 11.953 3.406 ( 0.000 5.932 0.000) 5.932 3.613 ( 0.000 17.916 0.000) 17.916 3.638 ( 0.000 8.075 0.000) 8.075 3.784 ( 0.000 18.171 0.000) 18.171 4.167 ( 0.000 9.660 0.000) 9.660 4.253 ( 0.000 -5.304 0.000) 5.304 4.345 ( 0.000 -5.251 0.000) 5.251 4.558 ( 0.000 9.555 0.000) 9.555 4.591 ( 0.000 10.140 0.000) 10.140 4.746 ( 0.000 -4.869 0.000) 4.869 4.818 ( 0.000 0.765 0.000) 0.765 4.877 ( 0.000 12.924 0.000) 12.924 5.099 ( 0.000 -4.696 0.000) 4.696 5.192 ( 0.000 4.235 0.000) 4.235 5.227 ( 0.000 -2.037 0.000) 2.037 5.251 ( 0.000 10.999 0.000) 10.999 5.530 ( 0.000 8.843 0.000) 8.843 5.537 ( 0.000 10.397 0.000) 10.397 5.876 ( 0.000 -5.548 0.000) 5.548 5.909 ( 0.000 -0.163 0.000) 0.163 6.133 ( 0.000 -2.628 0.000) 2.628 6.207 ( 0.000 11.353 0.000) 11.353 6.357 ( 0.000 9.673 0.000) 9.673 6.499 ( 0.000 17.043 0.000) 17.043 6.806 ( 0.000 14.492 0.000) 14.492 6.902 ( 0.000 11.328 0.000) 11.328 7.259 ( 0.000 -7.509 0.000) 7.509 7.472 ( 0.000 4.918 0.000) 4.918 7.556 ( 0.000 13.977 0.000) 13.977 8.318 ( 0.000 -11.792 0.000) 11.792 8.475 ( 0.000 -5.374 0.000) 5.374 8.487 ( 0.000 -5.327 0.000) 5.327 8.575 ( 0.000 -9.202 0.000) 9.202 8.728 ( 0.000 -4.572 0.000) 4.572 8.843 ( 0.000 -2.356 0.000) 2.356 8.903 ( 0.000 -3.925 0.000) 3.925 9.043 ( 0.000 -0.453 0.000) 0.453 9.052 ( 0.000 -6.328 0.000) 6.328 9.356 ( 0.000 -11.404 0.000) 11.404 9.544 ( 0.000 -12.575 0.000) 12.575 9.559 ( 0.000 -11.929 0.000) 11.929 10.316 ( 0.000 7.398 0.000) 7.398 10.348 ( 0.000 -5.690 0.000) 5.690 11.119 ( 0.000 -10.452 0.000) 10.452 11.254 ( 0.000 8.248 0.000) 8.248 11.292 ( 0.000 16.221 0.000) 16.221 11.435 ( 0.000 15.845 0.000) 15.845 11.486 ( 0.000 9.849 0.000) 9.849 11.796 ( 0.000 -3.726 0.000) 3.726 17.104 ( 0.000 6.443 0.000) 6.443 17.130 ( 0.000 6.198 0.000) 6.198 17.203 ( 0.000 6.250 0.000) 6.250 17.815 ( 0.000 -3.467 0.000) 3.467 17.917 ( 0.000 -0.577 0.000) 0.577 17.950 ( 0.000 -1.366 0.000) 1.366 18.045 ( 0.000 -1.721 0.000) 1.721 18.101 ( 0.000 -3.929 0.000) 3.929 31.614 ( 0.000 -1.006 0.000) 1.006 31.630 ( 0.000 -1.047 0.000) 1.047 31.649 ( 0.000 -1.264 0.000) 1.264 31.667 ( 0.000 -2.368 0.000) 2.368 50.754 ( 0.000 -1.783 0.000) 1.783 50.975 ( 0.000 -6.687 0.000) 6.687 51.525 ( 0.000 -13.837 0.000) 13.837 52.282 ( 0.000 -21.485 0.000) 21.485 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 4.571 30.798 0.000) 31.135 2.030 ( 3.029 29.925 0.000) 30.078 2.381 ( -13.878 25.547 0.000) 29.073 2.893 ( -25.102 15.630 0.000) 29.571 2.896 ( 6.764 17.412 0.000) 18.679 2.969 ( -7.543 12.873 0.000) 14.920 3.408 ( 12.469 22.103 0.000) 25.378 3.413 ( 5.587 11.371 0.000) 12.670 3.557 ( 13.508 3.074 0.000) 13.853 3.819 ( 4.081 24.003 0.000) 24.348 4.082 ( 11.795 14.929 0.000) 19.026 4.108 ( -5.794 9.582 0.000) 11.197 4.266 ( -1.733 5.479 0.000) 5.746 4.300 ( -3.100 -0.025 0.000) 3.100 4.548 ( 0.340 2.462 0.000) 2.485 4.570 ( 0.779 6.457 0.000) 6.504 4.710 ( -0.103 -0.383 0.000) 0.396 4.832 ( -3.079 13.799 0.000) 14.138 4.921 ( 5.096 -0.035 0.000) 5.096 5.072 ( 1.479 -5.395 0.000) 5.594 5.138 ( -3.881 -0.969 0.000) 4.000 5.267 ( 0.406 9.786 0.000) 9.794 5.345 ( 7.099 7.456 0.000) 10.295 5.416 ( -10.962 9.421 0.000) 14.454 5.536 ( -0.185 10.052 0.000) 10.054 5.640 ( -13.158 -5.444 0.000) 14.240 5.879 ( -0.420 -2.996 0.000) 3.025 6.065 ( -5.770 -1.268 0.000) 5.908 6.317 ( 1.677 8.218 0.000) 8.388 6.450 ( -3.928 13.797 0.000) 14.345 6.471 ( 13.410 9.712 0.000) 16.557 6.802 ( -0.016 14.207 0.000) 14.207 6.872 ( -1.964 10.885 0.000) 11.061 7.161 ( -16.033 4.156 0.000) 16.563 7.495 ( 17.113 -4.776 0.000) 17.767 7.814 ( 9.366 11.191 0.000) 14.594 8.308 ( 0.186 -11.194 0.000) 11.196 8.453 ( -2.209 -5.144 0.000) 5.598 8.496 ( 0.661 -6.525 0.000) 6.558 8.562 ( -1.607 -9.199 0.000) 9.338 8.728 ( 0.883 -3.470 0.000) 3.581 8.847 ( -3.907 -3.414 0.000) 5.188 8.924 ( 5.776 -4.075 0.000) 7.068 9.045 ( 0.380 -0.178 0.000) 0.420 9.072 ( 1.038 -6.935 0.000) 7.012 9.250 ( -7.200 -7.380 0.000) 10.310 9.559 ( 1.183 -11.787 0.000) 11.846 9.607 ( 1.718 -13.019 0.000) 13.132 10.260 ( -3.270 2.616 0.000) 4.188 10.312 ( -2.960 -5.696 0.000) 6.419 11.122 ( 1.323 -0.464 0.000) 1.402 11.243 ( -1.460 8.180 0.000) 8.309 11.302 ( 1.090 15.785 0.000) 15.823 11.399 ( -2.857 15.676 0.000) 15.934 11.601 ( 8.031 2.363 0.000) 8.371 11.798 ( -0.371 -4.513 0.000) 4.528 17.103 ( -0.058 6.366 0.000) 6.367 17.113 ( -0.791 6.122 0.000) 6.173 17.270 ( 5.488 6.298 0.000) 8.354 17.653 ( -10.641 1.441 0.000) 10.738 17.922 ( 1.502 -0.597 0.000) 1.616 18.019 ( -2.094 -1.626 0.000) 2.651 18.040 ( 3.829 -3.858 0.000) 5.435 18.106 ( 0.086 -3.923 0.000) 3.924 31.610 ( -0.193 -0.911 0.000) 0.931 31.619 ( -0.602 -0.869 0.000) 1.057 31.659 ( 0.591 -1.591 0.000) 1.697 31.669 ( 0.134 -2.291 0.000) 2.295 50.770 ( 1.463 -2.394 0.000) 2.806 50.908 ( -4.578 -5.656 0.000) 7.276 51.684 ( 12.343 -16.116 0.000) 20.300 52.197 ( -7.591 -20.950 0.000) 22.283 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -10.337 28.311 0.000) 30.139 2.109 ( 10.337 28.311 0.000) 30.139 2.303 ( -21.934 20.179 0.000) 29.804 2.303 ( 21.934 20.179 0.000) 29.804 2.955 ( -0.216 15.877 0.000) 15.878 2.955 ( 0.216 15.877 0.000) 15.878 3.519 ( -2.349 10.530 0.000) 10.789 3.519 ( 2.349 10.530 0.000) 10.789 3.851 ( -10.281 10.385 0.000) 14.614 3.851 ( 10.281 10.385 0.000) 14.614 4.082 ( -10.790 22.223 0.000) 24.704 4.082 ( 10.790 22.223 0.000) 24.704 4.224 ( -4.139 6.455 0.000) 7.668 4.224 ( 4.139 6.455 0.000) 7.668 4.599 ( -2.480 -2.003 0.000) 3.188 4.599 ( 2.480 -2.003 0.000) 3.188 4.748 ( -3.946 11.384 0.000) 12.049 4.748 ( 3.946 11.384 0.000) 12.049 5.052 ( -8.893 2.204 0.000) 9.162 5.052 ( 8.893 2.204 0.000) 9.162 5.149 ( -3.053 -1.012 0.000) 3.216 5.149 ( 3.053 -1.012 0.000) 3.216 5.362 ( -10.156 4.050 0.000) 10.933 5.362 ( 10.156 4.050 0.000) 10.933 5.511 ( -2.686 9.155 0.000) 9.541 5.511 ( 2.686 9.155 0.000) 9.541 5.931 ( -5.181 -3.137 0.000) 6.057 5.931 ( 5.181 -3.137 0.000) 6.057 6.363 ( -3.360 9.210 0.000) 9.804 6.363 ( 3.360 9.210 0.000) 9.804 6.779 ( -9.370 13.521 0.000) 16.450 6.779 ( 9.370 13.521 0.000) 16.450 6.854 ( -5.026 3.710 0.000) 6.247 6.854 ( 5.026 3.710 0.000) 6.247 7.818 ( -9.490 2.560 0.000) 9.829 7.818 ( 9.490 2.560 0.000) 9.829 8.371 ( -4.883 -6.782 0.000) 8.357 8.371 ( 4.883 -6.782 0.000) 8.357 8.519 ( -1.676 -8.271 0.000) 8.439 8.519 ( 1.676 -8.271 0.000) 8.439 8.770 ( -2.882 -2.943 0.000) 4.119 8.770 ( 2.882 -2.943 0.000) 4.119 9.032 ( -3.152 -4.240 0.000) 5.284 9.032 ( 3.152 -4.240 0.000) 5.284 9.114 ( -4.393 -4.618 0.000) 6.374 9.114 ( 4.393 -4.618 0.000) 6.374 9.595 ( -1.960 -11.214 0.000) 11.384 9.595 ( 1.960 -11.214 0.000) 11.384 10.247 ( -2.133 -3.911 0.000) 4.455 10.247 ( 2.133 -3.911 0.000) 4.455 11.183 ( -3.615 6.811 0.000) 7.711 11.183 ( 3.615 6.811 0.000) 7.711 11.339 ( -2.285 15.468 0.000) 15.636 11.339 ( 2.285 15.468 0.000) 15.636 11.749 ( -4.687 -3.586 0.000) 5.902 11.749 ( 4.687 -3.586 0.000) 5.902 17.104 ( -0.164 6.205 0.000) 6.207 17.104 ( 0.164 6.205 0.000) 6.207 17.430 ( -9.194 5.257 0.000) 10.591 17.430 ( 9.194 5.257 0.000) 10.591 17.967 ( -2.422 -1.142 0.000) 2.678 17.967 ( 2.422 -1.142 0.000) 2.678 18.094 ( -1.328 -4.124 0.000) 4.333 18.094 ( 1.328 -4.124 0.000) 4.333 31.610 ( -0.222 -0.802 0.000) 0.833 31.610 ( 0.222 -0.802 0.000) 0.833 31.668 ( -0.243 -2.020 0.000) 2.035 31.668 ( 0.243 -2.020 0.000) 2.035 50.820 ( -3.226 -3.922 0.000) 5.078 50.820 ( 3.226 -3.922 0.000) 5.078 51.970 ( -12.750 -19.213 0.000) 23.058 51.970 ( 12.750 -19.213 0.000) 23.058 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 30.832 0.000) 30.832 2.715 ( 0.000 31.820 0.000) 31.820 3.033 ( 0.000 14.502 0.000) 14.502 3.157 ( 0.000 24.549 0.000) 24.549 3.178 ( 0.000 4.544 0.000) 4.544 3.461 ( 0.000 8.867 0.000) 8.867 3.542 ( 0.000 8.295 0.000) 8.295 3.568 ( 0.000 12.815 0.000) 12.815 3.773 ( 0.000 6.084 0.000) 6.084 3.775 ( 0.000 -4.504 0.000) 4.504 4.230 ( 0.000 1.281 0.000) 1.281 4.290 ( 0.000 12.690 0.000) 12.690 4.305 ( 0.000 4.873 0.000) 4.873 4.374 ( 0.000 25.994 0.000) 25.994 4.634 ( 0.000 -4.318 0.000) 4.318 4.657 ( 0.000 1.626 0.000) 1.626 4.824 ( 0.000 9.426 0.000) 9.426 4.851 ( 0.000 2.099 0.000) 2.099 4.989 ( 0.000 -4.592 0.000) 4.592 5.118 ( 0.000 1.903 0.000) 1.903 5.192 ( 0.000 5.850 0.000) 5.850 5.245 ( 0.000 0.619 0.000) 0.619 5.463 ( 0.000 9.832 0.000) 9.832 5.548 ( 0.000 -5.060 0.000) 5.060 5.738 ( 0.000 -7.558 0.000) 7.558 5.773 ( 0.000 10.641 0.000) 10.641 5.954 ( 0.000 1.858 0.000) 1.858 6.020 ( 0.000 -5.820 0.000) 5.820 6.358 ( 0.000 -3.305 0.000) 3.305 6.361 ( 0.000 2.693 0.000) 2.693 6.753 ( 0.000 7.150 0.000) 7.150 6.872 ( 0.000 -7.348 0.000) 7.348 7.230 ( 0.000 6.724 0.000) 6.724 7.392 ( 0.000 29.747 0.000) 29.747 7.800 ( 0.000 21.836 0.000) 21.836 7.915 ( 0.000 18.560 0.000) 18.560 8.112 ( 0.000 -5.414 0.000) 5.414 8.363 ( 0.000 -5.487 0.000) 5.487 8.386 ( 0.000 -4.895 0.000) 4.895 8.398 ( 0.000 -6.792 0.000) 6.792 8.663 ( 0.000 -0.938 0.000) 0.938 8.835 ( 0.000 2.627 0.000) 2.627 8.870 ( 0.000 0.704 0.000) 0.704 8.954 ( 0.000 -2.481 0.000) 2.481 9.022 ( 0.000 -2.150 0.000) 2.150 9.159 ( 0.000 -7.631 0.000) 7.631 9.302 ( 0.000 -11.437 0.000) 11.437 9.337 ( 0.000 -9.916 0.000) 9.916 10.238 ( 0.000 -4.917 0.000) 4.917 10.424 ( 0.000 2.495 0.000) 2.495 10.871 ( 0.000 -14.571 0.000) 14.571 11.265 ( 0.000 -7.710 0.000) 7.710 11.585 ( 0.000 12.583 0.000) 12.583 11.647 ( 0.000 6.596 0.000) 6.596 11.721 ( 0.000 12.412 0.000) 12.412 11.806 ( 0.000 4.949 0.000) 4.949 17.234 ( 0.000 6.406 0.000) 6.406 17.244 ( 0.000 5.050 0.000) 5.050 17.308 ( 0.000 4.140 0.000) 4.140 17.738 ( 0.000 -4.172 0.000) 4.172 17.906 ( 0.000 -0.523 0.000) 0.523 17.925 ( 0.000 -1.084 0.000) 1.084 18.009 ( 0.000 -1.841 0.000) 1.841 18.029 ( 0.000 -3.132 0.000) 3.132 31.597 ( 0.000 -0.623 0.000) 0.623 31.613 ( 0.000 -0.614 0.000) 0.614 31.627 ( 0.000 -0.901 0.000) 0.901 31.628 ( 0.000 -1.488 0.000) 1.488 50.740 ( 0.000 0.624 0.000) 0.624 50.850 ( 0.000 -5.555 0.000) 5.555 51.248 ( 0.000 -13.392 0.000) 13.392 51.853 ( 0.000 -20.914 0.000) 20.914 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 2.938 29.888 0.000) 30.033 2.603 ( -4.171 26.332 0.000) 26.661 2.898 ( -9.953 25.299 0.000) 27.187 3.129 ( -24.912 6.265 0.000) 25.688 3.234 ( 2.297 13.583 0.000) 13.776 3.261 ( 4.666 18.444 0.000) 19.025 3.594 ( 11.626 1.720 0.000) 11.752 3.636 ( 3.942 10.579 0.000) 11.290 3.645 ( 4.474 7.892 0.000) 9.072 4.180 ( -6.315 -0.317 0.000) 6.323 4.234 ( 11.104 -4.563 0.000) 12.005 4.320 ( 6.075 7.246 0.000) 9.456 4.335 ( 1.198 6.342 0.000) 6.454 4.404 ( 2.574 21.861 0.000) 22.012 4.597 ( -1.495 4.396 0.000) 4.643 4.696 ( -2.123 6.836 0.000) 7.158 4.818 ( 6.380 6.785 0.000) 9.314 4.912 ( 5.205 -2.424 0.000) 5.742 4.964 ( -0.129 -0.898 0.000) 0.908 5.013 ( -6.626 -0.455 0.000) 6.641 5.164 ( -1.578 7.717 0.000) 7.877 5.399 ( -14.410 -6.594 0.000) 15.847 5.466 ( 11.083 3.259 0.000) 11.552 5.468 ( -0.107 9.583 0.000) 9.584 5.568 ( -3.313 -4.384 0.000) 5.495 5.770 ( -0.246 10.637 0.000) 10.640 5.902 ( -4.537 4.577 0.000) 6.445 5.977 ( -4.335 -4.767 0.000) 6.443 6.344 ( 0.764 -1.891 0.000) 2.039 6.599 ( -9.843 0.339 0.000) 9.849 6.609 ( 14.768 1.549 0.000) 14.849 6.929 ( 1.723 -1.713 0.000) 2.430 7.174 ( -2.460 14.997 0.000) 15.197 7.469 ( -17.334 23.520 0.000) 29.217 7.606 ( 15.690 17.025 0.000) 23.152 8.086 ( -2.794 -3.157 0.000) 4.216 8.157 ( 9.903 12.028 0.000) 15.580 8.354 ( -0.895 -4.712 0.000) 4.796 8.371 ( -1.337 -5.488 0.000) 5.649 8.386 ( -1.516 -6.093 0.000) 6.279 8.691 ( 2.527 0.684 0.000) 2.618 8.827 ( -2.938 1.401 0.000) 3.255 8.879 ( 3.470 0.787 0.000) 3.558 8.974 ( 0.687 -2.277 0.000) 2.378 9.018 ( 0.047 -2.414 0.000) 2.414 9.119 ( -3.119 -5.164 0.000) 6.033 9.333 ( 2.327 -10.526 0.000) 10.780 9.367 ( 1.761 -10.648 0.000) 10.792 10.201 ( -2.873 -5.063 0.000) 5.822 10.267 ( -9.128 -2.488 0.000) 9.461 11.023 ( 9.633 -8.917 0.000) 13.127 11.262 ( -0.861 -7.254 0.000) 7.305 11.583 ( 0.269 11.540 0.000) 11.543 11.676 ( -3.412 11.695 0.000) 12.183 11.687 ( 3.031 5.910 0.000) 6.642 11.797 ( -1.083 4.935 0.000) 5.052 17.230 ( -0.583 5.349 0.000) 5.381 17.231 ( -0.261 6.246 0.000) 6.252 17.368 ( 4.753 3.497 0.000) 5.901 17.650 ( -6.600 -1.468 0.000) 6.761 17.911 ( 1.061 -0.548 0.000) 1.194 17.975 ( 2.716 -2.673 0.000) 3.811 17.985 ( -1.718 -1.664 0.000) 2.391 18.034 ( -0.055 -3.163 0.000) 3.164 31.596 ( -0.054 -0.529 0.000) 0.532 31.606 ( -0.463 -0.489 0.000) 0.673 31.631 ( 0.223 -1.487 0.000) 1.504 31.632 ( 0.248 -1.108 0.000) 1.135 50.743 ( 0.303 -0.068 0.000) 0.311 50.806 ( -2.797 -4.192 0.000) 5.039 51.368 ( 9.430 -15.193 0.000) 17.882 51.782 ( -6.405 -20.207 0.000) 21.197 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -8.079 28.232 0.000) 29.366 2.684 ( 8.079 28.232 0.000) 29.366 2.689 ( -12.505 17.886 0.000) 21.824 2.689 ( 12.505 17.886 0.000) 21.824 3.289 ( -1.490 16.896 0.000) 16.962 3.289 ( 1.490 16.896 0.000) 16.962 3.690 ( -0.752 6.994 0.000) 7.035 3.690 ( 0.752 6.994 0.000) 7.035 3.925 ( -15.645 -1.077 0.000) 15.682 3.925 ( 15.645 -1.077 0.000) 15.682 4.312 ( -2.151 4.969 0.000) 5.415 4.312 ( 2.151 4.969 0.000) 5.415 4.503 ( -1.011 12.915 0.000) 12.954 4.503 ( 1.011 12.915 0.000) 12.954 4.560 ( -2.204 0.059 0.000) 2.205 4.560 ( 2.204 0.059 0.000) 2.205 4.921 ( -1.833 3.278 0.000) 3.755 4.921 ( 1.833 3.278 0.000) 3.755 5.056 ( -10.303 -1.396 0.000) 10.397 5.056 ( 10.303 -1.396 0.000) 10.397 5.120 ( -7.604 3.348 0.000) 8.309 5.120 ( 7.604 3.348 0.000) 8.309 5.477 ( -2.930 5.256 0.000) 6.017 5.477 ( 2.930 5.256 0.000) 6.017 5.735 ( -6.910 9.634 0.000) 11.856 5.735 ( 6.910 9.634 0.000) 11.856 5.851 ( -2.998 -2.315 0.000) 3.788 5.851 ( 2.998 -2.315 0.000) 3.788 6.413 ( -6.183 -1.871 0.000) 6.460 6.413 ( 6.183 -1.871 0.000) 6.460 6.880 ( -8.092 -1.398 0.000) 8.212 6.880 ( 8.092 -1.398 0.000) 8.212 7.187 ( -6.031 22.592 0.000) 23.384 7.187 ( 6.031 22.592 0.000) 23.384 7.937 ( -12.130 6.628 0.000) 13.823 7.937 ( 12.130 6.628 0.000) 13.823 8.304 ( -4.165 1.304 0.000) 4.364 8.304 ( 4.165 1.304 0.000) 4.364 8.353 ( -0.419 -7.158 0.000) 7.170 8.353 ( 0.419 -7.158 0.000) 7.170 8.759 ( -3.333 2.169 0.000) 3.976 8.759 ( 3.333 2.169 0.000) 3.976 8.953 ( -2.667 -1.730 0.000) 3.179 8.953 ( 2.667 -1.730 0.000) 3.179 9.048 ( -2.782 -2.672 0.000) 3.858 9.048 ( 2.782 -2.672 0.000) 3.858 9.376 ( -1.116 -10.200 0.000) 10.261 9.376 ( 1.116 -10.200 0.000) 10.261 10.158 ( -0.436 -4.894 0.000) 4.914 10.158 ( 0.436 -4.894 0.000) 4.914 11.196 ( -5.633 -6.387 0.000) 8.516 11.196 ( 5.633 -6.387 0.000) 8.516 11.608 ( -2.254 11.044 0.000) 11.271 11.608 ( 2.254 11.044 0.000) 11.271 11.754 ( -2.792 4.648 0.000) 5.422 11.754 ( 2.792 4.648 0.000) 5.422 17.226 ( -0.124 5.838 0.000) 5.839 17.226 ( 0.124 5.838 0.000) 5.839 17.497 ( -6.912 1.658 0.000) 7.108 17.497 ( 6.912 1.658 0.000) 7.108 17.944 ( -1.870 -1.088 0.000) 2.164 17.944 ( 1.870 -1.088 0.000) 2.164 18.020 ( -1.343 -3.258 0.000) 3.524 18.020 ( 1.343 -3.258 0.000) 3.524 31.597 ( -0.253 -0.430 0.000) 0.499 31.597 ( 0.253 -0.430 0.000) 0.499 31.634 ( -0.022 -1.370 0.000) 1.371 31.634 ( 0.022 -1.370 0.000) 1.371 50.759 ( -1.392 -1.893 0.000) 2.349 50.759 ( 1.392 -1.893 0.000) 2.349 51.594 ( -10.348 -18.142 0.000) 20.886 51.594 ( 10.348 -18.142 0.000) 20.886 ======================= Grid point 25 (16/84) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 0.000 26.011 0.000) 26.011 3.207 ( 0.000 -0.076 0.000) 0.076 3.246 ( 0.000 7.435 0.000) 7.435 3.273 ( 0.000 21.559 0.000) 21.559 3.519 ( 0.000 -7.552 0.000) 7.552 3.577 ( 0.000 16.997 0.000) 16.997 3.686 ( 0.000 4.090 0.000) 4.090 3.703 ( 0.000 5.903 0.000) 5.903 3.861 ( 0.000 15.357 0.000) 15.357 3.886 ( 0.000 5.102 0.000) 5.102 4.212 ( 0.000 0.924 0.000) 0.924 4.402 ( 0.000 5.909 0.000) 5.909 4.554 ( 0.000 6.944 0.000) 6.944 4.563 ( 0.000 -2.694 0.000) 2.694 4.667 ( 0.000 0.963 0.000) 0.963 4.872 ( 0.000 19.693 0.000) 19.693 4.885 ( 0.000 1.001 0.000) 1.001 4.931 ( 0.000 0.985 0.000) 0.985 5.009 ( 0.000 10.531 0.000) 10.531 5.022 ( 0.000 -6.095 0.000) 6.095 5.175 ( 0.000 -8.491 0.000) 8.491 5.394 ( 0.000 9.546 0.000) 9.546 5.419 ( 0.000 -6.767 0.000) 6.767 5.592 ( 0.000 -6.809 0.000) 6.809 5.630 ( 0.000 6.193 0.000) 6.193 5.902 ( 0.000 -6.513 0.000) 6.513 5.927 ( 0.000 4.869 0.000) 4.869 5.966 ( 0.000 1.151 0.000) 1.151 6.304 ( 0.000 -2.052 0.000) 2.052 6.346 ( 0.000 -2.701 0.000) 2.701 6.628 ( 0.000 -15.031 0.000) 15.031 6.756 ( 0.000 -6.545 0.000) 6.545 7.514 ( 0.000 19.455 0.000) 19.455 7.918 ( 0.000 20.302 0.000) 20.302 7.941 ( 0.000 -3.238 0.000) 3.238 8.011 ( 0.000 -1.391 0.000) 1.391 8.269 ( 0.000 -3.675 0.000) 3.675 8.293 ( 0.000 -4.158 0.000) 4.158 8.366 ( 0.000 13.042 0.000) 13.042 8.418 ( 0.000 6.753 0.000) 6.753 8.779 ( 0.000 16.215 0.000) 16.215 8.919 ( 0.000 3.581 0.000) 3.581 8.944 ( 0.000 -1.009 0.000) 1.009 8.961 ( 0.000 4.861 0.000) 4.861 8.973 ( 0.000 -0.497 0.000) 0.497 9.097 ( 0.000 -8.835 0.000) 8.835 9.115 ( 0.000 9.060 0.000) 9.060 9.169 ( 0.000 -6.806 0.000) 6.806 10.183 ( 0.000 0.717 0.000) 0.717 10.390 ( 0.000 -6.125 0.000) 6.125 10.535 ( 0.000 -18.794 0.000) 18.794 11.005 ( 0.000 -16.763 0.000) 16.763 11.762 ( 0.000 5.024 0.000) 5.024 11.781 ( 0.000 6.972 0.000) 6.972 11.922 ( 0.000 7.556 0.000) 7.556 11.930 ( 0.000 6.034 0.000) 6.034 17.328 ( 0.000 3.316 0.000) 3.316 17.356 ( 0.000 5.760 0.000) 5.760 17.368 ( 0.000 2.004 0.000) 2.004 17.651 ( 0.000 -4.453 0.000) 4.453 17.897 ( 0.000 -0.332 0.000) 0.332 17.907 ( 0.000 -0.729 0.000) 0.729 17.975 ( 0.000 -1.476 0.000) 1.476 17.978 ( 0.000 -1.929 0.000) 1.929 31.589 ( 0.000 -0.170 0.000) 0.170 31.605 ( 0.000 -0.214 0.000) 0.214 31.606 ( 0.000 -0.771 0.000) 0.771 31.613 ( 0.000 -0.508 0.000) 0.508 50.765 ( 0.000 -2.613 0.000) 2.613 50.788 ( 0.000 4.340 0.000) 4.340 51.005 ( 0.000 -10.620 0.000) 10.620 51.462 ( 0.000 -17.947 0.000) 17.947 ======================= Grid point 26 (17/84) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -8.440 16.280 0.000) 18.338 3.105 ( 1.373 20.253 0.000) 20.299 3.190 ( -11.629 5.069 0.000) 12.686 3.346 ( -2.575 17.239 0.000) 17.430 3.416 ( 8.155 1.716 0.000) 8.334 3.613 ( 1.971 15.706 0.000) 15.829 3.663 ( 3.737 7.822 0.000) 8.669 3.807 ( -2.152 9.582 0.000) 9.821 3.831 ( 0.768 8.312 0.000) 8.348 4.112 ( -8.767 -3.884 0.000) 9.589 4.122 ( 17.077 -6.431 0.000) 18.248 4.427 ( -3.065 4.620 0.000) 5.544 4.507 ( -3.226 -1.894 0.000) 3.740 4.545 ( 3.414 13.735 0.000) 14.153 4.759 ( 7.429 -6.195 0.000) 9.673 4.796 ( -9.996 2.674 0.000) 10.347 4.869 ( -1.569 3.821 0.000) 4.131 4.937 ( 0.649 3.173 0.000) 3.239 5.012 ( -0.037 5.192 0.000) 5.192 5.050 ( 5.617 9.538 0.000) 11.069 5.224 ( -8.242 -7.153 0.000) 10.913 5.333 ( 5.740 0.871 0.000) 5.806 5.399 ( -7.701 -4.812 0.000) 9.081 5.564 ( 9.942 3.590 0.000) 10.570 5.629 ( -0.884 5.789 0.000) 5.857 5.901 ( -1.601 3.098 0.000) 3.487 5.953 ( 0.419 -0.610 0.000) 0.740 5.958 ( -1.962 2.715 0.000) 3.350 6.308 ( 0.866 -1.111 0.000) 1.409 6.490 ( -8.273 -8.960 0.000) 12.195 6.531 ( 12.800 -7.251 0.000) 14.711 6.811 ( 1.280 -9.736 0.000) 9.820 7.531 ( 2.154 20.565 0.000) 20.677 7.862 ( -8.437 9.679 0.000) 12.840 7.948 ( 2.389 11.764 0.000) 12.004 7.988 ( -0.823 -2.428 0.000) 2.563 8.259 ( -4.021 5.368 0.000) 6.707 8.261 ( -2.157 -4.029 0.000) 4.570 8.315 ( 3.902 0.106 0.000) 3.903 8.474 ( 0.803 5.298 0.000) 5.359 8.798 ( 1.629 9.666 0.000) 9.802 8.885 ( -2.129 3.519 0.000) 4.113 8.957 ( 0.462 -3.232 0.000) 3.265 8.973 ( 0.534 3.123 0.000) 3.169 8.990 ( 2.120 3.257 0.000) 3.886 9.118 ( -1.038 10.840 0.000) 10.890 9.151 ( 3.438 -7.378 0.000) 8.139 9.190 ( 1.461 -6.672 0.000) 6.830 10.143 ( -3.318 0.674 0.000) 3.386 10.159 ( -9.437 -7.266 0.000) 11.910 10.778 ( 11.543 -15.391 0.000) 19.238 11.006 ( -0.391 -16.843 0.000) 16.848 11.755 ( 0.267 6.384 0.000) 6.389 11.815 ( 2.369 5.741 0.000) 6.211 11.866 ( -3.713 7.530 0.000) 8.395 11.924 ( -1.499 5.879 0.000) 6.067 17.323 ( 0.039 3.916 0.000) 3.916 17.349 ( -0.639 5.489 0.000) 5.526 17.413 ( 3.487 1.125 0.000) 3.664 17.604 ( -3.907 -3.010 0.000) 4.932 17.902 ( 0.761 -0.285 0.000) 0.813 17.933 ( 1.672 -1.596 0.000) 2.312 17.956 ( -1.237 -1.149 0.000) 1.688 17.981 ( -0.262 -2.124 0.000) 2.140 31.589 ( 0.059 -0.101 0.000) 0.117 31.600 ( -0.345 -0.114 0.000) 0.363 31.609 ( 0.217 -0.805 0.000) 0.834 31.614 ( 0.035 -0.638 0.000) 0.639 50.751 ( -0.592 -1.051 0.000) 1.206 50.776 ( -0.990 3.595 0.000) 3.729 51.090 ( 6.834 -12.303 0.000) 14.074 51.405 ( -5.072 -17.205 0.000) 17.937 ======================= Grid point 27 (18/84) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -3.860 11.380 0.000) 12.017 2.975 ( 3.860 11.380 0.000) 12.017 3.219 ( -6.902 22.863 0.000) 23.882 3.219 ( 6.902 22.863 0.000) 23.882 3.592 ( -4.295 10.928 0.000) 11.742 3.592 ( 4.295 10.928 0.000) 11.742 3.806 ( -1.742 2.586 0.000) 3.118 3.806 ( 1.742 2.586 0.000) 3.118 3.857 ( -9.959 0.942 0.000) 10.003 3.857 ( 9.959 0.942 0.000) 10.003 4.405 ( -3.595 -2.453 0.000) 4.352 4.405 ( 3.595 -2.453 0.000) 4.352 4.493 ( -13.370 2.491 0.000) 13.601 4.493 ( 13.370 2.491 0.000) 13.601 4.720 ( -5.825 6.433 0.000) 8.678 4.720 ( 5.825 6.433 0.000) 8.678 4.960 ( -3.571 -1.036 0.000) 3.718 4.960 ( 3.571 -1.036 0.000) 3.718 5.003 ( -8.701 -0.150 0.000) 8.702 5.003 ( 8.701 -0.150 0.000) 8.702 5.217 ( -7.948 2.826 0.000) 8.436 5.217 ( 7.948 2.826 0.000) 8.436 5.545 ( -7.483 2.223 0.000) 7.806 5.545 ( 7.483 2.223 0.000) 7.806 5.797 ( -9.628 1.592 0.000) 9.758 5.797 ( 9.628 1.591 0.000) 9.758 5.929 ( -1.172 4.447 0.000) 4.599 5.929 ( 1.172 4.447 0.000) 4.599 6.353 ( -3.808 -2.597 0.000) 4.609 6.353 ( 3.808 -2.597 0.000) 4.609 6.758 ( -6.697 -9.840 0.000) 11.903 6.758 ( 6.697 -9.840 0.000) 11.903 7.645 ( -8.806 21.344 0.000) 23.089 7.645 ( 8.806 21.344 0.000) 23.089 7.984 ( -0.412 -0.781 0.000) 0.883 7.984 ( 0.412 -0.781 0.000) 0.883 8.226 ( -0.455 -3.012 0.000) 3.046 8.226 ( 0.455 -3.012 0.000) 3.046 8.425 ( -4.980 5.264 0.000) 7.247 8.425 ( 4.980 5.264 0.000) 7.247 8.839 ( -2.031 4.617 0.000) 5.044 8.839 ( 2.031 4.617 0.000) 5.044 8.973 ( -0.551 -0.036 0.000) 0.552 8.973 ( 0.551 -0.036 0.000) 0.552 9.053 ( -3.823 6.772 0.000) 7.777 9.053 ( 3.823 6.772 0.000) 7.777 9.202 ( -0.845 -7.031 0.000) 7.081 9.202 ( 0.845 -7.031 0.000) 7.081 10.078 ( -1.221 -1.352 0.000) 1.822 10.078 ( 1.221 -1.352 0.000) 1.822 10.957 ( -4.836 -16.345 0.000) 17.045 10.957 ( 4.836 -16.345 0.000) 17.045 11.788 ( -2.862 7.366 0.000) 7.903 11.788 ( 2.862 7.366 0.000) 7.903 11.874 ( -2.802 5.425 0.000) 6.106 11.874 ( 2.802 5.425 0.000) 6.106 17.332 ( -0.729 4.790 0.000) 4.845 17.332 ( 0.729 4.790 0.000) 4.845 17.505 ( -4.742 -0.691 0.000) 4.792 17.505 ( 4.742 -0.691 0.000) 4.792 17.927 ( -1.364 -0.640 0.000) 1.507 17.927 ( 1.364 -0.640 0.000) 1.507 17.965 ( -1.183 -2.174 0.000) 2.475 17.965 ( 1.183 -2.174 0.000) 2.475 31.593 ( -0.265 -0.044 0.000) 0.268 31.593 ( 0.265 -0.044 0.000) 0.268 31.613 ( -0.150 -0.783 0.000) 0.797 31.613 ( 0.150 -0.783 0.000) 0.797 50.754 ( -0.780 1.579 0.000) 1.761 50.754 ( 0.780 1.579 0.000) 1.761 51.258 ( -7.913 -15.121 0.000) 17.066 51.258 ( 7.913 -15.121 0.000) 17.066 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 0.000 2.545 0.000) 2.545 3.324 ( 0.000 -7.170 0.000) 7.170 3.373 ( 0.000 5.895 0.000) 5.895 3.462 ( 0.000 -1.056 0.000) 1.056 3.553 ( 0.000 14.684 0.000) 14.684 3.728 ( 0.000 -3.487 0.000) 3.487 3.829 ( 0.000 8.343 0.000) 8.343 3.886 ( 0.000 13.066 0.000) 13.066 3.945 ( 0.000 -1.085 0.000) 1.085 4.028 ( 0.000 -0.598 0.000) 0.598 4.357 ( 0.000 12.829 0.000) 12.829 4.514 ( 0.000 1.564 0.000) 1.564 4.527 ( 0.000 -0.484 0.000) 0.484 4.558 ( 0.000 -2.824 0.000) 2.824 4.731 ( 0.000 4.583 0.000) 4.583 4.891 ( 0.000 0.033 0.000) 0.033 4.906 ( 0.000 -1.792 0.000) 1.792 4.928 ( 0.000 -13.610 0.000) 13.610 4.961 ( 0.000 4.199 0.000) 4.199 5.108 ( 0.000 -1.118 0.000) 1.118 5.312 ( 0.000 0.836 0.000) 0.836 5.367 ( 0.000 20.225 0.000) 20.225 5.431 ( 0.000 -6.708 0.000) 6.708 5.595 ( 0.000 8.012 0.000) 8.012 5.656 ( 0.000 -5.814 0.000) 5.814 5.753 ( 0.000 -7.625 0.000) 7.625 5.986 ( 0.000 1.736 0.000) 1.736 6.015 ( 0.000 0.376 0.000) 0.376 6.276 ( 0.000 -0.601 0.000) 0.601 6.290 ( 0.000 -2.131 0.000) 2.131 6.403 ( 0.000 -2.169 0.000) 2.169 6.549 ( 0.000 -12.019 0.000) 12.019 7.907 ( 0.000 17.405 0.000) 17.405 7.914 ( 0.000 0.265 0.000) 0.265 7.947 ( 0.000 -2.921 0.000) 2.921 8.115 ( 0.000 -1.560 0.000) 1.560 8.224 ( 0.000 -0.662 0.000) 0.662 8.236 ( 0.000 -1.363 0.000) 1.363 8.489 ( 0.000 2.373 0.000) 2.373 8.501 ( 0.000 1.346 0.000) 1.346 8.897 ( 0.000 -0.834 0.000) 0.834 8.941 ( 0.000 -4.267 0.000) 4.267 8.986 ( 0.000 1.359 0.000) 1.359 9.001 ( 0.000 1.570 0.000) 1.570 9.010 ( 0.000 1.393 0.000) 1.393 9.039 ( 0.000 -3.167 0.000) 3.167 9.253 ( 0.000 21.699 0.000) 21.699 9.418 ( 0.000 10.272 0.000) 10.272 10.176 ( 0.000 -12.977 0.000) 12.977 10.200 ( 0.000 -10.850 0.000) 10.850 10.311 ( 0.000 12.362 0.000) 12.362 10.639 ( 0.000 -18.796 0.000) 18.796 11.844 ( 0.000 2.885 0.000) 2.885 11.863 ( 0.000 1.313 0.000) 1.313 12.018 ( 0.000 2.474 0.000) 2.474 12.021 ( 0.000 2.343 0.000) 2.343 17.376 ( 0.000 1.538 0.000) 1.538 17.390 ( 0.000 0.168 0.000) 0.168 17.464 ( 0.000 5.066 0.000) 5.066 17.560 ( 0.000 -4.645 0.000) 4.645 17.893 ( 0.000 -0.029 0.000) 0.029 17.896 ( 0.000 -0.342 0.000) 0.342 17.953 ( 0.000 -0.605 0.000) 0.605 17.954 ( 0.000 -0.607 0.000) 0.607 31.589 ( 0.000 0.160 0.000) 0.160 31.595 ( 0.000 -0.395 0.000) 0.395 31.603 ( 0.000 0.041 0.000) 0.041 31.606 ( 0.000 -0.234 0.000) 0.234 50.754 ( 0.000 1.628 0.000) 1.628 50.834 ( 0.000 -6.365 0.000) 6.365 50.919 ( 0.000 8.887 0.000) 8.887 51.145 ( 0.000 -13.658 0.000) 13.658 ======================= Grid point 31 (20/84) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -3.051 2.936 0.000) 4.234 3.286 ( 0.756 -5.354 0.000) 5.407 3.287 ( -6.189 10.344 0.000) 12.054 3.457 ( -1.806 -5.017 0.000) 5.332 3.620 ( 6.873 17.966 0.000) 19.236 3.850 ( 4.397 5.295 0.000) 6.883 3.874 ( -1.398 10.289 0.000) 10.384 3.904 ( 4.825 -2.144 0.000) 5.280 3.975 ( -3.631 0.834 0.000) 3.726 3.986 ( 7.357 -4.791 0.000) 8.779 4.170 ( -11.427 12.943 0.000) 17.265 4.422 ( -8.304 -8.516 0.000) 11.895 4.523 ( 1.088 4.879 0.000) 4.999 4.631 ( 5.414 -6.144 0.000) 8.189 4.765 ( -3.667 3.592 0.000) 5.134 4.860 ( -1.945 9.865 0.000) 10.055 4.883 ( -0.357 0.368 0.000) 0.513 4.918 ( 2.091 -2.871 0.000) 3.552 4.957 ( -3.267 -5.874 0.000) 6.722 5.175 ( -1.809 -11.510 0.000) 11.651 5.240 ( 3.308 5.837 0.000) 6.709 5.349 ( -2.497 -4.138 0.000) 4.833 5.368 ( -0.742 17.939 0.000) 17.954 5.642 ( -2.390 -6.646 0.000) 7.062 5.709 ( 8.445 9.397 0.000) 12.634 5.878 ( 6.195 -6.603 0.000) 9.054 5.958 ( -2.345 1.896 0.000) 3.015 5.982 ( -2.414 -0.690 0.000) 2.511 6.312 ( 2.896 1.730 0.000) 3.373 6.388 ( 7.603 -5.962 0.000) 9.661 6.389 ( -0.626 2.676 0.000) 2.748 6.572 ( 0.823 -12.713 0.000) 12.739 7.911 ( 0.091 0.564 0.000) 0.571 7.913 ( 0.432 14.526 0.000) 14.532 7.941 ( -0.294 -2.439 0.000) 2.456 8.041 ( -4.543 -0.436 0.000) 4.564 8.222 ( 0.146 1.348 0.000) 1.356 8.309 ( 5.823 -3.470 0.000) 6.779 8.438 ( -4.765 7.145 0.000) 8.589 8.510 ( -0.468 -0.741 0.000) 0.877 8.908 ( 0.682 -0.214 0.000) 0.714 8.931 ( 0.305 -0.893 0.000) 0.943 8.986 ( -0.676 1.784 0.000) 1.908 9.013 ( -3.363 2.844 0.000) 4.404 9.041 ( 3.245 1.269 0.000) 3.485 9.066 ( 3.604 -0.940 0.000) 3.724 9.142 ( -3.790 9.239 0.000) 9.986 9.338 ( -8.913 0.037 0.000) 8.913 10.108 ( 2.443 7.419 0.000) 7.811 10.282 ( -2.623 13.491 0.000) 13.744 10.423 ( 9.908 -19.262 0.000) 21.661 10.631 ( -0.938 -19.578 0.000) 19.600 11.855 ( 1.232 3.473 0.000) 3.685 11.883 ( 1.795 0.875 0.000) 1.996 11.977 ( -3.128 3.442 0.000) 4.651 11.998 ( -2.268 1.343 0.000) 2.636 17.385 ( 0.987 2.341 0.000) 2.541 17.416 ( 2.169 -0.735 0.000) 2.291 17.449 ( -1.252 4.623 0.000) 4.789 17.534 ( -2.244 -3.874 0.000) 4.477 17.900 ( 0.720 0.160 0.000) 0.737 17.910 ( 1.001 -0.774 0.000) 1.266 17.942 ( -0.806 -0.175 0.000) 0.825 17.950 ( -0.502 -0.982 0.000) 1.103 31.591 ( 0.130 0.204 0.000) 0.242 31.597 ( 0.177 -0.432 0.000) 0.467 31.600 ( -0.230 0.139 0.000) 0.268 31.605 ( -0.108 -0.338 0.000) 0.354 50.772 ( 1.829 3.283 0.000) 3.758 50.885 ( 4.324 -8.038 0.000) 9.127 50.892 ( -2.350 8.129 0.000) 8.462 51.103 ( -3.717 -12.907 0.000) 13.432 ======================= Grid point 32 (21/84) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -2.563 9.766 0.000) 10.096 3.177 ( 2.563 9.766 0.000) 10.097 3.369 ( -5.406 -7.642 0.000) 9.361 3.369 ( 5.406 -7.642 0.000) 9.361 3.793 ( -6.906 13.645 0.000) 15.293 3.793 ( 6.906 13.645 0.000) 15.293 3.921 ( -2.219 1.209 0.000) 2.527 3.921 ( 2.219 1.209 0.000) 2.527 3.964 ( -5.233 10.940 0.000) 12.127 3.964 ( 5.233 10.940 0.000) 12.127 4.224 ( -10.586 -12.812 0.000) 16.620 4.224 ( 10.586 -12.812 0.000) 16.620 4.601 ( -6.523 7.032 0.000) 9.592 4.601 ( 6.523 7.032 0.000) 9.592 4.770 ( -6.732 -7.341 0.000) 9.960 4.770 ( 6.732 -7.341 0.000) 9.960 4.906 ( -2.376 5.071 0.000) 5.600 4.906 ( 2.376 5.071 0.000) 5.600 5.017 ( -6.829 -3.446 0.000) 7.649 5.017 ( 6.829 -3.446 0.000) 7.649 5.315 ( -3.302 9.203 0.000) 9.778 5.315 ( 3.302 9.203 0.000) 9.778 5.507 ( -9.910 -7.297 0.000) 12.307 5.507 ( 9.910 -7.297 0.000) 12.307 5.869 ( -5.668 5.288 0.000) 7.752 5.869 ( 5.668 5.288 0.000) 7.752 5.952 ( -1.319 -2.019 0.000) 2.412 5.952 ( 1.319 -2.019 0.000) 2.412 6.369 ( -1.761 4.895 0.000) 5.202 6.369 ( 1.761 4.895 0.000) 5.202 6.537 ( -4.626 -10.949 0.000) 11.886 6.537 ( 4.626 -10.949 0.000) 11.886 7.918 ( -0.074 4.908 0.000) 4.908 7.918 ( 0.074 4.908 0.000) 4.908 7.959 ( -2.546 -1.234 0.000) 2.829 7.959 ( 2.546 -1.234 0.000) 2.829 8.295 ( -6.619 9.430 0.000) 11.521 8.295 ( 6.619 9.430 0.000) 11.521 8.445 ( -5.638 -3.515 0.000) 6.644 8.445 ( 5.638 -3.516 0.000) 6.644 8.927 ( -1.907 3.645 0.000) 4.114 8.927 ( 1.907 3.645 0.000) 4.114 8.967 ( -2.213 -0.180 0.000) 2.220 8.967 ( 2.213 -0.180 0.000) 2.220 9.110 ( -1.669 -0.927 0.000) 1.909 9.110 ( 1.669 -0.927 0.000) 1.909 9.149 ( -5.988 -0.851 0.000) 6.049 9.149 ( 5.988 -0.851 0.000) 6.049 10.202 ( -4.608 14.594 0.000) 15.304 10.202 ( 4.608 14.594 0.000) 15.304 10.579 ( -4.419 -20.539 0.000) 21.009 10.579 ( 4.419 -20.539 0.000) 21.009 11.903 ( -3.156 3.932 0.000) 5.041 11.903 ( 3.156 3.932 0.000) 5.041 11.937 ( -2.989 0.705 0.000) 3.071 11.937 ( 2.989 0.705 0.000) 3.071 17.416 ( -1.666 3.561 0.000) 3.932 17.416 ( 1.666 3.561 0.000) 3.932 17.474 ( -2.983 -2.284 0.000) 3.757 17.474 ( 2.983 -2.284 0.000) 3.757 17.921 ( -1.060 0.126 0.000) 1.067 17.921 ( 1.060 0.126 0.000) 1.067 17.933 ( -1.026 -1.090 0.000) 1.497 17.933 ( 1.026 -1.090 0.000) 1.497 31.595 ( -0.247 0.225 0.000) 0.334 31.595 ( 0.247 0.225 0.000) 0.334 31.601 ( -0.210 -0.438 0.000) 0.486 31.601 ( 0.210 -0.438 0.000) 0.486 50.829 ( -3.125 6.045 0.000) 6.805 50.829 ( 3.125 6.045 0.000) 6.805 50.998 ( -5.515 -10.825 0.000) 12.148 50.998 ( 5.515 -10.825 0.000) 12.148 ======================= Grid point 65 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 0.000 29.064) 29.064 0.589 ( 0.000 0.000 31.249) 31.249 1.225 ( 0.000 0.000 61.873) 61.873 2.095 ( 0.000 0.000 24.381) 24.381 2.228 ( 0.000 0.000 4.500) 4.500 2.401 ( 0.000 0.000 -10.235) 10.235 2.564 ( 0.000 0.000 4.235) 4.235 2.799 ( 0.000 0.000 -4.227) 4.227 3.075 ( 0.000 0.000 14.949) 14.949 3.110 ( 0.000 0.000 -7.167) 7.167 3.349 ( 0.000 0.000 5.513) 5.513 3.739 ( 0.000 0.000 3.466) 3.466 3.962 ( 0.000 0.000 3.933) 3.933 4.112 ( 0.000 0.000 -10.207) 10.207 4.295 ( 0.000 0.000 -19.636) 19.636 4.370 ( 0.000 0.000 -2.192) 2.192 4.638 ( 0.000 0.000 -1.811) 1.811 4.731 ( 0.000 0.000 -4.303) 4.303 4.768 ( 0.000 0.000 2.628) 2.628 4.783 ( 0.000 0.000 -2.698) 2.698 4.783 ( 0.000 0.000 3.324) 3.324 4.912 ( 0.000 0.000 2.547) 2.547 5.206 ( 0.000 0.000 -6.130) 6.130 5.392 ( 0.000 0.000 2.333) 2.333 5.424 ( 0.000 0.000 -0.904) 0.904 5.435 ( 0.000 0.000 4.910) 4.910 5.600 ( 0.000 0.000 -1.101) 1.101 5.603 ( 0.000 0.000 -15.109) 15.109 5.929 ( 0.000 0.000 -2.918) 2.918 6.003 ( 0.000 0.000 -6.954) 6.954 6.193 ( 0.000 0.000 6.822) 6.822 6.693 ( 0.000 0.000 -3.901) 3.901 7.003 ( 0.000 0.000 -16.431) 16.431 7.227 ( 0.000 0.000 -7.344) 7.344 7.669 ( 0.000 0.000 3.373) 3.373 7.816 ( 0.000 0.000 8.870) 8.870 8.669 ( 0.000 0.000 1.991) 1.991 8.761 ( 0.000 0.000 0.944) 0.944 8.778 ( 0.000 0.000 2.418) 2.418 8.858 ( 0.000 0.000 -0.632) 0.632 8.866 ( 0.000 0.000 0.625) 0.625 8.929 ( 0.000 0.000 -0.413) 0.413 9.141 ( 0.000 0.000 13.988) 13.988 9.183 ( 0.000 0.000 -0.653) 0.653 9.380 ( 0.000 0.000 4.018) 4.018 9.398 ( 0.000 0.000 -7.379) 7.379 9.683 ( 0.000 0.000 -2.293) 2.293 10.323 ( 0.000 0.000 -9.664) 9.664 10.591 ( 0.000 0.000 0.031) 0.031 10.608 ( 0.000 0.000 -0.231) 0.231 10.623 ( 0.000 0.000 -0.036) 0.036 10.625 ( 0.000 0.000 -0.066) 0.066 10.742 ( 0.000 0.000 9.243) 9.243 10.809 ( 0.000 0.000 15.571) 15.571 11.385 ( 0.000 0.000 -7.955) 7.955 11.903 ( 0.000 0.000 -6.386) 6.386 16.865 ( 0.000 0.000 0.079) 0.079 16.869 ( 0.000 0.000 0.285) 0.285 16.883 ( 0.000 0.000 -0.222) 0.222 16.890 ( 0.000 0.000 -0.032) 0.032 17.919 ( 0.000 0.000 0.208) 0.208 17.937 ( 0.000 0.000 -0.183) 0.183 18.136 ( 0.000 0.000 0.218) 0.218 18.256 ( 0.000 0.000 -1.813) 1.813 31.667 ( 0.000 0.000 0.652) 0.652 31.680 ( 0.000 0.000 -0.264) 0.264 31.711 ( 0.000 0.000 -0.146) 0.146 31.790 ( 0.000 0.000 0.086) 0.086 51.345 ( 0.000 0.000 11.131) 11.131 52.025 ( 0.000 0.000 -1.107) 1.107 53.033 ( 0.000 0.000 -0.104) 0.104 53.088 ( 0.000 0.000 -1.142) 1.142 ======================= Grid point 66 (23/84) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 17.396 0.000 19.850) 26.394 0.925 ( 24.992 0.000 19.146) 31.483 1.674 ( -20.576 0.000 13.161) 24.425 1.712 ( 35.826 0.000 34.366) 49.644 2.069 ( -23.030 0.000 3.335) 23.270 2.527 ( 12.296 0.000 14.141) 18.739 2.689 ( 7.483 0.000 -8.459) 11.294 2.765 ( -0.290 0.000 8.653) 8.658 3.070 ( -6.504 0.000 -8.851) 10.984 3.176 ( 5.231 0.000 6.902) 8.660 3.470 ( 11.269 0.000 6.350) 12.935 3.540 ( -14.771 0.000 -4.846) 15.545 3.885 ( -34.975 0.000 8.905) 36.091 3.903 ( -5.397 0.000 4.154) 6.810 4.184 ( 5.409 0.000 -8.711) 10.254 4.356 ( -1.456 0.000 -3.232) 3.545 4.534 ( 5.108 0.000 -5.735) 7.680 4.698 ( -0.241 0.000 -11.894) 11.896 4.748 ( -1.635 0.000 3.312) 3.694 4.755 ( -1.815 0.000 3.625) 4.054 4.946 ( -1.704 0.000 -11.817) 11.940 5.029 ( -0.978 0.000 -4.087) 4.202 5.172 ( 6.718 0.000 5.643) 8.773 5.261 ( 1.244 0.000 4.664) 4.827 5.433 ( 3.347 0.000 1.623) 3.720 5.438 ( 0.170 0.000 3.869) 3.872 5.577 ( -2.099 0.000 -0.713) 2.217 5.792 ( 11.071 0.000 -12.325) 16.568 5.875 ( -8.364 0.000 -4.466) 9.481 6.060 ( -6.644 0.000 -5.861) 8.859 6.339 ( 17.192 0.000 -7.432) 18.730 6.762 ( 1.365 0.000 -0.694) 1.531 7.063 ( 1.494 0.000 -13.556) 13.638 7.259 ( -3.571 0.000 -0.638) 3.628 7.601 ( 4.294 0.000 -7.743) 8.854 7.911 ( 0.839 0.000 1.196) 1.462 8.685 ( 2.202 0.000 1.682) 2.771 8.769 ( 0.796 0.000 0.856) 1.169 8.770 ( -0.635 0.000 0.845) 1.057 8.827 ( -1.624 0.000 0.249) 1.643 8.892 ( 1.181 0.000 -0.179) 1.194 8.925 ( -0.363 0.000 -0.404) 0.543 9.109 ( -4.608 0.000 -0.535) 4.639 9.150 ( -1.719 0.000 -0.207) 1.731 9.311 ( 9.971 0.000 8.420) 13.050 9.583 ( -4.488 0.000 6.502) 7.901 9.918 ( 18.061 0.000 -9.571) 20.440 10.222 ( -6.450 0.000 -3.656) 7.415 10.595 ( 0.342 0.000 0.031) 0.344 10.605 ( -9.381 0.000 10.811) 14.314 10.611 ( 0.275 0.000 -0.222) 0.353 10.616 ( -0.457 0.000 0.006) 0.457 10.624 ( -0.153 0.000 -0.116) 0.192 10.698 ( -7.268 0.000 15.858) 17.445 11.573 ( 13.656 0.000 -10.272) 17.088 11.993 ( 0.084 0.000 -18.104) 18.104 16.866 ( 0.043 0.000 0.096) 0.105 16.869 ( -0.065 0.000 0.232) 0.241 16.884 ( 0.096 0.000 -0.171) 0.196 16.889 ( -0.074 0.000 -0.047) 0.087 17.946 ( 2.315 0.000 0.304) 2.335 18.051 ( 1.038 0.000 -2.708) 2.900 18.162 ( 4.166 0.000 -5.854) 7.184 18.254 ( -0.281 0.000 -2.644) 2.659 31.642 ( -0.524 0.000 -0.810) 0.965 31.667 ( -1.117 0.000 -0.044) 1.118 31.750 ( 1.784 0.000 1.039) 2.065 31.790 ( -0.151 0.000 0.496) 0.519 51.312 ( -2.081 0.000 15.006) 15.150 51.635 ( -26.187 0.000 37.408) 45.664 52.624 ( -1.579 0.000 7.867) 8.024 52.999 ( -7.977 0.000 -1.562) 8.129 ======================= Grid point 67 (24/84) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -20.159 0.000 14.127) 24.617 1.207 ( 20.159 0.000 14.127) 24.617 1.510 ( -27.479 0.000 10.003) 29.243 1.510 ( 27.479 0.000 10.003) 29.243 2.494 ( -23.604 0.000 2.346) 23.720 2.494 ( 23.604 0.000 2.346) 23.720 2.878 ( -9.673 0.000 -9.911) 13.849 2.878 ( 9.673 0.000 -9.911) 13.849 2.967 ( -23.648 0.000 26.257) 35.336 2.967 ( 23.648 0.000 26.257) 35.336 3.371 ( -7.427 0.000 0.272) 7.432 3.371 ( 7.427 0.000 0.272) 7.432 3.727 ( -10.726 0.000 5.009) 11.838 3.727 ( 10.726 0.000 5.009) 11.838 4.296 ( -4.223 0.000 -5.949) 7.296 4.296 ( 4.223 0.000 -5.949) 7.296 4.660 ( -4.878 0.000 -4.210) 6.443 4.660 ( 4.878 0.000 -4.210) 6.443 4.728 ( -0.300 0.000 3.942) 3.954 4.728 ( 0.300 0.000 3.942) 3.954 4.924 ( -2.866 0.000 -9.711) 10.125 4.924 ( 2.866 0.000 -9.711) 10.125 5.338 ( -3.564 0.000 3.307) 4.862 5.338 ( 3.564 0.000 3.307) 4.862 5.513 ( -3.597 0.000 0.322) 3.611 5.513 ( 3.597 0.000 0.322) 3.611 5.559 ( -15.454 0.000 -5.064) 16.262 5.559 ( 15.454 0.000 -5.064) 16.262 5.962 ( -5.042 0.000 -5.697) 7.608 5.962 ( 5.042 0.000 -5.697) 7.608 6.670 ( -11.267 0.000 -4.712) 12.212 6.670 ( 11.267 0.000 -4.712) 12.212 7.115 ( -5.570 0.000 -1.133) 5.684 7.115 ( 5.570 0.000 -1.133) 5.684 7.800 ( -9.682 0.000 -10.108) 13.997 7.800 ( 9.682 0.000 -10.108) 13.997 8.743 ( -2.294 0.000 1.321) 2.647 8.743 ( 2.294 0.000 1.321) 2.647 8.794 ( -1.384 0.000 0.610) 1.512 8.794 ( 1.384 0.000 0.610) 1.512 8.913 ( -0.765 0.000 -0.350) 0.841 8.913 ( 0.765 0.000 -0.350) 0.841 9.091 ( -2.420 0.000 -0.395) 2.452 9.091 ( 2.420 0.000 -0.395) 2.452 9.498 ( -5.694 0.000 7.543) 9.451 9.498 ( 5.694 0.000 7.543) 9.451 10.128 ( -4.602 0.000 -0.499) 4.629 10.128 ( 4.602 0.000 -0.499) 4.629 10.537 ( -5.425 0.000 11.153) 12.402 10.537 ( 5.425 0.000 11.153) 12.402 10.605 ( -0.532 0.000 0.022) 0.532 10.605 ( 0.532 0.000 0.022) 0.532 10.619 ( -0.348 0.000 -0.172) 0.388 10.619 ( 0.348 0.000 -0.172) 0.388 11.858 ( -11.062 0.000 -14.670) 18.373 11.858 ( 11.062 0.000 -14.670) 18.373 16.867 ( -0.072 0.000 0.150) 0.166 16.867 ( 0.072 0.000 0.150) 0.166 16.887 ( -0.116 0.000 -0.094) 0.149 16.887 ( 0.116 0.000 -0.094) 0.149 18.009 ( -3.093 0.000 0.257) 3.104 18.009 ( 3.093 0.000 0.257) 3.104 18.234 ( -1.853 0.000 -5.089) 5.416 18.234 ( 1.853 0.000 -5.089) 5.416 31.645 ( -0.715 0.000 -0.653) 0.969 31.645 ( 0.715 0.000 -0.653) 0.969 31.779 ( -0.930 0.000 1.082) 1.426 31.779 ( 0.930 0.000 1.082) 1.426 51.321 ( -4.863 0.000 26.629) 27.069 51.321 ( 4.863 0.000 26.629) 27.069 52.781 ( -10.907 0.000 -1.385) 10.994 52.781 ( 10.907 0.000 -1.385) 10.994 ======================= Grid point 70 (25/84) ======================= q-point: ( 0.00 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 25.899 17.929) 31.499 0.868 ( 0.000 22.253 21.740) 31.110 1.664 ( 0.000 37.358 40.056) 54.774 2.120 ( 0.000 4.149 18.558) 19.016 2.304 ( 0.000 8.010 7.190) 10.763 2.550 ( 0.000 13.151 -4.071) 13.767 2.710 ( 0.000 10.050 -0.095) 10.050 2.893 ( 0.000 12.442 0.351) 12.447 3.076 ( 0.000 2.180 2.748) 3.508 3.272 ( 0.000 10.900 2.923) 11.285 3.499 ( 0.000 15.438 2.271) 15.604 3.709 ( 0.000 -2.161 3.610) 4.207 4.046 ( 0.000 8.063 1.886) 8.281 4.182 ( 0.000 0.697 -15.453) 15.469 4.337 ( 0.000 3.653 -14.869) 15.311 4.492 ( 0.000 8.174 -5.315) 9.750 4.613 ( 0.000 -3.529 -1.521) 3.843 4.628 ( 0.000 0.485 -5.913) 5.933 4.846 ( 0.000 7.052 -0.057) 7.052 4.871 ( 0.000 1.698 1.106) 2.026 4.922 ( 0.000 12.119 2.142) 12.307 4.957 ( 0.000 4.224 1.802) 4.592 5.262 ( 0.000 -6.774 2.207) 7.125 5.299 ( 0.000 7.925 -1.536) 8.073 5.422 ( 0.000 5.064 -1.712) 5.346 5.525 ( 0.000 -6.617 -13.341) 14.891 5.584 ( 0.000 13.601 0.669) 13.617 5.834 ( 0.000 12.839 0.668) 12.857 5.937 ( 0.000 3.719 3.337) 4.997 6.012 ( 0.000 1.956 -3.902) 4.365 6.131 ( 0.000 -2.844 9.801) 10.205 6.666 ( 0.000 -2.445 -2.505) 3.500 6.946 ( 0.000 -5.438 -15.126) 16.073 7.223 ( 0.000 -0.303 -8.366) 8.371 7.624 ( 0.000 -3.513 4.357) 5.596 7.769 ( 0.000 -4.454 9.522) 10.513 8.608 ( 0.000 -4.273 -0.405) 4.292 8.717 ( 0.000 -5.062 1.342) 5.237 8.759 ( 0.000 -5.805 2.983) 6.527 8.836 ( 0.000 -2.440 -0.842) 2.581 8.861 ( 0.000 1.470 -0.649) 1.607 8.963 ( 0.000 2.002 -0.154) 2.008 9.090 ( 0.000 -4.378 12.782) 13.511 9.142 ( 0.000 -4.629 0.673) 4.678 9.343 ( 0.000 -5.214 -4.539) 6.913 9.615 ( 0.000 13.269 -8.020) 15.504 9.641 ( 0.000 -3.920 -4.184) 5.733 10.107 ( 0.000 -11.816 -5.868) 13.193 10.327 ( 0.000 -18.451 8.038) 20.126 10.547 ( 0.000 -5.320 -0.017) 5.320 10.728 ( 0.000 10.860 1.673) 10.988 10.832 ( 0.000 9.941 6.212) 11.722 10.905 ( 0.000 15.645 -1.267) 15.696 10.920 ( 0.000 10.078 11.869) 15.571 11.352 ( 0.000 -2.948 -6.518) 7.153 11.905 ( 0.000 -0.576 -5.811) 5.839 16.900 ( 0.000 3.326 0.248) 3.335 16.909 ( 0.000 3.825 0.465) 3.853 16.936 ( 0.000 4.846 -0.335) 4.858 17.386 ( 0.000 25.401 -30.223) 39.480 17.918 ( 0.000 -0.111 0.121) 0.165 17.934 ( 0.000 -0.273 -0.176) 0.324 18.122 ( 0.000 -1.274 0.331) 1.316 18.231 ( 0.000 -2.390 -1.667) 2.914 31.640 ( 0.000 -1.740 -0.027) 1.740 31.671 ( 0.000 -0.845 -0.287) 0.892 31.698 ( 0.000 -1.000 -0.194) 1.018 31.768 ( 0.000 -2.096 -0.117) 2.100 51.282 ( 0.000 -6.589 10.983) 12.808 51.955 ( 0.000 -6.890 -1.467) 7.044 51.988 ( 0.000 -53.208 57.733) 78.512 52.970 ( 0.000 -11.415 -1.817) 11.559 ======================= Grid point 71 (26/84) ======================= q-point: ( 0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 11.730 18.369 16.140) 27.120 1.099 ( 20.907 16.020 15.455) 30.538 1.741 ( -20.416 7.588 11.798) 24.771 2.051 ( 28.309 29.826 22.990) 47.112 2.240 ( -22.942 14.507 2.836) 27.292 2.572 ( 9.938 6.594 16.273) 20.176 2.706 ( 2.429 3.099 5.255) 6.567 2.894 ( 3.257 10.498 -5.093) 12.114 3.181 ( 2.921 6.621 -3.334) 7.968 3.315 ( -1.222 15.668 -1.134) 15.757 3.544 ( -6.808 4.803 -1.032) 8.395 3.596 ( 6.098 8.510 5.768) 11.953 3.904 ( -24.319 4.319 3.530) 24.950 4.040 ( -7.716 9.930 5.279) 13.639 4.268 ( 2.555 5.442 -11.107) 12.629 4.452 ( -5.022 7.536 -6.083) 10.910 4.527 ( 4.307 0.705 -2.988) 5.289 4.705 ( 3.212 1.711 -8.220) 8.990 4.792 ( -3.272 3.384 0.022) 4.707 4.887 ( -2.842 11.156 3.150) 11.936 4.937 ( -1.504 0.100 -6.267) 6.446 5.024 ( 1.344 0.361 -4.232) 4.454 5.198 ( 0.016 1.411 7.700) 7.828 5.253 ( 3.271 1.235 2.530) 4.316 5.426 ( -0.006 0.742 0.818) 1.104 5.560 ( 2.817 8.537 -1.511) 9.116 5.707 ( -0.255 10.011 -2.046) 10.221 5.778 ( 1.145 -2.089 -15.779) 15.958 5.885 ( -3.118 5.949 6.448) 9.311 6.038 ( -3.196 -0.775 -2.545) 4.158 6.325 ( 16.159 -0.323 -2.777) 16.399 6.728 ( 2.101 -3.029 0.573) 3.731 6.946 ( 1.149 -8.582 -9.199) 12.632 7.245 ( -5.560 -1.145 0.913) 5.750 7.561 ( 5.339 -3.790 -8.370) 10.627 7.872 ( 1.561 -3.326 1.323) 3.905 8.628 ( 2.038 -4.737 0.446) 5.176 8.694 ( -1.155 -5.286 0.751) 5.462 8.768 ( 0.431 -4.245 2.555) 4.974 8.804 ( -1.803 -2.121 0.023) 2.784 8.889 ( 1.892 -0.218 -0.066) 1.906 8.958 ( -0.412 2.661 -0.298) 2.709 9.078 ( -3.262 -4.003 1.150) 5.290 9.142 ( -2.064 -2.070 2.971) 4.168 9.290 ( 5.870 -2.147 2.222) 6.634 9.534 ( -4.560 -4.559 5.145) 8.249 9.900 ( 9.998 -3.980 -7.574) 13.159 10.097 ( 0.348 -5.130 -4.526) 6.850 10.303 ( -1.248 -16.488 9.290) 18.966 10.535 ( -2.488 -5.514 1.489) 6.230 10.710 ( -1.072 9.480 0.985) 9.591 10.784 ( -3.874 10.589 0.360) 11.281 10.825 ( -1.629 13.969 2.673) 14.315 10.872 ( -4.401 10.950 8.584) 14.593 11.560 ( 14.020 -0.873 -8.616) 16.479 11.945 ( 0.032 -3.410 -11.290) 11.794 16.900 ( 0.041 3.301 0.273) 3.313 16.905 ( -0.204 3.514 0.414) 3.544 16.953 ( 1.617 6.358 -0.630) 6.590 17.170 ( -10.854 19.417 -9.911) 24.352 17.943 ( 2.225 -0.286 0.268) 2.260 18.044 ( 1.190 -0.704 -2.767) 3.094 18.138 ( 3.452 -2.197 -4.386) 5.998 18.229 ( -0.326 -2.413 -2.435) 3.444 31.632 ( -0.193 -0.860 -0.952) 1.297 31.655 ( -0.967 -0.954 -0.214) 1.375 31.730 ( 1.719 -1.664 0.536) 2.452 31.768 ( -0.103 -2.060 0.213) 2.074 51.252 ( -1.926 -6.056 14.149) 15.511 51.458 ( -17.914 -14.313 38.076) 44.448 52.352 ( 14.122 -18.872 5.252) 24.149 52.879 ( -8.134 -11.508 -2.078) 14.245 ======================= Grid point 72 (27/84) ======================= q-point: (-0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -17.418 11.640 12.120) 24.203 1.319 ( 17.418 11.640 12.120) 24.203 1.661 ( -28.311 12.544 7.560) 31.875 1.661 ( 28.311 12.544 7.560) 31.875 2.581 ( -12.723 8.469 4.708) 15.992 2.581 ( 12.723 8.469 4.708) 15.992 2.906 ( -12.477 8.185 5.408) 15.872 2.906 ( 12.477 8.185 5.408) 15.872 3.209 ( -13.091 17.601 6.118) 22.773 3.209 ( 13.091 17.601 6.118) 22.773 3.416 ( -5.174 5.414 -0.267) 7.494 3.416 ( 5.174 5.414 -0.267) 7.494 3.864 ( -10.581 12.057 5.595) 16.989 3.864 ( 10.581 12.057 5.595) 16.989 4.351 ( -4.147 4.578 -7.064) 9.384 4.351 ( 4.147 4.578 -7.064) 9.384 4.661 ( -6.737 1.545 -1.404) 7.053 4.661 ( 6.737 1.545 -1.404) 7.053 4.806 ( -4.211 4.471 0.323) 6.151 4.806 ( 4.211 4.471 0.323) 6.151 4.940 ( -3.138 3.864 -6.383) 8.094 4.940 ( 3.138 3.864 -6.383) 8.094 5.314 ( -3.557 -1.693 3.020) 4.964 5.314 ( 3.557 -1.693 3.020) 4.964 5.517 ( -11.630 -1.735 -3.977) 12.414 5.517 ( 11.630 -1.735 -3.977) 12.414 5.661 ( -1.704 10.683 -1.629) 10.940 5.661 ( 1.704 10.683 -1.629) 10.940 5.969 ( -4.263 1.957 -2.349) 5.245 5.969 ( 4.263 1.957 -2.349) 5.245 6.642 ( -10.778 -2.354 -4.160) 11.790 6.642 ( 10.778 -2.354 -4.160) 11.790 7.046 ( -8.491 -5.672 1.759) 10.361 7.046 ( 8.491 -5.672 1.759) 10.361 7.772 ( -9.581 -2.463 -10.322) 14.297 7.772 ( 9.581 -2.463 -10.322) 14.297 8.672 ( -1.386 -5.424 0.938) 5.676 8.672 ( 1.386 -5.424 0.938) 5.676 8.777 ( -0.614 -3.005 1.367) 3.358 8.777 ( 0.614 -3.005 1.367) 3.358 8.933 ( -1.967 1.002 0.090) 2.209 8.933 ( 1.967 1.002 0.090) 2.209 9.067 ( -2.870 -2.059 -0.008) 3.532 9.067 ( 2.870 -2.059 -0.008) 3.532 9.444 ( -5.557 -5.172 6.585) 10.049 9.444 ( 5.557 -5.172 6.585) 10.049 10.026 ( -6.170 -8.662 0.947) 10.677 10.026 ( 6.170 -8.662 0.947) 10.677 10.409 ( -8.309 -6.091 3.665) 10.934 10.409 ( 8.309 -6.091 3.665) 10.934 10.727 ( -2.393 9.742 -0.481) 10.043 10.727 ( 2.393 9.742 -0.481) 10.043 10.806 ( -0.559 12.298 3.935) 12.924 10.806 ( 0.559 12.298 3.935) 12.924 11.834 ( -9.861 -1.952 -11.593) 15.344 11.834 ( 9.861 -1.952 -11.593) 15.344 16.902 ( -0.117 3.315 0.341) 3.335 16.902 ( 0.117 3.315 0.341) 3.335 17.013 ( -4.317 10.836 -2.252) 11.880 17.013 ( 4.317 10.836 -2.252) 11.880 18.003 ( -2.992 -0.508 0.209) 3.042 18.003 ( 2.992 -0.508 0.209) 3.042 18.207 ( -1.946 -2.541 -4.532) 5.548 18.207 ( 1.946 -2.541 -4.532) 5.548 31.637 ( -0.623 -0.752 -0.717) 1.211 31.637 ( 0.623 -0.752 -0.717) 1.211 31.758 ( -0.874 -1.910 0.659) 2.201 31.758 ( 0.874 -1.910 0.659) 2.201 51.249 ( -3.075 -6.539 23.882) 24.951 51.249 ( 3.075 -6.539 23.882) 24.951 52.644 ( -12.759 -12.600 -1.417) 17.988 52.644 ( 12.759 -12.600 -1.417) 17.988 ======================= Grid point 75 (28/84) ======================= q-point: ( 0.00 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 27.812 12.399) 30.451 1.446 ( 0.000 31.870 9.648) 33.298 2.302 ( 0.000 14.182 9.899) 17.295 2.363 ( 0.000 22.597 4.564) 23.053 2.661 ( 0.000 33.102 22.916) 40.260 2.855 ( 0.000 15.938 6.443) 17.191 2.924 ( 0.000 13.049 -5.192) 14.044 3.147 ( 0.000 4.534 -8.361) 9.511 3.256 ( 0.000 20.166 4.468) 20.655 3.477 ( 0.000 9.601 4.283) 10.513 3.697 ( 0.000 2.355 5.048) 5.570 3.893 ( 0.000 20.712 -0.939) 20.733 4.149 ( 0.000 -3.147 -13.773) 14.128 4.263 ( 0.000 12.553 -1.800) 12.681 4.422 ( 0.000 5.336 -5.688) 7.799 4.535 ( 0.000 -1.305 3.516) 3.750 4.622 ( 0.000 3.848 -2.809) 4.764 4.705 ( 0.000 3.885 -10.724) 11.407 4.867 ( 0.000 -1.355 1.180) 1.797 5.021 ( 0.000 8.793 -1.055) 8.856 5.047 ( 0.000 5.127 0.792) 5.188 5.149 ( 0.000 1.087 0.655) 1.269 5.237 ( 0.000 9.987 -4.802) 11.082 5.369 ( 0.000 1.530 9.720) 9.840 5.422 ( 0.000 0.100 -2.379) 2.382 5.689 ( 0.000 11.714 -19.306) 22.581 5.836 ( 0.000 13.279 -3.088) 13.634 5.912 ( 0.000 0.138 -2.444) 2.448 6.124 ( 0.000 5.311 10.513) 11.778 6.210 ( 0.000 19.055 9.268) 21.190 6.251 ( 0.000 19.204 9.803) 21.561 6.625 ( 0.000 0.118 0.085) 0.145 6.806 ( 0.000 -7.478 -11.852) 14.014 7.212 ( 0.000 -1.172 -10.888) 10.951 7.560 ( 0.000 -1.568 7.659) 7.818 7.658 ( 0.000 -5.902 10.635) 12.163 8.488 ( 0.000 -7.993 -2.646) 8.419 8.601 ( 0.000 -6.170 0.034) 6.170 8.625 ( 0.000 -6.939 3.001) 7.560 8.749 ( 0.000 -6.498 -0.442) 6.513 8.840 ( 0.000 -3.415 1.789) 3.855 8.929 ( 0.000 -5.389 2.823) 6.084 9.023 ( 0.000 -6.476 0.787) 6.524 9.047 ( 0.000 0.699 4.105) 4.164 9.209 ( 0.000 -7.598 -0.689) 7.629 9.528 ( 0.000 -7.573 -3.562) 8.369 9.684 ( 0.000 -6.392 -4.665) 7.913 9.931 ( 0.000 -15.021 7.765) 16.909 10.070 ( 0.000 2.432 -10.494) 10.772 10.412 ( 0.000 -7.589 -3.925) 8.543 10.995 ( 0.000 13.621 0.387) 13.627 11.009 ( 0.000 8.162 -0.797) 8.201 11.138 ( 0.000 8.085 4.283) 9.149 11.248 ( 0.000 16.867 0.367) 16.871 11.316 ( 0.000 3.304 3.116) 4.541 11.877 ( 0.000 -2.003 -1.840) 2.720 16.992 ( 0.000 5.642 0.762) 5.693 17.011 ( 0.000 6.075 0.742) 6.121 17.059 ( 0.000 6.992 -0.677) 7.025 17.673 ( 0.000 6.141 -20.415) 21.318 17.917 ( 0.000 0.087 -0.683) 0.688 17.926 ( 0.000 -0.478 -0.157) 0.504 18.089 ( 0.000 -1.946 0.272) 1.965 18.168 ( 0.000 -3.696 -1.325) 3.926 31.613 ( 0.000 -1.004 -1.363) 1.693 31.650 ( 0.000 -1.209 -0.326) 1.252 31.674 ( 0.000 -1.347 -0.238) 1.368 31.716 ( 0.000 -2.845 -0.411) 2.875 51.083 ( 0.000 -11.773 14.863) 18.960 51.366 ( 0.000 -15.998 32.499) 36.223 51.763 ( 0.000 -11.909 -2.252) 12.120 52.658 ( 0.000 -19.023 -3.218) 19.294 ======================= Grid point 76 (29/84) ======================= q-point: ( 0.25 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 6.295 25.908 11.377) 28.988 1.520 ( 11.020 25.342 8.184) 28.821 1.996 ( -16.912 17.558 7.838) 25.607 2.509 ( -13.013 14.065 -4.029) 19.581 2.677 ( -0.328 22.752 8.532) 24.301 2.805 ( -0.424 10.788 10.350) 14.956 2.942 ( 14.082 28.867 20.938) 38.341 3.118 ( 3.415 11.449 -8.607) 14.725 3.324 ( 8.635 7.659 -3.603) 12.091 3.633 ( -5.136 8.354 1.256) 9.886 3.694 ( -0.508 16.585 -5.680) 17.538 3.861 ( 8.046 14.469 3.209) 16.863 4.056 ( -14.084 10.442 0.463) 17.539 4.244 ( -3.062 9.741 2.670) 10.554 4.378 ( 3.122 6.396 -5.923) 9.260 4.529 ( -1.934 3.012 -6.150) 7.116 4.598 ( 0.100 2.949 -0.969) 3.106 4.759 ( 4.595 2.458 -1.055) 5.317 4.842 ( -3.707 1.531 -3.769) 5.503 4.986 ( -2.833 4.836 -5.489) 7.845 5.088 ( 2.766 5.572 -1.613) 6.427 5.149 ( -0.897 10.289 1.444) 10.429 5.217 ( -0.517 5.773 4.577) 7.385 5.311 ( -2.856 2.833 6.968) 8.046 5.409 ( -0.635 -2.454 -2.153) 3.326 5.703 ( -3.595 -2.296 -11.893) 12.635 5.784 ( -1.233 14.331 -5.562) 15.422 5.878 ( -2.157 1.619 -4.879) 5.575 6.124 ( 0.305 14.357 7.842) 16.362 6.186 ( -1.512 18.149 7.467) 19.683 6.379 ( 10.649 7.059 3.283) 13.192 6.675 ( 2.192 -0.658 2.072) 3.088 6.794 ( 1.118 -5.546 -5.506) 7.895 7.229 ( -10.232 -0.073 3.973) 10.976 7.464 ( 8.994 -5.383 -9.540) 14.173 7.807 ( 3.157 -2.079 2.395) 4.475 8.493 ( 1.350 -8.590 -1.035) 8.756 8.586 ( -1.382 -5.556 1.516) 5.922 8.643 ( 1.406 -7.325 1.633) 7.635 8.725 ( -1.960 -5.967 -0.021) 6.280 8.842 ( 1.253 -4.471 2.667) 5.355 8.970 ( -3.330 -5.974 1.852) 7.086 8.985 ( 1.928 -1.305 -1.267) 2.650 9.079 ( 1.557 -2.420 3.533) 4.557 9.208 ( 1.813 -5.975 0.235) 6.248 9.417 ( -5.957 -6.947 2.963) 9.619 9.738 ( 2.517 -10.045 -3.647) 10.979 9.950 ( -2.911 -16.245 4.646) 17.145 10.125 ( 7.273 2.855 -5.421) 9.510 10.400 ( -1.943 -7.591 -2.403) 8.196 10.908 ( -3.223 8.164 -4.648) 9.931 11.015 ( -2.139 11.304 -2.174) 11.708 11.083 ( -2.316 11.315 5.260) 12.691 11.144 ( -3.386 16.673 5.685) 17.939 11.567 ( 13.075 2.332 -2.620) 13.537 11.883 ( -0.677 -2.757 -3.540) 4.538 16.991 ( -0.002 5.593 0.736) 5.642 17.001 ( -0.533 5.740 0.799) 5.820 17.107 ( 4.010 8.159 -1.385) 9.196 17.466 ( -12.568 9.773 -10.393) 19.013 17.935 ( 1.956 -0.521 0.178) 2.032 18.024 ( 1.704 -1.342 -2.853) 3.584 18.085 ( 1.657 -2.871 -1.961) 3.851 18.166 ( -0.366 -3.666 -1.960) 4.173 31.613 ( 0.099 -0.898 -1.214) 1.514 31.635 ( -0.854 -1.038 -0.408) 1.405 31.693 ( 1.115 -1.913 -0.049) 2.215 31.717 ( 0.019 -2.787 -0.246) 2.798 51.075 ( -0.359 -10.333 15.828) 18.905 51.211 ( -8.164 -9.753 23.136) 26.402 52.001 ( 15.577 -16.706 0.433) 22.846 52.568 ( -8.079 -18.753 -3.094) 20.652 ======================= Grid point 77 (30/84) ======================= q-point: (-0.50 0.15 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -12.416 21.692 7.909) 26.215 1.661 ( 12.416 21.692 7.909) 26.215 1.952 ( -26.177 16.446 4.132) 31.189 1.952 ( 26.177 16.446 4.132) 31.189 2.785 ( -4.000 11.480 9.167) 15.226 2.785 ( 4.000 11.480 9.167) 15.226 3.190 ( -4.360 16.131 -3.781) 17.132 3.190 ( 4.360 16.131 -3.781) 17.132 3.540 ( -8.677 14.196 2.850) 16.880 3.540 ( 8.677 14.196 2.850) 16.880 3.662 ( -9.661 20.219 -0.570) 22.416 3.662 ( 9.661 20.219 -0.570) 22.416 4.116 ( -9.282 10.902 4.806) 15.104 4.116 ( 9.282 10.902 4.806) 15.104 4.468 ( -3.558 7.583 -5.725) 10.146 4.468 ( 3.558 7.583 -5.725) 10.146 4.684 ( -6.983 -0.183 1.581) 7.163 4.684 ( 6.983 -0.183 1.581) 7.163 4.904 ( -5.821 7.126 -4.810) 10.383 4.904 ( 5.821 7.126 -4.810) 10.383 5.085 ( -1.128 7.145 0.093) 7.234 5.085 ( 1.128 7.145 0.093) 7.234 5.297 ( -2.567 0.730 1.692) 3.159 5.297 ( 2.567 0.730 1.692) 3.159 5.485 ( -10.573 -0.524 -0.505) 10.598 5.485 ( 10.573 -0.524 -0.505) 10.598 5.831 ( -2.479 4.639 -8.445) 9.949 5.831 ( 2.479 4.639 -8.445) 9.949 6.149 ( -1.785 16.291 7.050) 17.841 6.149 ( 1.785 16.291 7.050) 17.841 6.611 ( -7.963 0.549 -2.857) 8.478 6.611 ( 7.963 0.549 -2.857) 8.478 6.945 ( -12.059 -3.345 5.799) 13.792 6.945 ( 12.059 -3.345 5.799) 13.792 7.722 ( -10.117 -1.993 -10.109) 14.440 7.722 ( 10.117 -1.993 -10.109) 14.440 8.544 ( -2.489 -7.233 1.553) 7.805 8.544 ( 2.489 -7.233 1.553) 7.805 8.680 ( -1.987 -6.432 1.082) 6.819 8.680 ( 1.987 -6.432 1.082) 6.819 8.892 ( -3.141 -4.973 2.762) 6.499 8.892 ( 3.141 -4.973 2.762) 6.499 9.041 ( -3.229 -0.729 -2.089) 3.914 9.041 ( 3.229 -0.729 -2.089) 3.914 9.308 ( -5.190 -7.882 5.570) 10.958 9.308 ( 5.190 -7.882 5.570) 10.958 9.826 ( -6.189 -11.055 1.325) 12.738 9.826 ( 6.189 -11.055 1.325) 12.738 10.301 ( -7.074 -4.919 -1.291) 8.712 10.301 ( 7.074 -4.919 -1.291) 8.712 10.925 ( -4.128 8.720 -5.064) 10.896 10.925 ( 4.128 8.720 -5.064) 10.896 11.087 ( -1.796 15.765 5.237) 16.709 11.087 ( 1.796 15.765 5.237) 16.709 11.799 ( -7.539 -1.301 -4.578) 8.916 11.799 ( 7.539 -1.301 -4.578) 8.916 16.993 ( -0.191 5.571 0.786) 5.630 16.993 ( 0.191 5.571 0.786) 5.630 17.236 ( -8.203 10.106 -4.028) 13.625 17.236 ( 8.203 10.106 -4.028) 13.625 17.989 ( -2.707 -0.934 0.103) 2.866 17.989 ( 2.707 -0.934 0.103) 2.866 18.143 ( -1.976 -3.665 -3.395) 5.372 18.143 ( 1.976 -3.665 -3.395) 5.372 31.620 ( -0.515 -0.896 -0.747) 1.275 31.620 ( 0.515 -0.896 -0.747) 1.275 31.712 ( -0.565 -2.495 -0.015) 2.558 31.712 ( 0.565 -2.495 -0.015) 2.558 51.094 ( -2.713 -8.266 17.722) 19.742 51.094 ( 2.713 -8.266 17.722) 19.742 52.327 ( -13.667 -18.197 -1.991) 22.844 52.327 ( 13.667 -18.197 -1.991) 22.844 ======================= Grid point 80 (31/84) ======================= q-point: ( 0.00 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.000 29.895 6.075) 30.506 2.093 ( 0.000 32.356 4.952) 32.733 2.664 ( 0.000 21.146 1.738) 21.217 2.714 ( 0.000 16.208 0.272) 16.211 3.125 ( 0.000 8.426 9.980) 13.061 3.161 ( 0.000 15.393 -3.538) 15.794 3.276 ( 0.000 10.720 -10.472) 14.986 3.363 ( 0.000 21.291 9.955) 23.503 3.613 ( 0.000 16.243 0.940) 16.270 3.652 ( 0.000 7.892 1.897) 8.117 3.902 ( 0.000 20.506 11.625) 23.572 4.084 ( 0.000 -1.724 -10.504) 10.644 4.222 ( 0.000 10.694 2.512) 10.985 4.463 ( 0.000 6.748 -5.324) 8.595 4.471 ( 0.000 -5.223 6.474) 8.318 4.599 ( 0.000 11.186 -4.186) 11.944 4.720 ( 0.000 3.570 -0.614) 3.622 4.757 ( 0.000 2.742 -6.454) 7.012 4.873 ( 0.000 5.281 -0.111) 5.282 5.078 ( 0.000 -5.431 -3.307) 6.359 5.139 ( 0.000 2.798 -0.728) 2.891 5.150 ( 0.000 4.328 -2.885) 5.201 5.420 ( 0.000 3.929 8.621) 9.474 5.466 ( 0.000 11.905 -6.452) 13.541 5.555 ( 0.000 7.107 3.097) 7.753 5.725 ( 0.000 -1.849 -14.188) 14.308 5.924 ( 0.000 2.674 1.866) 3.260 6.156 ( 0.000 8.882 2.234) 9.158 6.285 ( 0.000 9.318 6.927) 11.611 6.447 ( 0.000 0.094 7.238) 7.239 6.640 ( 0.000 17.782 12.691) 21.847 6.691 ( 0.000 5.964 -8.976) 10.777 6.927 ( 0.000 24.428 2.444) 24.550 7.161 ( 0.000 -3.135 -8.695) 9.243 7.586 ( 0.000 1.206 9.685) 9.760 7.634 ( 0.000 10.036 6.736) 12.087 8.295 ( 0.000 -10.732 -2.055) 10.927 8.480 ( 0.000 -5.769 -1.133) 5.879 8.489 ( 0.000 -6.732 1.231) 6.844 8.580 ( 0.000 -9.811 0.022) 9.811 8.748 ( 0.000 -4.994 1.840) 5.322 8.830 ( 0.000 -3.785 -0.881) 3.887 8.912 ( 0.000 -4.072 0.783) 4.147 9.042 ( 0.000 -3.631 -0.610) 3.682 9.072 ( 0.000 -3.596 2.672) 4.480 9.342 ( 0.000 -10.403 -1.050) 10.455 9.500 ( 0.000 -10.391 -3.242) 10.885 9.600 ( 0.000 -15.980 2.657) 16.199 10.199 ( 0.000 6.748 -11.559) 13.385 10.267 ( 0.000 -6.546 -7.656) 10.073 11.036 ( 0.000 -7.189 -6.791) 9.890 11.129 ( 0.000 3.004 -9.288) 9.761 11.358 ( 0.000 14.898 6.416) 16.221 11.536 ( 0.000 13.765 8.504) 16.180 11.556 ( 0.000 13.680 4.159) 14.298 11.837 ( 0.000 -1.616 3.381) 3.747 17.116 ( 0.000 6.543 1.117) 6.638 17.138 ( 0.000 6.319 1.066) 6.409 17.196 ( 0.000 6.325 -0.725) 6.366 17.718 ( 0.000 -0.427 -10.594) 10.602 17.916 ( 0.000 -0.570 -0.139) 0.587 17.918 ( 0.000 -0.139 -1.381) 1.388 18.047 ( 0.000 -2.132 -0.069) 2.133 18.091 ( 0.000 -3.760 -0.956) 3.879 31.598 ( 0.000 -0.523 -1.222) 1.329 31.627 ( 0.000 -0.997 -0.300) 1.041 31.648 ( 0.000 -1.254 -0.190) 1.268 31.663 ( 0.000 -2.270 -0.367) 2.299 50.886 ( 0.000 -7.480 10.566) 12.946 51.130 ( 0.000 -9.575 17.158) 19.649 51.498 ( 0.000 -14.043 -2.869) 14.333 52.243 ( 0.000 -21.782 -4.244) 22.192 ======================= Grid point 81 (32/84) ======================= q-point: ( 0.25 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.568 28.111 5.772) 29.059 2.072 ( 1.760 28.779 4.461) 29.176 2.413 ( -12.971 23.282 3.211) 26.844 2.793 ( -14.058 14.486 -5.718) 20.980 3.023 ( -1.887 13.834 6.202) 15.277 3.058 ( -6.663 15.126 9.764) 19.197 3.327 ( 5.219 8.090 -11.927) 15.328 3.412 ( 6.452 11.461 1.651) 13.255 3.562 ( 12.944 14.007 4.496) 19.595 3.901 ( -0.214 18.785 3.407) 19.093 3.977 ( -1.703 14.700 -4.052) 15.343 4.102 ( 11.151 11.375 -0.337) 15.933 4.286 ( 0.461 7.891 0.194) 7.906 4.370 ( -1.621 2.469 5.462) 6.209 4.526 ( -3.578 8.211 -0.919) 9.004 4.590 ( 3.690 1.826 1.514) 4.387 4.705 ( -0.371 9.480 -8.774) 12.923 4.770 ( 1.706 0.216 4.602) 4.913 4.895 ( 2.700 3.777 -3.670) 5.918 5.062 ( -3.621 0.540 -4.269) 5.624 5.114 ( 1.221 -2.000 1.541) 2.804 5.263 ( 7.677 6.709 -3.451) 10.764 5.345 ( -9.500 0.513 -3.300) 10.070 5.425 ( -1.067 5.550 2.141) 6.043 5.496 ( -4.049 12.421 1.620) 13.165 5.679 ( -3.404 1.028 -0.983) 3.689 5.867 ( -2.583 0.522 -0.613) 2.705 6.035 ( -8.069 6.306 -0.839) 10.275 6.359 ( 3.058 6.179 3.705) 7.827 6.507 ( 0.706 9.377 7.015) 11.732 6.555 ( 3.176 8.931 3.509) 10.108 6.810 ( 5.134 10.653 3.384) 12.300 6.859 ( -4.399 18.126 -0.083) 18.653 7.255 ( -15.496 3.502 8.070) 17.819 7.386 ( 15.838 -0.042 -9.105) 18.269 7.847 ( 3.658 7.590 1.110) 8.499 8.301 ( 2.255 -10.083 -0.075) 10.332 8.467 ( -1.805 -6.271 0.960) 6.596 8.494 ( 0.833 -7.309 -0.228) 7.360 8.566 ( -1.342 -9.387 0.173) 9.484 8.748 ( 1.029 -4.088 1.953) 4.646 8.865 ( -3.165 -3.809 1.753) 5.253 8.910 ( 4.905 -4.619 -1.375) 6.876 9.044 ( -0.592 -3.265 -1.569) 3.670 9.087 ( 1.788 -4.348 3.184) 5.678 9.263 ( -5.217 -8.052 1.485) 9.708 9.529 ( 2.114 -10.845 -2.635) 11.359 9.623 ( 0.600 -15.553 1.141) 15.607 10.193 ( -0.146 2.855 -6.562) 7.158 10.254 ( -1.402 -6.622 -5.659) 8.823 10.991 ( -0.507 -0.446 -10.190) 10.213 11.135 ( -2.058 1.852 -9.648) 10.037 11.369 ( 1.064 15.239 5.656) 16.289 11.469 ( -3.230 15.237 6.128) 16.738 11.665 ( 6.616 7.057 5.055) 10.915 11.839 ( -0.391 -1.372 3.288) 3.584 17.114 ( -0.109 6.428 1.020) 6.509 17.123 ( -0.675 6.299 1.241) 6.456 17.256 ( 4.819 6.436 -1.464) 8.172 17.586 ( -9.030 3.036 -6.971) 11.805 17.923 ( 1.543 -0.645 0.075) 1.675 17.992 ( 2.445 -1.809 -2.571) 3.983 18.030 ( -0.413 -2.545 -0.416) 2.612 18.091 ( -0.330 -3.680 -1.455) 3.971 31.598 ( 0.106 -0.547 -0.948) 1.100 31.616 ( -0.660 -0.776 -0.327) 1.070 31.657 ( 0.562 -1.603 -0.200) 1.711 31.666 ( 0.139 -2.240 -0.362) 2.273 50.896 ( 1.035 -7.160 10.756) 12.962 51.037 ( -5.701 -7.926 13.715) 16.835 51.669 ( 12.339 -16.567 -1.426) 20.706 52.162 ( -7.284 -21.194 -3.890) 22.746 ======================= Grid point 82 (33/84) ======================= q-point: (-0.50 0.23 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -8.366 26.491 3.885) 28.051 2.150 ( 8.366 26.491 3.885) 28.051 2.315 ( -18.605 19.395 1.779) 26.935 2.315 ( 18.605 19.395 1.779) 26.935 3.042 ( -1.734 14.182 7.907) 16.329 3.042 ( 1.734 14.182 7.907) 16.329 3.445 ( -4.133 9.588 -7.477) 12.842 3.445 ( 4.133 9.588 -7.477) 12.842 3.781 ( -7.544 10.098 -5.619) 13.801 3.781 ( 7.544 10.098 -5.619) 13.801 4.149 ( -11.132 24.671 7.480) 28.081 4.149 ( 11.132 24.671 7.480) 28.081 4.263 ( -7.049 4.869 1.874) 8.770 4.263 ( 7.049 4.869 1.874) 8.770 4.583 ( -6.064 0.634 -1.325) 6.240 4.583 ( 6.064 0.634 -1.325) 6.240 4.738 ( -5.792 8.005 -0.655) 9.902 4.738 ( 5.792 8.005 -0.655) 9.902 5.023 ( -5.605 2.434 -3.449) 7.017 5.023 ( 5.605 2.434 -3.449) 7.017 5.141 ( -6.412 -0.568 0.426) 6.451 5.141 ( 6.412 -0.568 0.426) 6.451 5.365 ( -3.584 5.409 -0.444) 6.504 5.365 ( 3.584 5.409 -0.444) 6.504 5.554 ( -7.898 8.468 3.582) 12.121 5.554 ( 7.898 8.468 3.582) 12.121 5.884 ( -4.421 0.667 -3.917) 5.944 5.884 ( 4.421 0.667 -3.917) 5.944 6.431 ( -4.009 7.385 6.116) 10.393 6.431 ( 4.009 7.385 6.116) 10.393 6.739 ( -7.658 12.945 -1.525) 15.118 6.739 ( 7.658 12.945 -1.525) 15.118 6.957 ( -10.335 5.495 8.207) 14.295 6.957 ( 10.335 5.495 8.207) 14.295 7.727 ( -12.887 3.758 -8.774) 16.037 7.727 ( 12.887 3.758 -8.774) 16.037 8.397 ( -4.684 -6.872 2.148) 8.590 8.397 ( 4.684 -6.872 2.148) 8.590 8.526 ( -2.038 -8.748 0.505) 8.996 8.526 ( 2.038 -8.748 0.505) 8.996 8.794 ( -2.969 -3.636 2.327) 5.239 8.794 ( 2.969 -3.636 2.327) 5.239 9.000 ( -3.211 -3.657 -2.645) 5.539 9.000 ( 3.211 -3.657 -2.645) 5.539 9.159 ( -4.358 -6.243 3.959) 8.581 9.159 ( 4.358 -6.243 3.959) 8.581 9.590 ( -3.137 -12.260 -0.562) 12.667 9.590 ( 3.137 -12.260 -0.562) 12.667 10.212 ( -1.883 -3.999 -3.158) 5.432 10.212 ( 1.883 -3.999 -3.158) 5.432 11.047 ( -4.747 2.869 -11.622) 12.877 11.047 ( 4.747 2.869 -11.622) 12.877 11.406 ( -2.397 15.393 5.495) 16.519 11.406 ( 2.397 15.393 5.495) 16.519 11.792 ( -4.233 0.913 3.546) 5.597 11.792 ( 4.233 0.913 3.546) 5.597 17.114 ( -0.198 6.330 1.167) 6.440 17.114 ( 0.198 6.330 1.167) 6.440 17.395 ( -7.947 5.797 -3.587) 10.471 17.395 ( 7.947 5.797 -3.587) 10.471 17.967 ( -2.281 -1.179 0.007) 2.567 17.967 ( 2.281 -1.179 0.007) 2.567 18.069 ( -1.795 -3.563 -2.316) 4.613 18.069 ( 1.795 -3.563 -2.316) 4.613 31.604 ( -0.427 -0.615 -0.523) 0.913 31.604 ( 0.427 -0.615 -0.523) 0.913 31.666 ( -0.185 -2.024 -0.278) 2.052 31.666 ( 0.185 -2.024 -0.278) 2.052 50.939 ( -3.157 -6.923 11.578) 13.855 50.939 ( 3.157 -6.923 11.578) 13.855 51.945 ( -12.134 -19.471 -2.697) 23.100 51.945 ( 12.134 -19.471 -2.697) 23.100 ======================= Grid point 85 (34/84) ======================= q-point: ( 0.00 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 0.000 29.330 2.021) 29.400 2.714 ( 0.000 28.941 0.199) 28.942 3.011 ( 0.000 12.671 -2.693) 12.954 3.103 ( 0.000 21.061 -5.110) 21.672 3.205 ( 0.000 2.626 0.906) 2.778 3.443 ( 0.000 12.063 -0.786) 12.089 3.560 ( 0.000 15.223 3.530) 15.627 3.618 ( 0.000 10.457 3.664) 11.080 3.766 ( 0.000 -2.215 -0.254) 2.229 3.792 ( 0.000 5.888 1.791) 6.154 4.156 ( 0.000 7.899 -3.633) 8.694 4.348 ( 0.000 3.617 3.212) 4.838 4.387 ( 0.000 2.963 5.883) 6.587 4.459 ( 0.000 26.165 9.045) 27.684 4.526 ( 0.000 0.139 -6.234) 6.236 4.715 ( 0.000 -1.473 1.938) 2.434 4.820 ( 0.000 8.844 -0.639) 8.868 4.826 ( 0.000 3.623 -2.382) 4.336 4.971 ( 0.000 -4.511 -2.328) 5.076 5.059 ( 0.000 6.058 -9.845) 11.559 5.169 ( 0.000 4.784 4.670) 6.686 5.205 ( 0.000 0.967 -3.647) 3.773 5.503 ( 0.000 3.433 1.399) 3.707 5.535 ( 0.000 -3.663 -1.233) 3.865 5.693 ( 0.000 -1.108 -3.861) 4.017 5.740 ( 0.000 10.327 -2.972) 10.746 5.997 ( 0.000 1.742 4.551) 4.873 6.160 ( 0.000 -4.233 12.991) 13.663 6.373 ( 0.000 -4.140 1.198) 4.310 6.414 ( 0.000 2.258 5.120) 5.596 6.807 ( 0.000 -2.016 -5.683) 6.030 6.899 ( 0.000 6.588 13.763) 15.259 7.181 ( 0.000 7.535 -4.871) 8.972 7.441 ( 0.000 25.814 4.191) 26.152 7.807 ( 0.000 17.637 0.906) 17.660 7.937 ( 0.000 16.780 2.277) 16.934 8.103 ( 0.000 -5.367 -1.045) 5.468 8.359 ( 0.000 -6.095 -0.361) 6.106 8.375 ( 0.000 -4.917 -1.324) 5.092 8.394 ( 0.000 -6.913 -0.489) 6.930 8.676 ( 0.000 -1.080 1.149) 1.576 8.799 ( 0.000 1.401 -3.324) 3.607 8.878 ( 0.000 0.948 0.806) 1.244 8.956 ( 0.000 -2.355 -0.166) 2.361 9.032 ( 0.000 -2.397 1.296) 2.725 9.152 ( 0.000 -7.557 -0.526) 7.576 9.278 ( 0.000 -11.643 -2.436) 11.895 9.334 ( 0.000 -10.159 -0.578) 10.175 10.157 ( 0.000 -4.324 -7.775) 8.896 10.292 ( 0.000 1.929 -12.730) 12.875 10.836 ( 0.000 -12.398 -3.229) 12.812 11.103 ( 0.000 -5.804 -12.455) 13.741 11.632 ( 0.000 11.788 4.873) 12.755 11.778 ( 0.000 6.881 8.890) 11.241 11.789 ( 0.000 11.074 6.260) 12.721 11.842 ( 0.000 3.913 3.644) 5.347 17.243 ( 0.000 5.838 0.714) 5.882 17.256 ( 0.000 5.557 1.614) 5.787 17.303 ( 0.000 4.332 -0.439) 4.354 17.684 ( 0.000 -2.555 -5.648) 6.199 17.904 ( 0.000 -0.526 -0.134) 0.543 17.911 ( 0.000 -0.501 -0.996) 1.115 18.006 ( 0.000 -1.983 -0.364) 2.016 18.023 ( 0.000 -3.009 -0.659) 3.080 31.591 ( 0.000 -0.126 -0.438) 0.455 31.612 ( 0.000 -0.509 -0.124) 0.524 31.626 ( 0.000 -0.845 -0.086) 0.849 31.628 ( 0.000 -1.284 -0.030) 1.284 50.782 ( 0.000 -3.123 4.362) 5.365 50.965 ( 0.000 -6.795 11.390) 13.263 51.221 ( 0.000 -13.249 -2.879) 13.558 51.813 ( 0.000 -20.761 -4.338) 21.210 ======================= Grid point 86 (35/84) ======================= q-point: ( 0.25 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.875 26.625 0.745) 26.650 2.636 ( -1.926 27.125 2.923) 27.350 2.884 ( -8.310 22.688 -1.623) 24.216 3.053 ( -16.393 9.917 -6.043) 20.090 3.279 ( 3.933 11.795 4.335) 13.168 3.353 ( -2.846 13.970 6.537) 15.684 3.467 ( 4.155 8.150 -7.720) 11.970 3.619 ( 3.616 8.626 -1.050) 9.412 3.744 ( 6.157 7.148 5.596) 10.969 4.078 ( -0.745 7.249 -5.789) 9.307 4.243 ( 9.123 -2.661 -1.192) 9.577 4.343 ( -2.998 6.172 0.173) 6.864 4.387 ( 3.017 0.384 4.104) 5.108 4.464 ( 2.754 14.834 5.235) 15.969 4.597 ( 2.562 8.166 1.746) 8.735 4.752 ( -1.404 8.240 5.097) 9.790 4.821 ( 4.256 5.213 -0.371) 6.740 4.831 ( 2.750 2.115 -4.273) 5.504 4.944 ( 0.840 -0.064 -1.818) 2.003 5.018 ( -4.830 -3.346 -4.040) 7.131 5.153 ( 1.714 7.766 0.766) 7.990 5.314 ( -9.476 -1.495 -2.650) 9.952 5.403 ( 4.679 3.325 -6.366) 8.572 5.517 ( -1.304 1.084 -1.106) 2.024 5.603 ( 0.010 2.934 3.822) 4.818 5.794 ( 1.468 7.537 1.312) 7.790 5.936 ( -4.996 4.672 3.547) 7.705 6.055 ( -7.657 -1.438 8.133) 11.262 6.369 ( 1.937 -2.306 2.721) 4.058 6.606 ( 0.777 -0.080 3.151) 3.247 6.684 ( 3.906 0.609 3.131) 5.043 6.979 ( 1.894 2.102 6.412) 7.008 7.168 ( -0.642 12.187 -0.943) 12.241 7.485 ( -17.062 20.120 2.257) 26.477 7.592 ( 12.442 19.129 -1.281) 22.855 8.059 ( -4.110 2.231 -3.239) 5.688 8.165 ( 9.334 5.121 1.046) 10.698 8.346 ( -1.115 -5.511 -0.650) 5.660 8.360 ( -1.299 -5.487 -1.122) 5.750 8.388 ( -0.822 -6.776 -0.080) 6.827 8.704 ( 2.540 0.472 1.201) 2.849 8.835 ( -1.292 0.552 0.323) 1.442 8.854 ( 2.387 0.665 -1.781) 3.051 8.966 ( -0.161 -2.261 -1.141) 2.537 9.031 ( 0.465 -2.713 1.640) 3.204 9.120 ( -2.473 -5.592 0.199) 6.118 9.310 ( 2.413 -10.738 -2.371) 11.258 9.355 ( 1.186 -10.883 -1.348) 11.030 10.139 ( -1.245 -4.656 -5.738) 7.493 10.215 ( -5.266 -1.088 -5.496) 7.689 10.898 ( 5.033 -8.290 -10.654) 14.407 11.096 ( -1.481 -6.116 -13.238) 14.657 11.645 ( 1.097 11.813 4.413) 12.658 11.728 ( -2.613 9.878 6.844) 12.298 11.818 ( 1.123 7.518 7.767) 10.867 11.847 ( 0.284 2.889 5.471) 6.193 17.237 ( -0.288 5.541 0.811) 5.608 17.246 ( -0.480 5.992 1.615) 6.224 17.358 ( 4.261 3.786 -1.013) 5.790 17.609 ( -5.784 -0.389 -4.284) 7.208 17.910 ( 1.098 -0.589 -0.016) 1.247 17.955 ( 2.343 -1.771 -1.603) 3.346 17.985 ( -1.339 -1.936 -0.141) 2.358 18.024 ( -0.304 -2.969 -1.031) 3.158 31.592 ( 0.068 -0.135 -0.301) 0.337 31.605 ( -0.464 -0.359 -0.083) 0.592 31.630 ( 0.205 -1.247 -0.108) 1.269 31.631 ( 0.227 -1.069 -0.086) 1.096 50.791 ( 0.949 -3.358 5.036) 6.127 50.900 ( -4.031 -5.462 8.970) 11.249 51.348 ( 9.417 -15.170 -1.876) 17.954 51.745 ( -6.087 -20.068 -3.951) 21.340 ======================= Grid point 87 (36/84) ======================= q-point: (-0.50 0.31 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -9.566 20.767 -0.801) 22.878 2.667 ( 9.566 20.767 -0.801) 22.878 2.719 ( -6.532 23.957 2.060) 24.917 2.719 ( 6.532 23.957 2.060) 24.917 3.340 ( -1.968 15.159 4.748) 16.007 3.340 ( 1.968 15.159 4.748) 16.007 3.595 ( -5.129 5.998 -8.071) 11.288 3.595 ( 5.129 5.998 -8.071) 11.288 3.948 ( -10.370 4.923 1.630) 11.594 3.948 ( 10.370 4.923 1.630) 11.594 4.295 ( -0.718 3.465 -1.772) 3.957 4.295 ( 0.718 3.465 -1.772) 3.957 4.539 ( -6.748 -2.526 0.055) 7.206 4.539 ( 6.748 -2.526 0.055) 7.206 4.599 ( -7.226 14.187 6.815) 17.319 4.599 ( 7.226 14.187 6.815) 17.319 4.877 ( -3.569 3.339 -2.993) 5.731 4.877 ( 3.569 3.339 -2.993) 5.731 5.040 ( -8.712 1.362 -2.064) 9.056 5.040 ( 8.712 1.362 -2.064) 9.056 5.127 ( -8.528 0.912 1.193) 8.659 5.127 ( 8.528 0.912 1.193) 8.659 5.464 ( -1.660 3.639 -2.920) 4.952 5.464 ( 1.660 3.639 -2.920) 4.952 5.769 ( -8.602 10.389 3.504) 13.936 5.769 ( 8.602 10.389 3.504) 13.936 5.877 ( -4.208 -0.139 2.903) 5.114 5.877 ( 4.208 -0.139 2.903) 5.114 6.460 ( -6.367 -2.406 4.894) 8.383 6.460 ( 6.367 -2.406 4.894) 8.383 6.920 ( -8.570 0.578 3.252) 9.184 6.920 ( 8.570 0.578 3.252) 9.184 7.205 ( -6.390 19.257 2.508) 20.444 7.205 ( 6.390 19.257 2.508) 20.444 7.884 ( -12.119 9.629 -5.311) 16.364 7.884 ( 12.119 9.629 -5.311) 16.364 8.303 ( -3.519 -2.112 -0.233) 4.110 8.303 ( 3.519 -2.112 -0.233) 4.110 8.355 ( -1.302 -6.804 0.162) 6.929 8.355 ( 1.302 -6.804 0.162) 6.929 8.772 ( -3.335 1.744 1.339) 3.995 8.772 ( 3.335 1.744 1.339) 3.995 8.930 ( -2.968 -1.776 -2.174) 4.085 8.930 ( 2.968 -1.776 -2.174) 4.085 9.064 ( -2.377 -3.444 1.512) 4.449 9.064 ( 2.377 -3.444 1.512) 4.449 9.356 ( -1.336 -10.596 -2.132) 10.890 9.356 ( 1.336 -10.596 -2.132) 10.890 10.134 ( -1.567 -3.899 -2.211) 4.748 10.134 ( 1.567 -3.899 -2.211) 4.748 11.019 ( -5.309 -5.832 -14.836) 16.802 11.019 ( 5.309 -5.832 -14.836) 16.802 11.677 ( -1.971 11.352 5.211) 12.645 11.677 ( 1.971 11.352 5.211) 12.645 11.841 ( -0.876 3.848 7.461) 8.441 11.841 ( 0.876 3.848 7.461) 8.441 17.237 ( -0.305 5.806 1.257) 5.949 17.237 ( 0.305 5.806 1.257) 5.949 17.474 ( -6.166 2.248 -2.439) 7.002 17.474 ( 6.166 2.248 -2.439) 7.002 17.944 ( -1.778 -1.118 -0.061) 2.101 17.944 ( 1.778 -1.118 -0.061) 2.101 18.004 ( -1.511 -2.853 -1.466) 3.546 18.004 ( 1.511 -2.853 -1.466) 3.546 31.596 ( -0.326 -0.202 -0.121) 0.402 31.596 ( 0.326 -0.202 -0.121) 0.402 31.633 ( -0.025 -1.226 -0.119) 1.232 31.633 ( 0.025 -1.226 -0.119) 1.232 50.827 ( -2.496 -4.019 6.778) 8.266 50.827 ( 2.496 -4.019 6.778) 8.266 51.566 ( -9.836 -18.072 -2.863) 20.774 51.566 ( 9.836 -18.072 -2.863) 20.774 ======================= Grid point 90 (37/84) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 0.000 23.898 -1.185) 23.927 3.180 ( 0.000 11.261 -2.475) 11.530 3.214 ( 0.000 8.946 -2.580) 9.311 3.239 ( 0.000 8.015 -3.959) 8.940 3.529 ( 0.000 19.132 -0.887) 19.152 3.547 ( 0.000 -4.886 2.485) 5.481 3.693 ( 0.000 4.278 0.795) 4.351 3.808 ( 0.000 5.820 6.320) 8.591 3.887 ( 0.000 5.614 0.102) 5.615 3.924 ( 0.000 15.287 6.083) 16.452 4.192 ( 0.000 -0.213 -1.800) 1.812 4.391 ( 0.000 0.749 -0.745) 1.057 4.552 ( 0.000 6.031 -0.200) 6.034 4.558 ( 0.000 4.673 0.280) 4.681 4.666 ( 0.000 -2.553 -0.698) 2.646 4.881 ( 0.000 1.927 -0.262) 1.945 4.904 ( 0.000 -0.370 -0.880) 0.954 4.906 ( 0.000 15.438 1.755) 15.537 4.975 ( 0.000 7.637 -1.784) 7.842 5.070 ( 0.000 -0.568 1.529) 1.631 5.180 ( 0.000 -2.174 0.393) 2.210 5.371 ( 0.000 10.895 -0.494) 10.906 5.434 ( 0.000 -5.723 1.600) 5.942 5.526 ( 0.000 -1.594 -3.351) 3.711 5.684 ( 0.000 0.294 2.042) 2.063 5.874 ( 0.000 0.970 -2.727) 2.894 5.952 ( 0.000 -3.169 2.559) 4.073 6.094 ( 0.000 -1.326 12.271) 12.343 6.295 ( 0.000 -4.262 -0.945) 4.366 6.393 ( 0.000 -3.282 5.167) 6.121 6.641 ( 0.000 -11.183 1.499) 11.283 6.872 ( 0.000 -8.497 10.390) 13.422 7.457 ( 0.000 17.827 -5.108) 18.544 7.894 ( 0.000 15.448 -2.752) 15.692 7.969 ( 0.000 -1.653 2.575) 3.060 8.002 ( 0.000 1.933 -0.515) 2.001 8.255 ( 0.000 -3.904 -1.441) 4.161 8.273 ( 0.000 -4.159 -2.041) 4.633 8.333 ( 0.000 12.441 -3.356) 12.886 8.398 ( 0.000 4.897 -2.245) 5.387 8.772 ( 0.000 11.909 -0.393) 11.916 8.889 ( 0.000 4.443 -5.277) 6.898 8.946 ( 0.000 5.314 2.156) 5.735 8.959 ( 0.000 -0.873 1.520) 1.753 8.990 ( 0.000 0.510 0.044) 0.512 9.078 ( 0.000 -7.367 -1.636) 7.546 9.101 ( 0.000 6.892 -1.361) 7.026 9.169 ( 0.000 -6.338 -0.478) 6.356 10.110 ( 0.000 0.112 -6.794) 6.795 10.261 ( 0.000 -5.062 -11.956) 12.983 10.552 ( 0.000 -15.319 1.246) 15.369 10.907 ( 0.000 -13.289 -9.114) 16.114 11.816 ( 0.000 6.559 3.696) 7.529 11.846 ( 0.000 2.604 7.513) 7.951 11.967 ( 0.000 6.651 4.187) 7.859 11.972 ( 0.000 5.975 3.547) 6.948 17.334 ( 0.000 3.370 0.608) 3.424 17.367 ( 0.000 5.362 1.242) 5.504 17.368 ( 0.000 2.206 -0.023) 2.206 17.624 ( 0.000 -3.410 -2.873) 4.459 17.895 ( 0.000 -0.350 -0.152) 0.382 17.901 ( 0.000 -0.495 -0.553) 0.742 17.971 ( 0.000 -1.477 -0.446) 1.543 17.974 ( 0.000 -1.862 -0.468) 1.920 31.592 ( 0.000 0.105 0.262) 0.282 31.605 ( 0.000 -0.315 0.060) 0.321 31.611 ( 0.000 -0.387 0.420) 0.571 31.614 ( 0.000 -0.384 0.099) 0.397 50.750 ( 0.000 -0.499 0.563) 0.753 50.878 ( 0.000 -1.170 7.111) 7.207 50.984 ( 0.000 -10.142 -2.164) 10.371 51.429 ( 0.000 -17.358 -3.489) 17.705 ======================= Grid point 91 (38/84) ======================= q-point: ( 0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -5.528 16.654 -2.031) 17.665 3.131 ( -2.131 15.365 1.391) 15.574 3.191 ( -7.886 12.106 -0.087) 14.448 3.281 ( -0.329 15.474 -5.881) 16.557 3.434 ( 6.164 1.151 1.748) 6.509 3.614 ( 2.635 13.209 0.224) 13.471 3.681 ( 0.965 10.689 1.803) 10.883 3.777 ( -3.190 10.185 -2.984) 11.082 3.889 ( -1.699 7.340 5.520) 9.340 4.124 ( 1.817 -5.819 1.526) 6.284 4.160 ( 8.647 -2.254 3.464) 9.584 4.425 ( -2.842 2.495 -0.254) 3.790 4.482 ( 1.653 1.031 -2.582) 3.234 4.532 ( -2.745 10.615 -1.140) 11.023 4.750 ( 5.605 -6.184 -1.164) 8.427 4.821 ( -6.210 0.055 2.265) 6.611 4.871 ( -1.487 5.120 -0.322) 5.341 4.926 ( 1.341 -0.143 -3.585) 3.830 4.995 ( -1.687 5.897 2.148) 6.499 5.064 ( 2.650 11.828 2.277) 12.333 5.262 ( -4.931 -3.483 2.475) 6.525 5.310 ( 6.502 2.766 -2.178) 7.394 5.365 ( -7.315 -1.195 -2.827) 7.933 5.567 ( 5.639 4.052 -0.353) 6.953 5.667 ( 2.631 2.421 4.004) 5.368 5.903 ( 0.232 3.724 -0.262) 3.740 5.970 ( -0.107 -1.992 2.136) 2.923 6.041 ( -4.626 -0.201 7.659) 8.950 6.316 ( 2.491 -2.559 1.609) 3.916 6.518 ( -3.069 -6.439 3.964) 8.160 6.586 ( 8.154 -8.046 4.170) 12.191 6.887 ( -0.467 -10.146 7.125) 12.407 7.486 ( 3.160 18.683 -3.845) 19.334 7.856 ( -9.909 11.702 -0.741) 15.351 7.927 ( 2.662 9.326 -2.455) 10.005 8.001 ( -0.290 -1.035 1.395) 1.761 8.228 ( -2.397 0.004 -2.243) 3.283 8.261 ( -2.428 -0.437 -1.023) 2.671 8.289 ( 2.409 -1.175 -2.314) 3.541 8.439 ( 0.216 5.211 -3.923) 6.526 8.796 ( 2.124 8.382 0.057) 8.647 8.883 ( -1.093 3.399 -1.017) 3.712 8.944 ( 0.433 3.533 -0.884) 3.668 8.967 ( -0.922 -0.229 -0.781) 1.230 8.992 ( 2.164 1.867 0.899) 2.996 9.096 ( -0.163 4.273 -1.968) 4.707 9.133 ( 2.462 -3.547 -1.667) 4.628 9.181 ( 0.669 -6.426 -1.326) 6.595 10.076 ( -2.123 -1.785 -4.535) 5.316 10.164 ( -5.350 -2.161 -2.009) 6.110 10.675 ( 7.794 -13.736 -8.725) 18.043 10.895 ( -1.527 -13.553 -10.269) 17.073 11.831 ( 1.211 6.678 3.065) 7.447 11.849 ( 0.432 3.809 8.076) 8.940 11.949 ( -1.569 5.260 5.897) 8.057 11.952 ( -1.436 5.714 3.037) 6.629 17.331 ( 0.138 3.861 0.803) 3.946 17.359 ( -0.668 5.176 1.122) 5.338 17.409 ( 3.158 1.426 -0.398) 3.488 17.581 ( -3.492 -2.195 -2.313) 4.729 17.901 ( 0.779 -0.331 -0.104) 0.853 17.924 ( 1.545 -1.250 -0.791) 2.139 17.953 ( -1.139 -1.207 -0.242) 1.677 17.974 ( -0.375 -1.978 -0.702) 2.132 31.592 ( 0.072 0.144 0.287) 0.329 31.601 ( -0.268 -0.072 0.140) 0.311 31.613 ( 0.129 -0.548 0.350) 0.663 31.616 ( 0.062 -0.522 0.101) 0.535 50.756 ( 0.729 -0.402 1.511) 1.725 50.837 ( -2.516 -0.281 4.988) 5.593 51.075 ( 6.720 -11.873 -1.378) 13.713 51.375 ( -4.818 -16.671 -3.184) 17.643 ======================= Grid point 92 (39/84) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -4.338 12.327 0.365) 13.073 2.976 ( 4.338 12.327 0.365) 13.073 3.216 ( -4.472 21.767 -0.889) 22.239 3.216 ( 4.472 21.767 -0.889) 22.239 3.604 ( -4.321 7.818 0.348) 8.939 3.604 ( 4.321 7.818 0.348) 8.939 3.712 ( -3.239 8.313 -4.047) 9.796 3.712 ( 3.239 8.313 -4.047) 9.796 3.956 ( -7.892 -0.884 5.918) 9.904 3.956 ( 7.892 -0.884 5.918) 9.904 4.394 ( -2.003 -2.588 -0.903) 3.395 4.394 ( 2.003 -2.588 -0.903) 3.395 4.496 ( -8.412 5.620 -0.711) 10.142 4.496 ( 8.412 5.620 -0.711) 10.142 4.728 ( -3.044 1.332 0.986) 3.466 4.728 ( 3.044 1.332 0.986) 3.466 4.927 ( -2.323 -2.128 -2.316) 3.910 4.927 ( 2.323 -2.128 -2.316) 3.910 5.034 ( -5.465 2.285 2.689) 6.505 5.034 ( 5.465 2.285 2.689) 6.505 5.213 ( -5.716 4.821 0.001) 7.477 5.213 ( 5.716 4.821 0.001) 7.477 5.525 ( -7.292 3.297 -2.319) 8.332 5.525 ( 7.292 3.297 -2.319) 8.332 5.853 ( -9.038 -0.246 5.392) 10.527 5.853 ( 9.038 -0.246 5.392) 10.527 5.943 ( -1.949 4.061 1.320) 4.694 5.943 ( 1.949 4.061 1.320) 4.694 6.395 ( -4.778 -2.631 4.583) 7.124 6.395 ( 4.778 -2.631 4.583) 7.124 6.805 ( -7.511 -10.185 4.375) 13.390 6.805 ( 7.511 -10.185 4.375) 13.390 7.620 ( -9.515 19.864 -2.097) 22.125 7.620 ( 9.515 19.864 -2.097) 22.125 7.982 ( -1.854 0.246 -0.507) 1.938 7.982 ( 1.854 0.246 -0.507) 1.938 8.215 ( -1.034 -3.269 -1.074) 3.593 8.215 ( 1.034 -3.269 -1.074) 3.593 8.382 ( -4.820 4.126 -4.375) 7.707 8.382 ( 4.820 4.126 -4.375) 7.707 8.846 ( -2.132 4.734 0.822) 5.257 8.846 ( 2.132 4.734 0.822) 5.257 8.954 ( -0.479 1.568 -1.903) 2.512 8.954 ( 0.479 1.568 -1.903) 2.512 9.050 ( -3.072 4.289 -0.203) 5.280 9.050 ( 3.072 4.289 -0.203) 5.280 9.179 ( -1.163 -6.897 -2.306) 7.365 9.179 ( 1.163 -6.897 -2.306) 7.365 10.076 ( -2.462 -0.537 -0.114) 2.522 10.076 ( 2.462 -0.537 -0.114) 2.522 10.822 ( -5.317 -13.480 -12.266) 18.985 10.822 ( 5.317 -13.480 -12.266) 18.985 11.855 ( -0.535 6.598 5.157) 8.392 11.855 ( 0.535 6.598 5.157) 8.392 11.926 ( -0.288 3.950 5.478) 6.760 11.926 ( 0.288 3.950 5.478) 6.760 17.342 ( -0.789 4.603 1.006) 4.777 17.342 ( 0.789 4.603 1.006) 4.777 17.493 ( -4.296 -0.174 -1.301) 4.492 17.493 ( 4.296 -0.174 -1.301) 4.492 17.925 ( -1.313 -0.687 -0.137) 1.488 17.925 ( 1.313 -0.687 -0.137) 1.488 17.956 ( -1.214 -1.913 -0.861) 2.424 17.956 ( 1.214 -1.913 -0.861) 2.424 31.595 ( -0.224 0.122 0.259) 0.364 31.595 ( 0.224 0.122 0.259) 0.364 31.615 ( -0.078 -0.629 0.198) 0.664 31.615 ( 0.078 -0.629 0.198) 0.664 50.786 ( -2.005 0.071 3.250) 3.820 50.786 ( 2.005 0.071 3.250) 3.820 51.236 ( -7.491 -14.713 -2.324) 16.673 51.236 ( 7.491 -14.713 -2.324) 16.673 ======================= Grid point 95 (40/84) ======================= q-point: ( 0.00 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 0.000 3.659 3.388) 4.986 3.314 ( 0.000 2.873 -2.044) 3.526 3.385 ( 0.000 -3.064 2.911) 4.227 3.396 ( 0.000 1.473 -5.382) 5.580 3.577 ( 0.000 14.968 1.627) 15.056 3.781 ( 0.000 -5.159 3.918) 6.478 3.812 ( 0.000 5.956 -1.573) 6.161 3.837 ( 0.000 7.773 -3.972) 8.728 3.994 ( 0.000 3.808 3.323) 5.054 4.074 ( 0.000 -1.636 4.324) 4.623 4.317 ( 0.000 11.615 -3.658) 12.178 4.418 ( 0.000 1.811 -5.174) 5.482 4.544 ( 0.000 -3.395 -1.288) 3.631 4.553 ( 0.000 -4.610 -0.939) 4.705 4.740 ( 0.000 6.929 1.344) 7.059 4.867 ( 0.000 -4.237 -1.482) 4.489 4.931 ( 0.000 5.416 2.268) 5.871 4.981 ( 0.000 -3.227 4.237) 5.326 5.036 ( 0.000 -1.368 6.573) 6.714 5.121 ( 0.000 -0.332 1.228) 1.272 5.329 ( 0.000 4.697 0.489) 4.723 5.370 ( 0.000 12.916 1.825) 13.044 5.438 ( 0.000 -5.573 0.402) 5.588 5.564 ( 0.000 4.652 -2.453) 5.260 5.669 ( 0.000 -1.977 0.943) 2.191 5.765 ( 0.000 -7.210 0.948) 7.272 5.967 ( 0.000 1.816 -1.982) 2.688 6.046 ( 0.000 -5.839 1.115) 5.944 6.245 ( 0.000 2.163 1.459) 2.609 6.316 ( 0.000 -3.825 3.881) 5.449 6.501 ( 0.000 -0.212 7.357) 7.360 6.641 ( 0.000 -12.054 7.828) 14.373 7.784 ( 0.000 11.861 -7.193) 13.871 7.914 ( 0.000 -3.844 -3.601) 5.267 7.994 ( 0.000 4.826 3.369) 5.885 8.094 ( 0.000 -0.887 -1.496) 1.739 8.206 ( 0.000 -0.842 -1.926) 2.102 8.216 ( 0.000 -1.490 -2.131) 2.600 8.466 ( 0.000 2.774 -2.729) 3.892 8.473 ( 0.000 1.949 -3.023) 3.597 8.892 ( 0.000 -0.987 -1.388) 1.703 8.918 ( 0.000 -2.687 -3.658) 4.539 8.965 ( 0.000 1.858 -1.064) 2.141 8.981 ( 0.000 2.953 0.773) 3.052 9.011 ( 0.000 0.964 0.146) 0.975 9.031 ( 0.000 -3.428 -0.912) 3.547 9.260 ( 0.000 15.740 -0.787) 15.760 9.354 ( 0.000 9.433 -6.156) 11.264 10.102 ( 0.000 -4.819 -5.740) 7.494 10.116 ( 0.000 -7.444 -7.238) 10.382 10.364 ( 0.000 3.627 3.537) 5.066 10.605 ( 0.000 -15.778 -3.723) 16.212 11.892 ( 0.000 1.652 4.853) 5.126 11.896 ( 0.000 1.611 3.508) 3.860 12.053 ( 0.000 2.129 3.027) 3.701 12.054 ( 0.000 2.091 3.013) 3.668 17.382 ( 0.000 1.466 0.575) 1.575 17.393 ( 0.000 0.316 0.344) 0.467 17.466 ( 0.000 4.539 0.253) 4.546 17.550 ( 0.000 -3.919 -1.053) 4.059 17.891 ( 0.000 -0.071 -0.204) 0.215 17.893 ( 0.000 -0.248 -0.315) 0.401 17.949 ( 0.000 -0.594 -0.391) 0.712 17.949 ( 0.000 -0.582 -0.409) 0.711 31.594 ( 0.000 0.170 0.462) 0.492 31.598 ( 0.000 -0.254 0.294) 0.389 31.609 ( 0.000 0.005 0.599) 0.599 31.610 ( 0.000 -0.097 0.412) 0.423 50.755 ( 0.000 1.431 0.156) 1.440 50.825 ( 0.000 -5.727 -0.928) 5.802 50.935 ( 0.000 6.614 1.616) 6.809 51.128 ( 0.000 -12.536 -1.689) 12.649 ======================= Grid point 96 (41/84) ======================= q-point: ( 0.25 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -3.342 4.012 3.384) 6.223 3.249 ( -2.865 7.999 -1.312) 8.597 3.346 ( -1.489 -3.208 3.720) 5.133 3.410 ( -0.050 -2.237 -3.975) 4.562 3.630 ( 5.916 18.150 0.460) 19.095 3.832 ( 0.737 6.604 -4.308) 7.920 3.854 ( 2.928 6.052 -0.079) 6.724 3.919 ( 2.585 -1.862 1.331) 3.452 4.005 ( 5.968 -3.308 2.146) 7.153 4.029 ( -3.584 0.042 4.753) 5.953 4.159 ( -9.412 10.190 -0.594) 13.885 4.372 ( -6.020 -7.066 -4.078) 10.139 4.542 ( 1.197 3.235 1.088) 3.617 4.613 ( 5.671 -5.015 -1.572) 7.732 4.765 ( 0.365 3.544 -0.989) 3.698 4.815 ( -4.654 3.548 -2.295) 6.286 4.869 ( -3.652 -0.248 -0.861) 3.761 4.966 ( -2.222 6.684 3.794) 8.000 5.001 ( -3.145 -5.978 3.181) 7.466 5.172 ( -2.829 -9.995 -0.563) 10.403 5.276 ( 3.015 5.949 3.845) 7.699 5.340 ( 1.466 5.497 1.164) 5.807 5.429 ( -0.998 7.345 3.727) 8.296 5.626 ( 0.508 -3.455 -1.489) 3.796 5.725 ( 6.932 6.345 1.826) 9.573 5.878 ( 5.691 -6.741 0.263) 8.826 5.950 ( -1.169 1.132 -0.986) 1.902 5.993 ( -3.649 -3.893 0.638) 5.374 6.313 ( 4.969 3.337 2.538) 6.501 6.416 ( 7.431 -6.190 3.669) 10.344 6.474 ( -1.747 2.039 6.460) 6.996 6.641 ( -0.721 -12.516 6.092) 13.938 7.811 ( 2.625 10.482 -5.896) 12.310 7.915 ( 0.221 -2.742 -2.626) 3.803 7.977 ( -1.576 4.052 2.310) 4.923 8.035 ( -4.350 -0.165 -0.409) 4.372 8.199 ( -0.146 0.547 -2.237) 2.308 8.264 ( 4.732 -3.190 -4.168) 7.067 8.400 ( -5.333 7.151 -3.855) 9.718 8.478 ( -1.365 -0.822 -3.651) 3.983 8.903 ( 1.123 0.764 -1.071) 1.730 8.942 ( 0.773 -2.046 0.489) 2.241 8.975 ( -0.092 1.552 -1.189) 1.957 8.984 ( -0.211 5.378 -1.669) 5.635 9.030 ( 1.262 -2.143 -0.715) 2.588 9.047 ( 3.028 -0.605 -1.113) 3.282 9.156 ( -4.658 8.581 0.174) 9.765 9.293 ( -7.041 1.569 -4.494) 8.499 10.082 ( 3.479 5.983 -2.303) 7.294 10.232 ( 1.955 5.051 -5.883) 7.996 10.389 ( 3.833 -9.875 -1.813) 10.747 10.583 ( -2.161 -16.541 -4.938) 17.397 11.908 ( 1.503 1.978 4.819) 5.421 11.914 ( 1.655 1.651 3.671) 4.352 12.023 ( -2.469 2.088 3.904) 5.070 12.028 ( -2.270 1.729 2.867) 4.045 17.391 ( 0.960 2.178 0.566) 2.447 17.418 ( 1.998 -0.479 0.130) 2.059 17.452 ( -1.187 4.149 0.326) 4.328 17.526 ( -2.053 -3.251 -0.819) 3.932 17.898 ( 0.707 0.091 -0.214) 0.744 17.905 ( 0.947 -0.635 -0.399) 1.208 17.939 ( -0.775 -0.225 -0.327) 0.870 17.945 ( -0.527 -0.887 -0.468) 1.133 31.596 ( 0.139 0.214 0.495) 0.557 31.600 ( 0.087 -0.125 0.287) 0.325 31.607 ( -0.138 -0.064 0.616) 0.635 31.609 ( -0.107 -0.205 0.385) 0.449 50.776 ( 2.001 2.739 0.399) 3.415 50.868 ( 2.904 -4.214 -1.273) 5.273 50.912 ( -1.229 3.141 1.570) 3.720 51.087 ( -3.608 -11.897 -1.566) 12.530 ======================= Grid point 97 (42/84) ======================= q-point: (-0.50 0.46 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -1.236 10.065 1.804) 10.300 3.194 ( 1.236 10.065 1.804) 10.300 3.373 ( -2.835 -6.043 0.298) 6.682 3.373 ( 2.835 -6.043 0.298) 6.682 3.787 ( -6.399 13.374 -1.069) 14.864 3.787 ( 6.399 13.374 -1.069) 14.864 3.905 ( -0.759 4.495 -0.876) 4.642 3.905 ( 0.759 4.495 -0.876) 4.642 3.989 ( -2.775 6.121 2.193) 7.069 3.989 ( 2.775 6.121 2.193) 7.069 4.217 ( -8.562 -12.296 -0.657) 14.998 4.217 ( 8.562 -12.296 -0.657) 14.998 4.627 ( -6.527 5.400 2.387) 8.801 4.627 ( 6.527 5.400 2.387) 8.801 4.750 ( -4.706 -4.826 -1.991) 7.028 4.750 ( 4.706 -4.826 -1.991) 7.028 4.877 ( -4.580 5.556 -2.504) 7.624 4.877 ( 4.580 5.556 -2.504) 7.624 5.022 ( -5.662 -5.543 0.534) 7.941 5.022 ( 5.662 -5.543 0.534) 7.941 5.357 ( -3.453 9.906 4.009) 11.230 5.357 ( 3.453 9.906 4.009) 11.230 5.532 ( -8.360 -5.130 2.071) 10.025 5.532 ( 8.360 -5.130 2.071) 10.025 5.871 ( -5.190 3.529 0.658) 6.310 5.871 ( 5.190 3.529 0.658) 6.310 5.953 ( -0.888 -2.854 -0.032) 2.989 5.953 ( 0.888 -2.854 -0.032) 2.989 6.411 ( -3.570 4.897 4.439) 7.512 6.411 ( 3.570 4.897 4.439) 7.512 6.579 ( -5.436 -11.033 4.015) 12.938 6.579 ( 5.436 -11.033 4.015) 12.938 7.893 ( -3.955 6.290 -2.315) 7.783 7.893 ( 3.955 6.290 -2.315) 7.783 7.957 ( -1.715 -1.971 -0.550) 2.670 7.957 ( 1.715 -1.971 -0.550) 2.670 8.259 ( -5.861 7.545 -3.255) 10.093 8.259 ( 5.861 7.545 -3.255) 10.093 8.393 ( -6.072 -3.566 -5.138) 8.717 8.393 ( 6.072 -3.566 -5.138) 8.717 8.931 ( -1.623 2.909 0.159) 3.334 8.931 ( 1.623 2.909 0.159) 3.334 8.969 ( -1.174 0.112 0.033) 1.180 8.969 ( 1.174 0.112 0.033) 1.180 9.091 ( -2.658 0.291 -1.775) 3.210 9.091 ( 2.658 0.291 -1.775) 3.210 9.136 ( -5.773 -0.302 -1.275) 5.920 9.136 ( 5.773 -0.302 -1.275) 5.920 10.186 ( -4.626 12.215 -1.451) 13.142 10.186 ( 4.626 12.215 -1.451) 13.142 10.504 ( -5.089 -17.442 -7.050) 19.489 10.504 ( 5.089 -17.442 -7.050) 19.489 11.951 ( -0.988 3.050 4.240) 5.316 11.951 ( 0.988 3.050 4.240) 5.316 11.975 ( -0.939 0.650 3.829) 3.996 11.975 ( 0.939 0.650 3.829) 3.996 17.420 ( -1.594 3.244 0.461) 3.643 17.420 ( 1.594 3.244 0.461) 3.643 17.471 ( -2.748 -1.858 -0.321) 3.332 17.471 ( 2.748 -1.858 -0.321) 3.332 17.918 ( -1.030 0.044 -0.263) 1.064 17.918 ( 1.030 0.044 -0.263) 1.064 17.928 ( -1.011 -0.943 -0.481) 1.464 17.928 ( 1.011 -0.943 -0.481) 1.464 31.600 ( -0.143 0.276 0.465) 0.559 31.600 ( 0.143 0.276 0.465) 0.559 31.606 ( -0.096 -0.368 0.435) 0.577 31.606 ( 0.096 -0.368 0.435) 0.577 50.836 ( -3.190 4.977 0.688) 5.951 50.836 ( 3.190 4.977 0.688) 5.951 50.987 ( -5.232 -10.099 -1.135) 11.431 50.987 ( 5.232 -10.099 -1.135) 11.431 ======================= Grid point 130 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 0.000 27.933) 27.933 1.157 ( 0.000 0.000 29.547) 29.547 1.891 ( 0.000 0.000 -4.324) 4.324 2.115 ( 0.000 0.000 -20.027) 20.027 2.595 ( 0.000 0.000 46.295) 46.295 2.650 ( 0.000 0.000 32.164) 32.164 2.674 ( 0.000 0.000 7.256) 7.256 2.873 ( 0.000 0.000 13.432) 13.432 2.973 ( 0.000 0.000 -7.697) 7.697 3.365 ( 0.000 0.000 10.319) 10.319 3.474 ( 0.000 0.000 8.379) 8.379 3.708 ( 0.000 0.000 -9.420) 9.420 3.893 ( 0.000 0.000 -12.607) 12.607 3.957 ( 0.000 0.000 -14.019) 14.019 4.058 ( 0.000 0.000 6.073) 6.073 4.295 ( 0.000 0.000 -5.493) 5.493 4.494 ( 0.000 0.000 -22.243) 22.243 4.494 ( 0.000 0.000 -10.367) 10.367 4.823 ( 0.000 0.000 2.801) 2.801 4.826 ( 0.000 0.000 -6.251) 6.251 4.832 ( 0.000 0.000 4.841) 4.841 4.841 ( 0.000 0.000 2.292) 2.292 5.150 ( 0.000 0.000 -18.479) 18.479 5.151 ( 0.000 0.000 -2.059) 2.059 5.449 ( 0.000 0.000 3.514) 3.514 5.519 ( 0.000 0.000 3.650) 3.650 5.555 ( 0.000 0.000 3.010) 3.010 5.568 ( 0.000 0.000 -2.331) 2.331 5.877 ( 0.000 0.000 -4.252) 4.252 5.883 ( 0.000 0.000 -2.388) 2.388 6.319 ( 0.000 0.000 7.357) 7.357 6.665 ( 0.000 0.000 -1.919) 1.919 6.746 ( 0.000 0.000 -7.795) 7.795 7.044 ( 0.000 0.000 -11.466) 11.466 7.760 ( 0.000 0.000 6.051) 6.051 7.905 ( 0.000 0.000 1.042) 1.042 8.729 ( 0.000 0.000 4.795) 4.795 8.784 ( 0.000 0.000 1.526) 1.526 8.841 ( 0.000 0.000 -1.213) 1.213 8.845 ( 0.000 0.000 4.802) 4.802 8.881 ( 0.000 0.000 0.995) 0.995 8.918 ( 0.000 0.000 -0.784) 0.784 9.112 ( 0.000 0.000 -6.530) 6.530 9.136 ( 0.000 0.000 -16.088) 16.088 9.396 ( 0.000 0.000 10.110) 10.110 9.464 ( 0.000 0.000 3.806) 3.806 9.802 ( 0.000 0.000 12.156) 12.156 10.182 ( 0.000 0.000 -6.323) 6.323 10.592 ( 0.000 0.000 0.139) 0.139 10.602 ( 0.000 0.000 -0.335) 0.335 10.622 ( 0.000 0.000 -0.020) 0.020 10.623 ( 0.000 0.000 -0.087) 0.087 10.887 ( 0.000 0.000 6.845) 6.845 11.126 ( 0.000 0.000 15.228) 15.228 11.211 ( 0.000 0.000 -7.510) 7.510 11.729 ( 0.000 0.000 -12.092) 12.092 16.868 ( 0.000 0.000 0.214) 0.214 16.876 ( 0.000 0.000 0.376) 0.376 16.878 ( 0.000 0.000 -0.286) 0.286 16.888 ( 0.000 0.000 -0.193) 0.193 17.924 ( 0.000 0.000 0.260) 0.260 17.933 ( 0.000 0.000 -0.228) 0.228 18.145 ( 0.000 0.000 0.927) 0.927 18.214 ( 0.000 0.000 -2.448) 2.448 31.675 ( 0.000 0.000 -0.185) 0.185 31.675 ( 0.000 0.000 -0.096) 0.096 31.721 ( 0.000 0.000 1.457) 1.457 31.784 ( 0.000 0.000 -0.914) 0.914 51.598 ( 0.000 0.000 14.462) 14.462 51.977 ( 0.000 0.000 -4.618) 4.618 53.032 ( 0.000 0.000 0.061) 0.061 53.062 ( 0.000 0.000 -1.493) 1.493 ======================= Grid point 131 (44/84) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 10.222 0.000 22.073) 24.325 1.343 ( 15.579 0.000 24.082) 28.682 1.803 ( -10.527 0.000 -2.998) 10.945 2.069 ( -7.556 0.000 -7.225) 10.454 2.345 ( -3.081 0.000 29.543) 29.703 2.557 ( -3.589 0.000 -1.465) 3.876 2.876 ( -9.128 0.000 -11.481) 14.668 2.927 ( 15.069 0.000 17.200) 22.867 2.965 ( -3.613 0.000 19.458) 19.791 3.378 ( 0.232 0.000 4.681) 4.686 3.489 ( -1.604 0.000 10.936) 11.053 3.612 ( 10.754 0.000 8.795) 13.892 3.982 ( 2.974 0.000 -4.724) 5.582 4.020 ( -0.098 0.000 0.369) 0.382 4.045 ( -16.016 0.000 3.837) 16.469 4.264 ( -2.990 0.000 -6.250) 6.928 4.363 ( 7.628 0.000 -12.954) 15.033 4.489 ( -1.628 0.000 -5.956) 6.175 4.673 ( -5.059 0.000 -13.524) 14.439 4.810 ( -0.946 0.000 2.949) 3.096 4.821 ( -1.470 0.000 2.724) 3.095 4.999 ( -8.391 0.000 -5.408) 9.983 5.103 ( 11.933 0.000 -14.996) 19.164 5.272 ( 5.938 0.000 -6.503) 8.806 5.462 ( -5.146 0.000 0.334) 5.156 5.473 ( 1.958 0.000 2.437) 3.126 5.516 ( -2.021 0.000 -1.669) 2.621 5.556 ( -1.159 0.000 -1.592) 1.969 5.888 ( 0.816 0.000 0.682) 1.064 5.949 ( 1.306 0.000 -3.546) 3.779 6.348 ( 7.154 0.000 5.488) 9.017 6.729 ( -2.701 0.000 -8.067) 8.507 6.849 ( 12.308 0.000 -2.368) 12.534 7.144 ( 6.522 0.000 -10.165) 12.077 7.591 ( -9.170 0.000 5.170) 10.527 7.864 ( -7.888 0.000 -5.678) 9.719 8.732 ( 1.137 0.000 3.706) 3.877 8.791 ( 0.554 0.000 1.320) 1.432 8.798 ( -1.981 0.000 2.352) 3.075 8.828 ( -0.931 0.000 -0.268) 0.969 8.891 ( 0.669 0.000 0.190) 0.695 8.914 ( -0.305 0.000 -0.720) 0.782 9.015 ( -3.187 0.000 -6.749) 7.464 9.075 ( -2.896 0.000 -6.918) 7.500 9.555 ( 10.761 0.000 11.830) 15.992 9.744 ( 1.773 0.000 6.915) 7.139 9.823 ( 14.328 0.000 2.126) 14.485 10.155 ( -0.994 0.000 -4.422) 4.532 10.596 ( 0.337 0.000 0.135) 0.363 10.606 ( 0.296 0.000 -0.323) 0.438 10.617 ( -0.399 0.000 0.059) 0.404 10.622 ( -0.225 0.000 -0.173) 0.284 10.788 ( -6.144 0.000 10.523) 12.186 11.009 ( -9.960 0.000 14.148) 17.302 11.355 ( 10.218 0.000 -10.402) 14.581 11.697 ( -3.416 0.000 -14.761) 15.151 16.869 ( 0.058 0.000 0.211) 0.218 16.873 ( -0.140 0.000 0.207) 0.250 16.881 ( 0.162 0.000 -0.128) 0.207 16.887 ( -0.080 0.000 -0.180) 0.197 17.954 ( 2.554 0.000 0.569) 2.617 17.997 ( 4.113 0.000 -2.240) 4.683 18.128 ( -1.106 0.000 0.321) 1.151 18.198 ( -1.508 0.000 -3.027) 3.382 31.634 ( -1.282 0.000 0.035) 1.283 31.657 ( -1.461 0.000 -0.850) 1.690 31.770 ( 2.258 0.000 1.086) 2.506 31.796 ( 0.663 0.000 -0.017) 0.664 51.632 ( 3.696 0.000 17.211) 17.603 51.964 ( -3.721 0.000 3.548) 5.142 52.778 ( -13.008 0.000 7.231) 14.883 52.955 ( -9.167 0.000 -3.069) 9.667 ======================= Grid point 132 (45/84) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -15.384 0.000 13.036) 20.164 1.481 ( 15.384 0.000 13.036) 20.164 1.744 ( -19.402 0.000 13.479) 23.624 1.744 ( 19.402 0.000 13.479) 23.624 2.568 ( -19.562 0.000 2.689) 19.746 2.568 ( 19.562 0.000 2.689) 19.746 2.650 ( -9.732 0.000 -13.094) 16.314 2.650 ( 9.732 0.000 -13.094) 16.314 3.382 ( -14.187 0.000 12.377) 18.827 3.382 ( 14.187 0.000 12.377) 18.827 3.569 ( -16.677 0.000 24.992) 30.046 3.569 ( 16.677 0.000 24.992) 30.046 3.847 ( -9.610 0.000 7.500) 12.190 3.847 ( 9.610 0.000 7.500) 12.190 4.161 ( -6.510 0.000 -8.168) 10.445 4.161 ( 6.510 0.000 -8.168) 10.445 4.479 ( -2.252 0.000 -12.558) 12.759 4.479 ( 2.252 0.000 -12.558) 12.759 4.756 ( -11.715 0.000 -9.610) 15.152 4.756 ( 11.715 0.000 -9.610) 15.152 4.799 ( -0.226 0.000 3.106) 3.114 4.799 ( 0.226 0.000 3.106) 3.114 5.330 ( -7.369 0.000 -11.401) 13.575 5.330 ( 7.369 0.000 -11.401) 13.575 5.410 ( -6.537 0.000 -1.890) 6.804 5.410 ( 6.537 0.000 -1.890) 6.804 5.520 ( -2.085 0.000 0.277) 2.103 5.520 ( 2.085 0.000 0.277) 2.103 5.923 ( -2.306 0.000 1.909) 2.994 5.923 ( 2.306 0.000 1.909) 2.994 6.582 ( -10.784 0.000 -4.300) 11.610 6.582 ( 10.784 0.000 -4.300) 11.610 7.105 ( -10.217 0.000 0.309) 10.222 7.105 ( 10.217 0.000 0.309) 10.222 7.616 ( -11.249 0.000 -8.306) 13.984 7.616 ( 11.249 0.000 -8.306) 13.984 8.773 ( -1.475 0.000 2.057) 2.531 8.773 ( 1.475 0.000 2.057) 2.531 8.807 ( -0.930 0.000 0.718) 1.174 8.807 ( 0.930 0.000 0.718) 1.174 8.905 ( -0.569 0.000 -0.457) 0.730 8.905 ( 0.569 0.000 -0.457) 0.730 9.011 ( -2.254 0.000 -6.320) 6.710 9.011 ( 2.254 0.000 -6.320) 6.710 9.706 ( -2.913 0.000 11.968) 12.317 9.706 ( 2.913 0.000 11.968) 12.317 10.104 ( -7.646 0.000 -2.263) 7.974 10.104 ( 7.646 0.000 -2.263) 7.974 10.606 ( -0.482 0.000 0.090) 0.490 10.606 ( 0.482 0.000 0.090) 0.490 10.615 ( -0.376 0.000 -0.241) 0.447 10.615 ( 0.376 0.000 -0.241) 0.447 10.779 ( -7.719 0.000 13.237) 15.323 10.779 ( 7.719 0.000 13.237) 15.323 11.568 ( -8.429 0.000 -14.667) 16.917 11.568 ( 8.429 0.000 -14.667) 16.917 16.871 ( -0.108 0.000 0.202) 0.229 16.871 ( 0.108 0.000 0.202) 0.229 16.884 ( -0.139 0.000 -0.147) 0.203 16.884 ( 0.139 0.000 -0.147) 0.203 18.016 ( -2.369 0.000 0.470) 2.415 18.016 ( 2.369 0.000 0.470) 2.415 18.149 ( -2.775 0.000 -3.493) 4.461 18.149 ( 2.775 0.000 -3.493) 4.461 31.631 ( -0.766 0.000 -0.736) 1.063 31.631 ( 0.766 0.000 -0.736) 1.063 31.799 ( -0.515 0.000 0.880) 1.020 31.799 ( 0.515 0.000 0.880) 1.020 51.781 ( -9.902 0.000 19.130) 21.541 51.781 ( 9.902 0.000 19.130) 21.541 52.744 ( -7.709 0.000 -2.281) 8.039 52.744 ( 7.709 0.000 -2.281) 8.039 ======================= Grid point 135 (46/84) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 16.604 23.148) 28.488 1.324 ( 0.000 14.590 25.744) 29.591 2.017 ( 0.000 11.807 -8.385) 14.481 2.222 ( 0.000 8.836 -15.626) 17.951 2.680 ( 0.000 5.044 24.454) 24.969 2.729 ( 0.000 11.547 22.179) 25.004 2.814 ( 0.000 11.861 30.365) 32.599 2.997 ( 0.000 14.296 9.477) 17.152 3.064 ( 0.000 6.117 -4.435) 7.556 3.441 ( 0.000 8.170 10.630) 13.407 3.568 ( 0.000 8.347 5.225) 9.848 3.680 ( 0.000 -1.062 -9.353) 9.413 3.930 ( 0.000 2.963 -12.663) 13.005 3.940 ( 0.000 2.702 -8.917) 9.317 4.223 ( 0.000 10.617 3.019) 11.038 4.335 ( 0.000 4.160 -11.320) 12.060 4.521 ( 0.000 3.623 -11.836) 12.378 4.522 ( 0.000 2.453 -5.252) 5.797 4.809 ( 0.000 -1.029 -8.338) 8.402 4.875 ( 0.000 4.130 0.576) 4.170 4.939 ( 0.000 8.683 -0.039) 8.683 4.956 ( 0.000 9.780 0.911) 9.822 5.107 ( 0.000 -2.258 -11.837) 12.050 5.177 ( 0.000 4.102 -5.468) 6.836 5.449 ( 0.000 -2.154 2.654) 3.418 5.530 ( 0.000 1.675 8.406) 8.571 5.550 ( 0.000 7.035 -3.208) 7.732 5.791 ( 0.000 6.652 -4.516) 8.040 5.970 ( 0.000 11.418 -0.012) 11.418 5.972 ( 0.000 14.245 1.046) 14.284 6.302 ( 0.000 -1.026 8.565) 8.627 6.646 ( 0.000 -1.892 -3.652) 4.112 6.721 ( 0.000 -2.185 -4.523) 5.023 7.030 ( 0.000 -1.297 -11.535) 11.608 7.734 ( 0.000 -2.024 6.828) 7.122 7.876 ( 0.000 -2.765 1.962) 3.390 8.624 ( 0.000 -7.006 2.102) 7.315 8.733 ( 0.000 -7.385 -0.566) 7.407 8.807 ( 0.000 -5.916 1.804) 6.185 8.816 ( 0.000 -3.275 -0.531) 3.318 8.865 ( 0.000 3.382 1.740) 3.803 8.966 ( 0.000 2.051 0.954) 2.262 9.110 ( 0.000 -2.259 -4.166) 4.739 9.144 ( 0.000 -0.437 -12.924) 12.932 9.354 ( 0.000 -3.472 12.306) 12.786 9.545 ( 0.000 7.279 -1.525) 7.437 9.690 ( 0.000 -9.099 7.715) 11.929 9.988 ( 0.000 -12.902 -6.150) 14.293 10.439 ( 0.000 -15.021 4.216) 15.602 10.537 ( 0.000 -7.376 -1.250) 7.481 10.757 ( 0.000 12.379 1.938) 12.530 10.859 ( 0.000 17.650 -2.303) 17.800 10.946 ( 0.000 4.497 5.038) 6.753 11.149 ( 0.000 0.916 3.052) 3.186 11.251 ( 0.000 5.969 4.757) 7.633 11.746 ( 0.000 1.857 -11.061) 11.216 16.907 ( 0.000 3.716 0.471) 3.746 16.923 ( 0.000 4.555 1.190) 4.708 16.927 ( 0.000 4.435 -0.537) 4.468 17.059 ( 0.000 14.162 -8.904) 16.729 17.922 ( 0.000 -0.226 0.239) 0.329 17.930 ( 0.000 -0.260 -0.223) 0.342 18.131 ( 0.000 -1.405 0.780) 1.607 18.192 ( 0.000 -2.073 -2.247) 3.057 31.651 ( 0.000 -2.241 0.736) 2.358 31.665 ( 0.000 -0.945 -0.363) 1.013 31.700 ( 0.000 -1.518 0.762) 1.699 31.758 ( 0.000 -2.412 -1.103) 2.652 51.524 ( 0.000 -7.211 13.870) 15.632 51.899 ( 0.000 -7.579 -4.978) 9.067 52.621 ( 0.000 -33.344 17.705) 37.753 52.920 ( 0.000 -13.566 -3.645) 14.047 ======================= Grid point 136 (47/84) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 7.674 13.327 19.008) 24.450 1.462 ( 12.192 10.825 21.443) 26.938 1.891 ( -12.311 8.629 0.030) 15.034 2.180 ( -6.979 9.352 -6.900) 13.556 2.492 ( -1.746 13.823 17.235) 22.162 2.679 ( -3.922 11.169 0.700) 11.859 2.933 ( -1.119 1.206 3.085) 3.496 3.011 ( -6.403 11.541 5.301) 14.223 3.104 ( 11.658 14.332 18.743) 26.318 3.439 ( -4.677 5.860 -2.959) 8.060 3.492 ( 1.179 2.047 13.107) 13.318 3.729 ( 11.455 9.448 7.397) 16.589 3.987 ( -5.491 1.710 1.214) 5.878 4.048 ( 4.319 3.756 -4.372) 7.203 4.149 ( -5.365 9.429 -0.689) 10.870 4.334 ( -4.697 4.953 -5.169) 8.562 4.438 ( 5.759 6.515 -7.608) 11.554 4.525 ( 0.406 4.307 -6.296) 7.639 4.689 ( -5.638 2.133 -10.517) 12.122 4.879 ( -1.876 3.980 0.663) 4.449 4.939 ( -1.484 10.421 1.611) 10.649 4.998 ( -6.939 1.546 -3.390) 7.876 5.149 ( 11.680 5.565 -15.031) 19.832 5.255 ( 5.349 -0.758 -3.434) 6.401 5.440 ( -1.025 -0.786 -0.773) 1.505 5.489 ( -3.484 -0.520 3.131) 4.713 5.549 ( -0.418 5.299 -2.463) 5.859 5.689 ( -5.551 7.103 -3.867) 9.809 5.973 ( 0.609 10.396 2.689) 10.756 6.025 ( 0.406 9.430 1.525) 9.561 6.348 ( 7.295 0.440 4.806) 8.747 6.697 ( -2.542 -2.931 -8.555) 9.394 6.820 ( 11.802 -2.254 1.473) 12.106 7.137 ( 7.164 -0.507 -10.433) 12.666 7.552 ( -10.179 -3.454 5.808) 12.218 7.830 ( -8.061 -2.852 -5.341) 10.081 8.649 ( 2.435 -6.203 2.070) 6.977 8.713 ( -0.927 -5.344 0.828) 5.487 8.794 ( -0.465 -4.334 0.285) 4.368 8.819 ( -0.386 -3.690 1.635) 4.054 8.879 ( 1.432 1.998 -0.353) 2.483 8.953 ( -1.181 2.431 0.031) 2.703 9.030 ( -3.707 0.109 -6.027) 7.077 9.075 ( -2.848 -0.510 -5.096) 5.860 9.501 ( 9.263 -5.318 13.138) 16.931 9.658 ( -1.737 -7.857 7.469) 10.979 9.802 ( 13.689 -1.854 -2.789) 14.093 10.011 ( 3.456 -9.145 -5.170) 11.059 10.437 ( -0.022 -14.126 5.268) 15.076 10.536 ( -0.437 -7.328 -0.929) 7.399 10.733 ( -2.696 9.422 1.422) 9.903 10.782 ( -4.497 11.031 -0.629) 11.929 10.902 ( -1.739 10.697 5.836) 12.309 11.065 ( -7.579 4.907 8.231) 12.218 11.395 ( 10.256 4.676 -5.772) 12.664 11.719 ( -2.947 2.344 -12.619) 13.169 16.908 ( 0.112 3.738 0.535) 3.777 16.917 ( -0.296 4.163 0.808) 4.251 16.940 ( 0.939 5.449 -0.624) 5.564 17.021 ( -2.675 11.606 -5.534) 13.134 17.950 ( 2.438 -0.365 0.519) 2.520 17.991 ( 3.937 -0.600 -2.147) 4.524 18.112 ( -1.214 -1.455 0.317) 1.921 18.177 ( -1.455 -2.012 -2.798) 3.741 31.624 ( -0.950 -0.977 0.068) 1.365 31.646 ( -1.284 -1.004 -0.751) 1.795 31.742 ( 2.112 -2.356 0.806) 3.265 31.769 ( 0.610 -2.517 -0.263) 2.603 51.553 ( 3.137 -7.588 16.332) 18.280 51.859 ( -5.476 -10.130 5.728) 12.861 52.523 ( -3.256 -21.624 11.457) 24.687 52.819 ( -8.612 -12.980 -4.462) 16.204 ======================= Grid point 137 (48/84) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -12.733 8.529 11.753) 19.313 1.562 ( 12.733 8.529 11.753) 19.313 1.848 ( -19.192 8.987 11.175) 23.958 1.848 ( 19.192 8.987 11.175) 23.958 2.671 ( -14.492 10.117 2.802) 17.895 2.671 ( 14.492 10.117 2.802) 17.895 2.785 ( -9.102 11.833 -11.599) 18.904 2.785 ( 9.102 11.833 -11.599) 18.904 3.425 ( -6.664 3.986 7.737) 10.962 3.425 ( 6.664 3.986 7.737) 10.962 3.614 ( -16.218 6.657 23.410) 29.247 3.614 ( 16.218 6.657 23.410) 29.247 3.974 ( -8.808 9.732 4.657) 13.927 3.974 ( 8.808 9.732 4.657) 13.927 4.217 ( -5.818 6.217 -5.578) 10.179 4.217 ( 5.818 6.217 -5.578) 10.179 4.545 ( -1.244 6.316 -9.592) 11.552 4.545 ( 1.244 6.316 -9.592) 11.552 4.731 ( -10.141 -1.265 -8.017) 12.989 4.731 ( 10.141 -1.265 -8.017) 12.989 4.914 ( -0.058 9.624 2.303) 9.896 4.914 ( 0.058 9.624 2.303) 9.896 5.349 ( -6.211 2.085 -7.261) 9.780 5.349 ( 6.211 2.085 -7.261) 9.780 5.391 ( -6.819 -1.088 -1.410) 7.048 5.391 ( 6.819 -1.088 -1.410) 7.048 5.583 ( -4.123 4.051 -4.388) 7.257 5.583 ( 4.123 4.051 -4.388) 7.257 6.000 ( -1.849 9.089 4.748) 10.420 6.000 ( 1.849 9.089 4.748) 10.420 6.563 ( -9.675 -1.435 -4.027) 10.578 6.563 ( 9.675 -1.435 -4.027) 10.578 7.086 ( -11.470 -1.591 2.440) 11.834 7.086 ( 11.470 -1.591 2.440) 11.834 7.578 ( -11.818 -3.298 -9.098) 15.274 7.578 ( 11.818 -3.298 -9.098) 15.274 8.698 ( -1.206 -5.119 1.784) 5.553 8.698 ( 1.206 -5.119 1.784) 5.553 8.801 ( -1.063 -3.689 1.067) 3.984 8.801 ( 1.063 -3.689 1.067) 3.984 8.919 ( -1.904 1.886 -1.523) 3.082 8.919 ( 1.904 1.886 -1.523) 3.082 9.017 ( -1.877 -0.089 -4.084) 4.495 9.017 ( 1.877 -0.089 -4.084) 4.495 9.620 ( -2.271 -7.701 10.038) 12.854 9.620 ( 2.271 -7.701 10.038) 12.854 10.026 ( -6.380 -6.821 -1.027) 9.396 10.026 ( 6.380 -6.821 -1.027) 9.396 10.483 ( -4.243 -9.336 3.481) 10.830 10.483 ( 4.243 -9.336 3.481) 10.830 10.712 ( -2.349 7.283 -1.035) 7.723 10.712 ( 2.349 7.283 -1.035) 7.723 10.914 ( -3.964 10.876 6.975) 13.515 10.914 ( 3.964 10.876 6.975) 13.515 11.602 ( -7.895 3.587 -11.588) 14.473 11.602 ( 7.895 3.587 -11.588) 14.473 16.912 ( -0.222 3.890 0.688) 3.957 16.912 ( 0.222 3.890 0.688) 3.957 16.970 ( -1.880 7.788 -2.100) 8.283 16.970 ( 1.880 7.788 -2.100) 8.283 18.009 ( -2.294 -0.603 0.418) 2.408 18.009 ( 2.294 -0.603 0.418) 2.408 18.130 ( -2.649 -1.825 -3.228) 4.557 18.130 ( 2.649 -1.825 -3.228) 4.557 31.622 ( -0.690 -0.737 -0.687) 1.221 31.622 ( 0.690 -0.737 -0.687) 1.221 31.771 ( -0.537 -2.562 0.576) 2.680 31.771 ( 0.537 -2.562 0.576) 2.680 51.679 ( -8.469 -9.533 18.631) 22.577 51.679 ( 8.469 -9.533 18.631) 22.577 52.606 ( -9.142 -12.966 -2.445) 16.052 52.606 ( 9.142 -12.966 -2.445) 16.052 ======================= Grid point 140 (49/84) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 20.282 18.845) 27.686 1.687 ( 0.000 25.636 15.342) 29.876 2.313 ( 0.000 16.673 -10.146) 19.517 2.409 ( 0.000 10.090 -5.815) 11.646 2.867 ( 0.000 11.578 3.806) 12.188 2.914 ( 0.000 9.292 6.088) 11.109 3.181 ( 0.000 7.078 6.919) 9.898 3.215 ( 0.000 23.206 29.173) 37.277 3.339 ( 0.000 15.986 2.587) 16.194 3.582 ( 0.000 5.200 6.339) 8.199 3.747 ( 0.000 10.037 -1.380) 10.131 3.848 ( 0.000 18.383 -3.344) 18.685 3.978 ( 0.000 2.253 1.085) 2.501 4.101 ( 0.000 12.464 -10.902) 16.559 4.408 ( 0.000 7.588 2.848) 8.105 4.440 ( 0.000 5.552 -15.900) 16.841 4.572 ( 0.000 1.975 0.096) 1.977 4.635 ( 0.000 6.410 2.483) 6.874 4.819 ( 0.000 2.577 -9.478) 9.822 4.971 ( 0.000 3.709 -9.418) 10.122 5.055 ( 0.000 3.842 0.040) 3.843 5.074 ( 0.000 2.253 -2.068) 3.058 5.166 ( 0.000 6.886 -0.613) 6.913 5.321 ( 0.000 6.553 -15.358) 16.697 5.498 ( 0.000 7.308 6.725) 9.931 5.545 ( 0.000 0.078 7.834) 7.834 5.771 ( 0.000 17.620 -3.130) 17.896 5.852 ( 0.000 3.291 -3.973) 5.159 6.306 ( 0.000 3.147 8.360) 8.933 6.358 ( 0.000 24.798 6.363) 25.602 6.400 ( 0.000 23.763 5.280) 24.342 6.585 ( 0.000 -4.135 -7.078) 8.198 6.688 ( 0.000 0.279 2.586) 2.601 7.000 ( 0.000 -1.489 -11.436) 11.532 7.706 ( 0.000 -0.005 7.782) 7.782 7.808 ( 0.000 -3.606 4.670) 5.900 8.461 ( 0.000 -9.258 -0.005) 9.258 8.576 ( 0.000 -8.041 -3.318) 8.699 8.671 ( 0.000 -7.476 2.013) 7.742 8.719 ( 0.000 -6.301 -1.626) 6.507 8.879 ( 0.000 -2.318 2.593) 3.478 8.959 ( 0.000 -3.916 0.814) 3.999 9.020 ( 0.000 -5.593 -1.278) 5.738 9.082 ( 0.000 -4.598 -6.191) 7.712 9.276 ( 0.000 -4.687 12.887) 13.713 9.514 ( 0.000 -7.846 1.993) 8.095 9.614 ( 0.000 -5.449 -3.063) 6.251 9.827 ( 0.000 -0.058 -13.987) 13.987 10.080 ( 0.000 -18.923 7.286) 20.277 10.324 ( 0.000 -12.510 -5.516) 13.672 10.968 ( 0.000 3.948 -1.637) 4.274 10.986 ( 0.000 1.313 -1.525) 2.012 11.214 ( 0.000 9.535 2.711) 9.913 11.254 ( 0.000 18.904 0.095) 18.904 11.449 ( 0.000 12.422 10.355) 16.172 11.803 ( 0.000 3.591 -6.280) 7.234 17.007 ( 0.000 6.055 0.842) 6.113 17.043 ( 0.000 6.927 2.924) 7.518 17.043 ( 0.000 6.697 -1.012) 6.773 17.327 ( 0.000 11.066 -14.665) 18.372 17.916 ( 0.000 -0.367 0.137) 0.391 17.923 ( 0.000 -0.460 -0.208) 0.505 18.093 ( 0.000 -2.253 0.405) 2.289 18.137 ( 0.000 -3.245 -1.760) 3.692 31.606 ( 0.000 -1.801 0.618) 1.904 31.641 ( 0.000 -1.333 -0.640) 1.479 31.671 ( 0.000 -1.447 0.012) 1.447 31.702 ( 0.000 -2.842 -1.124) 3.056 51.327 ( 0.000 -11.868 12.693) 17.377 51.691 ( 0.000 -12.693 -5.719) 13.922 51.980 ( 0.000 -27.740 27.548) 39.095 52.562 ( 0.000 -21.101 -7.430) 22.371 ======================= Grid point 141 (50/84) ======================= q-point: ( 0.25 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.874 22.362 13.130) 26.090 1.747 ( 6.637 17.518 15.766) 24.485 2.130 ( -12.384 14.753 3.395) 19.559 2.398 ( -7.451 12.141 -7.952) 16.314 2.810 ( 0.959 15.784 -0.393) 15.818 2.939 ( -8.522 11.766 0.207) 14.530 3.006 ( 3.252 8.437 8.523) 12.426 3.284 ( -5.482 11.396 -0.076) 12.647 3.400 ( 9.263 12.877 12.939) 20.470 3.623 ( -7.422 10.350 -2.090) 12.906 3.664 ( 1.854 19.348 12.588) 23.157 3.900 ( 13.440 7.527 -0.326) 15.408 4.097 ( -0.498 8.982 2.947) 9.466 4.216 ( 5.427 12.151 -1.030) 13.347 4.361 ( -0.981 11.335 -2.091) 11.568 4.421 ( -3.307 4.613 -1.467) 5.863 4.572 ( 3.165 4.652 -1.037) 5.721 4.664 ( 2.920 9.286 -6.601) 11.761 4.754 ( -4.015 3.942 -8.584) 10.264 4.911 ( -5.498 1.281 -3.951) 6.891 5.057 ( -0.449 3.258 -1.262) 3.523 5.143 ( 2.779 2.718 -2.623) 4.690 5.254 ( 7.238 7.711 -1.218) 10.646 5.338 ( 1.754 6.682 -8.232) 10.747 5.448 ( -2.223 2.797 1.485) 3.869 5.497 ( -3.665 1.081 5.814) 6.957 5.708 ( -5.910 13.200 -4.512) 15.151 5.781 ( -5.210 4.234 -5.481) 8.667 6.276 ( -1.451 13.247 7.077) 15.089 6.338 ( -1.475 20.429 8.472) 22.165 6.419 ( 4.656 9.521 0.940) 10.640 6.646 ( -0.926 -0.081 -5.715) 5.791 6.792 ( 10.791 0.708 5.624) 12.189 7.135 ( 9.725 0.733 -10.980) 14.686 7.474 ( -13.105 -3.771 7.806) 15.712 7.778 ( -8.091 -1.614 -5.088) 9.693 8.500 ( 3.718 -8.426 1.844) 9.392 8.597 ( 1.013 -6.402 -0.744) 6.524 8.664 ( -0.179 -7.793 0.867) 7.843 8.715 ( -0.617 -6.479 -0.834) 6.561 8.883 ( 0.908 -2.673 1.780) 3.337 8.964 ( -0.240 -2.003 -0.974) 2.240 8.985 ( -1.911 -4.104 -0.548) 4.560 9.047 ( -2.261 -2.172 -4.625) 5.587 9.353 ( 5.072 -8.760 12.462) 16.055 9.487 ( -1.977 -8.747 3.979) 9.811 9.686 ( 5.737 -9.252 -1.774) 11.030 9.903 ( 3.182 -5.358 -9.222) 11.130 10.129 ( 5.754 -12.927 5.526) 15.191 10.333 ( 0.336 -11.645 -4.495) 12.487 10.849 ( -6.291 2.125 -1.169) 6.742 10.946 ( -5.102 3.778 -4.597) 7.838 11.183 ( -0.918 14.814 4.751) 15.584 11.247 ( -2.409 14.960 3.710) 15.601 11.550 ( 7.802 10.174 2.248) 13.017 11.789 ( -1.740 4.356 -6.426) 7.956 17.008 ( 0.175 6.043 1.103) 6.145 17.028 ( -0.588 6.551 2.052) 6.890 17.077 ( 2.389 7.629 -1.354) 8.109 17.258 ( -5.134 10.645 -10.154) 15.581 17.940 ( 2.119 -0.641 0.395) 2.249 17.974 ( 3.433 -1.023 -1.881) 4.046 18.074 ( -1.395 -2.261 0.241) 2.667 18.124 ( -1.283 -3.110 -2.251) 4.048 31.601 ( -0.140 -1.066 0.027) 1.076 31.624 ( -0.992 -1.033 -0.702) 1.595 31.693 ( 1.285 -2.367 0.084) 2.694 31.710 ( 0.453 -3.063 -0.586) 3.151 51.350 ( 2.404 -11.971 14.322) 18.820 51.595 ( -7.268 -15.024 9.954) 19.432 52.071 ( 7.587 -21.689 9.354) 24.808 52.476 ( -7.449 -20.243 -7.006) 22.679 ======================= Grid point 142 (51/84) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -7.216 17.318 8.091) 20.432 1.824 ( 7.216 17.318 8.091) 20.432 2.069 ( -15.536 13.207 7.611) 21.765 2.069 ( 15.536 13.207 7.611) 21.765 2.919 ( -8.208 13.075 3.335) 15.794 2.919 ( 8.208 13.075 3.335) 15.794 3.050 ( -11.059 13.195 -9.851) 19.836 3.050 ( 11.059 13.195 -9.851) 19.836 3.533 ( -2.832 7.168 2.650) 8.150 3.533 ( 2.832 7.168 2.650) 8.150 3.889 ( -13.617 20.173 17.385) 29.910 3.889 ( 13.617 20.173 17.385) 29.910 4.140 ( -7.818 6.551 -2.070) 10.408 4.140 ( 7.818 6.551 -2.070) 10.408 4.414 ( -1.511 11.876 0.239) 11.974 4.414 ( 1.511 11.876 0.239) 11.974 4.667 ( -4.574 2.153 -4.113) 6.517 4.667 ( 4.574 2.153 -4.113) 6.517 4.758 ( -6.350 7.160 -8.849) 13.034 4.758 ( 6.350 7.160 -8.849) 13.034 5.110 ( -4.894 7.493 2.444) 9.277 5.110 ( 4.894 7.493 2.444) 9.277 5.362 ( -4.778 -0.456 4.289) 6.436 5.362 ( 4.778 -0.456 4.289) 6.436 5.440 ( -7.336 5.739 -3.352) 9.899 5.440 ( 7.336 5.739 -3.352) 9.899 5.659 ( -5.046 5.382 -9.373) 11.928 5.659 ( 5.046 5.382 -9.373) 11.928 6.292 ( -2.236 17.739 7.850) 19.526 6.292 ( 2.236 17.739 7.850) 19.526 6.560 ( -6.478 2.556 -2.884) 7.538 6.560 ( 6.478 2.556 -2.884) 7.538 7.065 ( -13.478 0.224 6.742) 15.072 7.065 ( 13.478 0.224 6.742) 15.072 7.513 ( -13.615 -2.358 -10.968) 17.641 7.513 ( 13.615 -2.358 -10.968) 17.641 8.579 ( -2.673 -6.710 2.220) 7.557 8.579 ( 2.673 -6.710 2.220) 7.557 8.687 ( -1.787 -7.087 -0.472) 7.324 8.687 ( 1.787 -7.087 -0.472) 7.324 8.921 ( -2.383 -2.593 0.234) 3.529 8.921 ( 2.383 -2.593 0.234) 3.529 8.998 ( -1.940 -1.528 -2.140) 3.267 8.998 ( 1.940 -1.528 -2.140) 3.267 9.435 ( -2.840 -10.144 6.813) 12.545 9.435 ( 2.840 -10.144 6.813) 12.545 9.848 ( -7.173 -11.356 0.713) 13.450 9.848 ( 7.173 -11.356 0.713) 13.450 10.287 ( -5.692 -9.071 -0.013) 10.708 10.287 ( 5.692 -9.071 -0.013) 10.708 10.817 ( -4.268 2.871 -5.605) 7.607 10.817 ( 4.268 2.871 -5.605) 7.607 11.192 ( -1.777 15.974 5.228) 16.901 11.192 ( 1.777 15.974 5.228) 16.901 11.709 ( -5.823 6.668 -4.323) 9.852 11.709 ( 5.823 6.668 -4.323) 9.852 17.016 ( -0.493 6.239 1.695) 6.484 17.016 ( 0.493 6.239 1.695) 6.484 17.150 ( -4.355 9.207 -4.599) 11.175 17.150 ( 4.355 9.207 -4.599) 11.175 17.993 ( -2.091 -1.061 0.296) 2.363 17.993 ( 2.091 -1.061 0.296) 2.363 18.082 ( -2.313 -2.756 -2.621) 4.451 18.082 ( 2.313 -2.756 -2.621) 4.451 31.606 ( -0.595 -0.761 -0.555) 1.114 31.606 ( 0.595 -0.761 -0.555) 1.114 31.712 ( -0.373 -3.042 -0.038) 3.065 31.712 ( 0.373 -3.042 -0.038) 3.065 51.441 ( -6.012 -13.257 16.399) 21.928 51.441 ( 6.012 -13.257 16.399) 21.928 52.273 ( -10.272 -19.182 -3.419) 22.026 52.273 ( 10.272 -19.182 -3.419) 22.026 ======================= Grid point 145 (52/84) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.000 23.866 11.411) 26.453 2.227 ( 0.000 27.369 9.033) 28.821 2.646 ( 0.000 15.900 -7.921) 17.764 2.647 ( 0.000 13.814 -6.983) 15.479 3.064 ( 0.000 8.398 -3.166) 8.975 3.142 ( 0.000 13.576 1.092) 13.619 3.388 ( 0.000 12.989 11.163) 17.127 3.499 ( 0.000 8.550 1.943) 8.769 3.665 ( 0.000 12.552 4.573) 13.359 3.695 ( 0.000 6.442 2.052) 6.761 3.954 ( 0.000 7.288 -1.528) 7.447 4.178 ( 0.000 12.711 -5.564) 13.876 4.214 ( 0.000 23.289 21.472) 31.677 4.349 ( 0.000 10.221 -8.159) 13.078 4.507 ( 0.000 -0.684 -6.018) 6.057 4.544 ( 0.000 7.405 1.950) 7.658 4.628 ( 0.000 5.737 -3.159) 6.549 4.762 ( 0.000 5.789 4.240) 7.176 4.867 ( 0.000 1.757 -2.239) 2.846 4.974 ( 0.000 -2.761 -6.398) 6.968 5.123 ( 0.000 1.957 -0.842) 2.130 5.152 ( 0.000 5.255 -0.014) 5.255 5.342 ( 0.000 10.763 -5.891) 12.269 5.398 ( 0.000 2.687 -15.104) 15.341 5.566 ( 0.000 2.768 4.166) 5.002 5.617 ( 0.000 2.735 2.351) 3.607 5.992 ( 0.000 9.703 5.639) 11.223 6.188 ( 0.000 19.593 -0.219) 19.594 6.405 ( 0.000 6.419 4.785) 8.006 6.483 ( 0.000 -5.272 -3.948) 6.587 6.652 ( 0.000 3.993 6.480) 7.612 6.872 ( 0.000 21.084 9.655) 23.190 6.983 ( 0.000 27.848 2.939) 28.003 6.984 ( 0.000 0.909 -8.995) 9.041 7.758 ( 0.000 -0.219 7.678) 7.681 7.768 ( 0.000 6.934 6.788) 9.703 8.263 ( 0.000 -10.180 -0.587) 10.197 8.423 ( 0.000 -6.923 -5.391) 8.775 8.513 ( 0.000 -8.177 1.359) 8.289 8.565 ( 0.000 -9.094 -1.365) 9.196 8.784 ( 0.000 -6.028 1.840) 6.302 8.824 ( 0.000 -7.133 -0.018) 7.133 8.925 ( 0.000 -3.591 0.524) 3.629 9.002 ( 0.000 -3.937 -3.583) 5.323 9.173 ( 0.000 -5.002 8.433) 9.805 9.345 ( 0.000 -9.816 2.047) 10.027 9.430 ( 0.000 -10.221 -4.168) 11.038 9.618 ( 0.000 -19.022 -3.185) 19.287 9.970 ( 0.000 4.229 -8.962) 9.910 10.103 ( 0.000 -8.331 -9.040) 12.294 10.928 ( 0.000 -5.479 -3.863) 6.704 10.979 ( 0.000 -2.191 -6.240) 6.614 11.486 ( 0.000 14.554 6.432) 15.911 11.602 ( 0.000 15.458 0.657) 15.472 11.701 ( 0.000 12.016 8.550) 14.747 11.878 ( 0.000 3.655 0.195) 3.660 17.136 ( 0.000 6.529 1.015) 6.608 17.178 ( 0.000 6.469 -1.137) 6.568 17.184 ( 0.000 6.856 4.060) 7.968 17.487 ( 0.000 5.163 -12.318) 13.356 17.908 ( 0.000 -0.412 -0.074) 0.418 17.912 ( 0.000 -0.556 -0.190) 0.587 18.045 ( 0.000 -2.454 -0.020) 2.454 18.070 ( 0.000 -3.349 -1.219) 3.564 31.585 ( 0.000 -0.356 0.058) 0.360 31.617 ( 0.000 -0.912 -0.799) 1.212 31.644 ( 0.000 -1.187 -0.136) 1.195 31.654 ( 0.000 -1.881 -0.612) 1.978 51.084 ( 0.000 -11.488 10.672) 15.680 51.415 ( 0.000 -14.248 -6.069) 15.487 51.528 ( 0.000 -18.279 22.138) 28.709 52.119 ( 0.000 -22.393 -9.305) 24.249 ======================= Grid point 146 (53/84) ======================= q-point: ( 0.25 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.891 22.117 9.267) 24.154 2.192 ( -0.926 25.475 8.233) 26.788 2.463 ( -9.173 18.090 0.385) 20.286 2.658 ( -9.052 13.632 -8.916) 18.635 3.097 ( 3.032 13.074 -6.608) 14.960 3.128 ( -1.089 10.390 0.761) 10.475 3.247 ( -4.486 12.137 9.646) 16.140 3.454 ( 0.441 7.732 0.857) 7.792 3.636 ( 0.691 10.759 2.569) 11.083 3.810 ( -4.420 9.412 -2.117) 10.612 4.057 ( 8.157 8.808 -4.212) 12.722 4.153 ( 7.262 19.725 5.055) 21.619 4.272 ( 0.567 11.163 7.332) 13.368 4.459 ( 5.152 8.992 3.226) 10.854 4.534 ( 1.233 6.470 2.747) 7.136 4.584 ( 1.120 5.937 -3.517) 6.991 4.633 ( 1.884 8.083 1.698) 8.472 4.817 ( -2.599 4.329 -2.719) 5.735 4.838 ( 5.420 4.529 0.028) 7.063 4.979 ( -1.901 2.336 -5.122) 5.942 5.089 ( -4.565 2.380 -4.621) 6.918 5.148 ( 4.150 0.997 -5.439) 6.913 5.310 ( 3.176 -0.110 0.657) 3.245 5.443 ( -2.103 1.633 -2.720) 3.806 5.554 ( -5.387 6.318 2.782) 8.757 5.605 ( 5.200 9.171 -3.520) 11.114 5.884 ( -7.850 8.095 3.013) 11.672 6.035 ( -11.576 13.568 -1.121) 17.870 6.441 ( 4.058 4.643 4.888) 7.869 6.561 ( 4.459 6.696 -0.986) 8.106 6.655 ( 0.492 5.932 7.813) 9.823 6.854 ( -4.863 15.696 -1.168) 16.474 6.956 ( 5.427 16.267 9.147) 19.435 7.210 ( 13.662 9.404 -7.882) 18.363 7.437 ( -16.311 1.469 10.308) 19.351 7.801 ( -7.962 4.736 -6.204) 11.149 8.326 ( 5.818 -8.544 2.800) 10.709 8.458 ( 1.867 -7.337 -2.403) 7.943 8.501 ( -0.793 -8.301 1.227) 8.429 8.558 ( -0.762 -9.074 -1.082) 9.170 8.789 ( 1.450 -5.213 2.249) 5.860 8.876 ( 2.458 -5.457 -2.148) 6.359 8.902 ( -1.107 -3.793 1.842) 4.359 8.992 ( -1.194 -3.389 -3.362) 4.921 9.191 ( 1.667 -6.767 7.419) 10.179 9.303 ( -2.920 -9.568 2.445) 10.298 9.479 ( 3.970 -11.223 -1.991) 12.070 9.620 ( -0.409 -18.099 -2.671) 18.299 10.059 ( 6.307 1.264 -5.906) 8.733 10.131 ( 2.208 -7.617 -6.737) 10.405 10.839 ( -4.565 -3.010 -4.794) 7.272 10.948 ( -4.415 -2.486 -9.156) 10.464 11.486 ( 0.271 14.737 6.004) 15.915 11.563 ( -2.714 15.043 3.053) 15.588 11.762 ( 4.356 10.154 5.199) 12.212 11.880 ( -0.260 4.468 0.451) 4.498 17.137 ( 0.224 6.507 1.479) 6.676 17.164 ( -0.734 6.768 2.838) 7.376 17.224 ( 3.046 6.690 -1.421) 7.487 17.424 ( -4.895 5.943 -9.277) 12.056 17.926 ( 1.671 -0.764 0.245) 1.854 17.952 ( 2.697 -1.180 -1.488) 3.298 18.027 ( -1.430 -2.378 0.079) 2.776 18.060 ( -1.014 -3.170 -1.646) 3.713 31.587 ( 0.239 -0.269 -0.069) 0.367 31.608 ( -0.613 -0.561 -0.582) 1.014 31.652 ( 0.513 -1.630 -0.260) 1.728 31.657 ( 0.233 -2.062 -0.504) 2.135 51.108 ( 2.226 -11.476 11.475) 16.381 51.303 ( -6.285 -13.548 9.302) 17.594 51.670 ( 9.056 -18.523 4.274) 21.057 52.049 ( -6.117 -21.633 -8.275) 23.956 ======================= Grid point 147 (54/84) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -1.425 22.182 3.755) 22.543 2.227 ( 1.425 22.182 3.755) 22.543 2.374 ( -8.600 17.025 3.881) 19.465 2.374 ( 8.600 17.025 3.881) 19.465 3.173 ( -5.246 12.600 4.398) 14.339 3.173 ( 5.246 12.600 4.398) 14.339 3.279 ( -10.749 9.797 -8.680) 16.937 3.279 ( 10.749 9.797 -8.680) 16.937 3.725 ( -5.055 11.953 0.683) 12.996 3.725 ( 5.055 11.953 0.683) 12.996 4.218 ( -4.834 2.986 -4.371) 7.168 4.218 ( 4.834 2.986 -4.371) 7.168 4.357 ( -9.734 22.543 11.975) 27.319 4.357 ( 9.734 22.543 11.975) 27.319 4.581 ( -3.827 1.562 1.266) 4.323 4.581 ( 3.827 1.562 1.266) 4.323 4.723 ( -4.731 7.160 -1.580) 8.726 4.723 ( 4.731 7.160 -1.580) 8.726 4.925 ( -2.320 6.458 -6.550) 9.486 4.925 ( 2.320 6.458 -6.550) 9.486 5.169 ( -8.013 0.004 1.930) 8.243 5.169 ( 8.013 0.004 1.930) 8.243 5.341 ( -2.981 -1.416 -1.772) 3.746 5.341 ( 2.981 -1.416 -1.772) 3.746 5.617 ( -9.872 11.655 3.350) 15.637 5.617 ( 9.872 11.655 3.350) 15.637 5.809 ( -6.676 7.723 -4.299) 11.076 5.809 ( 6.676 7.723 -4.299) 11.076 6.552 ( -4.788 6.637 6.046) 10.175 6.552 ( 4.788 6.637 6.046) 10.175 6.735 ( -5.909 13.440 0.606) 14.694 6.735 ( 5.909 13.440 0.606) 14.694 7.128 ( -11.109 6.314 9.840) 16.127 7.128 ( 11.109 6.314 9.840) 16.127 7.531 ( -14.869 5.890 -11.451) 19.670 7.531 ( 14.869 5.890 -11.451) 19.670 8.436 ( -3.460 -7.352 1.980) 8.363 8.436 ( 3.460 -7.352 1.980) 8.363 8.526 ( -2.149 -8.900 -0.699) 9.182 8.526 ( 2.149 -8.900 -0.699) 9.182 8.841 ( -2.828 -4.068 2.214) 5.427 8.841 ( 2.828 -4.068 2.214) 5.427 8.949 ( -2.648 -3.554 -2.576) 5.126 8.949 ( 2.648 -3.554 -2.576) 5.126 9.240 ( -2.698 -8.779 4.168) 10.085 9.240 ( 2.698 -8.779 4.168) 10.085 9.575 ( -3.887 -14.922 -0.947) 15.450 9.575 ( 3.887 -14.922 -0.947) 15.450 10.154 ( -1.497 -4.320 -2.523) 5.222 10.154 ( 1.497 -4.320 -2.523) 5.222 10.830 ( -4.225 -1.577 -9.953) 10.928 10.830 ( 4.225 -1.577 -9.953) 10.928 11.509 ( -1.926 14.959 4.752) 15.813 11.509 ( 1.926 14.959 4.752) 15.813 11.847 ( -2.927 6.747 1.988) 7.619 11.847 ( 2.927 6.747 1.988) 7.619 17.148 ( -0.717 6.639 2.388) 7.091 17.148 ( 0.717 6.639 2.388) 7.091 17.312 ( -4.927 6.680 -4.859) 9.618 17.312 ( 4.927 6.680 -4.859) 9.618 17.969 ( -1.810 -1.278 0.168) 2.222 17.969 ( 1.810 -1.278 0.168) 2.222 18.026 ( -1.894 -2.754 -1.957) 3.873 18.026 ( 1.894 -2.754 -1.957) 3.873 31.595 ( -0.499 -0.285 -0.311) 0.653 31.595 ( 0.499 -0.285 -0.311) 0.653 31.659 ( -0.087 -2.064 -0.357) 2.097 31.659 ( 0.087 -2.064 -0.357) 2.097 51.182 ( -4.623 -11.999 12.447) 17.896 51.182 ( 4.623 -11.999 12.447) 17.896 51.875 ( -9.333 -19.994 -4.388) 22.497 51.875 ( 9.333 -19.994 -4.388) 22.497 ======================= Grid point 150 (55/84) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 0.000 24.819 4.681) 25.257 2.739 ( 0.000 22.889 2.756) 23.055 2.928 ( 0.000 12.355 -5.826) 13.660 2.935 ( 0.000 13.767 -11.308) 17.816 3.261 ( 0.000 12.675 4.980) 13.618 3.430 ( 0.000 13.785 -1.584) 13.876 3.649 ( 0.000 12.127 4.041) 12.782 3.662 ( 0.000 5.916 1.110) 6.019 3.793 ( 0.000 5.561 2.717) 6.189 3.826 ( 0.000 5.908 1.376) 6.066 4.141 ( 0.000 8.838 2.673) 9.234 4.356 ( 0.000 6.299 -3.023) 6.987 4.460 ( 0.000 2.396 -0.769) 2.516 4.468 ( 0.000 0.059 2.478) 2.478 4.686 ( 0.000 19.921 13.570) 24.104 4.726 ( 0.000 3.205 -0.425) 3.233 4.775 ( 0.000 8.155 -2.535) 8.540 4.785 ( 0.000 4.559 -2.130) 5.032 4.892 ( 0.000 -4.584 -5.642) 7.269 4.942 ( 0.000 2.715 -2.097) 3.430 5.153 ( 0.000 1.378 -0.916) 1.655 5.261 ( 0.000 6.964 3.905) 7.985 5.449 ( 0.000 1.994 -6.848) 7.132 5.494 ( 0.000 1.963 -3.474) 3.990 5.648 ( 0.000 4.349 -0.165) 4.352 5.690 ( 0.000 6.662 -2.003) 6.957 6.114 ( 0.000 0.338 7.577) 7.584 6.363 ( 0.000 -5.917 -1.943) 6.228 6.428 ( 0.000 3.478 12.012) 12.505 6.516 ( 0.000 3.546 4.765) 5.939 6.730 ( 0.000 1.577 -0.345) 1.615 7.024 ( 0.000 3.950 -7.863) 8.799 7.216 ( 0.000 11.159 14.362) 18.187 7.498 ( 0.000 21.842 0.771) 21.856 7.847 ( 0.000 8.754 3.764) 9.529 7.987 ( 0.000 13.925 1.477) 14.003 8.084 ( 0.000 -6.474 0.650) 6.506 8.317 ( 0.000 -3.524 -5.431) 6.474 8.354 ( 0.000 -7.400 0.045) 7.400 8.380 ( 0.000 -8.091 -0.954) 8.147 8.696 ( 0.000 -1.366 0.825) 1.596 8.739 ( 0.000 -0.686 -2.497) 2.589 8.895 ( 0.000 1.355 0.873) 1.612 8.938 ( 0.000 -1.177 -1.600) 1.986 9.083 ( 0.000 -4.184 4.386) 6.061 9.148 ( 0.000 -8.406 0.402) 8.416 9.220 ( 0.000 -10.922 -3.452) 11.455 9.301 ( 0.000 -11.289 -3.448) 11.804 9.997 ( 0.000 -2.783 -7.885) 8.362 10.036 ( 0.000 1.693 -12.130) 12.248 10.779 ( 0.000 -9.229 -2.057) 9.455 10.894 ( 0.000 -6.346 -9.036) 11.042 11.743 ( 0.000 10.705 6.261) 12.402 11.862 ( 0.000 10.419 1.011) 10.468 11.911 ( 0.000 8.680 5.799) 10.439 11.943 ( 0.000 2.797 4.912) 5.652 17.258 ( 0.000 5.444 0.889) 5.516 17.292 ( 0.000 4.782 -0.785) 4.846 17.308 ( 0.000 5.525 4.001) 6.822 17.548 ( 0.000 1.352 -8.130) 8.242 17.899 ( 0.000 -0.408 -0.259) 0.483 17.901 ( 0.000 -0.527 -0.177) 0.556 17.998 ( 0.000 -2.153 -0.320) 2.177 18.008 ( 0.000 -2.718 -0.786) 2.830 31.587 ( 0.000 0.484 0.132) 0.502 31.607 ( 0.000 -0.145 -0.440) 0.463 31.625 ( 0.000 -0.701 -0.063) 0.703 31.626 ( 0.000 -0.878 -0.125) 0.887 50.891 ( 0.000 -7.550 6.966) 10.273 51.143 ( 0.000 -12.550 -5.400) 13.663 51.224 ( 0.000 -12.445 15.080) 19.552 51.691 ( 0.000 -19.935 -8.709) 21.754 ======================= Grid point 151 (56/84) ======================= q-point: ( 0.25 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -0.404 22.027 3.745) 22.346 2.699 ( -1.507 24.879 3.811) 25.214 2.824 ( -4.645 17.354 -4.994) 18.647 2.927 ( -8.310 13.002 -7.265) 17.056 3.322 ( 3.521 11.082 0.209) 11.629 3.401 ( -1.721 14.345 0.209) 14.449 3.461 ( -3.080 9.939 4.824) 11.469 3.594 ( -1.421 5.654 -2.068) 6.186 3.843 ( 2.460 9.903 5.659) 11.668 4.030 ( 3.255 12.571 0.330) 12.990 4.198 ( 4.590 3.388 -3.330) 6.605 4.288 ( -2.424 5.101 -5.039) 7.569 4.464 ( 0.179 -2.696 3.537) 4.451 4.508 ( 2.848 -2.083 0.031) 3.528 4.718 ( 1.210 15.625 9.204) 18.174 4.783 ( 3.193 9.987 0.388) 10.492 4.829 ( 5.652 3.527 1.500) 6.829 4.856 ( 4.718 4.271 2.065) 6.691 4.910 ( 0.242 -4.415 -4.831) 6.549 4.927 ( -1.495 4.924 2.325) 5.647 5.148 ( 1.393 2.898 -2.761) 4.238 5.243 ( -5.797 5.469 -9.296) 12.245 5.326 ( -1.319 1.622 2.707) 3.421 5.470 ( -3.767 1.431 -3.443) 5.300 5.664 ( 3.425 6.091 2.998) 7.604 5.782 ( 5.719 7.131 -2.467) 9.468 6.028 ( -7.073 4.426 5.981) 10.266 6.184 ( -11.835 1.759 2.255) 12.175 6.467 ( 4.653 -0.666 8.697) 9.885 6.689 ( -2.307 0.309 1.952) 3.037 6.716 ( 10.715 1.882 4.260) 11.683 7.020 ( -0.769 3.780 -6.027) 7.156 7.248 ( 1.680 10.255 11.265) 15.326 7.523 ( -6.395 16.946 -1.409) 18.167 7.608 ( -3.302 15.920 5.958) 17.316 7.955 ( -7.190 7.971 -7.967) 13.368 8.197 ( 6.977 -2.835 2.428) 7.913 8.320 ( -0.098 -5.895 -2.850) 6.549 8.343 ( -0.651 -6.973 0.136) 7.005 8.378 ( -0.325 -7.742 -0.948) 7.806 8.728 ( 2.965 -0.016 1.340) 3.254 8.797 ( 4.225 -1.246 -2.596) 5.113 8.867 ( -2.259 1.136 1.526) 2.953 8.932 ( -1.126 -1.419 -2.151) 2.812 9.082 ( 0.285 -4.400 3.732) 5.776 9.129 ( -1.405 -6.979 0.830) 7.167 9.254 ( 2.533 -10.747 -3.093) 11.467 9.311 ( 0.448 -11.743 -3.572) 12.283 10.029 ( 2.843 -2.932 -4.997) 6.453 10.082 ( 2.857 0.414 -7.599) 8.129 10.732 ( -2.317 -7.563 -5.437) 9.599 10.859 ( -3.780 -6.449 -10.994) 13.294 11.744 ( 0.368 10.716 5.532) 12.065 11.823 ( -2.690 10.718 2.619) 11.356 11.934 ( 1.711 6.392 5.248) 8.445 11.962 ( 0.985 4.117 4.664) 6.299 17.258 ( 0.289 5.469 1.476) 5.672 17.290 ( -0.626 5.633 2.601) 6.236 17.336 ( 2.728 4.475 -0.779) 5.298 17.503 ( -3.647 2.253 -6.495) 7.781 17.911 ( 1.199 -0.697 0.102) 1.390 17.929 ( 1.899 -1.089 -1.052) 2.429 17.982 ( -1.257 -2.012 -0.081) 2.374 18.002 ( -0.749 -2.570 -1.146) 2.912 31.589 ( 0.173 0.396 0.130) 0.451 31.602 ( -0.337 -0.016 -0.218) 0.402 31.627 ( 0.172 -0.854 -0.181) 0.890 31.628 ( 0.146 -0.877 -0.164) 0.904 50.914 ( 2.054 -7.672 7.517) 10.935 51.066 ( -4.379 -9.929 5.629) 12.225 51.331 ( 7.061 -15.277 2.232) 16.977 51.636 ( -4.933 -19.329 -7.689) 21.379 ======================= Grid point 152 (57/84) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -6.458 19.935 1.008) 20.979 2.667 ( 6.458 19.935 1.008) 20.979 2.743 ( -1.437 20.578 -0.001) 20.628 2.743 ( 1.437 20.578 -0.001) 20.628 3.421 ( -2.491 11.135 1.657) 11.530 3.421 ( 2.491 11.135 1.657) 11.530 3.465 ( -7.187 10.010 -3.348) 12.770 3.465 ( 7.187 10.010 -3.348) 12.770 3.980 ( -7.288 11.718 2.076) 13.955 3.980 ( 7.288 11.718 2.076) 13.955 4.240 ( -3.139 1.465 -3.951) 5.255 4.240 ( 3.139 1.465 -3.951) 5.255 4.532 ( -2.711 -4.510 -0.155) 5.265 4.532 ( 2.711 -4.510 -0.155) 5.265 4.745 ( -3.404 11.692 6.732) 13.915 4.745 ( 3.404 11.692 6.732) 13.915 4.859 ( -2.777 4.894 1.512) 5.827 4.859 ( 2.777 4.894 1.512) 5.827 4.991 ( -7.216 2.205 -2.639) 7.994 4.991 ( 7.216 2.205 -2.639) 7.994 5.161 ( -11.381 0.300 2.366) 11.628 5.161 ( 11.381 0.300 2.366) 11.628 5.360 ( -5.882 3.522 -7.369) 10.065 5.360 ( 5.882 3.522 -7.369) 10.065 5.842 ( -9.965 9.528 4.031) 14.364 5.842 ( 9.965 9.528 4.031) 14.364 5.929 ( -9.066 4.082 1.354) 10.035 5.929 ( 9.066 4.082 1.354) 10.035 6.592 ( -5.850 -1.936 8.821) 10.760 6.592 ( 5.850 -1.936 8.821) 10.760 6.942 ( -7.773 4.103 -1.719) 8.956 6.942 ( 7.773 4.103 -1.719) 8.956 7.299 ( -5.562 12.009 7.022) 14.982 7.299 ( 5.562 12.009 7.022) 14.982 7.761 ( -9.686 14.127 -7.104) 18.544 7.761 ( 9.686 14.127 -7.104) 18.544 8.295 ( -2.389 -6.597 -0.456) 7.031 8.295 ( 2.389 -6.597 -0.456) 7.031 8.356 ( -1.553 -6.892 -0.153) 7.066 8.356 ( 1.553 -6.892 -0.153) 7.066 8.803 ( -3.473 0.875 1.825) 4.019 8.803 ( 3.473 0.875 1.825) 4.019 8.883 ( -3.285 -1.576 -2.502) 4.420 8.883 ( 3.285 -1.576 -2.502) 4.420 9.099 ( -1.176 -5.109 2.125) 5.657 9.099 ( 1.176 -5.109 2.125) 5.657 9.302 ( -1.438 -11.494 -3.309) 12.047 9.302 ( 1.438 -11.494 -3.309) 12.047 10.094 ( -2.093 -2.021 -1.651) 3.345 10.094 ( 2.093 -2.021 -1.651) 3.345 10.753 ( -4.376 -6.090 -11.766) 13.953 10.753 ( 4.376 -6.090 -11.766) 13.953 11.769 ( -1.965 10.801 4.063) 11.706 11.769 ( 1.965 10.801 4.063) 11.706 11.965 ( -0.828 4.852 4.947) 6.979 11.965 ( 0.828 4.852 4.947) 6.979 17.272 ( -0.850 5.622 2.383) 6.165 17.272 ( 0.850 5.622 2.383) 6.165 17.414 ( -4.188 3.601 -3.667) 6.630 17.414 ( 4.188 3.601 -3.667) 6.630 17.943 ( -1.492 -1.202 0.063) 1.917 17.943 ( 1.492 -1.202 0.063) 1.917 17.976 ( -1.504 -2.209 -1.368) 3.002 17.976 ( 1.504 -2.209 -1.368) 3.002 31.595 ( -0.326 0.196 0.033) 0.382 31.595 ( 0.326 0.196 0.033) 0.382 31.630 ( -0.038 -0.927 -0.219) 0.954 31.630 ( 0.038 -0.927 -0.219) 0.954 50.977 ( -3.687 -8.264 8.068) 12.123 50.977 ( 3.687 -8.264 8.068) 12.123 51.495 ( -7.555 -17.703 -4.347) 19.733 51.495 ( 7.555 -17.703 -4.347) 19.733 ======================= Grid point 155 (58/84) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 0.000 17.133 -2.012) 17.251 3.114 ( 0.000 14.019 -4.451) 14.709 3.172 ( 0.000 10.594 -1.870) 10.758 3.176 ( 0.000 15.520 -1.347) 15.578 3.557 ( 0.000 14.454 2.849) 14.732 3.593 ( 0.000 -0.273 1.987) 2.006 3.718 ( 0.000 4.223 2.067) 4.701 3.852 ( 0.000 7.264 -2.339) 7.631 3.903 ( 0.000 2.408 2.370) 3.379 4.011 ( 0.000 13.398 0.149) 13.399 4.203 ( 0.000 -1.098 5.564) 5.672 4.398 ( 0.000 -1.601 0.771) 1.777 4.552 ( 0.000 3.680 0.348) 3.696 4.582 ( 0.000 10.422 2.082) 10.628 4.634 ( 0.000 -6.334 -1.978) 6.635 4.828 ( 0.000 0.750 -6.217) 6.262 4.900 ( 0.000 6.815 0.883) 6.872 4.918 ( 0.000 0.603 2.046) 2.133 5.002 ( 0.000 9.011 0.998) 9.067 5.026 ( 0.000 9.156 -4.678) 10.281 5.217 ( 0.000 5.967 4.813) 7.666 5.414 ( 0.000 6.918 2.293) 7.288 5.470 ( 0.000 0.202 -1.912) 1.923 5.471 ( 0.000 -2.878 2.015) 3.513 5.703 ( 0.000 0.874 0.576) 1.047 5.808 ( 0.000 3.182 -4.145) 5.226 6.020 ( 0.000 -7.513 4.655) 8.838 6.208 ( 0.000 -9.564 -3.422) 10.157 6.424 ( 0.000 -2.459 16.891) 17.069 6.521 ( 0.000 -2.910 7.571) 8.111 6.676 ( 0.000 -5.192 1.688) 5.459 6.991 ( 0.000 -9.418 -2.879) 9.848 7.430 ( 0.000 13.016 6.233) 14.432 7.805 ( 0.000 7.255 -6.906) 10.017 8.013 ( 0.000 6.862 2.010) 7.151 8.026 ( 0.000 -0.218 3.365) 3.373 8.212 ( 0.000 -0.836 -3.544) 3.641 8.224 ( 0.000 -4.710 -3.196) 5.692 8.265 ( 0.000 6.241 -2.753) 6.821 8.330 ( 0.000 1.728 -4.918) 5.213 8.767 ( 0.000 7.541 -0.322) 7.548 8.798 ( 0.000 4.811 -3.608) 6.013 8.983 ( 0.000 3.342 0.270) 3.353 8.984 ( 0.000 5.778 1.790) 6.049 9.000 ( 0.000 -3.658 2.264) 4.302 9.048 ( 0.000 -3.965 -1.450) 4.222 9.072 ( 0.000 3.365 -1.651) 3.748 9.134 ( 0.000 -6.197 -3.401) 7.069 9.979 ( 0.000 0.754 -6.044) 6.090 10.035 ( 0.000 -1.585 -10.264) 10.386 10.572 ( 0.000 -10.819 1.150) 10.880 10.729 ( 0.000 -9.931 -8.611) 13.144 11.907 ( 0.000 5.748 5.433) 7.909 11.980 ( 0.000 1.621 5.316) 5.558 12.027 ( 0.000 5.525 2.155) 5.930 12.045 ( 0.000 4.793 3.311) 5.826 17.347 ( 0.000 3.446 0.769) 3.531 17.367 ( 0.000 2.703 -0.201) 2.711 17.404 ( 0.000 4.118 2.744) 4.948 17.552 ( 0.000 -0.741 -4.483) 4.544 17.892 ( 0.000 -0.330 -0.298) 0.444 17.892 ( 0.000 -0.375 -0.179) 0.416 17.961 ( 0.000 -1.484 -0.436) 1.547 17.964 ( 0.000 -1.710 -0.524) 1.789 31.598 ( 0.000 0.430 0.413) 0.596 31.606 ( 0.000 -0.110 0.034) 0.115 31.617 ( 0.000 -0.056 0.175) 0.184 31.618 ( 0.000 0.065 0.262) 0.270 50.786 ( 0.000 -3.025 3.078) 4.316 50.929 ( 0.000 -8.657 -3.652) 9.396 51.031 ( 0.000 -6.586 8.916) 11.085 51.335 ( 0.000 -15.416 -6.425) 16.701 ======================= Grid point 156 (59/84) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -2.963 15.857 0.418) 16.137 3.120 ( -2.099 11.370 -4.804) 12.520 3.162 ( -1.260 17.919 -0.620) 17.974 3.204 ( -1.970 17.933 -1.466) 18.101 3.483 ( 1.201 2.853 3.434) 4.623 3.607 ( 0.483 7.384 -1.645) 7.581 3.705 ( 1.282 7.962 0.360) 8.072 3.727 ( -3.915 13.711 -1.557) 14.344 4.015 ( -0.852 7.137 7.465) 10.363 4.165 ( 7.197 -4.029 1.977) 8.481 4.223 ( 3.609 0.592 2.875) 4.651 4.383 ( -0.109 -2.057 -4.041) 4.535 4.463 ( -2.770 6.770 1.021) 7.386 4.510 ( -5.513 7.871 -1.161) 9.679 4.718 ( 4.907 -6.698 -1.910) 8.520 4.777 ( -1.846 -4.139 -5.160) 6.867 4.888 ( -2.535 2.696 1.551) 4.012 4.914 ( -0.675 0.285 1.035) 1.268 5.031 ( 2.353 8.823 2.388) 9.438 5.156 ( -1.581 11.955 6.010) 13.474 5.230 ( 11.976 3.631 -4.766) 13.392 5.300 ( -8.602 1.717 -0.828) 8.811 5.351 ( -4.895 2.435 3.012) 6.242 5.533 ( -0.588 4.366 -3.500) 5.627 5.755 ( 7.417 2.039 4.815) 9.075 5.885 ( 3.789 3.287 -1.772) 5.320 6.028 ( -0.887 -4.101 3.795) 5.657 6.138 ( -6.287 -5.858 0.626) 8.616 6.435 ( 2.964 -1.880 11.703) 12.218 6.621 ( -3.865 -4.545 5.559) 8.155 6.665 ( 9.766 -6.445 4.547) 12.553 6.970 ( -2.239 -9.633 -2.049) 10.100 7.470 ( 3.653 13.744 4.844) 15.024 7.804 ( -4.225 8.642 -6.218) 11.455 7.896 ( -3.568 10.117 1.145) 10.789 8.024 ( -2.388 0.694 0.113) 2.489 8.180 ( -0.847 -1.224 -2.623) 3.016 8.221 ( -0.797 -3.285 -2.588) 4.258 8.253 ( -0.127 -1.600 -1.365) 2.107 8.336 ( -0.463 3.153 -6.051) 6.839 8.799 ( 2.949 5.975 0.139) 6.665 8.846 ( 3.034 5.071 -2.224) 6.314 8.937 ( -2.510 2.709 0.134) 3.695 8.958 ( -2.026 3.071 0.057) 3.680 9.022 ( 1.319 -0.055 2.085) 2.468 9.062 ( 0.537 -1.593 -1.224) 2.079 9.095 ( 1.306 -0.738 -2.343) 2.783 9.135 ( -0.018 -6.550 -3.443) 7.400 10.003 ( 2.808 0.278 -2.702) 3.907 10.081 ( 2.444 0.168 -5.936) 6.421 10.548 ( -0.853 -10.299 -3.432) 10.889 10.692 ( -3.598 -10.069 -10.023) 14.656 11.910 ( 0.547 5.935 4.772) 7.635 11.990 ( -2.447 6.086 2.490) 7.017 12.002 ( 1.656 1.731 5.468) 5.970 12.052 ( -0.083 3.592 3.884) 5.291 17.350 ( 0.498 3.663 1.225) 3.894 17.385 ( 0.237 3.669 0.732) 3.749 17.405 ( 1.203 2.671 0.849) 3.050 17.523 ( -2.441 -0.081 -3.699) 4.432 17.899 ( 0.832 -0.445 -0.036) 0.944 17.909 ( 1.228 -0.805 -0.667) 1.612 17.949 ( -0.960 -1.294 -0.200) 1.624 17.959 ( -0.593 -1.681 -0.778) 1.945 31.599 ( 0.077 0.461 0.413) 0.624 31.604 ( -0.120 0.136 0.169) 0.248 31.618 ( 0.066 -0.231 0.123) 0.270 31.619 ( 0.021 -0.084 0.210) 0.227 50.807 ( 1.853 -3.036 3.655) 5.099 50.914 ( -1.683 -5.176 1.394) 5.618 51.070 ( 3.793 -10.468 2.509) 11.413 51.290 ( -3.964 -14.953 -5.712) 16.491 ======================= Grid point 157 (60/84) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -4.716 14.118 2.173) 15.042 2.998 ( 4.716 14.118 2.173) 15.042 3.168 ( -1.375 19.200 -4.159) 19.693 3.168 ( 1.375 19.200 -4.159) 19.693 3.579 ( -2.846 6.199 -1.637) 7.015 3.579 ( 2.846 6.199 -1.637) 7.015 3.706 ( -0.711 12.380 1.687) 12.515 3.706 ( 0.711 12.380 1.687) 12.515 4.067 ( -6.511 -1.625 6.230) 9.157 4.067 ( 6.511 -1.625 6.230) 9.157 4.355 ( -2.395 0.088 -4.060) 4.715 4.355 ( 2.395 0.088 -4.060) 4.715 4.466 ( -0.608 6.595 -1.390) 6.767 4.466 ( 0.608 6.595 -1.390) 6.767 4.755 ( -2.778 -3.804 1.630) 4.984 4.755 ( 2.778 -3.804 1.630) 4.984 4.883 ( -3.422 -4.802 -2.444) 6.383 4.883 ( 3.422 -4.802 -2.444) 6.383 5.091 ( -3.713 4.231 2.571) 6.188 5.091 ( 3.713 4.231 2.571) 6.188 5.241 ( -3.745 7.865 3.622) 9.434 5.241 ( 3.745 7.865 3.622) 9.434 5.459 ( -6.861 6.185 -4.696) 10.363 5.459 ( 6.861 6.185 -4.696) 10.363 5.949 ( -4.791 -0.952 3.612) 6.076 5.949 ( 4.791 -0.952 3.612) 6.076 5.973 ( -3.173 1.859 1.762) 4.077 5.973 ( 3.173 1.859 1.762) 4.077 6.526 ( -4.591 -3.093 9.065) 10.622 6.526 ( 4.591 -3.093 9.065) 10.622 6.869 ( -7.516 -9.383 0.942) 12.059 6.869 ( 7.516 -9.383 0.942) 12.059 7.603 ( -9.034 16.042 1.199) 18.450 7.603 ( 9.034 16.042 1.199) 18.450 7.946 ( -4.216 2.772 -3.762) 6.294 7.946 ( 4.217 2.772 -3.762) 6.294 8.186 ( -1.316 -3.358 -2.085) 4.166 8.186 ( 1.316 -3.358 -2.085) 4.166 8.296 ( -2.828 0.421 -3.465) 4.492 8.296 ( 2.828 0.421 -3.465) 4.492 8.867 ( -2.608 4.763 1.218) 5.565 8.867 ( 2.608 4.763 1.218) 5.565 8.914 ( -1.761 3.163 -1.981) 4.127 8.914 ( 1.761 3.163 -1.981) 4.127 9.050 ( -1.247 0.824 0.334) 1.531 9.050 ( 1.247 0.824 0.334) 1.531 9.125 ( -1.088 -6.223 -3.226) 7.093 9.125 ( 1.088 -6.223 -3.226) 7.093 10.078 ( -2.862 0.955 0.325) 3.034 10.078 ( 2.862 0.955 0.325) 3.034 10.590 ( -4.609 -10.052 -10.669) 15.366 10.590 ( 4.609 -10.052 -10.669) 15.366 11.938 ( -2.047 6.244 3.480) 7.435 11.938 ( 2.047 6.244 3.480) 7.435 12.037 ( -1.319 2.255 5.003) 5.644 12.037 ( 1.319 2.255 5.003) 5.644 17.368 ( -1.039 4.011 1.761) 4.502 17.368 ( 1.039 4.011 1.761) 4.502 17.460 ( -3.097 1.128 -2.089) 3.902 17.460 ( 3.097 1.128 -2.089) 3.902 17.923 ( -1.171 -0.806 -0.058) 1.422 17.923 ( 1.171 -0.806 -0.058) 1.422 17.939 ( -1.170 -1.449 -0.883) 2.061 17.939 ( 1.170 -1.449 -0.883) 2.061 31.601 ( -0.135 0.411 0.347) 0.554 31.601 ( 0.135 0.411 0.347) 0.554 31.619 ( -0.027 -0.293 0.126) 0.320 31.619 ( 0.027 -0.293 0.126) 0.320 50.861 ( -2.856 -3.234 4.167) 5.998 50.861 ( 2.856 -3.234 4.167) 5.998 51.180 ( -5.697 -13.556 -3.280) 15.066 51.180 ( 5.697 -13.556 -3.280) 15.066 ======================= Grid point 160 (61/84) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 0.000 6.299 -1.699) 6.524 3.306 ( 0.000 4.796 -3.786) 6.110 3.346 ( 0.000 6.725 6.024) 9.029 3.472 ( 0.000 -1.488 5.656) 5.848 3.576 ( 0.000 11.893 -2.099) 12.076 3.744 ( 0.000 3.065 -5.969) 6.710 3.790 ( 0.000 1.708 -0.068) 1.710 3.832 ( 0.000 -5.785 0.863) 5.849 4.032 ( 0.000 7.053 1.126) 7.142 4.132 ( 0.000 -2.731 -0.672) 2.812 4.275 ( 0.000 8.477 1.531) 8.614 4.366 ( 0.000 -1.393 -0.632) 1.530 4.519 ( 0.000 -4.111 -1.832) 4.501 4.520 ( 0.000 -3.555 -1.105) 3.722 4.770 ( 0.000 5.829 1.589) 6.041 4.836 ( 0.000 -1.600 -1.920) 2.499 4.987 ( 0.000 8.217 3.626) 8.981 5.059 ( 0.000 5.202 3.084) 6.047 5.140 ( 0.000 3.600 0.720) 3.671 5.143 ( 0.000 1.297 3.782) 3.998 5.330 ( 0.000 3.765 0.950) 3.883 5.429 ( 0.000 -3.721 -1.814) 4.139 5.440 ( 0.000 3.864 4.409) 5.863 5.528 ( 0.000 1.553 -1.177) 1.948 5.694 ( 0.000 -0.165 2.058) 2.065 5.774 ( 0.000 -5.686 -0.345) 5.697 5.928 ( 0.000 -0.423 -1.476) 1.536 6.005 ( 0.000 -8.637 -4.078) 9.551 6.395 ( 0.000 0.489 12.518) 12.528 6.441 ( 0.000 -3.834 8.621) 9.435 6.614 ( 0.000 0.905 3.476) 3.591 6.748 ( 0.000 -11.674 1.147) 11.730 7.688 ( 0.000 10.745 -1.571) 10.859 7.825 ( 0.000 -3.264 -5.218) 6.155 8.046 ( 0.000 2.073 2.360) 3.142 8.083 ( 0.000 -0.281 0.375) 0.469 8.158 ( 0.000 -1.470 -2.818) 3.178 8.161 ( 0.000 -1.649 -3.462) 3.835 8.388 ( 0.000 3.373 -4.976) 6.011 8.391 ( 0.000 2.804 -5.262) 5.962 8.847 ( 0.000 0.220 -2.322) 2.332 8.850 ( 0.000 -0.026 -2.707) 2.707 8.955 ( 0.000 0.076 -0.406) 0.413 9.003 ( 0.000 -3.551 -1.941) 4.047 9.028 ( 0.000 1.852 3.488) 3.949 9.032 ( 0.000 2.045 2.281) 3.063 9.198 ( 0.000 8.230 -5.144) 9.705 9.227 ( 0.000 6.100 -6.580) 8.973 9.996 ( 0.000 -1.172 -4.716) 4.859 10.000 ( 0.000 0.043 -4.578) 4.579 10.417 ( 0.000 -1.888 2.229) 2.921 10.520 ( 0.000 -9.842 -4.454) 10.803 11.981 ( 0.000 1.949 4.945) 5.315 11.997 ( 0.000 0.132 5.372) 5.373 12.100 ( 0.000 1.870 1.476) 2.382 12.105 ( 0.000 1.341 1.830) 2.269 17.395 ( 0.000 1.295 0.683) 1.464 17.400 ( 0.000 0.695 0.345) 0.776 17.475 ( 0.000 2.983 0.718) 3.068 17.524 ( 0.000 -1.971 -1.631) 2.558 17.887 ( 0.000 -0.135 -0.244) 0.278 17.887 ( 0.000 -0.132 -0.211) 0.248 17.941 ( 0.000 -0.557 -0.427) 0.702 17.941 ( 0.000 -0.553 -0.428) 0.699 31.602 ( 0.000 0.054 0.306) 0.311 31.603 ( 0.000 -0.094 0.205) 0.226 31.620 ( 0.000 0.245 0.629) 0.675 31.622 ( 0.000 0.117 0.640) 0.650 50.762 ( 0.000 0.331 0.614) 0.697 50.802 ( 0.000 -4.004 -1.348) 4.225 50.976 ( 0.000 1.376 2.652) 2.987 51.086 ( 0.000 -9.320 -2.784) 9.727 ======================= Grid point 161 (62/84) ======================= q-point: ( 0.25 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -1.387 9.683 0.337) 9.788 3.304 ( -1.750 7.471 1.104) 7.752 3.342 ( -0.678 1.211 1.129) 1.790 3.433 ( -2.875 -4.119 4.433) 6.700 3.611 ( 5.681 15.676 -2.592) 16.874 3.728 ( 1.562 4.664 -6.447) 8.109 3.855 ( 3.326 4.769 0.645) 5.850 3.919 ( 1.821 1.594 -1.461) 2.827 4.058 ( 3.869 -1.947 3.230) 5.403 4.123 ( -2.327 -5.745 3.630) 7.183 4.165 ( -7.347 6.148 1.861) 9.759 4.298 ( -5.133 -5.607 -3.508) 8.372 4.554 ( 3.494 0.708 0.347) 3.581 4.582 ( 6.007 -3.650 -1.564) 7.201 4.738 ( -1.607 5.881 -1.229) 6.219 4.764 ( -4.377 2.916 -2.439) 5.798 4.899 ( -7.290 3.669 2.802) 8.628 4.989 ( -5.475 5.548 -0.788) 7.834 5.074 ( -5.378 -4.314 3.712) 7.830 5.153 ( -4.480 -6.540 -1.228) 8.022 5.365 ( 3.429 5.156 4.588) 7.707 5.387 ( 5.869 5.964 3.420) 9.039 5.475 ( 0.205 7.682 1.425) 7.816 5.590 ( 1.810 -0.623 -2.603) 3.231 5.778 ( 6.944 2.485 3.792) 8.293 5.886 ( 5.953 -5.762 -0.076) 8.285 5.931 ( 0.134 -1.188 -0.379) 1.254 5.987 ( -2.010 -6.987 -1.321) 7.389 6.431 ( 3.601 2.103 9.378) 10.263 6.519 ( 6.157 -6.498 6.775) 11.226 6.585 ( -2.287 2.203 4.441) 5.459 6.731 ( -1.744 -11.545 1.602) 11.785 7.728 ( 3.818 9.910 -1.771) 10.767 7.844 ( 1.893 -2.484 -4.609) 5.567 8.003 ( -4.160 2.400 0.698) 4.853 8.030 ( -4.678 -0.387 -0.335) 4.706 8.153 ( 0.296 -0.078 -2.184) 2.205 8.186 ( 2.850 -1.978 -3.483) 4.916 8.316 ( -4.982 5.478 -4.302) 8.563 8.379 ( -2.665 -0.189 -6.289) 6.833 8.871 ( 2.530 1.658 -1.496) 3.375 8.907 ( 3.123 -1.027 -2.925) 4.400 8.955 ( -0.214 -0.405 -0.782) 0.906 8.986 ( -1.391 0.081 -0.417) 1.454 9.023 ( 0.579 1.025 1.124) 1.627 9.053 ( 1.546 0.497 1.383) 2.133 9.132 ( -3.689 6.619 -2.303) 7.920 9.194 ( -3.590 2.521 -5.250) 6.841 10.041 ( 5.270 3.779 -1.777) 6.724 10.104 ( 6.356 0.362 -6.187) 8.878 10.377 ( -3.161 -3.595 0.291) 4.796 10.477 ( -4.008 -10.376 -5.440) 12.382 11.991 ( 1.037 2.435 4.479) 5.203 12.016 ( 1.555 -0.233 5.115) 5.351 12.074 ( -1.991 2.452 1.903) 3.688 12.093 ( -1.267 0.520 2.550) 2.894 17.404 ( 0.946 1.730 0.760) 2.113 17.419 ( 1.564 0.227 0.004) 1.580 17.462 ( -1.072 2.741 0.757) 3.039 17.506 ( -1.592 -1.576 -1.311) 2.596 17.894 ( 0.682 -0.057 -0.188) 0.710 17.897 ( 0.808 -0.391 -0.384) 0.977 17.932 ( -0.699 -0.346 -0.326) 0.845 17.935 ( -0.575 -0.684 -0.511) 1.030 31.605 ( 0.207 0.125 0.355) 0.430 31.606 ( 0.215 -0.009 0.300) 0.369 31.618 ( -0.210 0.160 0.564) 0.622 31.619 ( -0.209 0.035 0.576) 0.613 50.788 ( 2.388 1.056 0.943) 2.776 50.840 ( 3.007 -3.447 -1.631) 4.857 50.949 ( -2.075 -0.183 2.350) 3.141 51.048 ( -3.288 -9.036 -2.551) 9.948 ======================= Grid point 162 (63/84) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -1.938 10.107 3.179) 10.771 3.242 ( 1.938 10.107 3.179) 10.771 3.370 ( -2.591 -0.630 -0.950) 2.831 3.370 ( 2.591 -0.630 -0.950) 2.831 3.756 ( -3.828 11.925 -1.709) 12.640 3.756 ( 3.829 11.925 -1.709) 12.640 3.894 ( -0.973 2.736 -0.572) 2.960 3.894 ( 0.973 2.736 -0.572) 2.960 4.040 ( -1.114 2.190 2.982) 3.864 4.040 ( 1.114 2.190 2.982) 3.864 4.199 ( -4.787 -10.301 -1.214) 11.424 4.199 ( 4.787 -10.301 -1.214) 11.424 4.669 ( -4.757 3.381 1.593) 6.049 4.669 ( 4.757 3.381 1.593) 6.049 4.709 ( -3.226 -0.811 -1.807) 3.786 4.709 ( 3.226 -0.811 -1.807) 3.786 4.833 ( -6.923 6.372 -1.889) 9.597 4.833 ( 6.923 6.372 -1.889) 9.597 5.033 ( -3.161 -8.449 0.501) 9.035 5.033 ( 3.161 -8.449 0.501) 9.035 5.443 ( -2.436 10.074 4.701) 11.381 5.443 ( 2.436 10.074 4.701) 11.381 5.556 ( -5.321 0.790 0.032) 5.379 5.556 ( 5.321 0.790 0.032) 5.379 5.901 ( -3.819 -0.942 2.276) 4.544 5.901 ( 3.819 -0.942 2.276) 4.544 5.951 ( -0.818 -3.690 -0.243) 3.787 5.951 ( 0.818 -3.690 -0.243) 3.787 6.520 ( -3.776 3.205 6.545) 8.208 6.520 ( 3.776 3.205 6.545) 8.208 6.657 ( -5.343 -9.959 3.406) 11.804 6.657 ( 5.343 -9.959 3.406) 11.804 7.849 ( -6.000 7.280 -1.824) 9.609 7.849 ( 6.000 7.280 -1.824) 9.609 7.931 ( -3.080 -2.477 -2.177) 4.512 7.931 ( 3.080 -2.477 -2.177) 4.512 8.196 ( -3.627 4.455 -3.071) 6.514 8.196 ( 3.627 4.455 -3.071) 6.514 8.289 ( -4.701 -2.723 -4.843) 7.278 8.289 ( 4.701 -2.723 -4.843) 7.278 8.921 ( -1.696 1.434 -1.108) 2.482 8.921 ( 1.696 1.434 -1.108) 2.482 8.962 ( -1.019 -1.432 -0.934) 1.990 8.962 ( 1.019 -1.432 -0.934) 1.990 9.062 ( -2.716 3.377 -0.937) 4.434 9.062 ( 2.716 3.377 -0.937) 4.434 9.110 ( -3.494 0.616 -1.257) 3.764 9.110 ( 3.494 0.616 -1.257) 3.764 10.162 ( -3.610 7.781 -0.845) 8.619 10.162 ( 3.610 7.781 -0.845) 8.619 10.367 ( -4.443 -11.658 -6.413) 14.028 10.367 ( 4.443 -11.658 -6.413) 14.028 12.026 ( -2.133 2.792 3.321) 4.835 12.026 ( 2.133 2.792 3.321) 4.835 12.056 ( -1.949 -0.266 3.910) 4.377 12.056 ( 1.949 -0.266 3.910) 4.377 17.432 ( -1.442 2.356 0.728) 2.857 17.432 ( 1.442 2.356 0.728) 2.857 17.463 ( -2.130 -0.739 -0.578) 2.328 17.463 ( 2.130 -0.739 -0.578) 2.328 17.913 ( -0.949 -0.144 -0.242) 0.990 17.913 ( 0.949 -0.144 -0.242) 0.990 17.918 ( -0.950 -0.643 -0.509) 1.255 17.918 ( 0.950 -0.643 -0.509) 1.255 31.609 ( -0.104 0.344 0.494) 0.611 31.609 ( 0.104 0.344 0.494) 0.611 31.615 ( -0.109 -0.194 0.411) 0.467 31.615 ( 0.109 -0.194 0.411) 0.467 50.853 ( -2.862 2.481 1.004) 3.918 50.853 ( 2.862 2.481 1.004) 3.918 50.960 ( -4.011 -8.283 -1.460) 9.318 50.960 ( 4.011 -8.283 -1.460) 9.318 ======================= Grid point 195 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 0.000 -23.905) 23.905 1.565 ( 0.000 0.000 23.905) 23.905 1.679 ( 0.000 0.000 -26.176) 26.176 1.679 ( 0.000 0.000 26.176) 26.176 2.822 ( 0.000 0.000 -8.330) 8.330 2.822 ( 0.000 0.000 8.330) 8.330 3.076 ( 0.000 0.000 -0.698) 0.698 3.076 ( 0.000 0.000 0.698) 0.698 3.392 ( 0.000 0.000 -3.886) 3.886 3.392 ( 0.000 0.000 3.886) 3.886 3.558 ( 0.000 0.000 -33.852) 33.852 3.558 ( 0.000 0.000 33.852) 33.852 3.663 ( 0.000 0.000 -11.624) 11.624 3.663 ( 0.000 0.000 11.624) 11.624 4.179 ( 0.000 0.000 -6.651) 6.651 4.179 ( 0.000 0.000 6.651) 6.651 4.297 ( 0.000 0.000 -8.556) 8.556 4.297 ( 0.000 0.000 8.556) 8.556 4.803 ( 0.000 0.000 -4.067) 4.067 4.803 ( 0.000 0.000 4.067) 4.067 4.858 ( 0.000 0.000 -0.603) 0.603 4.858 ( 0.000 0.000 0.603) 0.603 5.060 ( 0.000 0.000 -5.971) 5.971 5.060 ( 0.000 0.000 5.971) 5.971 5.515 ( 0.000 0.000 -3.350) 3.350 5.515 ( 0.000 0.000 3.350) 3.350 5.573 ( 0.000 0.000 -1.543) 1.543 5.573 ( 0.000 0.000 1.543) 1.543 5.852 ( 0.000 0.000 -0.600) 0.600 5.852 ( 0.000 0.000 0.600) 0.600 6.485 ( 0.000 0.000 -10.575) 10.575 6.485 ( 0.000 0.000 10.575) 10.575 6.835 ( 0.000 0.000 -10.017) 10.017 6.835 ( 0.000 0.000 10.017) 10.017 7.868 ( 0.000 0.000 -4.634) 4.634 7.868 ( 0.000 0.000 4.634) 4.634 8.814 ( 0.000 0.000 -1.584) 1.584 8.814 ( 0.000 0.000 1.584) 1.584 8.862 ( 0.000 0.000 -9.184) 9.184 8.862 ( 0.000 0.000 9.184) 9.184 8.901 ( 0.000 0.000 -1.021) 1.021 8.901 ( 0.000 0.000 1.021) 1.021 8.978 ( 0.000 0.000 -6.068) 6.068 8.978 ( 0.000 0.000 6.068) 6.068 9.494 ( 0.000 0.000 -1.147) 1.147 9.494 ( 0.000 0.000 1.147) 1.147 10.034 ( 0.000 0.000 -10.671) 10.671 10.034 ( 0.000 0.000 10.671) 10.671 10.596 ( 0.000 0.000 -0.279) 0.279 10.596 ( 0.000 0.000 0.279) 0.279 10.622 ( 0.000 0.000 -0.044) 0.044 10.622 ( 0.000 0.000 0.044) 0.044 11.023 ( 0.000 0.000 -8.247) 8.247 11.023 ( 0.000 0.000 8.247) 8.247 11.462 ( 0.000 0.000 -16.271) 16.271 11.462 ( 0.000 0.000 16.271) 16.271 16.873 ( 0.000 0.000 -0.282) 0.282 16.873 ( 0.000 0.000 0.282) 0.282 16.883 ( 0.000 0.000 -0.335) 0.335 16.883 ( 0.000 0.000 0.335) 0.335 17.929 ( 0.000 0.000 -0.225) 0.225 17.929 ( 0.000 0.000 0.225) 0.225 18.172 ( 0.000 0.000 -1.919) 1.919 18.172 ( 0.000 0.000 1.919) 1.919 31.673 ( 0.000 0.000 -0.049) 0.049 31.673 ( 0.000 0.000 0.049) 0.049 31.756 ( 0.000 0.000 -1.941) 1.941 31.756 ( 0.000 0.000 1.941) 1.941 51.838 ( 0.000 0.000 -10.473) 10.473 51.838 ( 0.000 0.000 10.473) 10.473 53.039 ( 0.000 0.000 -0.797) 0.797 53.039 ( 0.000 0.000 0.797) 0.797 ======================= Grid point 197 (65/84) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.817 0.000 -17.908) 18.000 1.586 ( 1.817 0.000 17.908) 18.000 1.777 ( 7.956 0.000 -21.417) 22.847 1.777 ( 7.956 0.000 21.417) 22.847 2.664 ( -11.556 0.000 -10.348) 15.512 2.664 ( -11.556 0.000 10.348) 15.512 2.805 ( -17.767 0.000 -19.766) 26.578 2.805 ( -17.767 0.000 19.766) 26.578 3.386 ( 7.983 0.000 -15.012) 17.003 3.386 ( 7.983 0.000 15.012) 17.003 3.793 ( 9.638 0.000 -10.463) 14.226 3.793 ( 9.638 0.000 10.463) 14.226 3.839 ( 8.391 0.000 -23.093) 24.570 3.839 ( 8.391 0.000 23.093) 24.570 4.137 ( -3.996 0.000 -7.127) 8.171 4.137 ( -3.996 0.000 7.127) 8.171 4.362 ( 5.878 0.000 -12.793) 14.079 4.362 ( 5.878 0.000 12.793) 14.079 4.615 ( -10.683 0.000 -12.687) 16.586 4.615 ( -10.683 0.000 12.687) 16.586 4.844 ( -1.013 0.000 -0.367) 1.078 4.844 ( -1.013 0.000 0.367) 1.078 5.135 ( 3.370 0.000 -7.542) 8.261 5.135 ( 3.370 0.000 7.542) 8.261 5.498 ( -5.621 0.000 -1.545) 5.830 5.498 ( -5.621 0.000 1.545) 5.830 5.518 ( 0.281 0.000 -2.330) 2.347 5.518 ( 0.281 0.000 2.330) 2.347 5.908 ( 3.828 0.000 -1.866) 4.258 5.908 ( 3.828 0.000 1.866) 4.258 6.510 ( 1.793 0.000 -11.402) 11.542 6.510 ( 1.793 0.000 11.402) 11.542 6.951 ( 9.379 0.000 -9.357) 13.248 6.951 ( 9.379 0.000 9.357) 13.248 7.726 ( -11.515 0.000 -8.277) 14.182 7.726 ( -11.515 0.000 8.277) 14.182 8.813 ( -1.782 0.000 -3.192) 3.656 8.813 ( -1.782 0.000 3.192) 3.656 8.814 ( 0.027 0.000 -1.130) 1.130 8.814 ( 0.027 0.000 1.130) 1.130 8.900 ( -0.034 0.000 -0.732) 0.733 8.900 ( -0.034 0.000 0.732) 0.733 8.955 ( -1.528 0.000 -3.082) 3.440 8.955 ( -1.528 0.000 3.082) 3.440 9.708 ( 13.127 0.000 -5.291) 14.154 9.708 ( 13.127 0.000 5.291) 14.154 10.019 ( 0.126 0.000 -10.577) 10.578 10.019 ( 0.126 0.000 10.577) 10.578 10.600 ( 0.321 0.000 -0.270) 0.419 10.600 ( 0.321 0.000 0.270) 0.419 10.619 ( -0.316 0.000 -0.140) 0.346 10.619 ( -0.316 0.000 0.140) 0.346 11.001 ( -2.807 0.000 -11.352) 11.694 11.001 ( -2.807 0.000 11.352) 11.694 11.421 ( -2.422 0.000 -14.269) 14.473 11.421 ( -2.422 0.000 14.269) 14.473 16.873 ( 0.005 0.000 -0.202) 0.203 16.873 ( 0.005 0.000 0.202) 0.203 16.882 ( -0.005 0.000 -0.240) 0.240 16.882 ( -0.005 0.000 0.240) 0.240 17.968 ( 3.164 0.000 -1.021) 3.325 17.968 ( 3.164 0.000 1.021) 3.325 18.150 ( -1.870 0.000 -1.986) 2.728 18.150 ( -1.870 0.000 1.986) 2.728 31.642 ( -1.634 0.000 -0.714) 1.783 31.642 ( -1.634 0.000 0.714) 1.783 31.788 ( 1.714 0.000 -0.795) 1.890 31.788 ( 1.714 0.000 0.795) 1.890 51.893 ( 4.549 0.000 -9.825) 10.827 51.893 ( 4.549 0.000 9.825) 10.827 52.885 ( -11.555 0.000 -4.556) 12.421 52.885 ( -11.555 0.000 4.556) 12.421 ======================= Grid point 199 (66/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.908 ( -0.000 0.000 -0.000) 0.000 1.908 ( 0.000 0.000 -0.000) 0.000 2.490 ( -0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 -0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.980 ( -0.000 0.000 -0.000) 0.000 3.980 ( 0.000 0.000 -0.000) 0.000 4.020 ( -0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.478 ( -0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 -0.000) 0.000 4.481 ( 0.000 0.000 -0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 -0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 -0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 -0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.607 ( -0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.611 ( -0.000 0.000 -0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 -0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 16.873 ( 0.000 0.000 0.000) 0.000 16.873 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 0.000) 0.000 18.022 ( 0.000 0.000 -0.000) 0.000 18.115 ( -0.000 0.000 0.000) 0.000 18.115 ( 0.000 0.000 0.000) 0.000 31.623 ( 0.000 0.000 0.000) 0.000 31.623 ( 0.000 0.000 0.000) 0.000 31.808 ( 0.000 0.000 0.000) 0.000 31.808 ( 0.000 0.000 0.000) 0.000 51.967 ( 0.000 0.000 0.000) 0.000 51.967 ( 0.000 0.000 0.000) 0.000 52.717 ( 0.000 0.000 0.000) 0.000 52.717 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (67/84) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 9.736 -14.062) 17.103 1.655 ( 0.000 9.736 14.062) 17.103 1.845 ( 0.000 14.021 -17.055) 22.079 1.845 ( 0.000 14.021 17.055) 22.079 2.930 ( 0.000 7.682 -8.879) 11.741 2.930 ( 0.000 7.682 8.879) 11.741 3.085 ( 0.000 2.702 -9.604) 9.977 3.085 ( 0.000 2.702 9.604) 9.977 3.455 ( 0.000 7.101 -6.681) 9.750 3.455 ( 0.000 7.101 6.681) 9.750 3.563 ( 0.000 3.106 -14.473) 14.803 3.563 ( 0.000 3.106 14.473) 14.803 3.828 ( 0.000 12.864 -1.532) 12.954 3.828 ( 0.000 12.864 1.532) 12.954 4.168 ( 0.000 1.750 -0.388) 1.793 4.168 ( 0.000 1.750 0.388) 1.793 4.416 ( 0.000 8.559 -5.673) 10.269 4.416 ( 0.000 8.559 5.673) 10.269 4.776 ( 0.000 -1.775 -5.112) 5.411 4.776 ( 0.000 -1.775 5.112) 5.411 4.959 ( 0.000 8.356 -0.897) 8.404 4.959 ( 0.000 8.356 0.897) 8.404 5.080 ( 0.000 2.491 -5.001) 5.588 5.080 ( 0.000 2.491 5.001) 5.588 5.500 ( 0.000 2.142 -2.348) 3.178 5.500 ( 0.000 2.142 2.348) 3.178 5.680 ( 0.000 3.674 -7.257) 8.134 5.680 ( 0.000 3.674 7.257) 8.134 5.980 ( 0.000 15.753 -0.251) 15.755 5.980 ( 0.000 15.753 0.251) 15.755 6.471 ( 0.000 -1.196 -9.967) 10.039 6.471 ( 0.000 -1.196 9.967) 10.039 6.823 ( 0.000 -1.017 -9.789) 9.842 6.823 ( 0.000 -1.017 9.789) 9.842 7.849 ( 0.000 -1.637 -4.528) 4.815 7.849 ( 0.000 -1.637 4.528) 4.815 8.683 ( 0.000 -8.718 -3.839) 9.526 8.683 ( 0.000 -8.718 3.839) 9.526 8.819 ( 0.000 -4.788 -0.185) 4.792 8.819 ( 0.000 -4.788 0.185) 4.792 8.945 ( 0.000 2.369 -6.928) 7.322 8.945 ( 0.000 2.369 6.928) 7.322 9.020 ( 0.000 1.303 -4.161) 4.360 9.020 ( 0.000 1.303 4.161) 4.360 9.503 ( 0.000 1.400 -4.108) 4.340 9.503 ( 0.000 1.400 4.108) 4.340 9.856 ( 0.000 -13.706 -8.546) 16.152 9.856 ( 0.000 -13.706 8.546) 16.152 10.500 ( 0.000 -10.842 -2.586) 11.146 10.500 ( 0.000 -10.842 2.586) 11.146 10.805 ( 0.000 14.540 -3.070) 14.860 10.805 ( 0.000 14.540 3.070) 14.860 11.050 ( 0.000 2.932 -6.276) 6.927 11.050 ( 0.000 2.932 6.276) 6.927 11.503 ( 0.000 4.649 -14.617) 15.339 11.503 ( 0.000 4.649 14.617) 15.339 16.917 ( 0.000 4.041 -0.577) 4.082 16.917 ( 0.000 4.041 0.577) 4.082 16.959 ( 0.000 7.210 -3.006) 7.812 16.959 ( 0.000 7.210 3.006) 7.812 17.926 ( 0.000 -0.251 -0.219) 0.333 17.926 ( 0.000 -0.251 0.219) 0.333 18.154 ( 0.000 -1.718 -1.724) 2.434 18.154 ( 0.000 -1.718 1.724) 2.434 31.659 ( 0.000 -1.320 -0.270) 1.347 31.659 ( 0.000 -1.320 0.270) 1.347 31.728 ( 0.000 -2.403 -1.876) 3.049 31.728 ( 0.000 -2.403 1.876) 3.049 51.757 ( 0.000 -7.843 -10.369) 13.001 51.757 ( 0.000 -7.843 10.369) 13.001 52.827 ( 0.000 -19.387 -6.802) 20.545 52.827 ( 0.000 -19.387 6.802) 20.545 ======================= Grid point 207 (68/84) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.943 8.142 -11.950) 14.491 1.658 ( 0.943 8.142 11.950) 14.491 1.923 ( 5.384 12.200 -16.428) 21.159 1.923 ( 5.384 12.200 16.428) 21.159 2.726 ( -12.394 5.225 -9.609) 16.530 2.726 ( -12.394 5.225 9.609) 16.530 2.926 ( -12.657 11.544 -10.383) 20.032 2.926 ( -12.657 11.544 10.383) 20.032 3.427 ( 4.768 4.212 -5.809) 8.615 3.427 ( 4.768 4.212 5.809) 8.615 3.760 ( 9.877 2.001 -9.503) 13.851 3.760 ( 9.877 2.001 9.503) 13.851 4.010 ( 7.996 11.876 -2.647) 14.560 4.010 ( 7.996 11.876 2.647) 14.560 4.162 ( -0.823 2.834 -11.635) 12.004 4.162 ( -0.823 2.834 11.635) 12.004 4.441 ( 2.704 6.789 -6.849) 10.016 4.441 ( 2.704 6.789 6.849) 10.016 4.637 ( -8.202 2.410 -10.771) 13.751 4.637 ( -8.202 2.410 10.771) 13.751 4.948 ( -0.448 9.048 -1.051) 9.120 4.948 ( -0.448 9.048 1.051) 9.120 5.150 ( 4.097 1.934 -6.436) 7.870 5.150 ( 4.097 1.934 6.436) 7.870 5.480 ( -2.219 1.502 -2.707) 3.809 5.480 ( -2.219 1.502 2.707) 3.809 5.598 ( -5.424 2.961 -5.188) 8.069 5.598 ( -5.424 2.961 5.188) 8.069 6.023 ( 2.904 12.866 -2.115) 13.358 6.023 ( 2.904 12.866 2.115) 13.358 6.496 ( 1.630 -1.002 -10.494) 10.667 6.496 ( 1.630 -1.002 10.494) 10.667 6.941 ( 9.699 -0.778 -9.498) 13.598 6.941 ( 9.699 -0.778 9.498) 13.598 7.695 ( -12.360 -2.719 -8.392) 15.185 7.695 ( -12.360 -2.719 8.392) 15.185 8.697 ( 1.408 -6.543 -2.443) 7.125 8.697 ( 1.408 -6.543 2.443) 7.125 8.816 ( -0.218 -5.026 -1.786) 5.338 8.816 ( -0.218 -5.026 1.786) 5.338 8.914 ( -1.856 2.775 -4.116) 5.299 8.914 ( -1.856 2.775 4.116) 5.299 8.990 ( -1.400 1.450 -3.036) 3.644 8.990 ( -1.400 1.450 3.036) 3.644 9.673 ( 8.384 -3.690 -5.516) 10.692 9.673 ( 8.384 -3.690 5.516) 10.692 9.882 ( 4.830 -10.196 -8.647) 14.214 9.882 ( 4.830 -10.196 8.647) 14.214 10.506 ( 0.542 -10.190 -2.396) 10.481 10.506 ( 0.542 -10.190 2.396) 10.481 10.761 ( -3.527 10.584 -1.479) 11.254 10.761 ( -3.527 10.584 1.479) 11.254 11.037 ( -1.822 4.624 -7.778) 9.230 11.037 ( -1.822 4.624 7.778) 9.230 11.483 ( -1.074 6.247 -11.926) 13.506 11.483 ( -1.074 6.247 11.926) 13.506 16.919 ( 0.214 4.306 -0.606) 4.354 16.919 ( 0.214 4.306 0.606) 4.354 16.953 ( -0.517 6.607 -2.214) 6.987 16.953 ( -0.517 6.607 2.214) 6.987 17.964 ( 3.004 -0.462 -0.960) 3.187 17.964 ( 3.004 -0.462 0.960) 3.187 18.133 ( -1.820 -1.653 -1.815) 3.056 18.133 ( -1.820 -1.653 1.815) 3.056 31.632 ( -1.423 -0.925 -0.687) 1.831 31.632 ( -1.423 -0.925 0.687) 1.831 31.758 ( 1.610 -2.690 -0.807) 3.237 31.758 ( 1.610 -2.690 0.807) 3.237 51.804 ( 3.784 -8.609 -9.471) 13.346 51.804 ( 3.784 -8.609 9.471) 13.346 52.707 ( -9.018 -16.496 -7.796) 20.353 52.707 ( -9.018 -16.496 7.796) 20.353 ======================= Grid point 209 (69/84) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 7.113 0.000) 7.113 1.684 ( 0.000 7.113 0.000) 7.113 1.984 ( -0.000 6.878 -0.000) 6.878 1.984 ( 0.000 6.878 -0.000) 6.878 2.637 ( -0.000 12.943 0.000) 12.943 2.637 ( 0.000 12.943 0.000) 12.943 2.690 ( -0.000 10.348 0.000) 10.348 2.690 ( 0.000 10.348 0.000) 10.348 3.541 ( 0.000 0.165 -0.000) 0.165 3.541 ( 0.000 0.165 0.000) 0.165 3.855 ( 0.000 3.761 0.000) 3.761 3.855 ( 0.000 3.761 0.000) 3.761 4.093 ( -0.000 10.035 -0.000) 10.035 4.093 ( 0.000 10.035 0.000) 10.035 4.117 ( -0.000 6.524 -0.000) 6.524 4.117 ( 0.000 6.524 0.000) 6.524 4.522 ( 0.000 3.980 0.000) 3.980 4.522 ( -0.000 3.980 0.000) 3.980 4.523 ( 0.000 4.717 -0.000) 4.717 4.523 ( 0.000 4.717 -0.000) 4.717 4.945 ( 0.000 10.441 0.000) 10.441 4.945 ( 0.000 10.441 0.000) 10.441 5.215 ( 0.000 4.316 -0.000) 4.316 5.215 ( 0.000 4.316 0.000) 4.316 5.418 ( 0.000 1.065 0.000) 1.065 5.418 ( 0.000 1.065 0.000) 1.065 5.538 ( 0.000 -0.125 -0.000) 0.125 5.538 ( 0.000 -0.125 0.000) 0.125 6.062 ( 0.000 11.279 0.000) 11.279 6.062 ( 0.000 11.279 0.000) 11.279 6.516 ( 0.000 -1.354 0.000) 1.354 6.516 ( 0.000 -1.354 0.000) 1.354 7.117 ( 0.000 0.513 0.000) 0.513 7.117 ( 0.000 0.513 0.000) 0.513 7.482 ( 0.000 -4.415 0.000) 4.415 7.482 ( 0.000 -4.415 0.000) 4.415 8.722 ( 0.000 -4.761 0.000) 4.761 8.722 ( 0.000 -4.761 0.000) 4.761 8.813 ( 0.000 -6.055 -0.000) 6.055 8.813 ( 0.000 -6.055 0.000) 6.055 8.893 ( 0.000 3.339 0.000) 3.339 8.893 ( 0.000 3.339 0.000) 3.339 8.973 ( 0.000 1.550 0.000) 1.550 8.973 ( 0.000 1.550 0.000) 1.550 9.732 ( 0.000 -9.691 0.000) 9.691 9.732 ( 0.000 -9.691 0.000) 9.691 10.007 ( 0.000 -5.426 0.000) 5.426 10.007 ( 0.000 -5.426 0.000) 5.426 10.518 ( 0.000 -8.949 0.000) 8.949 10.518 ( 0.000 -8.949 0.000) 8.949 10.699 ( 0.000 5.706 0.000) 5.706 10.699 ( 0.000 5.706 0.000) 5.706 11.001 ( 0.000 7.463 0.000) 7.463 11.001 ( 0.000 7.463 0.000) 7.463 11.474 ( 0.000 7.427 0.000) 7.427 11.474 ( 0.000 7.427 0.000) 7.427 16.923 ( 0.000 4.741 0.000) 4.741 16.923 ( 0.000 4.741 0.000) 4.741 16.945 ( 0.000 5.855 -0.000) 5.855 16.945 ( 0.000 5.855 0.000) 5.855 18.015 ( 0.000 -0.652 0.000) 0.652 18.015 ( 0.000 -0.652 -0.000) 0.652 18.098 ( -0.000 -1.605 0.000) 1.605 18.098 ( 0.000 -1.605 0.000) 1.605 31.616 ( 0.000 -0.678 0.000) 0.678 31.616 ( 0.000 -0.678 0.000) 0.678 31.777 ( 0.000 -2.832 0.000) 2.832 31.777 ( 0.000 -2.832 0.000) 2.832 51.864 ( 0.000 -9.798 0.000) 9.798 51.864 ( 0.000 -9.798 0.000) 9.798 52.576 ( 0.000 -13.329 0.000) 13.329 52.576 ( 0.000 -13.329 0.000) 13.329 ======================= Grid point 215 (70/84) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 18.267 -4.170) 18.737 1.944 ( 0.000 18.267 4.170) 18.737 2.160 ( 0.000 16.443 -8.317) 18.426 2.160 ( 0.000 16.443 8.317) 18.426 3.006 ( 0.000 2.611 -1.861) 3.207 3.006 ( 0.000 2.611 1.861) 3.207 3.261 ( 0.000 12.007 -5.342) 13.142 3.261 ( 0.000 12.007 5.342) 13.142 3.611 ( 0.000 5.979 -9.750) 11.438 3.611 ( 0.000 5.979 9.750) 11.438 3.741 ( 0.000 14.855 -3.026) 15.160 3.741 ( 0.000 14.855 3.026) 15.160 4.104 ( 0.000 13.124 -7.485) 15.108 4.104 ( 0.000 13.124 7.485) 15.108 4.302 ( 0.000 12.291 -16.719) 20.751 4.302 ( 0.000 12.291 16.719) 20.751 4.567 ( 0.000 5.361 -1.607) 5.596 4.567 ( 0.000 5.361 1.607) 5.596 4.778 ( 0.000 3.050 -8.401) 8.937 4.778 ( 0.000 3.050 8.401) 8.937 5.068 ( 0.000 2.501 -0.733) 2.606 5.068 ( 0.000 2.501 0.733) 2.606 5.180 ( 0.000 5.211 -2.698) 5.868 5.180 ( 0.000 5.211 2.698) 5.868 5.600 ( 0.000 3.950 -2.828) 4.858 5.600 ( 0.000 3.950 2.828) 4.858 5.772 ( 0.000 11.641 -3.766) 12.235 5.772 ( 0.000 11.641 3.766) 12.235 6.428 ( 0.000 20.555 -0.663) 20.566 6.428 ( 0.000 20.555 0.663) 20.566 6.454 ( 0.000 5.523 -5.120) 7.531 6.454 ( 0.000 5.523 5.120) 7.531 6.805 ( 0.000 -0.348 -8.941) 8.948 6.805 ( 0.000 -0.348 8.941) 8.948 7.820 ( 0.000 -0.728 -3.348) 3.427 7.820 ( 0.000 -0.728 3.348) 3.427 8.497 ( 0.000 -9.726 -3.864) 10.465 8.497 ( 0.000 -9.726 3.864) 10.465 8.699 ( 0.000 -7.131 -0.999) 7.201 8.699 ( 0.000 -7.131 0.999) 7.201 8.951 ( 0.000 -3.553 -5.211) 6.307 8.951 ( 0.000 -3.553 5.211) 6.307 8.987 ( 0.000 -2.685 -1.411) 3.033 8.987 ( 0.000 -2.685 1.411) 3.033 9.541 ( 0.000 0.839 -10.695) 10.728 9.541 ( 0.000 0.839 10.695) 10.728 9.576 ( 0.000 -13.421 -7.299) 15.278 9.576 ( 0.000 -13.421 7.299) 15.278 10.209 ( 0.000 -16.440 -6.637) 17.729 10.209 ( 0.000 -16.440 6.637) 17.729 10.961 ( 0.000 -0.080 -0.829) 0.833 10.961 ( 0.000 -0.080 0.829) 0.833 11.247 ( 0.000 16.530 -1.011) 16.561 11.247 ( 0.000 16.530 1.011) 16.561 11.648 ( 0.000 9.096 -10.039) 13.547 11.648 ( 0.000 9.096 10.039) 13.547 17.024 ( 0.000 6.353 -0.976) 6.428 17.024 ( 0.000 6.353 0.976) 6.428 17.131 ( 0.000 9.021 -7.019) 11.430 17.131 ( 0.000 9.021 7.019) 11.430 17.919 ( 0.000 -0.441 -0.198) 0.483 17.919 ( 0.000 -0.441 0.198) 0.483 18.108 ( 0.000 -2.722 -1.243) 2.992 18.108 ( 0.000 -2.722 1.243) 2.992 31.625 ( 0.000 -1.823 -1.083) 2.120 31.625 ( 0.000 -1.823 1.083) 2.120 31.680 ( 0.000 -2.156 -0.990) 2.373 31.680 ( 0.000 -2.156 0.990) 2.373 51.544 ( 0.000 -12.837 -10.063) 16.311 51.544 ( 0.000 -12.837 10.063) 16.311 52.363 ( 0.000 -24.885 -14.617) 28.861 52.363 ( 0.000 -24.885 14.617) 28.861 ======================= Grid point 217 (71/84) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -1.405 16.776 -5.446) 17.694 1.914 ( -1.405 16.776 5.446) 17.694 2.191 ( 0.658 13.866 -11.300) 17.899 2.191 ( 0.658 13.866 11.300) 17.899 2.866 ( -6.550 8.939 -7.911) 13.616 2.866 ( -6.550 8.939 7.911) 13.616 3.187 ( -7.715 12.604 -8.669) 17.133 3.187 ( -7.715 12.604 8.669) 17.133 3.550 ( -1.582 7.846 -6.478) 10.297 3.550 ( -1.582 7.846 6.478) 10.297 3.891 ( 11.304 9.667 -1.198) 14.922 3.891 ( 11.304 9.667 1.198) 14.922 4.265 ( 5.561 11.168 -2.282) 12.683 4.265 ( 5.561 11.168 2.282) 12.683 4.292 ( 0.632 13.167 -14.880) 19.879 4.292 ( 0.632 13.167 14.880) 19.879 4.573 ( 0.719 4.926 -1.078) 5.094 4.573 ( 0.719 4.926 1.078) 5.094 4.724 ( -3.800 6.644 -9.287) 12.034 4.724 ( -3.800 6.644 9.287) 12.034 5.080 ( 2.752 2.309 -3.013) 4.688 5.080 ( 2.752 2.309 3.013) 4.688 5.248 ( 5.570 6.956 -1.849) 9.101 5.248 ( 5.570 6.956 1.849) 9.101 5.544 ( -4.644 1.585 -3.905) 6.271 5.544 ( -4.644 1.585 3.905) 6.271 5.680 ( -7.736 10.707 -4.035) 13.812 5.680 ( -7.736 10.707 4.035) 13.812 6.376 ( -0.218 16.331 -3.510) 16.705 6.376 ( -0.218 16.331 3.510) 16.705 6.515 ( 1.053 7.190 -7.974) 10.788 6.515 ( 1.053 7.190 7.974) 10.788 6.937 ( 10.916 1.219 -9.547) 14.553 6.937 ( 10.916 1.219 9.547) 14.553 7.640 ( -14.093 -2.181 -9.005) 16.866 7.640 ( -14.093 -2.181 9.005) 16.866 8.553 ( 3.897 -7.827 -3.305) 9.347 8.553 ( 3.897 -7.827 3.305) 9.347 8.691 ( -0.772 -7.275 -1.708) 7.513 8.691 ( -0.772 -7.275 1.708) 7.513 8.925 ( -1.056 -2.323 -2.943) 3.895 8.925 ( -1.056 -2.323 2.943) 3.895 8.986 ( -0.473 -1.638 -1.551) 2.305 8.986 ( -0.473 -1.638 1.551) 2.305 9.525 ( -1.216 -10.830 -2.385) 11.156 9.525 ( -1.216 -10.830 2.385) 11.156 9.719 ( 10.022 -6.593 -7.767) 14.291 9.719 ( 10.022 -6.593 7.767) 14.291 10.238 ( 2.674 -14.507 -5.606) 15.781 10.238 ( 2.674 -14.507 5.606) 15.781 10.869 ( -7.084 0.256 -3.091) 7.734 10.869 ( -7.084 0.256 3.091) 7.734 11.253 ( -0.037 15.577 -2.383) 15.758 11.253 ( -0.037 15.577 2.383) 15.758 11.654 ( 0.565 9.977 -7.501) 12.495 11.654 ( 0.565 9.977 7.501) 12.495 17.032 ( 0.718 6.625 -1.351) 6.800 17.032 ( 0.718 6.625 1.351) 6.800 17.113 ( -1.374 8.644 -5.384) 10.275 17.113 ( -1.374 8.644 5.384) 10.275 17.951 ( 2.573 -0.791 -0.802) 2.809 17.951 ( 2.573 -0.791 0.802) 2.809 18.089 ( -1.656 -2.584 -1.389) 3.369 18.089 ( -1.656 -2.584 1.389) 3.369 31.610 ( -0.802 -1.060 -0.754) 1.528 31.610 ( -0.802 -1.060 0.754) 1.528 31.698 ( 1.077 -2.922 -0.519) 3.157 31.698 ( 1.077 -2.922 0.519) 3.157 51.574 ( 2.412 -13.543 -8.577) 16.211 51.574 ( 2.412 -13.543 8.577) 16.211 52.299 ( -4.780 -22.528 -11.967) 25.953 52.299 ( -4.780 -22.528 11.967) 25.953 ======================= Grid point 219 (72/84) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 15.114 0.000) 15.114 1.909 ( 0.000 15.114 0.000) 15.114 2.162 ( -0.000 10.908 -0.000) 10.908 2.162 ( 0.000 10.908 0.000) 10.908 2.924 ( -0.000 14.237 0.000) 14.237 2.924 ( 0.000 14.237 0.000) 14.237 2.941 ( -0.000 13.501 0.000) 13.501 2.941 ( 0.000 13.501 0.000) 13.501 3.595 ( 0.000 5.519 -0.000) 5.519 3.595 ( -0.000 5.519 0.000) 5.519 4.017 ( 0.000 10.293 0.000) 10.293 4.017 ( 0.000 10.293 0.000) 10.293 4.251 ( 0.000 8.914 0.000) 8.914 4.251 ( 0.000 8.914 0.000) 8.914 4.346 ( 0.000 14.767 -0.000) 14.767 4.346 ( 0.000 14.767 -0.000) 14.767 4.601 ( -0.000 2.807 0.000) 2.807 4.601 ( 0.000 2.807 0.000) 2.807 4.666 ( 0.000 8.868 0.000) 8.868 4.666 ( 0.000 8.868 0.000) 8.868 5.144 ( -0.000 6.202 0.000) 6.202 5.144 ( 0.000 6.202 0.000) 6.202 5.361 ( 0.000 8.633 0.000) 8.633 5.361 ( 0.000 8.633 0.000) 8.633 5.491 ( -0.000 -2.490 -0.000) 2.490 5.491 ( -0.000 -2.490 0.000) 2.490 5.511 ( 0.000 9.744 -0.000) 9.744 5.511 ( 0.000 9.744 0.000) 9.744 6.393 ( 0.000 19.814 0.000) 19.814 6.393 ( 0.000 19.814 0.000) 19.814 6.512 ( 0.000 1.966 0.000) 1.966 6.512 ( 0.000 1.966 0.000) 1.966 7.155 ( 0.000 4.189 -0.000) 4.189 7.155 ( 0.000 4.189 0.000) 4.189 7.380 ( 0.000 -5.188 0.000) 5.188 7.380 ( -0.000 -5.188 0.000) 5.188 8.610 ( 0.000 -6.509 0.000) 6.509 8.610 ( 0.000 -6.509 0.000) 6.509 8.673 ( 0.000 -7.757 -0.000) 7.757 8.673 ( 0.000 -7.757 0.000) 7.757 8.918 ( 0.000 -1.051 0.000) 1.051 8.918 ( 0.000 -1.051 0.000) 1.051 8.976 ( 0.000 -1.378 0.000) 1.378 8.976 ( 0.000 -1.378 0.000) 1.378 9.508 ( 0.000 -11.855 0.000) 11.855 9.508 ( 0.000 -11.855 0.000) 11.855 9.852 ( 0.000 -10.756 0.000) 10.756 9.852 ( 0.000 -10.756 0.000) 10.756 10.291 ( 0.000 -11.548 0.000) 11.548 10.291 ( 0.000 -11.548 0.000) 11.548 10.757 ( 0.000 0.329 0.000) 0.329 10.757 ( 0.000 0.329 0.000) 0.329 11.248 ( 0.000 15.482 0.000) 15.482 11.248 ( 0.000 15.482 0.000) 15.482 11.663 ( -0.000 10.583 0.000) 10.583 11.663 ( 0.000 10.583 0.000) 10.583 17.046 ( 0.000 7.060 0.000) 7.060 17.046 ( 0.000 7.060 0.000) 7.060 17.091 ( 0.000 8.104 -0.000) 8.104 17.091 ( 0.000 8.104 0.000) 8.104 17.997 ( -0.000 -1.130 0.000) 1.130 17.997 ( 0.000 -1.130 -0.000) 1.130 18.056 ( -0.000 -2.450 0.000) 2.450 18.056 ( 0.000 -2.450 0.000) 2.450 31.601 ( 0.000 -0.656 0.000) 0.656 31.601 ( 0.000 -0.656 0.000) 0.656 31.711 ( 0.000 -3.328 0.000) 3.328 31.711 ( 0.000 -3.328 0.000) 3.328 51.611 ( 0.000 -14.510 0.000) 14.510 51.611 ( 0.000 -14.510 0.000) 14.510 52.231 ( 0.000 -19.969 0.000) 19.969 52.231 ( 0.000 -19.969 0.000) 19.969 ======================= Grid point 225 (73/84) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.000 20.704 -6.495) 21.699 2.343 ( 0.000 20.704 6.495) 21.699 2.489 ( 0.000 16.459 -2.654) 16.672 2.489 ( 0.000 16.459 2.654) 16.672 3.117 ( 0.000 9.091 -4.618) 10.196 3.117 ( 0.000 9.091 4.618) 10.196 3.499 ( 0.000 11.263 -1.068) 11.314 3.499 ( 0.000 11.263 1.068) 11.314 3.715 ( 0.000 4.968 -0.220) 4.972 3.715 ( 0.000 4.968 0.220) 4.972 4.037 ( 0.000 12.971 -8.545) 15.533 4.037 ( 0.000 12.971 8.545) 15.533 4.330 ( 0.000 9.788 -7.236) 12.172 4.330 ( 0.000 9.788 7.236) 12.172 4.578 ( 0.000 9.273 -2.776) 9.679 4.578 ( 0.000 9.273 2.776) 9.679 4.672 ( 0.000 10.069 -16.214) 19.086 4.672 ( 0.000 10.069 16.214) 19.086 4.859 ( 0.000 1.963 -5.820) 6.142 4.859 ( 0.000 1.963 5.820) 6.142 5.113 ( 0.000 3.031 -0.817) 3.139 5.113 ( 0.000 3.031 0.817) 3.139 5.274 ( 0.000 5.928 -0.835) 5.987 5.274 ( 0.000 5.928 0.835) 5.987 5.624 ( 0.000 0.648 -1.504) 1.638 5.624 ( 0.000 0.648 1.504) 1.638 6.116 ( 0.000 17.048 -6.617) 18.287 6.116 ( 0.000 17.048 6.617) 18.287 6.449 ( 0.000 1.439 -0.555) 1.542 6.449 ( 0.000 1.439 0.555) 1.542 6.798 ( 0.000 2.523 -8.564) 8.928 6.798 ( 0.000 2.523 8.564) 8.928 7.002 ( 0.000 25.607 -1.942) 25.681 7.002 ( 0.000 25.607 1.942) 25.681 7.840 ( 0.000 3.039 -0.271) 3.051 7.840 ( 0.000 3.039 0.271) 3.051 8.306 ( 0.000 -8.846 -5.480) 10.406 8.306 ( 0.000 -8.846 5.480) 10.406 8.539 ( 0.000 -8.748 -1.376) 8.856 8.539 ( 0.000 -8.748 1.376) 8.856 8.814 ( 0.000 -7.650 -1.241) 7.750 8.814 ( 0.000 -7.650 1.241) 7.750 8.942 ( 0.000 -2.596 -1.987) 3.269 8.942 ( 0.000 -2.596 1.987) 3.269 9.339 ( 0.000 -10.052 -6.582) 12.016 9.339 ( 0.000 -10.052 6.582) 12.016 9.450 ( 0.000 -11.077 -10.456) 15.232 9.450 ( 0.000 -11.077 10.456) 15.232 9.959 ( 0.000 -6.297 -5.536) 8.384 9.959 ( 0.000 -6.297 5.536) 8.384 10.906 ( 0.000 -4.664 -1.474) 4.891 10.906 ( 0.000 -4.664 1.474) 4.891 11.578 ( 0.000 15.372 -3.209) 15.703 11.578 ( 0.000 15.372 3.209) 15.703 11.832 ( 0.000 8.665 -5.035) 10.021 11.832 ( 0.000 8.665 5.035) 10.021 17.156 ( 0.000 6.543 -1.156) 6.644 17.156 ( 0.000 6.543 1.156) 6.644 17.295 ( 0.000 7.019 -8.056) 10.685 17.295 ( 0.000 7.019 8.056) 10.685 17.909 ( 0.000 -0.529 -0.155) 0.551 17.909 ( 0.000 -0.529 0.155) 0.551 18.051 ( 0.000 -2.871 -0.702) 2.955 18.051 ( 0.000 -2.871 0.702) 2.955 31.598 ( 0.000 -0.719 -1.111) 1.323 31.598 ( 0.000 -0.719 1.111) 1.323 31.645 ( 0.000 -1.362 -0.270) 1.389 31.645 ( 0.000 -1.362 0.270) 1.389 51.273 ( 0.000 -13.569 -9.152) 16.367 51.273 ( 0.000 -13.569 9.152) 16.367 51.887 ( 0.000 -22.163 -15.852) 27.248 51.887 ( 0.000 -22.163 15.852) 27.248 ======================= Grid point 227 (74/84) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.885 20.566 -3.247) 21.020 2.296 ( -2.885 20.566 3.247) 21.020 2.476 ( -2.253 14.912 -7.489) 16.838 2.476 ( -2.253 14.912 7.489) 16.838 3.085 ( -1.126 12.889 -4.320) 13.641 3.085 ( -1.126 12.889 4.320) 13.641 3.398 ( -5.029 8.548 -6.134) 11.661 3.398 ( -5.029 8.548 6.134) 11.661 3.737 ( -2.659 10.874 -7.458) 13.451 3.737 ( -2.659 10.874 7.458) 13.451 4.067 ( 7.584 7.286 -6.090) 12.153 4.067 ( 7.584 7.286 6.090) 12.153 4.496 ( 6.024 8.348 -5.722) 11.778 4.496 ( 6.024 8.348 5.722) 11.778 4.588 ( 1.293 12.349 -5.165) 13.448 4.588 ( 1.293 12.349 5.165) 13.448 4.657 ( -0.511 9.085 -10.492) 13.888 4.657 ( -0.511 9.085 10.492) 13.888 4.873 ( -0.337 6.265 -5.353) 8.247 4.873 ( -0.337 6.265 5.353) 8.247 5.074 ( 1.432 -1.702 -2.912) 3.665 5.074 ( 1.432 -1.702 2.912) 3.665 5.355 ( 4.260 3.214 -4.257) 6.826 5.355 ( 4.260 3.214 4.257) 6.826 5.582 ( -2.047 4.700 -0.583) 5.160 5.582 ( -2.047 4.700 0.583) 5.160 5.969 ( -11.039 13.715 -5.178) 18.351 5.969 ( -11.039 13.715 5.178) 18.351 6.525 ( 5.478 6.120 -3.424) 8.899 6.525 ( 5.478 6.120 3.424) 8.899 6.785 ( -1.532 7.857 -5.916) 9.954 6.785 ( -1.532 7.857 5.916) 9.954 7.094 ( 7.770 17.112 -5.697) 19.638 7.094 ( 7.770 17.112 5.697) 19.638 7.637 ( -14.737 2.707 -10.588) 18.346 7.637 ( -14.737 2.707 10.588) 18.346 8.393 ( 5.127 -7.821 -4.018) 10.178 8.393 ( 5.127 -7.821 4.018) 10.178 8.530 ( -0.833 -8.717 -1.748) 8.929 8.530 ( -0.833 -8.717 1.748) 8.929 8.832 ( 1.667 -5.692 -2.419) 6.405 8.832 ( 1.667 -5.692 2.419) 6.405 8.938 ( -0.678 -3.020 -2.280) 3.844 8.938 ( -0.678 -3.020 2.280) 3.844 9.308 ( -1.805 -9.898 -3.379) 10.614 9.308 ( -1.805 -9.898 3.379) 10.614 9.514 ( 3.972 -14.334 -6.474) 16.222 9.514 ( 3.972 -14.334 6.474) 16.222 10.033 ( 6.034 -5.059 -2.899) 8.391 10.033 ( 6.034 -5.059 2.899) 8.391 10.827 ( -6.234 -3.939 -3.305) 8.081 10.827 ( -6.234 -3.939 3.305) 8.081 11.569 ( -0.758 14.870 -2.380) 15.078 11.569 ( -0.758 14.870 2.380) 15.078 11.848 ( 1.192 8.923 -3.601) 9.696 11.848 ( 1.192 8.923 3.601) 9.696 17.168 ( 1.057 6.666 -1.764) 6.976 17.168 ( 1.057 6.666 1.764) 6.976 17.274 ( -1.668 7.035 -6.385) 9.646 17.274 ( -1.668 7.035 6.385) 9.646 17.933 ( 1.995 -0.918 -0.609) 2.279 17.933 ( 1.995 -0.918 0.609) 2.279 18.035 ( -1.379 -2.686 -0.905) 3.152 18.035 ( -1.379 -2.686 0.905) 3.152 31.595 ( -0.180 -0.368 -0.721) 0.829 31.595 ( -0.180 -0.368 0.721) 0.829 31.651 ( 0.383 -1.791 -0.121) 1.835 31.651 ( 0.383 -1.791 0.121) 1.835 51.294 ( 1.640 -13.803 -7.407) 15.750 51.294 ( 1.640 -13.803 7.407) 15.750 51.855 ( -2.393 -21.256 -12.148) 24.599 51.855 ( -2.393 -21.256 12.148) 24.599 ======================= Grid point 229 (75/84) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -0.000 20.188 0.000) 20.188 2.268 ( 0.000 20.188 0.000) 20.188 2.418 ( -0.000 14.473 -0.000) 14.473 2.418 ( 0.000 14.473 0.000) 14.473 3.184 ( -0.000 11.819 0.000) 11.819 3.184 ( 0.000 11.819 0.000) 11.819 3.208 ( -0.000 13.258 0.000) 13.258 3.208 ( 0.000 13.258 0.000) 13.258 3.757 ( 0.000 10.509 0.000) 10.509 3.757 ( -0.000 10.509 0.000) 10.509 4.152 ( 0.000 3.469 0.000) 3.469 4.152 ( 0.000 3.469 0.000) 3.469 4.535 ( -0.000 17.087 0.000) 17.087 4.535 ( 0.000 17.087 0.000) 17.087 4.598 ( -0.000 0.211 -0.000) 0.211 4.598 ( 0.000 0.211 -0.000) 0.211 4.671 ( 0.000 13.542 -0.000) 13.542 4.671 ( 0.000 13.542 -0.000) 13.542 4.843 ( 0.000 7.834 0.000) 7.834 4.843 ( 0.000 7.834 0.000) 7.834 5.191 ( -0.000 0.593 0.000) 0.593 5.191 ( 0.000 0.593 0.000) 0.593 5.320 ( -0.000 -7.018 0.000) 7.018 5.320 ( 0.000 -7.018 0.000) 7.018 5.672 ( -0.000 14.109 0.000) 14.109 5.672 ( 0.000 14.109 0.000) 14.109 5.742 ( -0.000 10.768 -0.000) 10.768 5.742 ( 0.000 10.768 0.000) 10.768 6.618 ( 0.000 7.665 0.000) 7.665 6.618 ( 0.000 7.665 0.000) 7.665 6.743 ( -0.000 12.870 -0.000) 12.870 6.743 ( 0.000 12.870 0.000) 12.870 7.304 ( 0.000 -1.187 -0.000) 1.187 7.304 ( 0.000 -1.187 0.000) 1.187 7.336 ( -0.000 14.723 0.000) 14.723 7.336 ( -0.000 14.723 0.000) 14.723 8.462 ( -0.000 -8.264 -0.000) 8.264 8.462 ( 0.000 -8.264 0.000) 8.264 8.511 ( 0.000 -8.340 -0.000) 8.340 8.511 ( -0.000 -8.340 0.000) 8.340 8.865 ( 0.000 -3.388 0.000) 3.388 8.865 ( 0.000 -3.388 0.000) 3.388 8.919 ( 0.000 -3.973 0.000) 3.973 8.919 ( 0.000 -3.973 0.000) 3.973 9.286 ( 0.000 -9.837 0.000) 9.837 9.286 ( 0.000 -9.837 0.000) 9.837 9.563 ( 0.000 -16.790 0.000) 16.790 9.563 ( 0.000 -16.790 0.000) 16.790 10.130 ( 0.000 -4.537 -0.000) 4.537 10.130 ( 0.000 -4.537 0.000) 4.537 10.729 ( 0.000 -3.022 0.000) 3.022 10.729 ( 0.000 -3.022 0.000) 3.022 11.557 ( -0.000 14.591 0.000) 14.591 11.557 ( 0.000 14.591 0.000) 14.591 11.865 ( -0.000 9.057 0.000) 9.057 11.865 ( 0.000 9.057 0.000) 9.057 17.188 ( 0.000 6.851 -0.000) 6.851 17.188 ( 0.000 6.851 0.000) 6.851 17.246 ( 0.000 6.979 -0.000) 6.979 17.246 ( 0.000 6.979 0.000) 6.979 17.972 ( -0.000 -1.335 0.000) 1.335 17.972 ( 0.000 -1.335 0.000) 1.335 18.005 ( -0.000 -2.463 0.000) 2.463 18.005 ( 0.000 -2.463 0.000) 2.463 31.593 ( 0.000 -0.124 0.000) 0.124 31.593 ( 0.000 -0.124 0.000) 0.124 31.655 ( 0.000 -2.110 0.000) 2.110 31.655 ( 0.000 -2.110 0.000) 2.110 51.318 ( -0.000 -14.097 -0.000) 14.097 51.318 ( 0.000 -14.097 -0.000) 14.097 51.820 ( -0.000 -20.299 0.000) 20.299 51.820 ( 0.000 -20.299 0.000) 20.299 ======================= Grid point 235 (76/84) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 0.000 18.316 -8.909) 20.368 2.739 ( 0.000 18.316 8.909) 20.368 2.817 ( 0.000 16.631 -5.488) 17.514 2.817 ( 0.000 16.631 5.488) 17.514 3.364 ( 0.000 14.496 -5.243) 15.415 3.364 ( 0.000 14.496 5.243) 15.415 3.679 ( 0.000 6.195 -0.397) 6.207 3.679 ( 0.000 6.195 0.397) 6.207 3.830 ( 0.000 6.745 -0.970) 6.814 3.830 ( 0.000 6.745 0.970) 6.814 4.249 ( 0.000 8.488 -7.572) 11.375 4.249 ( 0.000 8.488 7.572) 11.375 4.473 ( 0.000 4.721 -1.445) 4.937 4.473 ( 0.000 4.721 1.445) 4.937 4.728 ( 0.000 8.314 -1.261) 8.409 4.728 ( 0.000 8.314 1.261) 8.409 4.796 ( 0.000 -3.554 -3.252) 4.817 4.796 ( 0.000 -3.554 3.252) 4.817 4.898 ( 0.000 5.689 -5.582) 7.970 4.898 ( 0.000 5.689 5.582) 7.970 5.207 ( 0.000 6.532 -7.166) 9.697 5.207 ( 0.000 6.532 7.166) 9.697 5.417 ( 0.000 6.412 -3.873) 7.491 5.417 ( 0.000 6.412 3.873) 7.491 5.662 ( 0.000 3.487 -1.168) 3.677 5.662 ( 0.000 3.487 1.168) 3.677 6.261 ( 0.000 -2.774 -7.572) 8.064 6.261 ( 0.000 -2.774 7.572) 8.064 6.557 ( 0.000 7.618 -1.229) 7.716 6.557 ( 0.000 7.618 1.229) 7.716 6.840 ( 0.000 0.837 -10.307) 10.341 6.840 ( 0.000 0.837 10.307) 10.341 7.437 ( 0.000 15.751 -7.780) 17.567 7.437 ( 0.000 15.751 7.780) 17.567 7.937 ( 0.000 6.212 -5.083) 8.026 7.937 ( 0.000 6.212 5.083) 8.026 8.182 ( 0.000 -2.530 -7.981) 8.373 8.182 ( 0.000 -2.530 7.981) 8.373 8.363 ( 0.000 -8.261 -0.789) 8.298 8.363 ( 0.000 -8.261 0.789) 8.298 8.710 ( 0.000 -1.638 -0.893) 1.866 8.710 ( 0.000 -1.638 0.893) 1.866 8.911 ( 0.000 0.810 -1.029) 1.310 8.911 ( 0.000 0.810 1.029) 1.310 9.162 ( 0.000 -8.428 -2.676) 8.842 9.162 ( 0.000 -8.428 2.676) 8.842 9.202 ( 0.000 -10.067 -6.240) 11.844 9.202 ( 0.000 -10.067 6.240) 11.844 9.915 ( 0.000 -0.064 -0.303) 0.309 9.915 ( 0.000 -0.064 0.303) 0.309 10.783 ( 0.000 -7.549 -2.861) 8.073 10.783 ( 0.000 -7.549 2.861) 8.073 11.838 ( 0.000 10.423 -3.459) 10.982 11.838 ( 0.000 10.423 3.459) 10.982 11.979 ( 0.000 5.890 -1.095) 5.991 11.979 ( 0.000 5.890 1.095) 5.991 17.275 ( 0.000 5.207 -0.952) 5.293 17.275 ( 0.000 5.207 0.952) 5.293 17.407 ( 0.000 4.269 -6.607) 7.866 17.407 ( 0.000 4.269 6.607) 7.866 17.899 ( 0.000 -0.500 -0.095) 0.509 17.899 ( 0.000 -0.500 0.095) 0.509 17.998 ( 0.000 -2.399 -0.289) 2.416 17.998 ( 0.000 -2.399 0.289) 2.416 31.596 ( 0.000 0.383 -0.655) 0.759 31.596 ( 0.000 0.383 0.655) 0.759 31.624 ( 0.000 -0.665 -0.051) 0.667 31.624 ( 0.000 -0.665 0.051) 0.667 51.025 ( 0.000 -10.743 -7.050) 12.849 51.025 ( 0.000 -10.743 7.050) 12.849 51.490 ( 0.000 -17.448 -12.858) 21.674 51.490 ( 0.000 -17.448 12.858) 21.674 ======================= Grid point 237 (77/84) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -2.188 18.585 -6.136) 19.694 2.697 ( -2.188 18.585 6.136) 19.694 2.800 ( -2.711 18.020 -5.595) 19.062 2.800 ( -2.711 18.020 5.595) 19.062 3.364 ( -1.173 14.002 -3.606) 14.506 3.364 ( -1.173 14.002 3.606) 14.506 3.540 ( -2.350 6.263 -3.616) 7.604 3.540 ( -2.350 6.263 3.616) 7.604 3.973 ( 1.575 11.873 -7.274) 14.013 3.973 ( 1.575 11.873 7.274) 14.013 4.197 ( 1.099 6.398 -3.923) 7.585 4.197 ( 1.099 6.398 3.923) 7.585 4.504 ( 0.977 -3.497 -0.783) 3.714 4.504 ( 0.977 -3.497 0.783) 3.714 4.794 ( 1.867 7.864 -0.432) 8.094 4.794 ( 1.867 7.864 0.432) 8.094 4.843 ( 2.737 -1.793 -0.641) 3.334 4.843 ( 2.737 -1.793 0.641) 3.334 4.968 ( 8.951 9.384 -6.714) 14.603 4.968 ( 8.951 9.384 6.714) 14.603 5.097 ( -6.639 5.164 -3.552) 9.130 5.097 ( -6.639 5.164 3.552) 9.130 5.397 ( -4.331 1.784 -4.234) 6.314 5.397 ( -4.331 1.784 4.234) 6.314 5.723 ( 6.220 7.681 -3.385) 10.447 5.723 ( 6.220 7.681 3.385) 10.447 6.140 ( -9.548 2.906 -5.273) 11.287 6.140 ( -9.548 2.906 5.273) 11.287 6.634 ( 5.581 3.005 -6.770) 9.274 6.634 ( 5.581 3.005 6.770) 9.274 6.861 ( 1.766 1.364 -9.224) 9.491 6.861 ( 1.766 1.364 9.224) 9.491 7.438 ( -1.124 13.565 -7.552) 15.566 7.438 ( -1.124 13.565 7.552) 15.566 7.775 ( -9.349 10.646 -10.483) 17.625 7.775 ( -9.349 10.646 10.483) 17.625 8.255 ( 3.346 -5.586 -3.666) 7.472 8.255 ( 3.346 -5.586 3.666) 7.472 8.357 ( -0.355 -7.916 -1.147) 8.007 8.357 ( -0.355 -7.916 1.147) 8.007 8.756 ( 3.693 -0.783 -1.801) 4.183 8.756 ( 3.693 -0.783 1.801) 4.183 8.896 ( -1.558 0.081 -1.683) 2.295 8.896 ( -1.558 0.081 1.683) 2.295 9.140 ( -1.082 -6.924 -1.025) 7.082 9.140 ( -1.082 -6.924 1.025) 7.082 9.237 ( 1.943 -11.376 -2.757) 11.866 9.237 ( 1.943 -11.376 2.757) 11.866 9.989 ( 5.832 -0.517 -1.393) 6.018 9.989 ( 5.832 -0.517 1.393) 6.018 10.717 ( -5.214 -6.969 -3.734) 9.470 10.717 ( -5.214 -6.969 3.734) 9.470 11.823 ( -1.028 10.392 -2.429) 10.722 11.823 ( -1.028 10.392 2.429) 10.722 11.996 ( 1.194 5.736 -1.016) 5.946 11.996 ( 1.194 5.736 1.016) 5.946 17.289 ( 1.154 5.214 -1.636) 5.585 17.289 ( 1.154 5.214 1.636) 5.585 17.388 ( -1.524 4.439 -5.402) 7.156 17.388 ( -1.524 4.439 5.402) 7.156 17.915 ( 1.412 -0.840 -0.424) 1.697 17.915 ( 1.412 -0.840 0.424) 1.697 17.986 ( -1.056 -2.219 -0.524) 2.513 17.986 ( -1.056 -2.219 0.524) 2.513 31.596 ( -0.005 0.381 -0.457) 0.596 31.596 ( -0.005 0.381 0.457) 0.596 31.626 ( 0.102 -0.725 -0.061) 0.734 31.626 ( 0.102 -0.725 0.061) 0.734 51.046 ( 1.553 -10.655 -5.777) 12.220 51.046 ( 1.553 -10.655 5.777) 12.220 51.467 ( -1.735 -17.337 -9.861) 20.021 51.467 ( -1.735 -17.337 9.861) 20.021 ======================= Grid point 239 (78/84) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.000 21.605 0.000) 21.605 2.691 ( 0.000 21.605 0.000) 21.605 2.728 ( -0.000 16.097 -0.000) 16.097 2.728 ( 0.000 16.097 0.000) 16.097 3.398 ( -0.000 9.521 0.000) 9.521 3.398 ( 0.000 9.521 0.000) 9.521 3.473 ( -0.000 13.229 0.000) 13.229 3.473 ( 0.000 13.229 0.000) 13.229 4.011 ( -0.000 14.714 0.000) 14.714 4.011 ( 0.000 14.714 0.000) 14.714 4.188 ( -0.000 0.205 0.000) 0.205 4.188 ( 0.000 0.205 0.000) 0.205 4.532 ( -0.000 -5.119 0.000) 5.119 4.532 ( 0.000 -5.119 0.000) 5.119 4.803 ( -0.000 5.847 0.000) 5.847 4.803 ( 0.000 5.847 0.000) 5.847 4.898 ( -0.000 4.620 -0.000) 4.620 4.898 ( -0.000 4.620 0.000) 4.620 4.963 ( 0.000 6.805 -0.000) 6.805 4.963 ( 0.000 6.805 0.000) 6.805 5.229 ( -0.003 3.394 -0.001) 3.394 5.229 ( 0.003 3.394 -0.001) 3.394 5.229 ( -0.003 1.252 0.001) 1.252 5.229 ( 0.003 1.252 0.002) 1.252 5.909 ( -0.000 8.389 -0.000) 8.389 5.909 ( 0.000 8.389 -0.000) 8.389 5.913 ( -0.000 6.359 0.000) 6.359 5.913 ( 0.000 6.359 0.000) 6.359 6.714 ( 0.000 0.079 -0.000) 0.079 6.714 ( 0.000 0.079 0.000) 0.079 6.893 ( 0.000 2.615 -0.000) 2.615 6.893 ( -0.000 2.615 0.000) 2.615 7.390 ( 0.000 10.055 0.000) 10.055 7.390 ( 0.000 10.055 0.000) 10.055 7.674 ( 0.000 15.907 0.000) 15.907 7.674 ( 0.000 15.907 0.000) 15.907 8.290 ( -0.000 -8.334 0.000) 8.334 8.290 ( 0.000 -8.334 0.000) 8.334 8.353 ( -0.000 -6.843 0.000) 6.843 8.353 ( 0.000 -6.843 0.000) 6.843 8.831 ( -0.000 0.868 -0.000) 0.868 8.831 ( 0.000 0.868 0.000) 0.868 8.849 ( 0.000 -1.719 0.000) 1.719 8.849 ( 0.000 -1.719 0.000) 1.719 9.127 ( 0.000 -5.884 0.000) 5.884 9.127 ( 0.000 -5.884 0.000) 5.884 9.261 ( 0.000 -12.195 0.000) 12.195 9.261 ( 0.000 -12.195 0.000) 12.195 10.079 ( 0.000 -1.078 -0.000) 1.078 10.079 ( 0.000 -1.078 0.000) 1.078 10.636 ( 0.000 -6.334 0.000) 6.334 10.636 ( 0.000 -6.334 0.000) 6.334 11.810 ( -0.000 10.425 0.000) 10.425 11.810 ( 0.000 10.425 0.000) 10.425 12.012 ( -0.000 5.541 0.000) 5.541 12.012 ( 0.000 5.541 0.000) 5.541 17.310 ( -0.000 5.257 -0.000) 5.257 17.310 ( 0.000 5.257 0.000) 5.257 17.362 ( 0.000 4.563 -0.000) 4.563 17.362 ( 0.000 4.563 0.000) 4.563 17.945 ( -0.000 -1.248 -0.000) 1.248 17.945 ( 0.000 -1.248 0.000) 1.248 17.961 ( -0.000 -1.963 0.000) 1.963 17.961 ( 0.000 -1.963 0.000) 1.963 31.596 ( -0.000 0.373 -0.000) 0.373 31.596 ( 0.000 0.373 0.000) 0.373 31.627 ( -0.000 -0.778 0.000) 0.778 31.627 ( 0.000 -0.778 0.000) 0.778 51.068 ( -0.000 -10.522 -0.000) 10.522 51.068 ( 0.000 -10.522 -0.000) 10.522 51.441 ( -0.000 -17.273 0.000) 17.273 51.441 ( 0.000 -17.273 0.000) 17.273 ======================= Grid point 245 (79/84) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 0.000 13.379 -1.236) 13.436 3.056 ( 0.000 13.379 1.236) 13.436 3.161 ( 0.000 17.160 -0.291) 17.162 3.161 ( 0.000 17.160 0.291) 17.162 3.602 ( 0.000 6.435 -1.287) 6.563 3.602 ( 0.000 6.435 1.287) 6.563 3.778 ( 0.000 4.646 -4.306) 6.334 3.778 ( 0.000 4.646 4.306) 6.334 3.960 ( 0.000 6.137 -3.620) 7.125 3.960 ( 0.000 6.137 3.620) 7.125 4.346 ( 0.000 0.931 -6.828) 6.891 4.346 ( 0.000 0.931 6.828) 6.891 4.570 ( 0.000 1.392 -1.689) 2.188 4.570 ( 0.000 1.392 1.689) 2.188 4.697 ( 0.000 1.750 -7.025) 7.240 4.697 ( 0.000 1.750 7.025) 7.240 4.933 ( 0.000 4.602 -2.138) 5.074 4.933 ( 0.000 4.602 2.138) 5.074 4.982 ( 0.000 8.743 -1.693) 8.905 4.982 ( 0.000 8.743 1.693) 8.905 5.341 ( 0.000 5.293 -6.924) 8.716 5.341 ( 0.000 5.293 6.924) 8.716 5.492 ( 0.000 1.636 -0.443) 1.695 5.492 ( 0.000 1.636 0.443) 1.695 5.734 ( 0.000 2.380 -3.219) 4.003 5.734 ( 0.000 2.380 3.219) 4.003 6.117 ( 0.000 -9.867 -5.473) 11.284 6.117 ( 0.000 -9.867 5.473) 11.284 6.627 ( 0.000 -0.949 -1.925) 2.146 6.627 ( 0.000 -0.949 1.925) 2.146 6.786 ( 0.000 -6.164 -14.752) 15.988 6.786 ( 0.000 -6.164 14.752) 15.988 7.633 ( 0.000 6.209 -11.626) 13.180 7.633 ( 0.000 6.209 11.626) 13.180 8.063 ( 0.000 4.253 -1.494) 4.508 8.063 ( 0.000 4.253 1.494) 4.508 8.165 ( 0.000 -1.585 -1.392) 2.110 8.165 ( 0.000 -1.586 1.392) 2.110 8.256 ( 0.000 -0.064 -1.877) 1.878 8.256 ( 0.000 -0.064 1.877) 1.878 8.764 ( 0.000 5.416 -0.408) 5.432 8.764 ( 0.000 5.416 0.408) 5.432 8.998 ( 0.000 6.462 -0.840) 6.516 8.998 ( 0.000 6.462 0.840) 6.516 9.034 ( 0.000 -2.975 -0.080) 2.977 9.034 ( 0.000 -2.975 0.080) 2.977 9.065 ( 0.000 -4.167 -2.768) 5.002 9.065 ( 0.000 -4.167 2.768) 5.002 9.925 ( 0.000 1.033 -1.140) 1.539 9.925 ( 0.000 1.033 1.140) 1.539 10.613 ( 0.000 -9.034 -3.826) 9.811 10.613 ( 0.000 -9.034 3.826) 9.811 11.991 ( 0.000 4.956 -2.950) 5.768 11.991 ( 0.000 4.956 2.950) 5.768 12.069 ( 0.000 3.251 -1.029) 3.410 12.069 ( 0.000 3.251 1.029) 3.410 17.360 ( 0.000 3.216 -0.528) 3.259 17.360 ( 0.000 3.216 0.528) 3.259 17.469 ( 0.000 2.069 -4.151) 4.638 17.469 ( 0.000 2.069 4.151) 4.638 17.890 ( 0.000 -0.360 -0.042) 0.363 17.890 ( 0.000 -0.360 0.042) 0.363 17.958 ( 0.000 -1.562 -0.070) 1.564 17.958 ( 0.000 -1.562 0.070) 1.564 31.604 ( 0.000 0.223 -0.209) 0.305 31.604 ( 0.000 0.223 0.209) 0.305 31.620 ( 0.000 0.258 -0.099) 0.276 31.620 ( 0.000 0.258 0.099) 0.276 50.855 ( 0.000 -6.152 -4.043) 7.362 50.855 ( 0.000 -6.152 4.043) 7.362 51.195 ( 0.000 -11.783 -8.416) 14.480 51.195 ( 0.000 -11.783 8.416) 14.480 ======================= Grid point 247 (80/84) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -0.787 14.490 -3.955) 15.040 3.025 ( -0.787 14.490 3.955) 15.040 3.177 ( -1.926 18.279 -1.395) 18.433 3.177 ( -1.926 18.279 1.395) 18.433 3.552 ( -2.324 3.850 -3.722) 5.837 3.552 ( -2.324 3.850 3.722) 5.837 3.711 ( 0.933 11.011 -0.616) 11.068 3.711 ( 0.933 11.011 0.616) 11.068 4.137 ( 5.078 3.261 -4.852) 7.743 4.137 ( 5.078 3.261 4.852) 7.743 4.299 ( -1.084 -0.810 -5.045) 5.223 4.299 ( -1.084 -0.810 5.045) 5.223 4.489 ( -4.930 6.871 -1.258) 8.550 4.489 ( -4.930 6.871 1.258) 8.550 4.708 ( 2.277 -6.291 -1.606) 6.880 4.708 ( 2.277 -6.291 1.606) 6.880 4.910 ( -2.232 1.806 -1.055) 3.059 4.910 ( -2.232 1.806 1.055) 3.059 5.114 ( 5.991 5.351 -5.815) 9.917 5.114 ( 5.991 5.351 5.815) 9.917 5.260 ( -2.353 8.784 -3.487) 9.740 5.260 ( -2.354 8.784 3.487) 9.740 5.442 ( -4.020 3.215 -5.697) 7.678 5.442 ( -4.020 3.215 5.697) 7.678 5.835 ( 7.049 2.927 -3.599) 8.438 5.835 ( 7.049 2.927 3.599) 8.438 6.100 ( -2.804 -6.027 -3.542) 7.532 6.100 ( -2.804 -6.027 3.542) 7.532 6.629 ( 0.986 -2.667 -5.438) 6.136 6.629 ( 0.986 -2.667 5.438) 6.136 6.814 ( 2.090 -6.214 -11.136) 12.922 6.814 ( 2.090 -6.214 11.136) 12.922 7.641 ( 0.366 7.993 -10.601) 13.282 7.641 ( 0.366 7.993 10.601) 13.282 7.966 ( -6.341 6.122 -5.371) 10.322 7.966 ( -6.341 6.122 5.371) 10.322 8.171 ( -0.497 -3.077 -2.016) 3.712 8.171 ( -0.497 -3.077 2.016) 3.712 8.258 ( 0.545 -0.894 -2.152) 2.393 8.258 ( 0.545 -0.894 2.152) 2.393 8.811 ( 3.550 4.941 -1.351) 6.232 8.811 ( 3.550 4.941 1.351) 6.232 8.952 ( -2.806 3.802 -0.946) 4.819 8.952 ( -2.806 3.802 0.946) 4.819 9.056 ( 0.739 -0.713 -1.424) 1.756 9.056 ( 0.739 -0.713 1.424) 1.756 9.073 ( 0.595 -4.806 -2.682) 5.536 9.073 ( 0.595 -4.806 2.682) 5.536 9.995 ( 5.554 1.188 -2.273) 6.118 9.995 ( 5.554 1.188 2.273) 6.118 10.556 ( -4.582 -8.710 -4.112) 10.666 10.556 ( -4.582 -8.710 4.112) 10.666 11.982 ( -0.672 5.571 -2.449) 6.123 11.982 ( -0.672 5.571 2.449) 6.123 12.077 ( 0.614 2.496 -1.414) 2.934 12.077 ( 0.614 2.496 1.414) 2.934 17.373 ( 1.138 3.193 -1.146) 3.578 17.373 ( 1.138 3.193 1.146) 3.578 17.454 ( -1.294 2.211 -3.516) 4.351 17.454 ( -1.294 2.211 3.516) 4.351 17.901 ( 0.950 -0.587 -0.252) 1.144 17.901 ( 0.950 -0.587 0.252) 1.144 17.949 ( -0.780 -1.438 -0.275) 1.659 17.949 ( -0.780 -1.438 0.275) 1.659 31.605 ( 0.032 0.371 -0.156) 0.403 31.605 ( 0.032 0.371 0.156) 0.403 31.620 ( 0.001 0.081 -0.077) 0.112 31.620 ( 0.001 0.081 0.077) 0.112 50.879 ( 1.921 -5.828 -3.717) 7.174 50.879 ( 1.921 -5.828 3.717) 7.174 51.171 ( -1.947 -12.060 -6.759) 13.961 51.171 ( -1.947 -12.060 6.759) 13.961 ======================= Grid point 249 (81/84) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 0.000 14.748 -0.000) 14.748 3.042 ( 0.000 14.748 0.000) 14.748 3.101 ( -0.000 18.312 -0.000) 18.312 3.101 ( -0.000 18.312 0.000) 18.312 3.565 ( 0.000 7.620 0.000) 7.620 3.565 ( 0.000 7.620 0.000) 7.620 3.725 ( -0.000 11.530 0.000) 11.530 3.725 ( 0.000 11.530 0.000) 11.530 4.156 ( -0.000 -3.535 -0.000) 3.535 4.156 ( 0.000 -3.535 0.000) 3.535 4.282 ( -0.000 5.308 0.000) 5.308 4.282 ( -0.000 5.308 0.000) 5.308 4.456 ( -0.000 4.164 0.000) 4.164 4.456 ( 0.000 4.164 0.000) 4.164 4.776 ( -0.000 -4.575 0.000) 4.575 4.776 ( 0.000 -4.575 0.000) 4.575 4.852 ( 0.000 -5.335 -0.000) 5.335 4.852 ( -0.000 -5.335 0.000) 5.335 5.113 ( -0.000 3.271 0.000) 3.271 5.113 ( 0.000 3.271 0.000) 3.271 5.320 ( 0.000 7.180 -0.000) 7.180 5.320 ( 0.000 7.180 -0.000) 7.180 5.376 ( 0.000 9.869 0.000) 9.869 5.376 ( -0.000 9.869 0.000) 9.869 5.980 ( -0.000 -0.023 0.000) 0.023 5.980 ( 0.000 -0.023 0.000) 0.023 5.993 ( -0.000 0.194 0.000) 0.194 5.993 ( 0.000 0.194 0.000) 0.194 6.652 ( 0.000 -4.394 -0.000) 4.394 6.652 ( 0.000 -4.394 0.000) 4.394 6.846 ( -0.000 -6.854 -0.000) 6.854 6.846 ( 0.000 -6.854 0.000) 6.854 7.640 ( 0.000 12.910 -0.000) 12.910 7.640 ( 0.000 12.910 0.000) 12.910 7.883 ( -0.000 4.443 0.000) 4.443 7.883 ( 0.000 4.443 0.000) 4.443 8.160 ( -0.000 -3.861 0.000) 3.861 8.160 ( 0.000 -3.861 0.000) 3.861 8.268 ( -0.000 -1.511 0.000) 1.511 8.268 ( 0.000 -1.511 0.000) 1.511 8.883 ( -0.000 2.606 -0.000) 2.606 8.883 ( 0.000 2.606 0.000) 2.606 8.892 ( -0.000 5.592 0.000) 5.592 8.892 ( 0.000 5.592 0.000) 5.592 9.063 ( -0.000 0.036 -0.000) 0.036 9.063 ( -0.000 0.036 0.000) 0.036 9.080 ( 0.000 -6.283 -0.000) 6.283 9.080 ( 0.000 -6.283 0.000) 6.283 10.083 ( 0.000 1.700 0.000) 1.700 10.083 ( 0.000 1.700 0.000) 1.700 10.482 ( 0.000 -8.797 -0.000) 8.797 10.482 ( -0.000 -8.797 0.000) 8.797 11.973 ( -0.000 6.025 0.000) 6.025 11.973 ( 0.000 6.025 0.000) 6.025 12.086 ( -0.000 1.915 0.000) 1.915 12.086 ( 0.000 1.915 0.000) 1.915 17.396 ( -0.000 3.288 -0.000) 3.288 17.396 ( 0.000 3.288 0.000) 3.288 17.429 ( 0.000 2.231 -0.000) 2.231 17.429 ( 0.000 2.231 0.000) 2.231 17.924 ( -0.000 -0.895 -0.000) 0.895 17.924 ( 0.000 -0.895 0.000) 0.895 17.929 ( -0.000 -1.228 0.000) 1.228 17.929 ( 0.000 -1.228 0.000) 1.228 31.605 ( -0.000 0.528 -0.000) 0.528 31.605 ( 0.000 0.528 0.000) 0.528 31.620 ( -0.000 -0.106 0.000) 0.106 31.620 ( 0.000 -0.106 0.000) 0.106 50.909 ( -0.000 -5.225 -0.000) 5.225 50.909 ( 0.000 -5.225 -0.000) 5.225 51.141 ( -0.000 -12.616 0.000) 12.616 51.141 ( 0.000 -12.616 0.000) 12.616 ======================= Grid point 255 (82/84) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 0.000 6.313 -0.787) 6.362 3.263 ( 0.000 6.313 0.787) 6.362 3.466 ( 0.000 12.330 -6.136) 13.773 3.466 ( 0.000 12.330 6.136) 13.773 3.620 ( 0.000 -3.285 -6.924) 7.664 3.620 ( 0.000 -3.285 6.924) 7.664 3.814 ( 0.000 -1.137 -1.999) 2.300 3.814 ( 0.000 -1.137 1.999) 2.300 4.073 ( 0.000 3.835 -3.491) 5.186 4.073 ( 0.000 3.835 3.491) 5.186 4.340 ( 0.000 -0.443 -3.114) 3.145 4.340 ( 0.000 -0.443 3.114) 3.145 4.505 ( 0.000 -2.984 -0.345) 3.004 4.505 ( 0.000 -2.984 0.345) 3.004 4.800 ( 0.000 2.508 -1.767) 3.068 4.800 ( 0.000 2.508 1.767) 3.068 5.054 ( 0.000 8.708 -2.989) 9.206 5.054 ( 0.000 8.708 2.989) 9.206 5.164 ( 0.000 5.871 -1.101) 5.974 5.164 ( 0.000 5.871 1.101) 5.974 5.375 ( 0.000 -1.857 -3.342) 3.823 5.375 ( 0.000 -1.857 3.342) 3.823 5.504 ( 0.000 -0.034 -2.109) 2.110 5.504 ( 0.000 -0.034 2.109) 2.110 5.743 ( 0.000 -0.700 -2.742) 2.830 5.743 ( 0.000 -0.700 2.742) 2.830 5.937 ( 0.000 -5.993 -2.522) 6.502 5.937 ( 0.000 -5.993 2.522) 6.502 6.580 ( 0.000 -1.786 -3.212) 3.675 6.580 ( 0.000 -1.786 3.212) 3.675 6.649 ( 0.000 -5.363 -9.009) 10.484 6.649 ( 0.000 -5.363 9.009) 10.484 7.733 ( 0.000 3.164 -4.723) 5.685 7.733 ( 0.000 3.164 4.723) 5.685 8.083 ( 0.000 -0.269 -1.480) 1.504 8.083 ( 0.000 -0.269 1.480) 1.504 8.121 ( 0.000 -1.430 -0.471) 1.505 8.121 ( 0.000 -1.430 0.471) 1.505 8.328 ( 0.000 3.418 -0.031) 3.419 8.328 ( 0.000 3.418 0.031) 3.419 8.825 ( 0.000 0.716 -0.023) 0.716 8.825 ( 0.000 0.716 0.023) 0.716 8.964 ( 0.000 -2.835 -1.682) 3.296 8.964 ( 0.000 -2.835 1.682) 3.296 9.078 ( 0.000 3.741 -0.934) 3.856 9.078 ( 0.000 3.741 0.934) 3.856 9.135 ( 0.000 3.872 -1.679) 4.221 9.135 ( 0.000 3.872 1.679) 4.221 9.953 ( 0.000 1.279 -0.155) 1.289 9.953 ( 0.000 1.279 0.155) 1.289 10.457 ( 0.000 -5.171 -2.433) 5.714 10.457 ( 0.000 -5.171 2.433) 5.714 12.047 ( 0.000 1.084 -1.023) 1.491 12.047 ( 0.000 1.084 1.023) 1.491 12.113 ( 0.000 1.167 -0.555) 1.292 12.113 ( 0.000 1.167 0.555) 1.292 17.403 ( 0.000 1.079 -0.145) 1.089 17.403 ( 0.000 1.079 0.145) 1.089 17.495 ( 0.000 0.583 -1.411) 1.527 17.495 ( 0.000 0.583 1.411) 1.527 17.885 ( 0.000 -0.132 -0.010) 0.132 17.885 ( 0.000 -0.132 0.010) 0.132 17.936 ( 0.000 -0.540 -0.004) 0.540 17.936 ( 0.000 -0.540 0.004) 0.540 31.605 ( 0.000 -0.020 -0.024) 0.032 31.605 ( 0.000 -0.020 0.024) 0.032 31.628 ( 0.000 0.304 -0.063) 0.311 31.628 ( 0.000 0.304 0.063) 0.311 50.778 ( 0.000 -1.726 -1.147) 2.073 50.778 ( 0.000 -1.726 1.147) 2.073 51.030 ( 0.000 -4.428 -3.065) 5.385 51.030 ( 0.000 -4.428 3.065) 5.385 ======================= Grid point 257 (83/84) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 0.526 8.052 -2.157) 8.353 3.262 ( 0.526 8.052 2.157) 8.353 3.441 ( -5.366 4.791 -4.942) 8.728 3.441 ( -5.366 4.791 4.942) 8.728 3.613 ( 5.484 4.667 -4.771) 8.638 3.613 ( 5.484 4.667 4.771) 8.638 3.882 ( 2.638 4.405 -2.045) 5.527 3.882 ( 2.638 4.405 2.045) 5.527 4.115 ( 2.118 -3.650 -2.613) 4.963 4.115 ( 2.118 -3.650 2.613) 4.963 4.236 ( -7.377 -1.989 -3.749) 8.511 4.236 ( -7.377 -1.989 3.749) 8.511 4.562 ( 5.350 -1.970 -0.631) 5.736 4.562 ( 5.350 -1.970 0.631) 5.736 4.733 ( -4.053 6.065 -0.789) 7.337 4.733 ( -4.053 6.065 0.789) 7.337 4.953 ( -7.183 4.324 -2.747) 8.823 4.953 ( -7.183 4.324 2.747) 8.823 5.126 ( -5.511 -4.115 -1.948) 7.148 5.126 ( -5.511 -4.115 1.948) 7.148 5.418 ( 5.686 5.903 -1.143) 8.275 5.418 ( 5.686 5.903 1.143) 8.275 5.524 ( 1.121 3.696 -4.074) 5.613 5.524 ( 1.121 3.696 4.074) 5.613 5.850 ( 6.199 -0.324 -3.387) 7.072 5.850 ( 6.199 -0.324 3.387) 7.072 5.953 ( 0.727 -6.593 -2.042) 6.940 5.953 ( 0.727 -6.593 2.042) 6.940 6.582 ( 0.722 -0.776 -3.866) 4.008 6.582 ( 0.722 -0.776 3.866) 4.008 6.668 ( 1.237 -6.181 -6.941) 9.376 6.668 ( 1.237 -6.181 6.941) 9.376 7.759 ( 2.686 3.168 -4.121) 5.851 7.759 ( 2.686 3.168 4.121) 5.851 8.015 ( -5.568 0.283 -0.938) 5.653 8.015 ( -5.568 0.283 0.938) 5.653 8.141 ( 1.418 -0.020 -1.220) 1.870 8.141 ( 1.418 -0.020 1.220) 1.870 8.288 ( -3.080 1.805 -2.208) 4.198 8.288 ( -3.080 1.805 2.208) 4.198 8.867 ( 2.914 0.766 -1.108) 3.211 8.867 ( 2.914 0.766 1.108) 3.211 8.959 ( -0.525 -2.644 -1.345) 3.013 8.959 ( -0.525 -2.644 1.345) 3.013 9.060 ( -0.863 3.966 -1.680) 4.393 9.060 ( -0.863 3.966 1.680) 4.393 9.120 ( -1.309 2.523 -2.353) 3.690 9.120 ( -1.309 2.524 2.353) 3.690 10.032 ( 6.555 1.889 -1.425) 6.970 10.032 ( 6.555 1.889 1.425) 6.970 10.402 ( -4.843 -5.345 -2.567) 7.656 10.402 ( -4.843 -5.345 2.567) 7.656 12.053 ( 0.432 1.684 -1.512) 2.303 12.053 ( 0.432 1.684 1.512) 2.303 12.105 ( -0.633 0.511 -1.239) 1.482 12.105 ( -0.633 0.512 1.239) 1.482 17.416 ( 1.128 1.072 -0.429) 1.614 17.416 ( 1.128 1.072 0.429) 1.614 17.481 ( -1.170 0.630 -1.238) 1.816 17.481 ( -1.170 0.630 1.238) 1.816 17.893 ( 0.697 -0.211 -0.083) 0.733 17.893 ( 0.697 -0.211 0.083) 0.733 17.929 ( -0.626 -0.496 -0.088) 0.804 17.929 ( -0.626 -0.496 0.088) 0.804 31.608 ( 0.279 0.053 -0.045) 0.288 31.608 ( 0.279 0.053 0.045) 0.288 31.625 ( -0.272 0.224 -0.067) 0.358 31.625 ( -0.272 0.224 0.067) 0.358 50.811 ( 2.779 -1.330 -1.465) 3.412 50.811 ( 2.779 -1.330 1.465) 3.412 50.997 ( -2.772 -4.815 -2.756) 6.202 50.997 ( -2.772 -4.815 2.756) 6.202 ======================= Grid point 259 (84/84) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -0.000 8.898 0.000) 8.898 3.287 ( -0.000 8.898 0.000) 8.898 3.347 ( 0.000 4.394 -0.000) 4.394 3.347 ( 0.000 4.394 0.000) 4.394 3.739 ( 0.000 10.396 0.000) 10.396 3.739 ( 0.000 10.396 0.000) 10.396 3.886 ( -0.000 0.994 0.000) 0.994 3.886 ( 0.000 0.994 0.000) 0.994 4.076 ( -0.000 -0.897 0.000) 0.897 4.076 ( 0.000 -0.897 0.000) 0.897 4.182 ( -0.000 -7.939 -0.000) 7.939 4.182 ( 0.000 -7.939 0.000) 7.939 4.676 ( -0.000 5.046 0.000) 5.046 4.676 ( 0.000 5.046 0.000) 5.046 4.700 ( -0.000 -2.075 0.000) 2.075 4.700 ( 0.000 -2.075 0.000) 2.075 4.814 ( -0.000 7.464 0.000) 7.464 4.814 ( 0.000 7.464 0.000) 7.464 5.038 ( 0.000 -9.368 0.000) 9.368 5.038 ( -0.000 -9.368 0.000) 9.368 5.504 ( -0.000 8.341 -0.000) 8.341 5.504 ( 0.000 8.341 -0.000) 8.341 5.541 ( -0.000 5.057 0.000) 5.057 5.541 ( 0.000 5.057 0.000) 5.057 5.933 ( -0.000 -3.012 0.000) 3.012 5.933 ( 0.000 -3.012 0.000) 3.012 5.942 ( -0.000 -3.740 -0.000) 3.740 5.942 ( 0.000 -3.740 -0.000) 3.740 6.601 ( 0.000 0.383 -0.000) 0.383 6.601 ( 0.000 0.383 0.000) 0.383 6.683 ( -0.000 -7.441 -0.000) 7.441 6.683 ( 0.000 -7.441 0.000) 7.441 7.837 ( -0.000 5.749 -0.000) 5.749 7.837 ( 0.000 5.749 -0.000) 5.749 7.898 ( -0.000 -1.424 0.000) 1.424 7.898 ( 0.000 -1.424 0.000) 1.424 8.162 ( -0.000 3.874 0.000) 3.874 8.162 ( 0.000 3.874 0.000) 3.874 8.243 ( -0.000 -2.529 -0.000) 2.529 8.243 ( 0.000 -2.529 0.000) 2.529 8.907 ( 0.000 0.954 -0.000) 0.954 8.907 ( 0.000 0.954 0.000) 0.954 8.948 ( 0.000 -2.513 0.000) 2.513 8.948 ( 0.000 -2.513 0.000) 2.513 9.056 ( -0.000 4.382 0.000) 4.382 9.056 ( 0.000 4.382 0.000) 4.382 9.097 ( -0.000 1.024 0.000) 1.024 9.097 ( 0.000 1.024 0.000) 1.024 10.155 ( -0.000 5.589 0.000) 5.589 10.155 ( 0.000 5.589 0.000) 5.589 10.301 ( -0.000 -8.678 0.000) 8.678 10.301 ( 0.000 -8.678 0.000) 8.678 12.059 ( -0.000 2.897 0.000) 2.897 12.059 ( 0.000 2.897 0.000) 2.897 12.095 ( -0.000 -0.754 0.000) 0.754 12.095 ( 0.000 -0.754 0.000) 0.754 17.443 ( -0.000 1.434 -0.000) 1.434 17.443 ( -0.000 1.434 0.000) 1.434 17.454 ( 0.000 0.308 -0.000) 0.308 17.454 ( 0.000 0.308 0.000) 0.308 17.911 ( -0.000 -0.316 -0.000) 0.316 17.911 ( 0.000 -0.316 0.000) 0.316 17.912 ( -0.000 -0.426 0.000) 0.426 17.912 ( 0.000 -0.426 -0.000) 0.426 31.615 ( -0.000 0.350 -0.000) 0.350 31.615 ( 0.000 0.350 -0.000) 0.350 31.619 ( -0.000 -0.081 0.000) 0.081 31.619 ( 0.000 -0.081 0.000) 0.081 50.865 ( -0.000 0.860 -0.000) 0.860 50.865 ( 0.000 0.860 -0.000) 0.860 50.944 ( -0.000 -6.997 0.000) 6.997 50.944 ( 0.000 -6.997 0.000) 6.997 =================== 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 3/22464 10.0 550.508 833.658 1129.316 0.000 0.000 -0.000 3/22464 20.0 201.365 303.216 225.496 0.000 0.000 0.000 3/22464 30.0 74.749 122.127 75.571 0.000 0.000 0.000 3/22464 40.0 37.836 68.126 36.670 0.000 0.000 0.000 3/22464 50.0 23.647 45.949 22.622 0.000 0.000 0.000 3/22464 60.0 16.767 34.312 15.990 0.000 0.000 0.000 3/22464 70.0 12.861 27.245 12.265 0.000 0.000 0.000 3/22464 80.0 10.396 22.553 9.924 0.000 0.000 0.000 3/22464 90.0 8.718 19.240 8.334 0.000 0.000 0.000 3/22464 100.0 7.511 16.793 7.190 0.000 0.000 0.000 3/22464 110.0 6.605 14.918 6.332 0.000 0.000 0.000 3/22464 120.0 5.900 13.439 5.665 0.000 0.000 0.000 3/22464 130.0 5.337 12.242 5.132 0.000 0.000 0.000 3/22464 140.0 4.876 11.256 4.696 0.000 0.000 0.000 3/22464 150.0 4.492 10.429 4.332 0.000 0.000 0.000 3/22464 160.0 4.167 9.725 4.024 0.000 0.000 0.000 3/22464 170.0 3.888 9.121 3.759 0.000 0.000 0.000 3/22464 180.0 3.646 8.596 3.529 0.000 0.000 0.000 3/22464 190.0 3.433 8.137 3.328 0.000 0.000 0.000 3/22464 200.0 3.245 7.732 3.149 0.000 0.000 0.000 3/22464 210.0 3.078 7.373 2.989 0.000 0.000 0.000 3/22464 220.0 2.927 7.052 2.846 0.000 0.000 0.000 3/22464 230.0 2.791 6.764 2.717 0.000 0.000 0.000 3/22464 240.0 2.668 6.504 2.599 0.000 0.000 0.000 3/22464 250.0 2.555 6.269 2.492 0.000 0.000 0.000 3/22464 260.0 2.452 6.054 2.393 0.000 0.000 0.000 3/22464 270.0 2.357 5.858 2.303 0.000 0.000 0.000 3/22464 280.0 2.270 5.677 2.219 0.000 0.000 0.000 3/22464 290.0 2.189 5.510 2.142 0.000 0.000 0.000 3/22464 300.0 2.113 5.356 2.070 0.000 0.000 0.000 3/22464 310.0 2.043 5.213 2.003 0.000 0.000 0.000 3/22464 320.0 1.978 5.079 1.940 0.000 0.000 0.000 3/22464 330.0 1.916 4.953 1.881 0.000 0.000 0.000 3/22464 340.0 1.859 4.835 1.826 0.000 0.000 0.000 3/22464 350.0 1.805 4.724 1.774 0.000 0.000 0.000 3/22464 360.0 1.754 4.620 1.725 0.000 0.000 0.000 3/22464 370.0 1.706 4.520 1.679 0.000 0.000 0.000 3/22464 380.0 1.660 4.426 1.635 0.000 0.000 0.000 3/22464 390.0 1.617 4.337 1.594 0.000 0.000 0.000 3/22464 400.0 1.576 4.251 1.554 0.000 0.000 0.000 3/22464 410.0 1.537 4.170 1.517 0.000 0.000 0.000 3/22464 420.0 1.501 4.091 1.482 0.000 0.000 0.000 3/22464 430.0 1.466 4.017 1.448 0.000 0.000 0.000 3/22464 440.0 1.432 3.945 1.415 0.000 0.000 0.000 3/22464 450.0 1.400 3.876 1.385 0.000 0.000 0.000 3/22464 460.0 1.370 3.810 1.355 0.000 0.000 0.000 3/22464 470.0 1.340 3.746 1.327 0.000 0.000 0.000 3/22464 480.0 1.313 3.684 1.300 0.000 0.000 0.000 3/22464 490.0 1.286 3.624 1.274 0.000 0.000 0.000 3/22464 500.0 1.260 3.567 1.249 0.000 0.000 0.000 3/22464 510.0 1.235 3.511 1.225 0.000 0.000 0.000 3/22464 520.0 1.212 3.457 1.203 0.000 0.000 0.000 3/22464 530.0 1.189 3.405 1.180 0.000 0.000 0.000 3/22464 540.0 1.167 3.355 1.159 0.000 0.000 0.000 3/22464 550.0 1.146 3.306 1.139 0.000 0.000 0.000 3/22464 560.0 1.126 3.258 1.119 0.000 0.000 0.000 3/22464 570.0 1.106 3.212 1.100 0.000 0.000 0.000 3/22464 580.0 1.087 3.167 1.082 0.000 0.000 0.000 3/22464 590.0 1.069 3.123 1.064 0.000 0.000 0.000 3/22464 600.0 1.051 3.081 1.047 0.000 0.000 0.000 3/22464 610.0 1.034 3.040 1.030 0.000 0.000 0.000 3/22464 620.0 1.018 2.999 1.014 0.000 0.000 0.000 3/22464 630.0 1.002 2.960 0.998 0.000 0.000 0.000 3/22464 640.0 0.986 2.922 0.983 0.000 0.000 0.000 3/22464 650.0 0.971 2.885 0.969 0.000 0.000 0.000 3/22464 660.0 0.957 2.849 0.955 0.000 0.000 0.000 3/22464 670.0 0.943 2.813 0.941 0.000 0.000 0.000 3/22464 680.0 0.929 2.779 0.927 0.000 0.000 0.000 3/22464 690.0 0.916 2.745 0.915 0.000 0.000 0.000 3/22464 700.0 0.903 2.712 0.902 0.000 0.000 0.000 3/22464 710.0 0.890 2.680 0.890 0.000 0.000 0.000 3/22464 720.0 0.878 2.649 0.878 0.000 0.000 0.000 3/22464 730.0 0.866 2.618 0.866 0.000 0.000 0.000 3/22464 740.0 0.855 2.588 0.855 0.000 0.000 0.000 3/22464 750.0 0.844 2.559 0.844 0.000 0.000 0.000 3/22464 760.0 0.833 2.530 0.833 0.000 0.000 0.000 3/22464 770.0 0.822 2.502 0.823 0.000 0.000 0.000 3/22464 780.0 0.812 2.475 0.813 0.000 0.000 0.000 3/22464 790.0 0.802 2.448 0.803 0.000 0.000 0.000 3/22464 800.0 0.792 2.422 0.793 0.000 0.000 0.000 3/22464 810.0 0.782 2.396 0.784 0.000 0.000 0.000 3/22464 820.0 0.773 2.371 0.775 0.000 0.000 0.000 3/22464 830.0 0.764 2.346 0.766 0.000 0.000 0.000 3/22464 840.0 0.755 2.322 0.757 0.000 0.000 0.000 3/22464 850.0 0.746 2.298 0.748 0.000 0.000 0.000 3/22464 860.0 0.738 2.275 0.740 0.000 0.000 0.000 3/22464 870.0 0.729 2.252 0.732 0.000 0.000 0.000 3/22464 880.0 0.721 2.230 0.724 0.000 0.000 0.000 3/22464 890.0 0.713 2.208 0.716 0.000 0.000 0.000 3/22464 900.0 0.706 2.187 0.709 0.000 0.000 0.000 3/22464 910.0 0.698 2.166 0.701 0.000 0.000 0.000 3/22464 920.0 0.691 2.145 0.694 0.000 0.000 0.000 3/22464 930.0 0.683 2.125 0.687 0.000 0.000 0.000 3/22464 940.0 0.676 2.105 0.680 0.000 0.000 0.000 3/22464 950.0 0.669 2.086 0.673 0.000 0.000 0.000 3/22464 960.0 0.663 2.066 0.666 0.000 0.000 0.000 3/22464 970.0 0.656 2.048 0.660 0.000 0.000 0.000 3/22464 980.0 0.649 2.029 0.653 0.000 0.000 0.000 3/22464 990.0 0.643 2.011 0.647 0.000 0.000 0.000 3/22464 1000.0 0.637 1.993 0.641 0.000 0.000 0.000 3/22464 Thermal conductivity related properties were written into "kappa-m4136.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:34:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|