----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:04:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.712320520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.226468820000000 Atomic positions (fractional): *1 Sm 0.06018365160196 0.75000000000000 0.24839998764732 150.360 2 Sm 0.43981634839804 0.25000000000000 0.74839998764732 150.360 3 Sm 0.56018365160196 0.75000000000000 0.25160001235268 150.360 4 Sm 0.93981634839804 0.25000000000000 0.75160001235268 150.360 *5 H 0.11835652483230 0.75000000000000 0.70107321407788 1.008 *6 H 0.15633860563897 0.25000000000000 0.94648588436362 1.008 7 H 0.34366139436103 0.75000000000000 0.44648588436362 1.008 8 H 0.38164347516770 0.25000000000000 0.20107321407788 1.008 9 H 0.61835652483230 0.75000000000000 0.79892678592212 1.008 10 H 0.65633860563897 0.25000000000000 0.55351411563638 1.008 11 H 0.84366139436103 0.75000000000000 0.05351411563638 1.008 12 H 0.88164347516770 0.25000000000000 0.29892678592212 1.008 *13 Cl 0.22216160792925 0.25000000000000 0.40299319390985 35.453 14 Cl 0.27783839207075 0.75000000000000 0.90299319390985 35.453 15 Cl 0.72216160792925 0.25000000000000 0.09700680609015 35.453 16 Cl 0.77783839207075 0.75000000000000 0.59700680609015 35.453 *17 O 0.04695310044840 0.75000000000000 0.63255605867800 15.999 *18 O 0.08231755836432 0.25000000000000 0.00146689515537 15.999 19 O 0.41768244163568 0.75000000000000 0.50146689515537 15.999 20 O 0.45304689955160 0.25000000000000 0.13255605867800 15.999 21 O 0.54695310044840 0.75000000000000 0.86744394132200 15.999 22 O 0.58231755836432 0.25000000000000 0.49853310484463 15.999 23 O 0.91768244163568 0.75000000000000 0.99853310484463 15.999 24 O 0.95304689955160 0.25000000000000 0.36744394132200 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.712320520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.226468820000000 Atomic positions (fractional): *1 Sm 0.06018365160196 0.75000000000000 0.24839998764732 150.360 > 1 2 Sm 0.43981634839804 0.25000000000000 0.74839998764732 150.360 > 2 3 Sm 0.56018365160196 0.75000000000000 0.25160001235268 150.360 > 3 4 Sm 0.93981634839804 0.25000000000000 0.75160001235268 150.360 > 4 *5 H 0.11835652483230 0.75000000000000 0.70107321407788 1.008 > 5 *6 H 0.15633860563897 0.25000000000000 0.94648588436362 1.008 > 6 7 H 0.34366139436103 0.75000000000000 0.44648588436362 1.008 > 7 8 H 0.38164347516770 0.25000000000000 0.20107321407788 1.008 > 8 9 H 0.61835652483230 0.75000000000000 0.79892678592212 1.008 > 9 10 H 0.65633860563897 0.25000000000000 0.55351411563638 1.008 > 10 11 H 0.84366139436103 0.75000000000000 0.05351411563638 1.008 > 11 12 H 0.88164347516770 0.25000000000000 0.29892678592212 1.008 > 12 *13 Cl 0.22216160792925 0.25000000000000 0.40299319390985 35.453 > 13 14 Cl 0.27783839207075 0.75000000000000 0.90299319390985 35.453 > 14 15 Cl 0.72216160792925 0.25000000000000 0.09700680609015 35.453 > 15 16 Cl 0.77783839207075 0.75000000000000 0.59700680609015 35.453 > 16 *17 O 0.04695310044840 0.75000000000000 0.63255605867800 15.999 > 17 *18 O 0.08231755836432 0.25000000000000 0.00146689515537 15.999 > 18 19 O 0.41768244163568 0.75000000000000 0.50146689515537 15.999 > 19 20 O 0.45304689955160 0.25000000000000 0.13255605867800 15.999 > 20 21 O 0.54695310044840 0.75000000000000 0.86744394132200 15.999 > 21 22 O 0.58231755836432 0.25000000000000 0.49853310484463 15.999 > 22 23 O 0.91768244163568 0.75000000000000 0.99853310484463 15.999 > 23 24 O 0.95304689955160 0.25000000000000 0.36744394132200 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136961560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.452937640000000 Atomic positions (fractional): *1 Sm 0.06018365160196 0.25000000000000 0.12419999382366 150.360 > 1 2 Sm 0.06018365160196 0.58333333333333 0.12419999382366 150.360 > 1 3 Sm 0.06018365160196 0.91666666666667 0.12419999382366 150.360 > 1 4 Sm 0.06018365160196 0.25000000000000 0.62419999382366 150.360 > 1 5 Sm 0.06018365160196 0.58333333333333 0.62419999382366 150.360 > 1 6 Sm 0.06018365160196 0.91666666666667 0.62419999382366 150.360 > 1 7 Sm 0.43981634839804 0.08333333333333 0.37419999382366 150.360 > 2 8 Sm 0.43981634839804 0.41666666666667 0.37419999382366 150.360 > 2 9 Sm 0.43981634839804 0.75000000000000 0.37419999382366 150.360 > 2 10 Sm 0.43981634839804 0.08333333333333 0.87419999382366 150.360 > 2 11 Sm 0.43981634839804 0.41666666666667 0.87419999382366 150.360 > 2 12 Sm 0.43981634839804 0.75000000000000 0.87419999382366 150.360 > 2 13 Sm 0.56018365160196 0.25000000000000 0.12580000617634 150.360 > 3 14 Sm 0.56018365160196 0.58333333333333 0.12580000617634 150.360 > 3 15 Sm 0.56018365160196 0.91666666666667 0.12580000617634 150.360 > 3 16 Sm 0.56018365160196 0.25000000000000 0.62580000617634 150.360 > 3 17 Sm 0.56018365160196 0.58333333333333 0.62580000617634 150.360 > 3 18 Sm 0.56018365160196 0.91666666666667 0.62580000617634 150.360 > 3 19 Sm 0.93981634839804 0.08333333333333 0.37580000617634 150.360 > 4 20 Sm 0.93981634839804 0.41666666666667 0.37580000617634 150.360 > 4 21 Sm 0.93981634839804 0.75000000000000 0.37580000617634 150.360 > 4 22 Sm 0.93981634839804 0.08333333333333 0.87580000617634 150.360 > 4 23 Sm 0.93981634839804 0.41666666666667 0.87580000617634 150.360 > 4 24 Sm 0.93981634839804 0.75000000000000 0.87580000617634 150.360 > 4 *25 H 0.11835652483230 0.25000000000000 0.35053660703894 1.008 > 5 26 H 0.11835652483230 0.58333333333333 0.35053660703894 1.008 > 5 27 H 0.11835652483230 0.91666666666667 0.35053660703894 1.008 > 5 28 H 0.11835652483230 0.25000000000000 0.85053660703894 1.008 > 5 29 H 0.11835652483230 0.58333333333333 0.85053660703894 1.008 > 5 30 H 0.11835652483230 0.91666666666667 0.85053660703894 1.008 > 5 *31 H 0.15633860563897 0.08333333333333 0.47324294218181 1.008 > 6 32 H 0.15633860563897 0.41666666666667 0.47324294218181 1.008 > 6 33 H 0.15633860563897 0.75000000000000 0.47324294218181 1.008 > 6 34 H 0.15633860563897 0.08333333333333 0.97324294218181 1.008 > 6 35 H 0.15633860563897 0.41666666666667 0.97324294218181 1.008 > 6 36 H 0.15633860563897 0.75000000000000 0.97324294218181 1.008 > 6 37 H 0.34366139436103 0.25000000000000 0.22324294218181 1.008 > 7 38 H 0.34366139436103 0.58333333333333 0.22324294218181 1.008 > 7 39 H 0.34366139436103 0.91666666666667 0.22324294218181 1.008 > 7 40 H 0.34366139436103 0.25000000000000 0.72324294218181 1.008 > 7 41 H 0.34366139436103 0.58333333333333 0.72324294218181 1.008 > 7 42 H 0.34366139436103 0.91666666666667 0.72324294218181 1.008 > 7 43 H 0.38164347516770 0.08333333333333 0.10053660703894 1.008 > 8 44 H 0.38164347516770 0.41666666666667 0.10053660703894 1.008 > 8 45 H 0.38164347516770 0.75000000000000 0.10053660703894 1.008 > 8 46 H 0.38164347516770 0.08333333333333 0.60053660703894 1.008 > 8 47 H 0.38164347516770 0.41666666666667 0.60053660703894 1.008 > 8 48 H 0.38164347516770 0.75000000000000 0.60053660703894 1.008 > 8 49 H 0.61835652483230 0.25000000000000 0.39946339296106 1.008 > 9 50 H 0.61835652483230 0.58333333333333 0.39946339296106 1.008 > 9 51 H 0.61835652483230 0.91666666666667 0.39946339296106 1.008 > 9 52 H 0.61835652483230 0.25000000000000 0.89946339296106 1.008 > 9 53 H 0.61835652483230 0.58333333333333 0.89946339296106 1.008 > 9 54 H 0.61835652483230 0.91666666666667 0.89946339296106 1.008 > 9 55 H 0.65633860563897 0.08333333333333 0.27675705781819 1.008 > 10 56 H 0.65633860563897 0.41666666666667 0.27675705781819 1.008 > 10 57 H 0.65633860563897 0.75000000000000 0.27675705781819 1.008 > 10 58 H 0.65633860563897 0.08333333333333 0.77675705781819 1.008 > 10 59 H 0.65633860563897 0.41666666666667 0.77675705781819 1.008 > 10 60 H 0.65633860563897 0.75000000000000 0.77675705781819 1.008 > 10 61 H 0.84366139436103 0.25000000000000 0.02675705781819 1.008 > 11 62 H 0.84366139436103 0.58333333333333 0.02675705781819 1.008 > 11 63 H 0.84366139436103 0.91666666666667 0.02675705781819 1.008 > 11 64 H 0.84366139436103 0.25000000000000 0.52675705781819 1.008 > 11 65 H 0.84366139436103 0.58333333333333 0.52675705781819 1.008 > 11 66 H 0.84366139436103 0.91666666666667 0.52675705781819 1.008 > 11 67 H 0.88164347516770 0.08333333333333 0.14946339296106 1.008 > 12 68 H 0.88164347516770 0.41666666666667 0.14946339296106 1.008 > 12 69 H 0.88164347516770 0.75000000000000 0.14946339296106 1.008 > 12 70 H 0.88164347516770 0.08333333333333 0.64946339296106 1.008 > 12 71 H 0.88164347516770 0.41666666666667 0.64946339296106 1.008 > 12 72 H 0.88164347516770 0.75000000000000 0.64946339296106 1.008 > 12 *73 Cl 0.22216160792925 0.08333333333333 0.20149659695493 35.453 > 13 74 Cl 0.22216160792925 0.41666666666667 0.20149659695493 35.453 > 13 75 Cl 0.22216160792925 0.75000000000000 0.20149659695493 35.453 > 13 76 Cl 0.22216160792925 0.08333333333333 0.70149659695493 35.453 > 13 77 Cl 0.22216160792925 0.41666666666667 0.70149659695493 35.453 > 13 78 Cl 0.22216160792925 0.75000000000000 0.70149659695493 35.453 > 13 79 Cl 0.27783839207075 0.25000000000000 0.45149659695493 35.453 > 14 80 Cl 0.27783839207075 0.58333333333333 0.45149659695493 35.453 > 14 81 Cl 0.27783839207075 0.91666666666667 0.45149659695493 35.453 > 14 82 Cl 0.27783839207075 0.25000000000000 0.95149659695493 35.453 > 14 83 Cl 0.27783839207075 0.58333333333333 0.95149659695493 35.453 > 14 84 Cl 0.27783839207075 0.91666666666667 0.95149659695493 35.453 > 14 85 Cl 0.72216160792925 0.08333333333333 0.04850340304507 35.453 > 15 86 Cl 0.72216160792925 0.41666666666667 0.04850340304507 35.453 > 15 87 Cl 0.72216160792925 0.75000000000000 0.04850340304507 35.453 > 15 88 Cl 0.72216160792925 0.08333333333333 0.54850340304507 35.453 > 15 89 Cl 0.72216160792925 0.41666666666667 0.54850340304507 35.453 > 15 90 Cl 0.72216160792925 0.75000000000000 0.54850340304507 35.453 > 15 91 Cl 0.77783839207075 0.25000000000000 0.29850340304507 35.453 > 16 92 Cl 0.77783839207075 0.58333333333333 0.29850340304507 35.453 > 16 93 Cl 0.77783839207075 0.91666666666667 0.29850340304507 35.453 > 16 94 Cl 0.77783839207075 0.25000000000000 0.79850340304507 35.453 > 16 95 Cl 0.77783839207075 0.58333333333333 0.79850340304507 35.453 > 16 96 Cl 0.77783839207075 0.91666666666667 0.79850340304507 35.453 > 16 *97 O 0.04695310044840 0.25000000000000 0.31627802933900 15.999 > 17 98 O 0.04695310044840 0.58333333333333 0.31627802933900 15.999 > 17 99 O 0.04695310044840 0.91666666666667 0.31627802933900 15.999 > 17 100 O 0.04695310044840 0.25000000000000 0.81627802933900 15.999 > 17 101 O 0.04695310044840 0.58333333333333 0.81627802933900 15.999 > 17 102 O 0.04695310044840 0.91666666666667 0.81627802933900 15.999 > 17 *103 O 0.08231755836432 0.08333333333333 0.00073344757769 15.999 > 18 104 O 0.08231755836432 0.41666666666667 0.00073344757769 15.999 > 18 105 O 0.08231755836432 0.75000000000000 0.00073344757769 15.999 > 18 106 O 0.08231755836432 0.08333333333333 0.50073344757769 15.999 > 18 107 O 0.08231755836432 0.41666666666667 0.50073344757769 15.999 > 18 108 O 0.08231755836432 0.75000000000000 0.50073344757769 15.999 > 18 109 O 0.41768244163568 0.25000000000000 0.25073344757769 15.999 > 19 110 O 0.41768244163568 0.58333333333333 0.25073344757769 15.999 > 19 111 O 0.41768244163568 0.91666666666667 0.25073344757769 15.999 > 19 112 O 0.41768244163568 0.25000000000000 0.75073344757769 15.999 > 19 113 O 0.41768244163568 0.58333333333333 0.75073344757769 15.999 > 19 114 O 0.41768244163568 0.91666666666667 0.75073344757769 15.999 > 19 115 O 0.45304689955160 0.08333333333333 0.06627802933900 15.999 > 20 116 O 0.45304689955160 0.41666666666667 0.06627802933900 15.999 > 20 117 O 0.45304689955160 0.75000000000000 0.06627802933900 15.999 > 20 118 O 0.45304689955160 0.08333333333333 0.56627802933900 15.999 > 20 119 O 0.45304689955160 0.41666666666667 0.56627802933900 15.999 > 20 120 O 0.45304689955160 0.75000000000000 0.56627802933900 15.999 > 20 121 O 0.54695310044840 0.25000000000000 0.43372197066100 15.999 > 21 122 O 0.54695310044840 0.58333333333333 0.43372197066100 15.999 > 21 123 O 0.54695310044840 0.91666666666667 0.43372197066100 15.999 > 21 124 O 0.54695310044840 0.25000000000000 0.93372197066100 15.999 > 21 125 O 0.54695310044840 0.58333333333333 0.93372197066100 15.999 > 21 126 O 0.54695310044840 0.91666666666667 0.93372197066100 15.999 > 21 127 O 0.58231755836432 0.08333333333333 0.24926655242231 15.999 > 22 128 O 0.58231755836432 0.41666666666667 0.24926655242231 15.999 > 22 129 O 0.58231755836432 0.75000000000000 0.24926655242231 15.999 > 22 130 O 0.58231755836432 0.08333333333333 0.74926655242231 15.999 > 22 131 O 0.58231755836432 0.41666666666667 0.74926655242231 15.999 > 22 132 O 0.58231755836432 0.75000000000000 0.74926655242231 15.999 > 22 133 O 0.91768244163568 0.25000000000000 0.49926655242231 15.999 > 23 134 O 0.91768244163568 0.58333333333333 0.49926655242231 15.999 > 23 135 O 0.91768244163568 0.91666666666667 0.49926655242231 15.999 > 23 136 O 0.91768244163568 0.25000000000000 0.99926655242231 15.999 > 23 137 O 0.91768244163568 0.58333333333333 0.99926655242231 15.999 > 23 138 O 0.91768244163568 0.91666666666667 0.99926655242231 15.999 > 23 139 O 0.95304689955160 0.08333333333333 0.18372197066100 15.999 > 24 140 O 0.95304689955160 0.41666666666667 0.18372197066100 15.999 > 24 141 O 0.95304689955160 0.75000000000000 0.18372197066100 15.999 > 24 142 O 0.95304689955160 0.08333333333333 0.68372197066100 15.999 > 24 143 O 0.95304689955160 0.41666666666667 0.68372197066100 15.999 > 24 144 O 0.95304689955160 0.75000000000000 0.68372197066100 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6940404 0.0000000 0.0000000 0.0000000 3.7815641 0.0000000 0.0000000 0.0000000 3.5824435 -------------------------- Born effective charges -------------------------- 1 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 2 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 3 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 4 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 5 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 6 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 7 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 8 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 9 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 10 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 11 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 12 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 13 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 14 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 15 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 16 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 17 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 18 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 19 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 20 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 21 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 22 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 23 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 24 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 ---------------------------------------------------------------------------- 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) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 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, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.742 Solver_block: 200 / 400 - Time: 0.711 Solver_block: 300 / 400 - Time: 0.720 Solver_block: 400 / 400 - Time: 0.703 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.951 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 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, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-09 00:05:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:05:13]------------------------- 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 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.712320520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.226468820000000 Atomic positions (fractional): 1 Sm 0.06018365160196 0.75000000000000 0.24839998764732 150.360 2 Sm 0.43981634839804 0.25000000000000 0.74839998764732 150.360 3 Sm 0.56018365160196 0.75000000000000 0.25160001235268 150.360 4 Sm 0.93981634839804 0.25000000000000 0.75160001235268 150.360 5 H 0.11835652483230 0.75000000000000 0.70107321407788 1.008 6 H 0.15633860563897 0.25000000000000 0.94648588436362 1.008 7 H 0.34366139436103 0.75000000000000 0.44648588436362 1.008 8 H 0.38164347516770 0.25000000000000 0.20107321407788 1.008 9 H 0.61835652483230 0.75000000000000 0.79892678592212 1.008 10 H 0.65633860563897 0.25000000000000 0.55351411563638 1.008 11 H 0.84366139436103 0.75000000000000 0.05351411563638 1.008 12 H 0.88164347516770 0.25000000000000 0.29892678592212 1.008 13 Cl 0.22216160792925 0.25000000000000 0.40299319390985 35.453 14 Cl 0.27783839207075 0.75000000000000 0.90299319390985 35.453 15 Cl 0.72216160792925 0.25000000000000 0.09700680609015 35.453 16 Cl 0.77783839207075 0.75000000000000 0.59700680609015 35.453 17 O 0.04695310044840 0.75000000000000 0.63255605867800 15.999 18 O 0.08231755836432 0.25000000000000 0.00146689515537 15.999 19 O 0.41768244163568 0.75000000000000 0.50146689515537 15.999 20 O 0.45304689955160 0.25000000000000 0.13255605867800 15.999 21 O 0.54695310044840 0.75000000000000 0.86744394132200 15.999 22 O 0.58231755836432 0.25000000000000 0.49853310484463 15.999 23 O 0.91768244163568 0.75000000000000 0.99853310484463 15.999 24 O 0.95304689955160 0.25000000000000 0.36744394132200 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136961560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.452937640000000 Atomic positions (fractional): 1 Sm 0.06018365160196 0.25000000000000 0.12419999382366 150.360 > 1 2 Sm 0.06018365160196 0.58333333333333 0.12419999382366 150.360 > 1 3 Sm 0.06018365160196 0.91666666666667 0.12419999382366 150.360 > 1 4 Sm 0.06018365160196 0.25000000000000 0.62419999382366 150.360 > 1 5 Sm 0.06018365160196 0.58333333333333 0.62419999382366 150.360 > 1 6 Sm 0.06018365160196 0.91666666666667 0.62419999382366 150.360 > 1 7 Sm 0.43981634839804 0.08333333333333 0.37419999382366 150.360 > 7 8 Sm 0.43981634839804 0.41666666666667 0.37419999382366 150.360 > 7 9 Sm 0.43981634839804 0.75000000000000 0.37419999382366 150.360 > 7 10 Sm 0.43981634839804 0.08333333333333 0.87419999382366 150.360 > 7 11 Sm 0.43981634839804 0.41666666666667 0.87419999382366 150.360 > 7 12 Sm 0.43981634839804 0.75000000000000 0.87419999382366 150.360 > 7 13 Sm 0.56018365160196 0.25000000000000 0.12580000617634 150.360 > 13 14 Sm 0.56018365160196 0.58333333333333 0.12580000617634 150.360 > 13 15 Sm 0.56018365160196 0.91666666666667 0.12580000617634 150.360 > 13 16 Sm 0.56018365160196 0.25000000000000 0.62580000617634 150.360 > 13 17 Sm 0.56018365160196 0.58333333333333 0.62580000617634 150.360 > 13 18 Sm 0.56018365160196 0.91666666666667 0.62580000617634 150.360 > 13 19 Sm 0.93981634839804 0.08333333333333 0.37580000617634 150.360 > 19 20 Sm 0.93981634839804 0.41666666666667 0.37580000617634 150.360 > 19 21 Sm 0.93981634839804 0.75000000000000 0.37580000617634 150.360 > 19 22 Sm 0.93981634839804 0.08333333333333 0.87580000617634 150.360 > 19 23 Sm 0.93981634839804 0.41666666666667 0.87580000617634 150.360 > 19 24 Sm 0.93981634839804 0.75000000000000 0.87580000617634 150.360 > 19 25 H 0.11835652483230 0.25000000000000 0.35053660703894 1.008 > 25 26 H 0.11835652483230 0.58333333333333 0.35053660703894 1.008 > 25 27 H 0.11835652483230 0.91666666666667 0.35053660703894 1.008 > 25 28 H 0.11835652483230 0.25000000000000 0.85053660703894 1.008 > 25 29 H 0.11835652483230 0.58333333333333 0.85053660703894 1.008 > 25 30 H 0.11835652483230 0.91666666666667 0.85053660703894 1.008 > 25 31 H 0.15633860563897 0.08333333333333 0.47324294218181 1.008 > 31 32 H 0.15633860563897 0.41666666666667 0.47324294218181 1.008 > 31 33 H 0.15633860563897 0.75000000000000 0.47324294218181 1.008 > 31 34 H 0.15633860563897 0.08333333333333 0.97324294218181 1.008 > 31 35 H 0.15633860563897 0.41666666666667 0.97324294218181 1.008 > 31 36 H 0.15633860563897 0.75000000000000 0.97324294218181 1.008 > 31 37 H 0.34366139436103 0.25000000000000 0.22324294218181 1.008 > 37 38 H 0.34366139436103 0.58333333333333 0.22324294218181 1.008 > 37 39 H 0.34366139436103 0.91666666666667 0.22324294218181 1.008 > 37 40 H 0.34366139436103 0.25000000000000 0.72324294218181 1.008 > 37 41 H 0.34366139436103 0.58333333333333 0.72324294218181 1.008 > 37 42 H 0.34366139436103 0.91666666666667 0.72324294218181 1.008 > 37 43 H 0.38164347516770 0.08333333333333 0.10053660703894 1.008 > 43 44 H 0.38164347516770 0.41666666666667 0.10053660703894 1.008 > 43 45 H 0.38164347516770 0.75000000000000 0.10053660703894 1.008 > 43 46 H 0.38164347516770 0.08333333333333 0.60053660703894 1.008 > 43 47 H 0.38164347516770 0.41666666666667 0.60053660703894 1.008 > 43 48 H 0.38164347516770 0.75000000000000 0.60053660703894 1.008 > 43 49 H 0.61835652483230 0.25000000000000 0.39946339296106 1.008 > 49 50 H 0.61835652483230 0.58333333333333 0.39946339296106 1.008 > 49 51 H 0.61835652483230 0.91666666666667 0.39946339296106 1.008 > 49 52 H 0.61835652483230 0.25000000000000 0.89946339296106 1.008 > 49 53 H 0.61835652483230 0.58333333333333 0.89946339296106 1.008 > 49 54 H 0.61835652483230 0.91666666666667 0.89946339296106 1.008 > 49 55 H 0.65633860563897 0.08333333333333 0.27675705781819 1.008 > 55 56 H 0.65633860563897 0.41666666666667 0.27675705781819 1.008 > 55 57 H 0.65633860563897 0.75000000000000 0.27675705781819 1.008 > 55 58 H 0.65633860563897 0.08333333333333 0.77675705781819 1.008 > 55 59 H 0.65633860563897 0.41666666666667 0.77675705781819 1.008 > 55 60 H 0.65633860563897 0.75000000000000 0.77675705781819 1.008 > 55 61 H 0.84366139436103 0.25000000000000 0.02675705781819 1.008 > 61 62 H 0.84366139436103 0.58333333333333 0.02675705781819 1.008 > 61 63 H 0.84366139436103 0.91666666666667 0.02675705781819 1.008 > 61 64 H 0.84366139436103 0.25000000000000 0.52675705781819 1.008 > 61 65 H 0.84366139436103 0.58333333333333 0.52675705781819 1.008 > 61 66 H 0.84366139436103 0.91666666666667 0.52675705781819 1.008 > 61 67 H 0.88164347516770 0.08333333333333 0.14946339296106 1.008 > 67 68 H 0.88164347516770 0.41666666666667 0.14946339296106 1.008 > 67 69 H 0.88164347516770 0.75000000000000 0.14946339296106 1.008 > 67 70 H 0.88164347516770 0.08333333333333 0.64946339296106 1.008 > 67 71 H 0.88164347516770 0.41666666666667 0.64946339296106 1.008 > 67 72 H 0.88164347516770 0.75000000000000 0.64946339296106 1.008 > 67 73 Cl 0.22216160792925 0.08333333333333 0.20149659695493 35.453 > 73 74 Cl 0.22216160792925 0.41666666666667 0.20149659695493 35.453 > 73 75 Cl 0.22216160792925 0.75000000000000 0.20149659695493 35.453 > 73 76 Cl 0.22216160792925 0.08333333333333 0.70149659695493 35.453 > 73 77 Cl 0.22216160792925 0.41666666666667 0.70149659695493 35.453 > 73 78 Cl 0.22216160792925 0.75000000000000 0.70149659695493 35.453 > 73 79 Cl 0.27783839207075 0.25000000000000 0.45149659695493 35.453 > 79 80 Cl 0.27783839207075 0.58333333333333 0.45149659695493 35.453 > 79 81 Cl 0.27783839207075 0.91666666666667 0.45149659695493 35.453 > 79 82 Cl 0.27783839207075 0.25000000000000 0.95149659695493 35.453 > 79 83 Cl 0.27783839207075 0.58333333333333 0.95149659695493 35.453 > 79 84 Cl 0.27783839207075 0.91666666666667 0.95149659695493 35.453 > 79 85 Cl 0.72216160792925 0.08333333333333 0.04850340304507 35.453 > 85 86 Cl 0.72216160792925 0.41666666666667 0.04850340304507 35.453 > 85 87 Cl 0.72216160792925 0.75000000000000 0.04850340304507 35.453 > 85 88 Cl 0.72216160792925 0.08333333333333 0.54850340304507 35.453 > 85 89 Cl 0.72216160792925 0.41666666666667 0.54850340304507 35.453 > 85 90 Cl 0.72216160792925 0.75000000000000 0.54850340304507 35.453 > 85 91 Cl 0.77783839207075 0.25000000000000 0.29850340304507 35.453 > 91 92 Cl 0.77783839207075 0.58333333333333 0.29850340304507 35.453 > 91 93 Cl 0.77783839207075 0.91666666666667 0.29850340304507 35.453 > 91 94 Cl 0.77783839207075 0.25000000000000 0.79850340304507 35.453 > 91 95 Cl 0.77783839207075 0.58333333333333 0.79850340304507 35.453 > 91 96 Cl 0.77783839207075 0.91666666666667 0.79850340304507 35.453 > 91 97 O 0.04695310044840 0.25000000000000 0.31627802933900 15.999 > 97 98 O 0.04695310044840 0.58333333333333 0.31627802933900 15.999 > 97 99 O 0.04695310044840 0.91666666666667 0.31627802933900 15.999 > 97 100 O 0.04695310044840 0.25000000000000 0.81627802933900 15.999 > 97 101 O 0.04695310044840 0.58333333333333 0.81627802933900 15.999 > 97 102 O 0.04695310044840 0.91666666666667 0.81627802933900 15.999 > 97 103 O 0.08231755836432 0.08333333333333 0.00073344757769 15.999 > 103 104 O 0.08231755836432 0.41666666666667 0.00073344757769 15.999 > 103 105 O 0.08231755836432 0.75000000000000 0.00073344757769 15.999 > 103 106 O 0.08231755836432 0.08333333333333 0.50073344757769 15.999 > 103 107 O 0.08231755836432 0.41666666666667 0.50073344757769 15.999 > 103 108 O 0.08231755836432 0.75000000000000 0.50073344757769 15.999 > 103 109 O 0.41768244163568 0.25000000000000 0.25073344757769 15.999 > 109 110 O 0.41768244163568 0.58333333333333 0.25073344757769 15.999 > 109 111 O 0.41768244163568 0.91666666666667 0.25073344757769 15.999 > 109 112 O 0.41768244163568 0.25000000000000 0.75073344757769 15.999 > 109 113 O 0.41768244163568 0.58333333333333 0.75073344757769 15.999 > 109 114 O 0.41768244163568 0.91666666666667 0.75073344757769 15.999 > 109 115 O 0.45304689955160 0.08333333333333 0.06627802933900 15.999 > 115 116 O 0.45304689955160 0.41666666666667 0.06627802933900 15.999 > 115 117 O 0.45304689955160 0.75000000000000 0.06627802933900 15.999 > 115 118 O 0.45304689955160 0.08333333333333 0.56627802933900 15.999 > 115 119 O 0.45304689955160 0.41666666666667 0.56627802933900 15.999 > 115 120 O 0.45304689955160 0.75000000000000 0.56627802933900 15.999 > 115 121 O 0.54695310044840 0.25000000000000 0.43372197066100 15.999 > 121 122 O 0.54695310044840 0.58333333333333 0.43372197066100 15.999 > 121 123 O 0.54695310044840 0.91666666666667 0.43372197066100 15.999 > 121 124 O 0.54695310044840 0.25000000000000 0.93372197066100 15.999 > 121 125 O 0.54695310044840 0.58333333333333 0.93372197066100 15.999 > 121 126 O 0.54695310044840 0.91666666666667 0.93372197066100 15.999 > 121 127 O 0.58231755836432 0.08333333333333 0.24926655242231 15.999 > 127 128 O 0.58231755836432 0.41666666666667 0.24926655242231 15.999 > 127 129 O 0.58231755836432 0.75000000000000 0.24926655242231 15.999 > 127 130 O 0.58231755836432 0.08333333333333 0.74926655242231 15.999 > 127 131 O 0.58231755836432 0.41666666666667 0.74926655242231 15.999 > 127 132 O 0.58231755836432 0.75000000000000 0.74926655242231 15.999 > 127 133 O 0.91768244163568 0.25000000000000 0.49926655242231 15.999 > 133 134 O 0.91768244163568 0.58333333333333 0.49926655242231 15.999 > 133 135 O 0.91768244163568 0.91666666666667 0.49926655242231 15.999 > 133 136 O 0.91768244163568 0.25000000000000 0.99926655242231 15.999 > 133 137 O 0.91768244163568 0.58333333333333 0.99926655242231 15.999 > 133 138 O 0.91768244163568 0.91666666666667 0.99926655242231 15.999 > 133 139 O 0.95304689955160 0.08333333333333 0.18372197066100 15.999 > 139 140 O 0.95304689955160 0.41666666666667 0.18372197066100 15.999 > 139 141 O 0.95304689955160 0.75000000000000 0.18372197066100 15.999 > 139 142 O 0.95304689955160 0.08333333333333 0.68372197066100 15.999 > 139 143 O 0.95304689955160 0.41666666666667 0.68372197066100 15.999 > 139 144 O 0.95304689955160 0.75000000000000 0.68372197066100 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6940404 0.0000000 0.0000000 0.0000000 3.7815641 0.0000000 0.0000000 0.0000000 3.5824435 -------------------------- Born effective charges -------------------------- 1 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 2 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 3 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 4 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 5 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 6 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 7 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 8 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 9 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 10 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 11 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 12 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 13 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 14 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 15 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 16 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 17 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 18 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 19 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 20 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 21 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 22 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 23 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 24 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 ---------------------------------------------------------------------------- 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[ 31, 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[ 103, 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 2026-01-09 00:05:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:05:45]------------------------- 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 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.712320520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.226468820000000 Atomic positions (fractional): 1 Sm 0.06018365160196 0.75000000000000 0.24839998764732 150.360 2 Sm 0.43981634839804 0.25000000000000 0.74839998764732 150.360 3 Sm 0.56018365160196 0.75000000000000 0.25160001235268 150.360 4 Sm 0.93981634839804 0.25000000000000 0.75160001235268 150.360 5 H 0.11835652483230 0.75000000000000 0.70107321407788 1.008 6 H 0.15633860563897 0.25000000000000 0.94648588436362 1.008 7 H 0.34366139436103 0.75000000000000 0.44648588436362 1.008 8 H 0.38164347516770 0.25000000000000 0.20107321407788 1.008 9 H 0.61835652483230 0.75000000000000 0.79892678592212 1.008 10 H 0.65633860563897 0.25000000000000 0.55351411563638 1.008 11 H 0.84366139436103 0.75000000000000 0.05351411563638 1.008 12 H 0.88164347516770 0.25000000000000 0.29892678592212 1.008 13 Cl 0.22216160792925 0.25000000000000 0.40299319390985 35.453 14 Cl 0.27783839207075 0.75000000000000 0.90299319390985 35.453 15 Cl 0.72216160792925 0.25000000000000 0.09700680609015 35.453 16 Cl 0.77783839207075 0.75000000000000 0.59700680609015 35.453 17 O 0.04695310044840 0.75000000000000 0.63255605867800 15.999 18 O 0.08231755836432 0.25000000000000 0.00146689515537 15.999 19 O 0.41768244163568 0.75000000000000 0.50146689515537 15.999 20 O 0.45304689955160 0.25000000000000 0.13255605867800 15.999 21 O 0.54695310044840 0.75000000000000 0.86744394132200 15.999 22 O 0.58231755836432 0.25000000000000 0.49853310484463 15.999 23 O 0.91768244163568 0.75000000000000 0.99853310484463 15.999 24 O 0.95304689955160 0.25000000000000 0.36744394132200 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.461575549999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.136961560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.452937640000000 Atomic positions (fractional): 1 Sm 0.06018365160196 0.25000000000000 0.12419999382366 150.360 > 1 2 Sm 0.06018365160196 0.58333333333333 0.12419999382366 150.360 > 1 3 Sm 0.06018365160196 0.91666666666667 0.12419999382366 150.360 > 1 4 Sm 0.06018365160196 0.25000000000000 0.62419999382366 150.360 > 1 5 Sm 0.06018365160196 0.58333333333333 0.62419999382366 150.360 > 1 6 Sm 0.06018365160196 0.91666666666667 0.62419999382366 150.360 > 1 7 Sm 0.43981634839804 0.08333333333333 0.37419999382366 150.360 > 7 8 Sm 0.43981634839804 0.41666666666667 0.37419999382366 150.360 > 7 9 Sm 0.43981634839804 0.75000000000000 0.37419999382366 150.360 > 7 10 Sm 0.43981634839804 0.08333333333333 0.87419999382366 150.360 > 7 11 Sm 0.43981634839804 0.41666666666667 0.87419999382366 150.360 > 7 12 Sm 0.43981634839804 0.75000000000000 0.87419999382366 150.360 > 7 13 Sm 0.56018365160196 0.25000000000000 0.12580000617634 150.360 > 13 14 Sm 0.56018365160196 0.58333333333333 0.12580000617634 150.360 > 13 15 Sm 0.56018365160196 0.91666666666667 0.12580000617634 150.360 > 13 16 Sm 0.56018365160196 0.25000000000000 0.62580000617634 150.360 > 13 17 Sm 0.56018365160196 0.58333333333333 0.62580000617634 150.360 > 13 18 Sm 0.56018365160196 0.91666666666667 0.62580000617634 150.360 > 13 19 Sm 0.93981634839804 0.08333333333333 0.37580000617634 150.360 > 19 20 Sm 0.93981634839804 0.41666666666667 0.37580000617634 150.360 > 19 21 Sm 0.93981634839804 0.75000000000000 0.37580000617634 150.360 > 19 22 Sm 0.93981634839804 0.08333333333333 0.87580000617634 150.360 > 19 23 Sm 0.93981634839804 0.41666666666667 0.87580000617634 150.360 > 19 24 Sm 0.93981634839804 0.75000000000000 0.87580000617634 150.360 > 19 25 H 0.11835652483230 0.25000000000000 0.35053660703894 1.008 > 25 26 H 0.11835652483230 0.58333333333333 0.35053660703894 1.008 > 25 27 H 0.11835652483230 0.91666666666667 0.35053660703894 1.008 > 25 28 H 0.11835652483230 0.25000000000000 0.85053660703894 1.008 > 25 29 H 0.11835652483230 0.58333333333333 0.85053660703894 1.008 > 25 30 H 0.11835652483230 0.91666666666667 0.85053660703894 1.008 > 25 31 H 0.15633860563897 0.08333333333333 0.47324294218181 1.008 > 31 32 H 0.15633860563897 0.41666666666667 0.47324294218181 1.008 > 31 33 H 0.15633860563897 0.75000000000000 0.47324294218181 1.008 > 31 34 H 0.15633860563897 0.08333333333333 0.97324294218181 1.008 > 31 35 H 0.15633860563897 0.41666666666667 0.97324294218181 1.008 > 31 36 H 0.15633860563897 0.75000000000000 0.97324294218181 1.008 > 31 37 H 0.34366139436103 0.25000000000000 0.22324294218181 1.008 > 37 38 H 0.34366139436103 0.58333333333333 0.22324294218181 1.008 > 37 39 H 0.34366139436103 0.91666666666667 0.22324294218181 1.008 > 37 40 H 0.34366139436103 0.25000000000000 0.72324294218181 1.008 > 37 41 H 0.34366139436103 0.58333333333333 0.72324294218181 1.008 > 37 42 H 0.34366139436103 0.91666666666667 0.72324294218181 1.008 > 37 43 H 0.38164347516770 0.08333333333333 0.10053660703894 1.008 > 43 44 H 0.38164347516770 0.41666666666667 0.10053660703894 1.008 > 43 45 H 0.38164347516770 0.75000000000000 0.10053660703894 1.008 > 43 46 H 0.38164347516770 0.08333333333333 0.60053660703894 1.008 > 43 47 H 0.38164347516770 0.41666666666667 0.60053660703894 1.008 > 43 48 H 0.38164347516770 0.75000000000000 0.60053660703894 1.008 > 43 49 H 0.61835652483230 0.25000000000000 0.39946339296106 1.008 > 49 50 H 0.61835652483230 0.58333333333333 0.39946339296106 1.008 > 49 51 H 0.61835652483230 0.91666666666667 0.39946339296106 1.008 > 49 52 H 0.61835652483230 0.25000000000000 0.89946339296106 1.008 > 49 53 H 0.61835652483230 0.58333333333333 0.89946339296106 1.008 > 49 54 H 0.61835652483230 0.91666666666667 0.89946339296106 1.008 > 49 55 H 0.65633860563897 0.08333333333333 0.27675705781819 1.008 > 55 56 H 0.65633860563897 0.41666666666667 0.27675705781819 1.008 > 55 57 H 0.65633860563897 0.75000000000000 0.27675705781819 1.008 > 55 58 H 0.65633860563897 0.08333333333333 0.77675705781819 1.008 > 55 59 H 0.65633860563897 0.41666666666667 0.77675705781819 1.008 > 55 60 H 0.65633860563897 0.75000000000000 0.77675705781819 1.008 > 55 61 H 0.84366139436103 0.25000000000000 0.02675705781819 1.008 > 61 62 H 0.84366139436103 0.58333333333333 0.02675705781819 1.008 > 61 63 H 0.84366139436103 0.91666666666667 0.02675705781819 1.008 > 61 64 H 0.84366139436103 0.25000000000000 0.52675705781819 1.008 > 61 65 H 0.84366139436103 0.58333333333333 0.52675705781819 1.008 > 61 66 H 0.84366139436103 0.91666666666667 0.52675705781819 1.008 > 61 67 H 0.88164347516770 0.08333333333333 0.14946339296106 1.008 > 67 68 H 0.88164347516770 0.41666666666667 0.14946339296106 1.008 > 67 69 H 0.88164347516770 0.75000000000000 0.14946339296106 1.008 > 67 70 H 0.88164347516770 0.08333333333333 0.64946339296106 1.008 > 67 71 H 0.88164347516770 0.41666666666667 0.64946339296106 1.008 > 67 72 H 0.88164347516770 0.75000000000000 0.64946339296106 1.008 > 67 73 Cl 0.22216160792925 0.08333333333333 0.20149659695493 35.453 > 73 74 Cl 0.22216160792925 0.41666666666667 0.20149659695493 35.453 > 73 75 Cl 0.22216160792925 0.75000000000000 0.20149659695493 35.453 > 73 76 Cl 0.22216160792925 0.08333333333333 0.70149659695493 35.453 > 73 77 Cl 0.22216160792925 0.41666666666667 0.70149659695493 35.453 > 73 78 Cl 0.22216160792925 0.75000000000000 0.70149659695493 35.453 > 73 79 Cl 0.27783839207075 0.25000000000000 0.45149659695493 35.453 > 79 80 Cl 0.27783839207075 0.58333333333333 0.45149659695493 35.453 > 79 81 Cl 0.27783839207075 0.91666666666667 0.45149659695493 35.453 > 79 82 Cl 0.27783839207075 0.25000000000000 0.95149659695493 35.453 > 79 83 Cl 0.27783839207075 0.58333333333333 0.95149659695493 35.453 > 79 84 Cl 0.27783839207075 0.91666666666667 0.95149659695493 35.453 > 79 85 Cl 0.72216160792925 0.08333333333333 0.04850340304507 35.453 > 85 86 Cl 0.72216160792925 0.41666666666667 0.04850340304507 35.453 > 85 87 Cl 0.72216160792925 0.75000000000000 0.04850340304507 35.453 > 85 88 Cl 0.72216160792925 0.08333333333333 0.54850340304507 35.453 > 85 89 Cl 0.72216160792925 0.41666666666667 0.54850340304507 35.453 > 85 90 Cl 0.72216160792925 0.75000000000000 0.54850340304507 35.453 > 85 91 Cl 0.77783839207075 0.25000000000000 0.29850340304507 35.453 > 91 92 Cl 0.77783839207075 0.58333333333333 0.29850340304507 35.453 > 91 93 Cl 0.77783839207075 0.91666666666667 0.29850340304507 35.453 > 91 94 Cl 0.77783839207075 0.25000000000000 0.79850340304507 35.453 > 91 95 Cl 0.77783839207075 0.58333333333333 0.79850340304507 35.453 > 91 96 Cl 0.77783839207075 0.91666666666667 0.79850340304507 35.453 > 91 97 O 0.04695310044840 0.25000000000000 0.31627802933900 15.999 > 97 98 O 0.04695310044840 0.58333333333333 0.31627802933900 15.999 > 97 99 O 0.04695310044840 0.91666666666667 0.31627802933900 15.999 > 97 100 O 0.04695310044840 0.25000000000000 0.81627802933900 15.999 > 97 101 O 0.04695310044840 0.58333333333333 0.81627802933900 15.999 > 97 102 O 0.04695310044840 0.91666666666667 0.81627802933900 15.999 > 97 103 O 0.08231755836432 0.08333333333333 0.00073344757769 15.999 > 103 104 O 0.08231755836432 0.41666666666667 0.00073344757769 15.999 > 103 105 O 0.08231755836432 0.75000000000000 0.00073344757769 15.999 > 103 106 O 0.08231755836432 0.08333333333333 0.50073344757769 15.999 > 103 107 O 0.08231755836432 0.41666666666667 0.50073344757769 15.999 > 103 108 O 0.08231755836432 0.75000000000000 0.50073344757769 15.999 > 103 109 O 0.41768244163568 0.25000000000000 0.25073344757769 15.999 > 109 110 O 0.41768244163568 0.58333333333333 0.25073344757769 15.999 > 109 111 O 0.41768244163568 0.91666666666667 0.25073344757769 15.999 > 109 112 O 0.41768244163568 0.25000000000000 0.75073344757769 15.999 > 109 113 O 0.41768244163568 0.58333333333333 0.75073344757769 15.999 > 109 114 O 0.41768244163568 0.91666666666667 0.75073344757769 15.999 > 109 115 O 0.45304689955160 0.08333333333333 0.06627802933900 15.999 > 115 116 O 0.45304689955160 0.41666666666667 0.06627802933900 15.999 > 115 117 O 0.45304689955160 0.75000000000000 0.06627802933900 15.999 > 115 118 O 0.45304689955160 0.08333333333333 0.56627802933900 15.999 > 115 119 O 0.45304689955160 0.41666666666667 0.56627802933900 15.999 > 115 120 O 0.45304689955160 0.75000000000000 0.56627802933900 15.999 > 115 121 O 0.54695310044840 0.25000000000000 0.43372197066100 15.999 > 121 122 O 0.54695310044840 0.58333333333333 0.43372197066100 15.999 > 121 123 O 0.54695310044840 0.91666666666667 0.43372197066100 15.999 > 121 124 O 0.54695310044840 0.25000000000000 0.93372197066100 15.999 > 121 125 O 0.54695310044840 0.58333333333333 0.93372197066100 15.999 > 121 126 O 0.54695310044840 0.91666666666667 0.93372197066100 15.999 > 121 127 O 0.58231755836432 0.08333333333333 0.24926655242231 15.999 > 127 128 O 0.58231755836432 0.41666666666667 0.24926655242231 15.999 > 127 129 O 0.58231755836432 0.75000000000000 0.24926655242231 15.999 > 127 130 O 0.58231755836432 0.08333333333333 0.74926655242231 15.999 > 127 131 O 0.58231755836432 0.41666666666667 0.74926655242231 15.999 > 127 132 O 0.58231755836432 0.75000000000000 0.74926655242231 15.999 > 127 133 O 0.91768244163568 0.25000000000000 0.49926655242231 15.999 > 133 134 O 0.91768244163568 0.58333333333333 0.49926655242231 15.999 > 133 135 O 0.91768244163568 0.91666666666667 0.49926655242231 15.999 > 133 136 O 0.91768244163568 0.25000000000000 0.99926655242231 15.999 > 133 137 O 0.91768244163568 0.58333333333333 0.99926655242231 15.999 > 133 138 O 0.91768244163568 0.91666666666667 0.99926655242231 15.999 > 133 139 O 0.95304689955160 0.08333333333333 0.18372197066100 15.999 > 139 140 O 0.95304689955160 0.41666666666667 0.18372197066100 15.999 > 139 141 O 0.95304689955160 0.75000000000000 0.18372197066100 15.999 > 139 142 O 0.95304689955160 0.08333333333333 0.68372197066100 15.999 > 139 143 O 0.95304689955160 0.41666666666667 0.68372197066100 15.999 > 139 144 O 0.95304689955160 0.75000000000000 0.68372197066100 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6940404 0.0000000 0.0000000 0.0000000 3.7815641 0.0000000 0.0000000 0.0000000 3.5824435 -------------------------- Born effective charges -------------------------- 1 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 2 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 3 Sm 3.5205325 0.0000000 -0.0986313 0.0000000 4.1086819 0.0000000 0.0396846 0.0000000 3.8638820 4 Sm 3.5205325 0.0000000 0.0986313 0.0000000 4.1086819 0.0000000 -0.0396846 0.0000000 3.8638820 5 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 6 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 7 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 8 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 9 H 0.7456488 0.0000000 -0.2262596 0.0000000 0.3578619 0.0000000 -0.1710047 0.0000000 0.4911036 10 H 0.6061344 0.0000000 0.0683955 0.0000000 0.6318605 0.0000000 0.0988294 0.0000000 0.3157391 11 H 0.6061344 0.0000000 -0.0683955 0.0000000 0.6318605 0.0000000 -0.0988294 0.0000000 0.3157391 12 H 0.7456488 0.0000000 0.2262596 0.0000000 0.3578619 0.0000000 0.1710047 0.0000000 0.4911036 13 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 14 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 15 Cl -1.5659327 0.0000000 0.2511303 0.0000000 -1.3818953 0.0000000 0.2624852 0.0000000 -0.9703837 16 Cl -1.5659327 0.0000000 -0.2511303 0.0000000 -1.3818953 0.0000000 -0.2624852 0.0000000 -0.9703837 17 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 18 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 19 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 20 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 21 O -1.6145699 0.0000000 -0.2111473 0.0000000 -1.9022877 0.0000000 -0.2924525 0.0000000 -1.8226012 22 O -1.6918131 0.0000000 0.2685497 0.0000000 -1.8142214 0.0000000 0.2135833 0.0000000 -1.8777398 23 O -1.6918131 0.0000000 -0.2685497 0.0000000 -1.8142214 0.0000000 -0.2135833 0.0000000 -1.8777398 24 O -1.6145699 0.0000000 0.2111473 0.0000000 -1.9022877 0.0000000 0.2924525 0.0000000 -1.8226012 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 8 ] 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: 0.63, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.646 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 11.876 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.916 ( 0.000 0.000 0.000) 0.000 15.867 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 0.000 0.000) 0.000 16.529 ( 0.000 0.000 0.000) 0.000 16.543 ( 0.000 0.000 0.000) 0.000 21.274 ( 0.000 0.000 0.000) 0.000 21.293 ( 0.000 0.000 0.000) 0.000 21.355 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 21.642 ( 0.000 0.000 0.000) 0.000 21.762 ( 0.000 0.000 0.000) 0.000 21.801 ( 0.000 0.000 0.000) 0.000 22.052 ( 0.000 0.000 0.000) 0.000 23.107 ( 0.000 0.000 0.000) 0.000 23.451 ( 0.000 0.000 0.000) 0.000 23.888 ( 0.000 0.000 0.000) 0.000 23.937 ( 0.000 0.000 0.000) 0.000 104.710 ( 0.000 0.000 0.000) 0.000 104.771 ( 0.000 0.000 0.000) 0.000 104.835 ( 0.000 0.000 0.000) 0.000 105.052 ( 0.000 0.000 0.000) 0.000 106.750 ( 0.000 0.000 0.000) 0.000 106.795 ( 0.000 0.000 0.000) 0.000 106.840 ( 0.000 0.000 0.000) 0.000 107.252 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( 15.791 0.000 0.000) 15.791 0.491 ( 23.808 0.000 0.000) 23.808 0.851 ( 39.914 0.000 0.000) 39.914 0.857 ( -8.085 0.000 0.000) 8.085 1.284 ( -13.043 0.000 0.000) 13.043 2.106 ( -18.060 0.000 0.000) 18.060 2.692 ( 5.784 0.000 0.000) 5.784 2.955 ( -4.747 0.000 0.000) 4.747 2.959 ( 5.970 0.000 0.000) 5.970 3.180 ( 0.542 0.000 0.000) 0.542 3.201 ( -3.862 0.000 0.000) 3.862 3.210 ( -0.560 0.000 0.000) 0.560 3.966 ( 0.780 0.000 0.000) 0.780 4.034 ( -2.385 0.000 0.000) 2.385 4.200 ( 2.967 0.000 0.000) 2.967 4.242 ( 0.860 0.000 0.000) 0.860 4.277 ( -0.562 0.000 0.000) 0.562 4.300 ( -1.451 0.000 0.000) 1.451 4.899 ( 1.511 0.000 0.000) 1.511 5.038 ( -5.630 0.000 0.000) 5.630 5.401 ( 4.265 0.000 0.000) 4.265 5.508 ( -1.473 0.000 0.000) 1.473 6.654 ( 7.465 0.000 0.000) 7.465 7.001 ( -6.186 0.000 0.000) 6.186 8.172 ( 0.408 0.000 0.000) 0.408 8.193 ( -0.406 0.000 0.000) 0.406 8.755 ( 1.271 0.000 0.000) 1.271 8.764 ( 0.517 0.000 0.000) 0.517 8.792 ( -0.606 0.000 0.000) 0.606 8.813 ( -0.982 0.000 0.000) 0.982 9.024 ( 1.307 0.000 0.000) 1.307 9.091 ( -1.335 0.000 0.000) 1.335 9.649 ( 0.290 0.000 0.000) 0.290 9.663 ( -0.272 0.000 0.000) 0.272 9.915 ( 0.483 0.000 0.000) 0.483 9.939 ( -0.453 0.000 0.000) 0.453 9.994 ( 2.020 0.000 0.000) 2.020 10.099 ( -2.090 0.000 0.000) 2.090 10.911 ( 0.276 0.000 0.000) 0.276 10.922 ( -0.157 0.000 0.000) 0.157 11.637 ( 0.575 0.000 0.000) 0.575 11.669 ( -0.677 0.000 0.000) 0.677 11.850 ( 0.493 0.000 0.000) 0.493 11.872 ( -0.364 0.000 0.000) 0.364 12.379 ( 0.901 0.000 0.000) 0.901 12.425 ( -0.890 0.000 0.000) 0.890 13.920 ( 0.371 0.000 0.000) 0.371 13.939 ( -0.339 0.000 0.000) 0.339 15.870 ( 0.291 0.000 0.000) 0.291 15.886 ( -0.338 0.000 0.000) 0.338 16.531 ( 0.213 0.000 0.000) 0.213 16.541 ( -0.171 0.000 0.000) 0.171 21.276 ( 0.178 0.000 0.000) 0.178 21.289 ( -0.351 0.000 0.000) 0.351 21.375 ( 1.899 0.000 0.000) 1.899 21.506 ( -3.836 0.000 0.000) 3.836 21.668 ( 1.642 0.000 0.000) 1.642 21.747 ( -1.460 0.000 0.000) 1.460 21.857 ( 4.558 0.000 0.000) 4.558 22.025 ( -2.620 0.000 0.000) 2.620 23.357 ( 1.434 0.000 0.000) 1.434 23.434 ( -1.596 0.000 0.000) 1.596 23.896 ( 0.753 0.000 0.000) 0.753 23.931 ( -0.607 0.000 0.000) 0.607 104.726 ( 1.542 0.000 0.000) 1.542 104.814 ( -1.950 0.000 0.000) 1.950 105.063 ( 0.956 0.000 0.000) 0.956 105.100 ( -0.550 0.000 0.000) 0.550 106.801 ( 0.576 0.000 0.000) 0.576 106.833 ( -0.667 0.000 0.000) 0.667 107.258 ( 0.620 0.000 0.000) 0.620 107.287 ( -0.521 0.000 0.000) 0.521 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -13.805 0.000 0.000) 13.805 0.624 ( 13.805 0.000 0.000) 13.805 0.940 ( -20.443 0.000 0.000) 20.443 0.940 ( 20.443 0.000 0.000) 20.443 1.592 ( -32.281 0.000 0.000) 32.281 1.592 ( 32.281 0.000 0.000) 32.281 2.830 ( -7.197 0.000 0.000) 7.197 2.830 ( 7.197 0.000 0.000) 7.197 3.093 ( -6.587 0.000 0.000) 6.587 3.093 ( 6.587 0.000 0.000) 6.587 3.195 ( -0.847 0.000 0.000) 0.847 3.195 ( 0.847 0.000 0.000) 0.847 3.991 ( -1.742 0.000 0.000) 1.742 3.991 ( 1.742 0.000 0.000) 1.742 4.258 ( -2.617 0.000 0.000) 2.617 4.258 ( 2.617 0.000 0.000) 2.617 4.261 ( -0.967 0.000 0.000) 0.967 4.261 ( 0.967 0.000 0.000) 0.967 4.946 ( -3.344 0.000 0.000) 3.344 4.946 ( 3.344 0.000 0.000) 3.344 5.468 ( -2.518 0.000 0.000) 2.518 5.468 ( 2.518 0.000 0.000) 2.518 6.836 ( -9.579 0.000 0.000) 9.579 6.836 ( 9.579 0.000 0.000) 9.579 8.183 ( -0.576 0.000 0.000) 0.576 8.183 ( 0.576 0.000 0.000) 0.576 8.778 ( -0.778 0.000 0.000) 0.778 8.778 ( 0.778 0.000 0.000) 0.778 8.786 ( -1.611 0.000 0.000) 1.611 8.786 ( 1.611 0.000 0.000) 1.611 9.057 ( -1.866 0.000 0.000) 1.866 9.057 ( 1.866 0.000 0.000) 1.866 9.656 ( -0.399 0.000 0.000) 0.399 9.656 ( 0.399 0.000 0.000) 0.399 9.927 ( -0.661 0.000 0.000) 0.661 9.927 ( 0.661 0.000 0.000) 0.661 10.046 ( -2.890 0.000 0.000) 2.890 10.046 ( 2.890 0.000 0.000) 2.890 10.917 ( -0.294 0.000 0.000) 0.294 10.917 ( 0.294 0.000 0.000) 0.294 11.653 ( -0.887 0.000 0.000) 0.887 11.653 ( 0.887 0.000 0.000) 0.887 11.862 ( -0.606 0.000 0.000) 0.606 11.862 ( 0.606 0.000 0.000) 0.606 12.402 ( -1.266 0.000 0.000) 1.266 12.402 ( 1.266 0.000 0.000) 1.266 13.930 ( -0.502 0.000 0.000) 0.502 13.930 ( 0.502 0.000 0.000) 0.502 15.878 ( -0.444 0.000 0.000) 0.444 15.878 ( 0.444 0.000 0.000) 0.444 16.537 ( -0.271 0.000 0.000) 0.271 16.537 ( 0.271 0.000 0.000) 0.271 21.281 ( -0.353 0.000 0.000) 0.353 21.281 ( 0.353 0.000 0.000) 0.353 21.429 ( -3.469 0.000 0.000) 3.469 21.429 ( 3.469 0.000 0.000) 3.469 21.709 ( -2.172 0.000 0.000) 2.172 21.709 ( 2.172 0.000 0.000) 2.172 21.952 ( -4.490 0.000 0.000) 4.490 21.952 ( 4.490 0.000 0.000) 4.490 23.394 ( -2.128 0.000 0.000) 2.128 23.394 ( 2.128 0.000 0.000) 2.128 23.914 ( -0.946 0.000 0.000) 0.946 23.914 ( 0.946 0.000 0.000) 0.946 104.768 ( -2.385 0.000 0.000) 2.385 104.768 ( 2.385 0.000 0.000) 2.385 105.084 ( -0.982 0.000 0.000) 0.982 105.084 ( 0.982 0.000 0.000) 0.982 106.816 ( -0.872 0.000 0.000) 0.872 106.816 ( 0.872 0.000 0.000) 0.872 107.273 ( -0.800 0.000 0.000) 0.800 107.273 ( 0.800 0.000 0.000) 0.800 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 23.314 0.000) 23.314 0.644 ( 0.000 30.881 0.000) 30.881 1.071 ( 0.000 14.827 0.000) 14.827 1.099 ( 0.000 52.267 0.000) 52.267 1.729 ( 0.000 25.827 0.000) 25.827 2.144 ( 0.000 -11.346 0.000) 11.346 2.671 ( 0.000 4.001 0.000) 4.001 2.938 ( 0.000 2.423 0.000) 2.423 3.147 ( 0.000 -2.563 0.000) 2.563 3.193 ( 0.000 17.293 0.000) 17.293 3.232 ( 0.000 1.650 0.000) 1.650 3.390 ( 0.000 13.756 0.000) 13.756 4.130 ( 0.000 -1.973 0.000) 1.973 4.194 ( 0.000 11.307 0.000) 11.307 4.197 ( 0.000 -1.479 0.000) 1.479 4.245 ( 0.000 6.018 0.000) 6.018 4.384 ( 0.000 6.534 0.000) 6.534 4.819 ( 0.000 -3.573 0.000) 3.573 5.009 ( 0.000 4.770 0.000) 4.770 5.042 ( 0.000 -7.228 0.000) 7.228 5.293 ( 0.000 -1.117 0.000) 1.117 5.310 ( 0.000 -2.054 0.000) 2.054 5.474 ( 0.000 -4.765 0.000) 4.765 6.195 ( 0.000 -25.742 0.000) 25.742 8.671 ( 0.000 25.735 0.000) 25.735 8.733 ( 0.000 5.242 0.000) 5.242 8.737 ( 0.000 -0.679 0.000) 0.679 8.790 ( 0.000 -1.523 0.000) 1.523 8.810 ( 0.000 -1.207 0.000) 1.207 9.001 ( 0.000 0.818 0.000) 0.818 9.161 ( 0.000 8.308 0.000) 8.308 9.470 ( 0.000 -13.736 0.000) 13.736 9.485 ( 0.000 -13.207 0.000) 13.207 9.804 ( 0.000 -6.214 0.000) 6.214 9.848 ( 0.000 -6.682 0.000) 6.682 10.029 ( 0.000 2.335 0.000) 2.335 10.172 ( 0.000 11.668 0.000) 11.668 10.264 ( 0.000 10.736 0.000) 10.736 10.914 ( 0.000 0.587 0.000) 0.587 10.923 ( 0.000 0.135 0.000) 0.135 11.499 ( 0.000 5.222 0.000) 5.222 11.607 ( 0.000 -2.148 0.000) 2.148 11.622 ( 0.000 -5.067 0.000) 5.067 11.822 ( 0.000 -4.428 0.000) 4.428 12.376 ( 0.000 0.526 0.000) 0.526 12.432 ( 0.000 -0.195 0.000) 0.195 13.370 ( 0.000 -3.734 0.000) 3.734 13.715 ( 0.000 -15.421 0.000) 15.421 16.031 ( 0.000 12.537 0.000) 12.537 16.630 ( 0.000 8.131 0.000) 8.131 17.018 ( 0.000 40.985 0.000) 40.985 19.640 ( 0.000 -2.072 0.000) 2.072 21.001 ( 0.000 -21.609 0.000) 21.609 21.027 ( 0.000 -17.936 0.000) 17.936 21.068 ( 0.000 -16.453 0.000) 16.453 21.200 ( 0.000 -22.638 0.000) 22.638 21.941 ( 0.000 16.085 0.000) 16.085 22.166 ( 0.000 26.241 0.000) 26.241 22.197 ( 0.000 10.392 0.000) 10.392 22.291 ( 0.000 26.955 0.000) 26.955 23.117 ( 0.000 1.210 0.000) 1.210 23.465 ( 0.000 1.833 0.000) 1.833 23.875 ( 0.000 -1.310 0.000) 1.310 23.943 ( 0.000 0.713 0.000) 0.713 104.710 ( 0.000 0.002 0.000) 0.002 104.770 ( 0.000 -0.117 0.000) 0.117 104.820 ( 0.000 -1.293 0.000) 1.293 105.036 ( 0.000 -1.507 0.000) 1.507 106.733 ( 0.000 -1.614 0.000) 1.614 106.776 ( 0.000 -1.781 0.000) 1.781 106.806 ( 0.000 -3.048 0.000) 3.048 107.181 ( 0.000 -6.433 0.000) 6.433 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 18.930 13.931 0.000) 23.503 0.713 ( 6.382 27.135 0.000) 27.875 1.019 ( -5.119 15.396 0.000) 16.225 1.344 ( 20.616 40.292 0.000) 45.260 1.533 ( -16.854 16.841 0.000) 23.826 2.086 ( -8.225 2.580 0.000) 8.621 2.729 ( 5.290 3.560 0.000) 6.376 2.930 ( -1.475 1.223 0.000) 1.916 3.147 ( -0.061 -2.107 0.000) 2.108 3.149 ( -1.871 8.613 0.000) 8.814 3.272 ( 2.428 10.331 0.000) 10.612 3.381 ( -1.397 14.524 0.000) 14.591 4.139 ( 0.617 1.005 0.000) 1.179 4.163 ( -1.644 10.916 0.000) 11.039 4.208 ( 0.966 -2.194 0.000) 2.397 4.288 ( 2.979 7.498 0.000) 8.068 4.357 ( -3.600 7.030 0.000) 7.898 4.486 ( -16.302 17.199 0.000) 23.697 4.859 ( 0.885 -3.188 0.000) 3.308 4.975 ( -4.719 -5.650 0.000) 7.362 5.364 ( 3.672 -3.303 0.000) 4.939 5.460 ( -1.270 -4.579 0.000) 4.752 5.906 ( 25.451 -33.239 0.000) 41.863 6.215 ( 1.283 -28.363 0.000) 28.392 8.702 ( 2.692 13.732 0.000) 13.993 8.738 ( 0.799 0.292 0.000) 0.850 8.778 ( 4.161 16.661 0.000) 17.172 8.779 ( -1.048 -1.947 0.000) 2.211 8.797 ( -1.212 -1.119 0.000) 1.650 9.004 ( -0.325 2.012 0.000) 2.038 9.152 ( -0.626 9.935 0.000) 9.954 9.445 ( -7.880 -0.409 0.000) 7.891 9.486 ( 0.041 -13.081 0.000) 13.081 9.564 ( -21.797 26.004 0.000) 33.931 9.811 ( 0.647 -6.239 0.000) 6.273 9.846 ( -0.813 -5.893 0.000) 5.949 10.187 ( 1.475 11.555 0.000) 11.648 10.263 ( -1.278 10.558 0.000) 10.635 10.913 ( 0.151 0.489 0.000) 0.511 10.922 ( -0.110 0.188 0.000) 0.218 11.553 ( 1.926 -6.229 0.000) 6.520 11.611 ( -1.037 -5.459 0.000) 5.556 11.687 ( 5.717 -3.747 0.000) 6.836 11.809 ( -1.220 -4.714 0.000) 4.869 12.381 ( 0.670 0.380 0.000) 0.770 12.423 ( -0.868 -0.142 0.000) 0.880 13.482 ( 8.043 -13.206 0.000) 15.462 13.692 ( -2.369 -16.275 0.000) 16.446 16.118 ( 8.644 15.667 0.000) 17.893 16.585 ( -5.489 8.986 0.000) 10.530 17.032 ( 1.967 44.067 0.000) 44.111 18.071 ( -82.149 87.710 0.000) 120.173 20.967 ( -1.060 -19.418 0.000) 19.447 20.985 ( -1.105 -20.954 0.000) 20.983 21.094 ( 2.128 -17.583 0.000) 17.712 21.185 ( -1.671 -21.288 0.000) 21.354 21.933 ( 1.950 18.605 0.000) 18.706 22.094 ( -4.568 18.417 0.000) 18.975 22.244 ( 2.254 19.354 0.000) 19.485 22.289 ( -0.267 25.931 0.000) 25.933 23.275 ( 6.698 -4.405 0.000) 8.016 23.438 ( -2.482 0.954 0.000) 2.659 23.886 ( 1.039 -0.930 0.000) 1.394 23.932 ( -0.879 0.359 0.000) 0.949 104.718 ( 1.394 -0.621 0.000) 1.526 104.800 ( -1.823 -1.154 0.000) 2.157 104.953 ( 7.813 -7.684 0.000) 10.958 105.040 ( 0.185 -2.111 0.000) 2.119 106.772 ( 0.583 -2.678 0.000) 2.741 106.800 ( -0.574 -2.960 0.000) 3.015 106.977 ( 12.843 -13.895 0.000) 18.921 107.174 ( -0.838 -7.403 0.000) 7.450 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -8.379 20.354 0.000) 22.012 0.870 ( 8.379 20.354 0.000) 22.012 1.135 ( -21.538 10.868 0.000) 24.125 1.135 ( 21.538 10.868 0.000) 24.125 1.786 ( -20.551 21.347 0.000) 29.631 1.786 ( 20.551 21.347 0.000) 29.631 2.852 ( -5.958 2.335 0.000) 6.399 2.852 ( 5.958 2.335 0.000) 6.399 3.142 ( -0.421 0.806 0.000) 0.910 3.142 ( 0.421 0.806 0.000) 0.910 3.330 ( -3.280 15.103 0.000) 15.455 3.330 ( 3.280 15.103 0.000) 15.455 4.145 ( -0.162 8.612 0.000) 8.613 4.145 ( 0.162 8.612 0.000) 8.613 4.247 ( -3.721 2.377 0.000) 4.415 4.247 ( 3.721 2.377 0.000) 4.415 4.349 ( -3.174 8.213 0.000) 8.805 4.349 ( 3.174 8.213 0.000) 8.805 4.897 ( -2.879 -4.348 0.000) 5.215 4.897 ( 2.879 -4.348 0.000) 5.215 5.425 ( -2.281 -4.091 0.000) 4.684 5.425 ( 2.281 -4.091 0.000) 4.684 6.193 ( -5.384 -34.250 0.000) 34.671 6.193 ( 5.384 -34.250 0.000) 34.671 8.751 ( -1.784 -2.338 0.000) 2.941 8.751 ( 1.784 -2.338 0.000) 2.941 8.765 ( -1.798 0.494 0.000) 1.865 8.765 ( 1.798 0.494 0.000) 1.865 8.921 ( -8.786 22.983 0.000) 24.605 8.921 ( 8.786 22.983 0.000) 24.605 9.168 ( -4.704 23.426 0.000) 23.893 9.168 ( 4.704 23.426 0.000) 23.893 9.487 ( -0.140 -12.321 0.000) 12.322 9.487 ( 0.140 -12.321 0.000) 12.322 9.828 ( -0.941 -6.245 0.000) 6.315 9.828 ( 0.941 -6.245 0.000) 6.315 10.226 ( -2.139 11.213 0.000) 11.415 10.226 ( 2.139 11.213 0.000) 11.415 10.918 ( -0.245 0.301 0.000) 0.388 10.918 ( 0.245 0.301 0.000) 0.388 11.585 ( -1.461 -6.331 0.000) 6.498 11.585 ( 1.461 -6.331 0.000) 6.498 11.771 ( -2.777 -5.213 0.000) 5.907 11.771 ( 2.777 -5.213 0.000) 5.907 12.401 ( -1.182 0.042 0.000) 1.183 12.401 ( 1.182 0.042 0.000) 1.183 13.618 ( -5.129 -17.349 0.000) 18.091 13.618 ( 5.129 -17.349 0.000) 18.091 16.367 ( -14.742 17.349 0.000) 22.766 16.367 ( 14.742 17.349 0.000) 22.766 17.173 ( -16.690 62.194 0.000) 64.395 17.173 ( 16.690 62.194 0.000) 64.395 20.967 ( -0.639 -20.604 0.000) 20.614 20.967 ( 0.639 -20.604 0.000) 20.614 21.142 ( -2.445 -19.211 0.000) 19.366 21.142 ( 2.445 -19.211 0.000) 19.366 22.002 ( -4.387 17.592 0.000) 18.131 22.002 ( 4.387 17.592 0.000) 18.131 22.277 ( -1.017 23.240 0.000) 23.262 22.277 ( 1.017 23.240 0.000) 23.262 23.373 ( -3.881 -1.234 0.000) 4.073 23.373 ( 3.881 -1.234 0.000) 4.073 23.910 ( -1.221 -0.260 0.000) 1.248 23.910 ( 1.221 -0.260 0.000) 1.248 104.757 ( -2.268 -0.908 0.000) 2.443 104.757 ( 2.268 -0.908 0.000) 2.443 105.032 ( -1.367 -4.149 0.000) 4.369 105.032 ( 1.367 -4.149 0.000) 4.369 106.786 ( -0.761 -2.770 0.000) 2.873 106.786 ( 0.761 -2.770 0.000) 2.873 107.133 ( -3.885 -10.735 0.000) 11.417 107.133 ( 3.885 -10.735 0.000) 11.417 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 22.773 0.000) 22.773 1.275 ( 0.000 29.927 0.000) 29.927 1.460 ( 0.000 21.671 0.000) 21.671 1.890 ( 0.000 -12.439 0.000) 12.439 2.143 ( 0.000 47.440 0.000) 47.440 2.322 ( 0.000 27.844 0.000) 27.844 2.787 ( 0.000 6.899 0.000) 6.899 3.002 ( 0.000 4.122 0.000) 4.122 3.082 ( 0.000 -2.847 0.000) 2.847 3.293 ( 0.000 4.924 0.000) 4.924 3.627 ( 0.000 23.037 0.000) 23.037 3.763 ( 0.000 20.872 0.000) 20.872 4.071 ( 0.000 -3.686 0.000) 3.686 4.130 ( 0.000 -4.138 0.000) 4.138 4.429 ( 0.000 10.043 0.000) 10.043 4.485 ( 0.000 15.587 0.000) 15.587 4.570 ( 0.000 10.879 0.000) 10.879 4.748 ( 0.000 -3.471 0.000) 3.471 4.872 ( 0.000 -7.590 0.000) 7.590 5.106 ( 0.000 4.426 0.000) 4.426 5.256 ( 0.000 -2.987 0.000) 2.987 5.261 ( 0.000 -1.943 0.000) 1.943 5.335 ( 0.000 -8.222 0.000) 8.222 5.724 ( 0.000 -19.021 0.000) 19.021 8.578 ( 0.000 -8.994 0.000) 8.994 8.686 ( 0.000 -5.384 0.000) 5.384 8.708 ( 0.000 -6.458 0.000) 6.458 8.749 ( 0.000 -5.885 0.000) 5.885 9.062 ( 0.000 5.147 0.000) 5.147 9.095 ( 0.000 8.574 0.000) 8.574 9.185 ( 0.000 -11.410 0.000) 11.410 9.225 ( 0.000 -9.937 0.000) 9.937 9.664 ( 0.000 31.600 0.000) 31.600 9.671 ( 0.000 -5.939 0.000) 5.939 9.701 ( 0.000 -7.002 0.000) 7.002 10.077 ( 0.000 1.578 0.000) 1.578 10.390 ( 0.000 8.805 0.000) 8.805 10.472 ( 0.000 8.848 0.000) 8.848 10.931 ( 0.000 0.851 0.000) 0.851 10.947 ( 0.000 2.864 0.000) 2.864 11.484 ( 0.000 -7.493 0.000) 7.493 11.559 ( 0.000 -1.812 0.000) 1.812 11.625 ( 0.000 6.344 0.000) 6.344 11.734 ( 0.000 -3.206 0.000) 3.206 12.388 ( 0.000 0.578 0.000) 0.578 12.426 ( 0.000 -0.459 0.000) 0.459 13.264 ( 0.000 -6.238 0.000) 6.238 13.400 ( 0.000 -13.927 0.000) 13.927 16.346 ( 0.000 16.465 0.000) 16.465 16.861 ( 0.000 13.541 0.000) 13.541 17.960 ( 0.000 44.967 0.000) 44.967 19.563 ( 0.000 -5.738 0.000) 5.738 20.590 ( 0.000 -17.449 0.000) 17.449 20.667 ( 0.000 -15.762 0.000) 15.762 20.697 ( 0.000 -17.889 0.000) 17.889 20.779 ( 0.000 -17.816 0.000) 17.816 22.250 ( 0.000 13.059 0.000) 13.059 22.376 ( 0.000 5.887 0.000) 5.887 22.715 ( 0.000 25.871 0.000) 25.871 22.803 ( 0.000 19.829 0.000) 19.829 23.187 ( 0.000 7.559 0.000) 7.559 23.556 ( 0.000 7.519 0.000) 7.519 23.833 ( 0.000 -2.658 0.000) 2.658 23.975 ( 0.000 2.671 0.000) 2.671 104.711 ( 0.000 0.046 0.000) 0.046 104.766 ( 0.000 -0.218 0.000) 0.218 104.789 ( 0.000 -1.519 0.000) 1.519 104.993 ( 0.000 -2.598 0.000) 2.598 106.686 ( 0.000 -2.815 0.000) 2.815 106.724 ( 0.000 -3.102 0.000) 3.102 106.725 ( 0.000 -4.468 0.000) 4.468 107.009 ( 0.000 -9.467 0.000) 9.467 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 8.169 17.608 0.000) 19.411 1.298 ( 2.225 28.560 0.000) 28.647 1.426 ( -2.932 22.540 0.000) 22.730 1.654 ( -17.968 -3.104 0.000) 18.234 2.239 ( 8.164 42.641 0.000) 43.415 2.417 ( 4.008 24.427 0.000) 24.754 2.835 ( 4.340 6.532 0.000) 7.843 2.986 ( -1.631 3.992 0.000) 4.313 3.098 ( 1.646 -1.813 0.000) 2.449 3.245 ( -4.280 5.080 0.000) 6.643 3.662 ( 3.247 22.578 0.000) 22.810 3.762 ( -0.417 20.956 0.000) 20.960 4.092 ( 1.796 -3.967 0.000) 4.354 4.131 ( 0.097 -4.511 0.000) 4.512 4.415 ( -0.249 11.493 0.000) 11.495 4.520 ( 2.851 14.167 0.000) 14.451 4.541 ( -2.933 10.191 0.000) 10.604 4.734 ( -3.197 1.681 0.000) 3.612 4.840 ( -2.472 -6.089 0.000) 6.572 4.847 ( -10.981 7.129 0.000) 13.092 5.280 ( 1.823 -4.468 0.000) 4.826 5.328 ( -0.561 -7.787 0.000) 7.807 5.506 ( 11.977 -11.306 0.000) 16.470 5.720 ( -0.713 -19.072 0.000) 19.086 8.595 ( 1.629 -8.706 0.000) 8.857 8.687 ( -1.963 -6.957 0.000) 7.229 8.694 ( 0.734 -5.352 0.000) 5.402 8.737 ( -1.031 -5.706 0.000) 5.798 9.074 ( 0.963 5.303 0.000) 5.390 9.096 ( 0.021 7.399 0.000) 7.399 9.189 ( 0.430 -11.246 0.000) 11.255 9.219 ( -0.652 -9.971 0.000) 9.992 9.668 ( 0.487 -0.253 0.000) 0.549 9.695 ( -0.539 -6.566 0.000) 6.588 9.716 ( 4.388 24.435 0.000) 24.826 9.999 ( -6.956 9.987 0.000) 12.171 10.403 ( 1.221 8.642 0.000) 8.728 10.463 ( -1.003 8.309 0.000) 8.369 10.937 ( 0.483 1.486 0.000) 1.562 10.948 ( 0.009 2.879 0.000) 2.879 11.472 ( -1.010 -6.833 0.000) 6.907 11.499 ( -3.369 -0.136 0.000) 3.371 11.670 ( 2.421 1.617 0.000) 2.912 11.727 ( -0.690 -2.652 0.000) 2.740 12.392 ( 0.387 0.483 0.000) 0.619 12.419 ( -0.629 -0.290 0.000) 0.693 13.287 ( 2.016 -7.956 0.000) 8.207 13.381 ( -1.811 -13.162 0.000) 13.286 16.448 ( 9.474 15.977 0.000) 18.575 16.820 ( -4.397 13.371 0.000) 14.075 18.030 ( 7.896 45.900 0.000) 46.574 19.073 ( -40.264 21.572 0.000) 45.678 20.575 ( -1.078 -17.752 0.000) 17.784 20.590 ( -3.525 -16.151 0.000) 16.532 20.718 ( 1.723 -17.567 0.000) 17.651 20.779 ( -0.671 -17.426 0.000) 17.439 22.263 ( 1.338 12.701 0.000) 12.771 22.352 ( -2.190 7.628 0.000) 7.936 22.734 ( 1.686 24.659 0.000) 24.717 22.796 ( -0.788 21.005 0.000) 21.020 23.263 ( 6.107 4.592 0.000) 7.640 23.504 ( -4.665 5.826 0.000) 7.464 23.863 ( 2.423 -1.046 0.000) 2.639 23.956 ( -1.730 2.229 0.000) 2.822 104.709 ( 0.739 -0.228 0.000) 0.773 104.773 ( -1.501 -1.312 0.000) 1.994 104.852 ( 5.833 -2.922 0.000) 6.524 104.984 ( -0.950 -3.028 0.000) 3.173 106.701 ( 0.600 -3.784 0.000) 3.831 106.721 ( -0.366 -4.344 0.000) 4.360 106.793 ( 6.369 -6.018 0.000) 8.763 106.989 ( -2.124 -9.660 0.000) 9.891 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -16.321 6.874 0.000) 17.709 1.292 ( 16.321 6.874 0.000) 17.709 1.359 ( -3.363 25.070 0.000) 25.294 1.359 ( 3.363 25.070 0.000) 25.294 2.397 ( -5.730 32.181 0.000) 32.687 2.397 ( 5.730 32.181 0.000) 32.687 2.930 ( -4.169 5.061 0.000) 6.557 2.930 ( 4.169 5.061 0.000) 6.557 3.154 ( -4.030 1.932 0.000) 4.469 3.154 ( 4.030 1.932 0.000) 4.469 3.731 ( -2.825 21.783 0.000) 21.965 3.731 ( 2.825 21.783 0.000) 21.965 4.125 ( -1.051 -4.595 0.000) 4.713 4.125 ( 1.051 -4.595 0.000) 4.713 4.455 ( -4.439 10.955 0.000) 11.820 4.455 ( 4.439 10.955 0.000) 11.820 4.598 ( -5.523 14.404 0.000) 15.427 4.598 ( 5.523 14.404 0.000) 15.427 4.799 ( -1.262 -4.133 0.000) 4.321 4.799 ( 1.262 -4.133 0.000) 4.321 5.311 ( -1.155 -6.457 0.000) 6.560 5.311 ( 1.155 -6.457 0.000) 6.560 5.672 ( -4.778 -17.674 0.000) 18.309 5.672 ( 4.778 -17.674 0.000) 18.309 8.639 ( -2.557 -7.933 0.000) 8.335 8.639 ( 2.557 -7.933 0.000) 8.335 8.714 ( -1.195 -5.434 0.000) 5.564 8.714 ( 1.195 -5.434 0.000) 5.564 9.091 ( -0.570 5.864 0.000) 5.891 9.091 ( 0.570 5.864 0.000) 5.891 9.202 ( -0.850 -10.548 0.000) 10.582 9.202 ( 0.850 -10.548 0.000) 10.582 9.681 ( -0.739 -5.109 0.000) 5.162 9.681 ( 0.739 -5.109 0.000) 5.162 9.842 ( -7.732 22.346 0.000) 23.646 9.842 ( 7.732 22.346 0.000) 23.646 10.434 ( -1.674 8.282 0.000) 8.450 10.434 ( 1.674 8.282 0.000) 8.450 10.946 ( -0.284 2.526 0.000) 2.542 10.946 ( 0.284 2.526 0.000) 2.542 11.460 ( -0.379 -3.989 0.000) 4.007 11.460 ( 0.379 -3.989 0.000) 4.007 11.707 ( -1.338 -1.092 0.000) 1.728 11.707 ( 1.338 -1.092 0.000) 1.728 12.404 ( -0.781 0.119 0.000) 0.790 12.404 ( 0.781 0.119 0.000) 0.790 13.335 ( -2.552 -10.986 0.000) 11.278 13.335 ( 2.552 -10.986 0.000) 11.278 16.668 ( -10.568 14.183 0.000) 17.687 16.668 ( 10.568 14.183 0.000) 17.687 18.352 ( -26.316 44.338 0.000) 51.560 18.352 ( 26.316 44.338 0.000) 51.560 20.561 ( -0.048 -17.666 0.000) 17.667 20.561 ( 0.048 -17.666 0.000) 17.667 20.754 ( -1.674 -17.303 0.000) 17.384 20.754 ( 1.674 -17.303 0.000) 17.384 22.302 ( -2.428 10.622 0.000) 10.896 22.302 ( 2.428 10.622 0.000) 10.896 22.770 ( -1.708 22.767 0.000) 22.831 22.770 ( 1.708 22.767 0.000) 22.831 23.391 ( -6.257 3.992 0.000) 7.422 23.391 ( 6.257 3.992 0.000) 7.422 23.913 ( -2.424 0.916 0.000) 2.591 23.913 ( 2.424 0.916 0.000) 2.591 104.737 ( -1.850 -0.843 0.000) 2.033 104.737 ( 1.850 -0.843 0.000) 2.033 104.945 ( -3.195 -3.818 0.000) 4.979 104.945 ( 3.195 -3.818 0.000) 4.979 106.712 ( -0.512 -4.061 0.000) 4.093 106.712 ( 0.512 -4.061 0.000) 4.093 106.918 ( -5.134 -9.374 0.000) 10.688 106.918 ( 5.134 -9.374 0.000) 10.688 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 20.263 0.000) 20.263 1.653 ( 0.000 -9.855 0.000) 9.855 1.879 ( 0.000 28.300 0.000) 28.300 1.940 ( 0.000 24.231 0.000) 24.231 2.740 ( 0.000 9.901 0.000) 9.901 2.811 ( 0.000 4.374 0.000) 4.374 2.964 ( 0.000 9.994 0.000) 9.994 3.113 ( 0.000 6.561 0.000) 6.561 3.257 ( 0.000 31.994 0.000) 31.994 3.495 ( 0.000 15.601 0.000) 15.601 3.976 ( 0.000 -4.930 0.000) 4.930 4.042 ( 0.000 -4.028 0.000) 4.028 4.104 ( 0.000 22.167 0.000) 22.167 4.208 ( 0.000 20.631 0.000) 20.631 4.578 ( 0.000 1.634 0.000) 1.634 4.659 ( 0.000 -5.606 0.000) 5.606 4.798 ( 0.000 13.823 0.000) 13.823 4.813 ( 0.000 4.071 0.000) 4.071 4.816 ( 0.000 12.388 0.000) 12.388 5.146 ( 0.000 -7.528 0.000) 7.528 5.195 ( 0.000 -2.652 0.000) 2.652 5.196 ( 0.000 2.326 0.000) 2.326 5.216 ( 0.000 -2.305 0.000) 2.305 5.392 ( 0.000 -13.309 0.000) 13.309 8.365 ( 0.000 -10.915 0.000) 10.915 8.495 ( 0.000 -12.023 0.000) 12.023 8.530 ( 0.000 -14.102 0.000) 14.102 8.536 ( 0.000 -9.684 0.000) 9.684 9.069 ( 0.000 -0.162 0.000) 0.162 9.122 ( 0.000 -0.431 0.000) 0.431 9.201 ( 0.000 7.854 0.000) 7.854 9.261 ( 0.000 8.077 0.000) 8.077 9.576 ( 0.000 -4.818 0.000) 4.818 9.581 ( 0.000 -2.379 0.000) 2.379 10.071 ( 0.000 -2.439 0.000) 2.439 10.130 ( 0.000 11.638 0.000) 11.638 10.518 ( 0.000 3.315 0.000) 3.315 10.618 ( 0.000 5.024 0.000) 5.024 10.925 ( 0.000 -2.225 0.000) 2.225 11.017 ( 0.000 -0.054 0.000) 0.054 11.396 ( 0.000 3.238 0.000) 3.238 11.571 ( 0.000 3.830 0.000) 3.830 11.708 ( 0.000 0.826 0.000) 0.826 11.746 ( 0.000 5.274 0.000) 5.274 12.396 ( 0.000 0.071 0.000) 0.071 12.412 ( 0.000 -0.829 0.000) 0.829 13.123 ( 0.000 -7.215 0.000) 7.215 13.147 ( 0.000 -10.661 0.000) 10.661 16.685 ( 0.000 16.218 0.000) 16.218 17.167 ( 0.000 15.589 0.000) 15.589 18.720 ( 0.000 25.121 0.000) 25.121 19.388 ( 0.000 -11.205 0.000) 11.205 20.289 ( 0.000 -11.508 0.000) 11.508 20.384 ( 0.000 -10.754 0.000) 10.754 20.399 ( 0.000 -9.888 0.000) 9.888 20.465 ( 0.000 -12.514 0.000) 12.514 22.450 ( 0.000 2.309 0.000) 2.309 22.471 ( 0.000 8.343 0.000) 8.343 23.015 ( 0.000 3.322 0.000) 3.322 23.201 ( 0.000 19.604 0.000) 19.604 23.506 ( 0.000 20.087 0.000) 20.087 23.772 ( 0.000 12.547 0.000) 12.547 23.779 ( 0.000 -1.415 0.000) 1.415 24.060 ( 0.000 5.403 0.000) 5.403 104.713 ( 0.000 0.137 0.000) 0.137 104.761 ( 0.000 -0.295 0.000) 0.295 104.763 ( 0.000 -0.948 0.000) 0.948 104.933 ( 0.000 -3.066 0.000) 3.066 106.621 ( 0.000 -3.313 0.000) 3.313 106.631 ( 0.000 -4.454 0.000) 4.454 106.653 ( 0.000 -3.670 0.000) 3.670 106.812 ( 0.000 -9.133 0.000) 9.133 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.479 17.678 0.000) 17.685 1.572 ( -6.555 -3.198 0.000) 7.293 1.881 ( 0.238 27.534 0.000) 27.535 1.920 ( -1.594 24.628 0.000) 24.680 2.789 ( 3.601 7.481 0.000) 8.303 2.826 ( 1.197 4.542 0.000) 4.697 2.996 ( 2.611 8.135 0.000) 8.544 3.092 ( -1.855 6.333 0.000) 6.599 3.300 ( 4.219 30.830 0.000) 31.118 3.480 ( -1.974 18.883 0.000) 18.986 3.990 ( 1.195 -4.975 0.000) 5.116 4.035 ( -0.665 -4.387 0.000) 4.437 4.127 ( 2.357 21.182 0.000) 21.313 4.207 ( -0.295 20.351 0.000) 20.353 4.577 ( 0.012 1.760 0.000) 1.761 4.636 ( -2.113 -4.120 0.000) 4.630 4.788 ( 0.105 6.899 0.000) 6.899 4.812 ( -0.378 10.736 0.000) 10.743 4.831 ( 1.214 11.195 0.000) 11.261 5.027 ( -8.656 7.648 0.000) 11.551 5.157 ( 0.593 -8.076 0.000) 8.097 5.191 ( -0.517 -3.926 0.000) 3.960 5.334 ( 4.653 -6.042 0.000) 7.626 5.397 ( 0.356 -12.480 0.000) 12.485 8.385 ( 1.915 -10.976 0.000) 11.142 8.497 ( -2.592 -11.607 0.000) 11.893 8.503 ( 0.789 -11.974 0.000) 12.000 8.537 ( -0.429 -11.922 0.000) 11.930 9.071 ( 0.311 -0.391 0.000) 0.499 9.109 ( -1.146 -0.487 0.000) 1.245 9.214 ( 1.140 7.841 0.000) 7.923 9.256 ( -0.520 7.940 0.000) 7.957 9.577 ( 0.147 -4.430 0.000) 4.432 9.581 ( -0.022 -2.704 0.000) 2.704 10.085 ( 1.244 -0.548 0.000) 1.359 10.127 ( -0.347 9.449 0.000) 9.455 10.529 ( 1.022 3.310 0.000) 3.464 10.597 ( -1.778 4.447 0.000) 4.789 10.942 ( 1.562 -1.863 0.000) 2.431 11.007 ( -1.017 -0.625 0.000) 1.194 11.415 ( 1.951 4.656 0.000) 5.049 11.541 ( -2.821 4.998 0.000) 5.739 11.712 ( 0.399 1.277 0.000) 1.338 11.739 ( -0.670 4.354 0.000) 4.405 12.397 ( 0.173 -0.010 0.000) 0.173 12.409 ( -0.286 -0.663 0.000) 0.722 13.125 ( 0.247 -7.702 0.000) 7.706 13.142 ( -0.432 -10.123 0.000) 10.132 16.774 ( 8.155 15.501 0.000) 17.515 17.118 ( -5.039 14.979 0.000) 15.804 18.773 ( 5.600 23.228 0.000) 23.893 19.246 ( -12.988 -1.923 0.000) 13.129 20.271 ( -1.161 -11.167 0.000) 11.227 20.323 ( -4.688 -9.427 0.000) 10.528 20.411 ( 2.118 -10.950 0.000) 11.153 20.475 ( -0.250 -11.708 0.000) 11.711 22.449 ( -0.101 2.945 0.000) 2.946 22.462 ( -0.744 6.991 0.000) 7.030 23.063 ( 4.085 5.479 0.000) 6.834 23.191 ( -1.170 17.526 0.000) 17.565 23.519 ( 1.387 18.250 0.000) 18.303 23.660 ( -5.506 8.156 0.000) 9.841 23.883 ( 4.875 4.758 0.000) 6.812 24.034 ( -2.419 5.354 0.000) 5.875 104.709 ( 0.264 0.200 0.000) 0.332 104.751 ( -1.087 -0.733 0.000) 1.312 104.808 ( 3.575 -1.592 0.000) 3.913 104.920 ( -1.343 -3.118 0.000) 3.395 106.624 ( 0.165 -3.649 0.000) 3.653 106.630 ( -0.116 -4.326 0.000) 4.327 106.683 ( 2.776 -4.888 0.000) 5.621 106.795 ( -1.681 -8.736 0.000) 8.896 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -4.206 8.993 0.000) 9.928 1.454 ( 4.206 8.993 0.000) 9.928 1.892 ( -0.967 25.882 0.000) 25.900 1.892 ( 0.967 25.882 0.000) 25.900 2.837 ( -0.736 5.190 0.000) 5.241 2.837 ( 0.736 5.190 0.000) 5.241 3.048 ( -2.419 6.565 0.000) 6.997 3.048 ( 2.419 6.565 0.000) 6.997 3.405 ( -5.267 25.592 0.000) 26.129 3.405 ( 5.267 25.592 0.000) 26.129 4.016 ( -1.215 -4.834 0.000) 4.984 4.016 ( 1.215 -4.834 0.000) 4.984 4.183 ( -2.377 20.033 0.000) 20.173 4.183 ( 2.377 20.033 0.000) 20.173 4.592 ( -1.738 -0.423 0.000) 1.789 4.592 ( 1.738 -0.423 0.000) 1.789 4.801 ( -0.711 6.934 0.000) 6.971 4.801 ( 0.711 6.934 0.000) 6.971 4.885 ( -4.920 12.129 0.000) 13.089 4.885 ( 4.920 12.129 0.000) 13.089 5.174 ( -0.996 -6.264 0.000) 6.343 5.174 ( 0.996 -6.264 0.000) 6.343 5.392 ( -1.297 -10.192 0.000) 10.274 5.392 ( 1.297 -10.192 0.000) 10.274 8.437 ( -3.074 -11.140 0.000) 11.556 8.437 ( 3.074 -11.140 0.000) 11.556 8.522 ( -0.961 -11.979 0.000) 12.017 8.522 ( 0.961 -11.979 0.000) 12.017 9.085 ( -1.073 -0.594 0.000) 1.226 9.085 ( 1.073 -0.594 0.000) 1.226 9.239 ( -1.137 7.830 0.000) 7.912 9.239 ( 1.137 7.830 0.000) 7.912 9.580 ( -0.105 -3.536 0.000) 3.537 9.580 ( 0.105 -3.536 0.000) 3.537 10.112 ( -1.195 4.287 0.000) 4.450 10.112 ( 1.195 4.287 0.000) 4.450 10.558 ( -1.869 3.624 0.000) 4.078 10.558 ( 1.869 3.624 0.000) 4.078 10.978 ( -1.788 -1.363 0.000) 2.248 10.978 ( 1.788 -1.363 0.000) 2.248 11.473 ( -3.550 6.104 0.000) 7.062 11.473 ( 3.550 6.104 0.000) 7.062 11.724 ( -0.753 2.592 0.000) 2.699 11.724 ( 0.753 2.592 0.000) 2.699 12.403 ( -0.342 -0.298 0.000) 0.454 12.403 ( 0.342 -0.298 0.000) 0.454 13.133 ( -0.454 -8.888 0.000) 8.900 13.133 ( 0.454 -8.888 0.000) 8.900 16.966 ( -9.654 14.513 0.000) 17.431 16.966 ( 9.654 14.513 0.000) 17.431 18.960 ( -13.043 14.702 0.000) 19.654 18.960 ( 13.043 14.702 0.000) 19.654 20.264 ( -0.997 -10.269 0.000) 10.317 20.264 ( 0.997 -10.269 0.000) 10.317 20.453 ( -1.775 -11.211 0.000) 11.351 20.453 ( 1.775 -11.211 0.000) 11.351 22.450 ( -0.317 4.668 0.000) 4.678 22.450 ( 0.317 4.668 0.000) 4.678 23.146 ( -3.455 11.530 0.000) 12.037 23.146 ( 3.455 11.530 0.000) 12.037 23.567 ( -3.542 13.172 0.000) 13.640 23.567 ( 3.542 13.172 0.000) 13.640 23.970 ( -3.811 5.050 0.000) 6.327 23.970 ( 3.811 5.050 0.000) 6.327 104.726 ( -1.263 -0.240 0.000) 1.285 104.726 ( 1.263 -0.240 0.000) 1.285 104.877 ( -2.941 -2.862 0.000) 4.104 104.877 ( 2.941 -2.862 0.000) 4.104 106.627 ( -0.159 -4.015 0.000) 4.018 106.627 ( 0.159 -4.015 0.000) 4.018 106.746 ( -3.093 -7.284 0.000) 7.913 106.746 ( 3.093 -7.284 0.000) 7.913 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 -2.724 0.000) 2.724 1.791 ( 0.000 16.319 0.000) 16.319 2.445 ( 0.000 26.228 0.000) 26.228 2.449 ( 0.000 24.591 0.000) 24.591 2.746 ( 0.000 -5.757 0.000) 5.757 2.756 ( 0.000 -6.411 0.000) 6.411 3.153 ( 0.000 8.960 0.000) 8.960 3.270 ( 0.000 8.374 0.000) 8.374 3.851 ( 0.000 13.131 0.000) 13.131 3.865 ( 0.000 -5.659 0.000) 5.659 3.981 ( 0.000 0.583 0.000) 0.583 4.010 ( 0.000 34.283 0.000) 34.283 4.491 ( 0.000 -10.776 0.000) 10.776 4.519 ( 0.000 17.436 0.000) 17.436 4.531 ( 0.000 -4.403 0.000) 4.403 4.592 ( 0.000 15.848 0.000) 15.848 4.960 ( 0.000 7.080 0.000) 7.080 5.005 ( 0.000 -4.597 0.000) 4.597 5.018 ( 0.000 5.568 0.000) 5.568 5.055 ( 0.000 9.358 0.000) 9.358 5.168 ( 0.000 1.514 0.000) 1.514 5.176 ( 0.000 -0.583 0.000) 0.583 5.192 ( 0.000 -4.893 0.000) 4.893 5.251 ( 0.000 2.053 0.000) 2.053 8.150 ( 0.000 -9.320 0.000) 9.320 8.236 ( 0.000 -13.084 0.000) 13.084 8.246 ( 0.000 -11.040 0.000) 11.040 8.323 ( 0.000 -10.528 0.000) 10.528 9.130 ( 0.000 5.227 0.000) 5.227 9.168 ( 0.000 4.257 0.000) 4.257 9.369 ( 0.000 7.878 0.000) 7.878 9.422 ( 0.000 7.064 0.000) 7.064 9.507 ( 0.000 -1.685 0.000) 1.685 9.577 ( 0.000 1.857 0.000) 1.857 9.977 ( 0.000 -6.310 0.000) 6.310 10.204 ( 0.000 -2.165 0.000) 2.165 10.534 ( 0.000 -1.326 0.000) 1.326 10.679 ( 0.000 0.981 0.000) 0.981 10.833 ( 0.000 -6.137 0.000) 6.137 10.880 ( 0.000 -10.245 0.000) 10.245 11.622 ( 0.000 13.878 0.000) 13.878 11.718 ( 0.000 9.495 0.000) 9.495 11.763 ( 0.000 4.069 0.000) 4.069 11.845 ( 0.000 4.339 0.000) 4.339 12.391 ( 0.000 -0.352 0.000) 0.352 12.395 ( 0.000 -0.641 0.000) 0.641 12.949 ( 0.000 -8.606 0.000) 8.606 12.970 ( 0.000 -7.492 0.000) 7.492 17.029 ( 0.000 17.320 0.000) 17.320 17.492 ( 0.000 15.591 0.000) 15.591 18.927 ( 0.000 -4.015 0.000) 4.015 19.110 ( 0.000 -15.135 0.000) 15.135 20.113 ( 0.000 -5.474 0.000) 5.474 20.249 ( 0.000 -5.128 0.000) 5.128 20.257 ( 0.000 -7.618 0.000) 7.618 20.284 ( 0.000 -0.255 0.000) 0.255 22.520 ( 0.000 5.172 0.000) 5.172 22.610 ( 0.000 5.481 0.000) 5.481 23.040 ( 0.000 -0.293 0.000) 0.293 23.409 ( 0.000 -0.712 0.000) 0.712 23.881 ( 0.000 12.165 0.000) 12.165 23.900 ( 0.000 16.917 0.000) 16.917 24.041 ( 0.000 12.665 0.000) 12.665 24.189 ( 0.000 6.617 0.000) 6.617 104.717 ( 0.000 0.245 0.000) 0.245 104.750 ( 0.000 -0.305 0.000) 0.305 104.754 ( 0.000 -0.349 0.000) 0.349 104.870 ( 0.000 -2.891 0.000) 2.891 106.546 ( 0.000 -3.661 0.000) 3.661 106.554 ( 0.000 -3.012 0.000) 3.012 106.578 ( 0.000 -3.420 0.000) 3.420 106.643 ( 0.000 -7.011 0.000) 7.011 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 3.779 1.778 0.000) 4.176 1.752 ( -3.784 14.893 0.000) 15.366 2.432 ( -1.272 24.223 0.000) 24.256 2.432 ( -1.012 25.269 0.000) 25.289 2.764 ( 1.439 -5.791 0.000) 5.968 2.772 ( 1.194 -6.479 0.000) 6.588 3.171 ( 1.560 8.688 0.000) 8.827 3.248 ( -1.852 8.439 0.000) 8.639 3.872 ( 0.704 -3.938 0.000) 4.000 3.880 ( 1.759 9.184 0.000) 9.351 3.988 ( 0.991 6.447 0.000) 6.523 4.019 ( 0.577 30.744 0.000) 30.750 4.467 ( -2.086 4.491 0.000) 4.952 4.478 ( -1.234 -8.863 0.000) 8.948 4.579 ( 1.743 7.250 0.000) 7.457 4.592 ( 0.065 14.474 0.000) 14.474 4.954 ( 0.294 7.887 0.000) 7.892 5.004 ( -0.171 -0.480 0.000) 0.509 5.027 ( 0.384 3.599 0.000) 3.619 5.054 ( -0.448 5.517 0.000) 5.535 5.134 ( -2.723 2.009 0.000) 3.384 5.145 ( -1.543 1.233 0.000) 1.976 5.219 ( 1.900 -3.399 0.000) 3.894 5.262 ( 0.331 -0.018 0.000) 0.332 8.164 ( 1.359 -9.771 0.000) 9.865 8.229 ( -0.816 -12.485 0.000) 12.511 8.255 ( 0.824 -11.079 0.000) 11.109 8.305 ( -1.515 -10.679 0.000) 10.786 9.128 ( 0.003 5.144 0.000) 5.144 9.157 ( -1.031 4.434 0.000) 4.552 9.380 ( 0.966 7.679 0.000) 7.740 9.417 ( -0.517 7.137 0.000) 7.156 9.518 ( 1.008 -1.228 0.000) 1.589 9.567 ( -0.917 1.284 0.000) 1.577 10.012 ( 3.255 -5.790 0.000) 6.642 10.172 ( -3.063 -2.994 0.000) 4.283 10.546 ( 1.250 -1.214 0.000) 1.742 10.643 ( -2.920 0.037 0.000) 2.921 10.855 ( 1.615 -5.912 0.000) 6.129 10.883 ( 0.167 -9.112 0.000) 9.114 11.639 ( 1.531 13.175 0.000) 13.264 11.706 ( -1.173 9.999 0.000) 10.068 11.773 ( 1.035 4.254 0.000) 4.378 11.832 ( -1.190 4.491 0.000) 4.646 12.392 ( 0.041 -0.377 0.000) 0.379 12.395 ( -0.060 -0.582 0.000) 0.585 12.952 ( 0.245 -8.413 0.000) 8.417 12.967 ( -0.322 -7.629 0.000) 7.636 17.103 ( 6.885 16.576 0.000) 17.949 17.432 ( -5.858 15.262 0.000) 16.348 18.947 ( 1.947 -4.900 0.000) 5.273 19.076 ( -3.114 -12.847 0.000) 13.219 20.113 ( 0.089 -4.764 0.000) 4.765 20.181 ( -3.538 -4.980 0.000) 6.108 20.291 ( 0.590 -1.465 0.000) 1.579 20.296 ( 1.077 -5.867 0.000) 5.965 22.524 ( 0.516 5.170 0.000) 5.195 22.582 ( -2.143 5.318 0.000) 5.733 23.107 ( 5.921 -0.364 0.000) 5.933 23.362 ( -4.467 -0.781 0.000) 4.535 23.881 ( 0.082 13.829 0.000) 13.829 23.896 ( -0.378 16.672 0.000) 16.676 24.067 ( 2.269 10.971 0.000) 11.204 24.168 ( -1.898 7.156 0.000) 7.403 104.715 ( 0.164 0.382 0.000) 0.416 104.743 ( -0.722 -0.145 0.000) 0.736 104.780 ( 2.123 -1.122 0.000) 2.401 104.858 ( -1.156 -2.745 0.000) 2.978 106.547 ( 0.111 -3.562 0.000) 3.564 106.553 ( -0.116 -3.102 0.000) 3.104 106.589 ( 1.039 -4.078 0.000) 4.208 106.635 ( -0.770 -6.604 0.000) 6.649 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -5.580 9.851 0.000) 11.321 1.652 ( 5.580 9.851 0.000) 11.321 2.418 ( -0.114 24.195 0.000) 24.195 2.418 ( 0.114 24.195 0.000) 24.195 2.784 ( -0.238 -6.290 0.000) 6.294 2.784 ( 0.238 -6.290 0.000) 6.294 3.208 ( -2.005 8.462 0.000) 8.696 3.208 ( 2.005 8.462 0.000) 8.696 3.888 ( -0.646 -0.010 0.000) 0.646 3.888 ( 0.646 -0.010 0.000) 0.646 4.017 ( -1.084 21.459 0.000) 21.486 4.017 ( 1.084 21.459 0.000) 21.486 4.453 ( -0.691 -2.639 0.000) 2.728 4.453 ( 0.691 -2.639 0.000) 2.728 4.594 ( -0.040 10.775 0.000) 10.776 4.594 ( 0.040 10.775 0.000) 10.776 4.984 ( -2.083 8.242 0.000) 8.501 4.984 ( 2.083 8.242 0.000) 8.501 5.033 ( -0.671 -1.074 0.000) 1.266 5.033 ( 0.671 -1.074 0.000) 1.266 5.118 ( -0.883 3.506 0.000) 3.616 5.118 ( 0.883 3.506 0.000) 3.616 5.253 ( -1.200 -2.098 0.000) 2.417 5.253 ( 1.200 -2.098 0.000) 2.417 8.200 ( -1.950 -10.953 0.000) 11.125 8.200 ( 1.950 -10.953 0.000) 11.125 8.276 ( -1.227 -11.073 0.000) 11.141 8.276 ( 1.227 -11.073 0.000) 11.141 9.136 ( -0.812 4.825 0.000) 4.893 9.136 ( 0.812 4.825 0.000) 4.893 9.401 ( -1.001 7.361 0.000) 7.429 9.401 ( 1.001 7.361 0.000) 7.429 9.543 ( -1.364 -0.036 0.000) 1.364 9.543 ( 1.364 -0.036 0.000) 1.364 10.093 ( -4.399 -4.531 0.000) 6.316 10.093 ( 4.399 -4.531 0.000) 6.316 10.585 ( -2.556 -0.811 0.000) 2.681 10.585 ( 2.556 -0.811 0.000) 2.681 10.880 ( -0.662 -7.042 0.000) 7.073 10.880 ( 0.662 -7.042 0.000) 7.073 11.675 ( -1.826 11.465 0.000) 11.610 11.675 ( 1.826 11.465 0.000) 11.610 11.802 ( -1.674 4.562 0.000) 4.859 11.802 ( 1.674 4.562 0.000) 4.859 12.393 ( -0.075 -0.463 0.000) 0.469 12.393 ( 0.075 -0.463 0.000) 0.469 12.959 ( -0.417 -7.994 0.000) 8.005 12.959 ( 0.417 -7.994 0.000) 8.005 17.274 ( -9.183 15.375 0.000) 17.908 17.274 ( 9.183 15.375 0.000) 17.908 19.004 ( -3.564 -8.112 0.000) 8.861 19.004 ( 3.564 -8.112 0.000) 8.861 20.127 ( -1.633 -4.084 0.000) 4.398 20.127 ( 1.633 -4.084 0.000) 4.398 20.302 ( -0.314 -3.815 0.000) 3.828 20.302 ( 0.314 -3.815 0.000) 3.828 22.544 ( -1.492 5.188 0.000) 5.399 22.544 ( 1.492 5.188 0.000) 5.399 23.243 ( -6.919 -0.643 0.000) 6.949 23.243 ( 6.919 -0.643 0.000) 6.949 23.887 ( -0.466 15.783 0.000) 15.790 23.887 ( 0.466 15.783 0.000) 15.790 24.120 ( -2.757 8.635 0.000) 9.065 24.120 ( 2.757 8.635 0.000) 9.065 104.726 ( -0.814 0.194 0.000) 0.837 104.726 ( 0.814 0.194 0.000) 0.837 104.825 ( -2.099 -2.171 0.000) 3.020 104.825 ( 2.099 -2.171 0.000) 3.020 106.550 ( -0.163 -3.327 0.000) 3.331 106.550 ( 0.163 -3.327 0.000) 3.331 106.614 ( -1.274 -5.466 0.000) 5.612 106.614 ( 1.274 -5.466 0.000) 5.612 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 7.662 0.000) 7.662 2.087 ( 0.000 12.301 0.000) 12.301 2.527 ( 0.000 -14.797 0.000) 14.797 2.617 ( 0.000 -6.517 0.000) 6.517 2.948 ( 0.000 23.305 0.000) 23.305 2.964 ( 0.000 23.843 0.000) 23.843 3.332 ( 0.000 8.181 0.000) 8.181 3.451 ( 0.000 8.836 0.000) 8.836 3.746 ( 0.000 -5.792 0.000) 5.792 3.858 ( 0.000 -4.283 0.000) 4.283 4.096 ( 0.000 -2.474 0.000) 2.474 4.191 ( 0.000 -15.694 0.000) 15.694 4.482 ( 0.000 4.059 0.000) 4.059 4.634 ( 0.000 22.474 0.000) 22.474 4.804 ( 0.000 8.986 0.000) 8.986 4.848 ( 0.000 8.396 0.000) 8.396 4.969 ( 0.000 1.614 0.000) 1.614 5.034 ( 0.000 -0.691 0.000) 0.691 5.065 ( 0.000 3.814 0.000) 3.814 5.114 ( 0.000 0.245 0.000) 0.245 5.195 ( 0.000 3.195 0.000) 3.195 5.251 ( 0.000 3.880 0.000) 3.880 5.266 ( 0.000 5.331 0.000) 5.331 5.274 ( 0.000 -0.001 0.000) 0.001 7.994 ( 0.000 -5.512 0.000) 5.512 8.016 ( 0.000 -7.729 0.000) 7.729 8.055 ( 0.000 -7.256 0.000) 7.256 8.117 ( 0.000 -8.987 0.000) 8.987 9.263 ( 0.000 7.214 0.000) 7.214 9.285 ( 0.000 6.721 0.000) 6.721 9.505 ( 0.000 4.516 0.000) 4.516 9.509 ( 0.000 1.880 0.000) 1.880 9.533 ( 0.000 3.111 0.000) 3.111 9.651 ( 0.000 5.123 0.000) 5.123 9.826 ( 0.000 -7.814 0.000) 7.814 10.101 ( 0.000 -6.956 0.000) 6.956 10.491 ( 0.000 -2.185 0.000) 2.185 10.667 ( 0.000 -1.790 0.000) 1.790 10.667 ( 0.000 -9.387 0.000) 9.387 10.701 ( 0.000 -5.761 0.000) 5.761 11.856 ( 0.000 4.515 0.000) 4.515 11.864 ( 0.000 8.496 0.000) 8.496 11.918 ( 0.000 8.504 0.000) 8.504 11.930 ( 0.000 3.906 0.000) 3.906 12.395 ( 0.000 1.295 0.000) 1.295 12.402 ( 0.000 1.806 0.000) 1.806 12.782 ( 0.000 -7.683 0.000) 7.683 12.810 ( 0.000 -8.010 0.000) 8.010 17.411 ( 0.000 19.541 0.000) 19.541 17.811 ( 0.000 15.209 0.000) 15.209 18.678 ( 0.000 -17.386 0.000) 17.386 18.782 ( 0.000 -16.190 0.000) 16.190 20.058 ( 0.000 -0.077 0.000) 0.077 20.144 ( 0.000 -3.514 0.000) 3.514 20.168 ( 0.000 -2.992 0.000) 2.992 20.275 ( 0.000 -2.014 0.000) 2.014 22.672 ( 0.000 9.199 0.000) 9.199 22.716 ( 0.000 5.119 0.000) 5.119 23.009 ( 0.000 -2.663 0.000) 2.663 23.292 ( 0.000 -8.370 0.000) 8.370 24.156 ( 0.000 12.109 0.000) 12.109 24.189 ( 0.000 10.812 0.000) 10.812 24.268 ( 0.000 8.650 0.000) 8.650 24.314 ( 0.000 5.024 0.000) 5.024 104.723 ( 0.000 0.334 0.000) 0.334 104.746 ( 0.000 -0.382 0.000) 0.382 104.749 ( 0.000 0.176 0.000) 0.176 104.816 ( 0.000 -2.228 0.000) 2.228 106.483 ( 0.000 -2.346 0.000) 2.346 106.501 ( 0.000 -2.013 0.000) 2.013 106.516 ( 0.000 -2.467 0.000) 2.467 106.525 ( 0.000 -4.324 0.000) 4.324 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 8.566 8.452 0.000) 12.033 2.026 ( -5.978 11.659 0.000) 13.102 2.536 ( 0.881 -13.316 0.000) 13.345 2.600 ( -1.560 -7.422 0.000) 7.584 2.946 ( -0.030 22.850 0.000) 22.850 2.960 ( -0.388 23.294 0.000) 23.297 3.350 ( 1.612 8.464 0.000) 8.616 3.431 ( -1.750 8.984 0.000) 9.152 3.764 ( 1.670 -5.487 0.000) 5.735 3.843 ( -1.434 -4.467 0.000) 4.692 4.123 ( 2.223 -5.882 0.000) 6.288 4.185 ( -0.605 -14.868 0.000) 14.880 4.503 ( 2.157 8.080 0.000) 8.363 4.617 ( -1.770 21.198 0.000) 21.272 4.805 ( 0.108 8.407 0.000) 8.407 4.833 ( -1.263 7.423 0.000) 7.530 4.978 ( 0.840 1.501 0.000) 1.720 5.022 ( -0.991 -0.368 0.000) 1.057 5.081 ( 1.472 4.300 0.000) 4.545 5.127 ( 1.190 0.876 0.000) 1.478 5.184 ( -1.073 2.805 0.000) 3.003 5.198 ( -3.906 3.517 0.000) 5.256 5.269 ( 1.512 3.602 0.000) 3.907 5.307 ( 0.665 2.506 0.000) 2.592 7.999 ( 0.469 -5.916 0.000) 5.934 8.017 ( 0.002 -7.551 0.000) 7.551 8.061 ( 0.509 -7.525 0.000) 7.542 8.101 ( -1.354 -8.691 0.000) 8.796 9.262 ( -0.020 7.359 0.000) 7.359 9.278 ( -0.611 6.957 0.000) 6.984 9.510 ( 0.572 4.326 0.000) 4.364 9.527 ( 1.751 2.050 0.000) 2.696 9.530 ( -0.260 3.233 0.000) 3.244 9.629 ( -2.113 4.523 0.000) 4.992 9.868 ( 3.892 -7.611 0.000) 8.548 10.060 ( -3.833 -7.075 0.000) 8.046 10.504 ( 1.437 -2.097 0.000) 2.543 10.615 ( -3.463 -2.103 0.000) 4.052 10.690 ( 1.838 -8.774 0.000) 8.965 10.726 ( 0.846 -5.961 0.000) 6.021 11.862 ( 0.642 5.795 0.000) 5.831 11.879 ( 1.234 7.093 0.000) 7.199 11.905 ( -1.069 7.359 0.000) 7.436 11.926 ( -0.577 5.107 0.000) 5.140 12.396 ( 0.104 1.386 0.000) 1.390 12.401 ( -0.082 1.750 0.000) 1.751 12.786 ( 0.380 -7.713 0.000) 7.723 12.806 ( -0.390 -7.948 0.000) 7.958 17.468 ( 5.450 18.746 0.000) 19.523 17.752 ( -5.616 15.626 0.000) 16.605 18.693 ( 1.455 -17.093 0.000) 17.155 18.767 ( -1.425 -16.220 0.000) 16.283 20.061 ( 0.390 -0.211 0.000) 0.444 20.107 ( -1.996 -2.034 0.000) 2.850 20.204 ( 2.090 -3.579 0.000) 4.145 20.266 ( -0.875 -2.322 0.000) 2.482 22.672 ( 0.041 8.801 0.000) 8.801 22.698 ( -1.327 6.031 0.000) 6.176 23.063 ( 4.688 -3.707 0.000) 5.977 23.258 ( -3.283 -7.617 0.000) 8.295 24.161 ( 0.480 11.850 0.000) 11.860 24.184 ( -0.419 10.944 0.000) 10.952 24.273 ( 0.546 8.119 0.000) 8.138 24.306 ( -0.735 5.559 0.000) 5.607 104.724 ( 0.219 0.444 0.000) 0.495 104.744 ( -0.491 0.260 0.000) 0.556 104.760 ( 1.174 -0.833 0.000) 1.439 104.808 ( -0.794 -2.061 0.000) 2.209 106.486 ( 0.261 -2.293 0.000) 2.308 106.499 ( -0.240 -2.056 0.000) 2.070 106.517 ( 0.151 -2.772 0.000) 2.776 106.524 ( -0.111 -4.083 0.000) 4.085 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -10.138 10.133 0.000) 14.334 1.858 ( 10.138 10.133 0.000) 14.334 2.563 ( -1.815 -10.052 0.000) 10.214 2.563 ( 1.815 -10.052 0.000) 10.214 2.951 ( -0.470 22.542 0.000) 22.547 2.951 ( 0.470 22.542 0.000) 22.547 3.390 ( -2.193 8.910 0.000) 9.176 3.390 ( 2.193 8.910 0.000) 9.176 3.805 ( -2.189 -4.913 0.000) 5.379 3.805 ( 2.189 -4.913 0.000) 5.379 4.164 ( -1.562 -11.757 0.000) 11.861 4.164 ( 1.562 -11.757 0.000) 11.861 4.563 ( -3.361 16.005 0.000) 16.354 4.563 ( 3.361 16.005 0.000) 16.354 4.811 ( -0.682 7.329 0.000) 7.361 4.811 ( 0.682 7.329 0.000) 7.361 4.999 ( -1.209 0.606 0.000) 1.353 4.999 ( 1.209 0.606 0.000) 1.353 5.126 ( -3.032 4.377 0.000) 5.324 5.126 ( 3.032 4.377 0.000) 5.324 5.156 ( -1.533 2.003 0.000) 2.522 5.156 ( 1.533 2.003 0.000) 2.522 5.300 ( -1.229 2.982 0.000) 3.226 5.300 ( 1.229 2.982 0.000) 3.226 8.011 ( -0.629 -6.838 0.000) 6.867 8.011 ( 0.629 -6.838 0.000) 6.867 8.075 ( -0.981 -8.102 0.000) 8.161 8.075 ( 0.981 -8.102 0.000) 8.161 9.266 ( -0.431 7.335 0.000) 7.347 9.266 ( 0.431 7.335 0.000) 7.347 9.522 ( -0.525 3.653 0.000) 3.690 9.522 ( 0.525 3.653 0.000) 3.690 9.576 ( -2.847 3.193 0.000) 4.279 9.576 ( 2.847 3.193 0.000) 4.279 9.964 ( -5.225 -7.309 0.000) 8.985 9.964 ( 5.225 -7.309 0.000) 8.985 10.549 ( -2.900 -1.933 0.000) 3.485 10.549 ( 2.900 -1.933 0.000) 3.485 10.723 ( -1.129 -7.448 0.000) 7.533 10.723 ( 1.129 -7.448 0.000) 7.533 11.881 ( -1.184 6.568 0.000) 6.674 11.881 ( 1.184 6.568 0.000) 6.674 11.906 ( -1.306 6.075 0.000) 6.213 11.906 ( 1.306 6.075 0.000) 6.213 12.398 ( -0.141 1.585 0.000) 1.591 12.398 ( 0.141 1.585 0.000) 1.591 12.796 ( -0.554 -7.814 0.000) 7.834 12.796 ( 0.554 -7.814 0.000) 7.834 17.609 ( -7.855 17.003 0.000) 18.730 17.609 ( 7.855 17.003 0.000) 18.730 18.730 ( -2.030 -16.527 0.000) 16.651 18.730 ( 2.030 -16.527 0.000) 16.651 20.076 ( -1.121 -0.789 0.000) 1.371 20.076 ( 1.121 -0.789 0.000) 1.371 20.241 ( -1.561 -3.062 0.000) 3.437 20.241 ( 1.561 -3.062 0.000) 3.437 22.678 ( -0.638 7.637 0.000) 7.664 22.678 ( 0.638 7.637 0.000) 7.664 23.169 ( -5.312 -5.772 0.000) 7.844 23.169 ( 5.312 -5.772 0.000) 7.844 24.173 ( -0.645 11.334 0.000) 11.352 24.173 ( 0.645 11.334 0.000) 11.352 24.288 ( -0.898 6.841 0.000) 6.900 24.288 ( 0.898 6.841 0.000) 6.900 104.732 ( -0.584 0.416 0.000) 0.717 104.732 ( 0.584 0.416 0.000) 0.717 104.786 ( -1.305 -1.556 0.000) 2.031 104.786 ( 1.305 -1.556 0.000) 2.031 106.492 ( -0.363 -2.169 0.000) 2.199 106.492 ( 0.363 -2.169 0.000) 2.199 106.521 ( -0.194 -3.460 0.000) 3.466 106.521 ( 0.194 -3.460 0.000) 3.466 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 15.761 0.000) 15.761 2.177 ( 0.000 -18.147 0.000) 18.147 2.307 ( 0.000 9.145 0.000) 9.145 2.475 ( 0.000 -7.290 0.000) 7.290 3.410 ( 0.000 21.225 0.000) 21.225 3.428 ( 0.000 20.612 0.000) 20.612 3.489 ( 0.000 6.975 0.000) 6.975 3.624 ( 0.000 -6.073 0.000) 6.073 3.629 ( 0.000 8.382 0.000) 8.382 3.741 ( 0.000 -7.761 0.000) 7.761 3.827 ( 0.000 -18.982 0.000) 18.982 3.862 ( 0.000 -15.451 0.000) 15.451 4.664 ( 0.000 9.943 0.000) 9.943 4.830 ( 0.000 -5.227 0.000) 5.227 4.886 ( 0.000 3.798 0.000) 3.798 4.925 ( 0.000 -0.164 0.000) 0.164 5.081 ( 0.000 3.950 0.000) 3.950 5.121 ( 0.000 0.698 0.000) 0.698 5.126 ( 0.000 10.542 0.000) 10.542 5.162 ( 0.000 3.674 0.000) 3.674 5.252 ( 0.000 -1.711 0.000) 1.711 5.258 ( 0.000 2.528 0.000) 2.528 5.290 ( 0.000 -0.130 0.000) 0.130 5.299 ( 0.000 -2.592 0.000) 2.592 7.925 ( 0.000 -1.065 0.000) 1.065 7.926 ( 0.000 -1.105 0.000) 1.105 7.947 ( 0.000 -3.148 0.000) 3.148 7.968 ( 0.000 -4.970 0.000) 4.970 9.413 ( 0.000 6.925 0.000) 6.925 9.431 ( 0.000 6.757 0.000) 6.757 9.527 ( 0.000 -2.870 0.000) 2.870 9.537 ( 0.000 -2.809 0.000) 2.809 9.578 ( 0.000 4.355 0.000) 4.355 9.679 ( 0.000 -5.794 0.000) 5.794 9.781 ( 0.000 7.178 0.000) 7.178 9.941 ( 0.000 -8.061 0.000) 8.061 10.466 ( 0.000 0.244 0.000) 0.244 10.516 ( 0.000 -4.876 0.000) 4.876 10.620 ( 0.000 -1.775 0.000) 1.775 10.624 ( 0.000 -1.750 0.000) 1.750 11.936 ( 0.000 2.861 0.000) 2.861 11.960 ( 0.000 1.082 0.000) 1.082 12.002 ( 0.000 2.796 0.000) 2.796 12.025 ( 0.000 1.458 0.000) 1.458 12.474 ( 0.000 6.518 0.000) 6.518 12.484 ( 0.000 5.946 0.000) 5.946 12.627 ( 0.000 -7.376 0.000) 7.376 12.638 ( 0.000 -8.517 0.000) 8.517 17.834 ( 0.000 21.077 0.000) 21.077 18.126 ( 0.000 15.304 0.000) 15.304 18.273 ( 0.000 -20.886 0.000) 20.886 18.449 ( 0.000 -15.843 0.000) 15.843 20.100 ( 0.000 3.834 0.000) 3.834 20.105 ( 0.000 -0.404 0.000) 0.404 20.119 ( 0.000 -1.628 0.000) 1.628 20.197 ( 0.000 -4.909 0.000) 4.909 22.826 ( 0.000 5.399 0.000) 5.399 22.881 ( 0.000 10.549 0.000) 10.549 22.932 ( 0.000 -4.629 0.000) 4.629 23.097 ( 0.000 -10.141 0.000) 10.141 24.343 ( 0.000 5.600 0.000) 5.600 24.347 ( 0.000 4.491 0.000) 4.491 24.380 ( 0.000 1.047 0.000) 1.047 24.381 ( 0.000 1.976 0.000) 1.976 104.730 ( 0.000 0.384 0.000) 0.384 104.738 ( 0.000 -0.396 0.000) 0.396 104.758 ( 0.000 0.679 0.000) 0.679 104.779 ( 0.000 -1.389 0.000) 1.389 106.452 ( 0.000 -0.546 0.000) 0.546 106.463 ( 0.000 -1.712 0.000) 1.712 106.474 ( 0.000 -0.557 0.000) 0.557 106.479 ( 0.000 -1.044 0.000) 1.044 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 7.564 14.188 0.000) 16.078 2.220 ( 4.091 -16.225 0.000) 16.733 2.243 ( -6.108 9.582 0.000) 11.363 2.431 ( -4.162 -8.628 0.000) 9.580 3.399 ( -0.443 19.984 0.000) 19.989 3.419 ( -0.798 20.442 0.000) 20.457 3.521 ( 2.485 8.607 0.000) 8.959 3.613 ( -1.510 8.596 0.000) 8.728 3.642 ( 1.717 -6.549 0.000) 6.770 3.725 ( -1.528 -7.656 0.000) 7.807 3.833 ( 0.557 -18.360 0.000) 18.369 3.858 ( -0.414 -15.894 0.000) 15.900 4.703 ( 3.675 8.835 0.000) 9.569 4.841 ( 0.971 -3.979 0.000) 4.096 4.870 ( -1.990 3.895 0.000) 4.374 4.898 ( -2.119 0.335 0.000) 2.145 5.082 ( 0.240 4.743 0.000) 4.750 5.110 ( -1.031 8.552 0.000) 8.614 5.135 ( 1.341 0.292 0.000) 1.373 5.184 ( 1.370 3.224 0.000) 3.503 5.223 ( -1.972 0.421 0.000) 2.016 5.248 ( -0.914 3.075 0.000) 3.208 5.296 ( 0.527 -0.934 0.000) 1.073 5.309 ( 0.346 -3.108 0.000) 3.127 7.925 ( -0.057 -1.206 0.000) 1.207 7.925 ( 0.018 -1.310 0.000) 1.310 7.947 ( 0.017 -3.358 0.000) 3.358 7.960 ( -0.625 -4.518 0.000) 4.561 9.415 ( 0.214 6.992 0.000) 6.995 9.427 ( -0.290 6.888 0.000) 6.894 9.527 ( 0.089 -2.815 0.000) 2.817 9.535 ( -0.159 -2.834 0.000) 2.839 9.605 ( 2.574 4.859 0.000) 5.499 9.719 ( 3.694 -6.334 0.000) 7.332 9.748 ( -3.034 6.773 0.000) 7.421 9.901 ( -3.664 -7.812 0.000) 8.628 10.484 ( 1.795 0.629 0.000) 1.902 10.542 ( 2.278 -5.078 0.000) 5.565 10.586 ( -2.419 -0.040 0.000) 2.420 10.624 ( -0.841 -3.634 0.000) 3.730 11.945 ( 0.908 2.893 0.000) 3.032 11.970 ( 0.949 1.065 0.000) 1.427 11.992 ( -0.937 2.855 0.000) 3.005 12.016 ( -0.839 1.320 0.000) 1.565 12.476 ( 0.174 6.439 0.000) 6.441 12.483 ( -0.097 6.029 0.000) 6.029 12.628 ( 0.176 -7.526 0.000) 7.528 12.636 ( -0.135 -8.335 0.000) 8.336 17.875 ( 3.905 20.306 0.000) 20.678 18.082 ( -4.191 16.227 0.000) 16.760 18.299 ( 2.457 -20.230 0.000) 20.378 18.423 ( -2.413 -16.672 0.000) 16.846 20.097 ( -0.334 0.924 0.000) 0.983 20.098 ( -0.180 3.485 0.000) 3.490 20.138 ( 1.324 -2.780 0.000) 3.079 20.188 ( -0.843 -4.668 0.000) 4.744 22.831 ( 0.566 6.581 0.000) 6.605 22.871 ( -0.902 10.063 0.000) 10.104 22.962 ( 2.643 -5.831 0.000) 6.402 23.077 ( -1.969 -9.573 0.000) 9.773 24.343 ( -0.001 5.422 0.000) 5.422 24.346 ( -0.084 4.632 0.000) 4.632 24.380 ( -0.049 1.201 0.000) 1.202 24.380 ( -0.071 1.852 0.000) 1.854 104.733 ( 0.345 0.507 0.000) 0.613 104.745 ( 0.618 -0.630 0.000) 0.883 104.753 ( -0.415 0.679 0.000) 0.796 104.774 ( -0.515 -1.295 0.000) 1.394 106.455 ( 0.310 -0.551 0.000) 0.632 106.466 ( 0.216 -1.615 0.000) 1.630 106.471 ( -0.293 -0.566 0.000) 0.637 106.477 ( -0.217 -1.137 0.000) 1.157 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -9.557 11.322 0.000) 14.817 2.079 ( 9.557 11.322 0.000) 14.817 2.325 ( -5.847 -12.113 0.000) 13.451 2.325 ( 5.847 -12.113 0.000) 13.451 3.402 ( -0.693 20.051 0.000) 20.063 3.402 ( 0.693 20.051 0.000) 20.063 3.572 ( -2.411 8.930 0.000) 9.249 3.572 ( 2.411 8.930 0.000) 9.249 3.685 ( -2.292 -7.249 0.000) 7.603 3.685 ( 2.292 -7.249 0.000) 7.603 3.846 ( -0.689 -17.040 0.000) 17.054 3.846 ( 0.689 -17.040 0.000) 17.054 4.794 ( -4.854 6.130 0.000) 7.819 4.794 ( 4.854 6.130 0.000) 7.819 4.865 ( -1.361 -1.219 0.000) 1.827 4.865 ( 1.361 -1.219 0.000) 1.827 5.092 ( -0.729 6.466 0.000) 6.507 5.092 ( 0.729 6.466 0.000) 6.507 5.170 ( -1.984 -0.597 0.000) 2.072 5.170 ( 1.984 -0.597 0.000) 2.072 5.224 ( -1.408 4.369 0.000) 4.590 5.224 ( 1.408 4.369 0.000) 4.590 5.307 ( -0.437 -2.452 0.000) 2.490 5.307 ( 0.437 -2.452 0.000) 2.490 7.925 ( -0.051 -1.466 0.000) 1.467 7.925 ( 0.051 -1.466 0.000) 1.467 7.950 ( -0.302 -3.781 0.000) 3.794 7.950 ( 0.302 -3.781 0.000) 3.794 9.421 ( -0.316 7.043 0.000) 7.050 9.421 ( 0.316 7.043 0.000) 7.050 9.531 ( -0.249 -2.852 0.000) 2.862 9.531 ( 0.249 -2.852 0.000) 2.862 9.673 ( -3.964 5.887 0.000) 7.097 9.673 ( 3.964 5.887 0.000) 7.097 9.810 ( -4.966 -7.201 0.000) 8.747 9.810 ( 4.966 -7.201 0.000) 8.747 10.532 ( -2.744 0.819 0.000) 2.864 10.532 ( 2.744 0.819 0.000) 2.864 10.591 ( -2.272 -4.864 0.000) 5.368 10.591 ( 2.272 -4.864 0.000) 5.368 11.969 ( -1.303 2.917 0.000) 3.195 11.969 ( 1.303 2.917 0.000) 3.195 11.994 ( -1.266 1.118 0.000) 1.689 11.994 ( 1.266 1.118 0.000) 1.689 12.480 ( -0.194 6.235 0.000) 6.239 12.480 ( 0.194 6.235 0.000) 6.239 12.633 ( -0.224 -7.914 0.000) 7.917 12.633 ( 0.224 -7.914 0.000) 7.917 17.976 ( -5.714 18.342 0.000) 19.211 17.976 ( 5.714 18.342 0.000) 19.211 18.361 ( -3.452 -18.536 0.000) 18.855 18.361 ( 3.452 -18.536 0.000) 18.855 20.095 ( -0.079 2.468 0.000) 2.469 20.095 ( 0.079 2.468 0.000) 2.469 20.165 ( -1.345 -3.952 0.000) 4.175 20.165 ( 1.345 -3.952 0.000) 4.175 22.849 ( -1.155 8.621 0.000) 8.698 22.849 ( 1.155 8.621 0.000) 8.698 23.024 ( -3.146 -7.971 0.000) 8.569 23.024 ( 3.146 -7.971 0.000) 8.569 24.344 ( -0.066 5.008 0.000) 5.008 24.344 ( 0.066 5.008 0.000) 5.008 24.379 ( -0.017 1.542 0.000) 1.542 24.379 ( 0.017 1.542 0.000) 1.542 104.743 ( -0.559 0.640 0.000) 0.850 104.743 ( 0.559 0.640 0.000) 0.850 104.760 ( -0.780 -1.018 0.000) 1.283 104.760 ( 0.780 -1.018 0.000) 1.283 106.463 ( -0.431 -0.564 0.000) 0.710 106.463 ( 0.431 -0.564 0.000) 0.710 106.471 ( -0.301 -1.376 0.000) 1.408 106.471 ( 0.301 -1.376 0.000) 1.408 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.000 0.000 15.602) 15.602 0.630 ( 0.000 0.000 31.011) 31.011 0.837 ( 0.000 0.000 38.715) 38.715 1.256 ( 0.000 0.000 28.566) 28.566 1.542 ( 0.000 0.000 11.215) 11.215 2.314 ( 0.000 0.000 -6.063) 6.063 2.739 ( 0.000 0.000 10.160) 10.160 2.885 ( 0.000 0.000 -0.823) 0.823 3.131 ( 0.000 0.000 -3.069) 3.069 3.179 ( 0.000 0.000 -6.136) 6.136 3.211 ( 0.000 0.000 0.127) 0.127 3.476 ( 0.000 0.000 3.599) 3.599 3.957 ( 0.000 0.000 -0.244) 0.244 4.073 ( 0.000 0.000 0.657) 0.657 4.098 ( 0.000 0.000 -4.942) 4.942 4.148 ( 0.000 0.000 -1.254) 1.254 4.197 ( 0.000 0.000 -3.618) 3.618 4.306 ( 0.000 0.000 -0.769) 0.769 4.842 ( 0.000 0.000 -4.272) 4.272 5.054 ( 0.000 0.000 -6.914) 6.914 5.300 ( 0.000 0.000 -0.547) 0.547 5.515 ( 0.000 0.000 -0.510) 0.510 5.614 ( 0.000 0.000 -1.801) 1.801 6.296 ( 0.000 0.000 -21.525) 21.525 8.168 ( 0.000 0.000 0.106) 0.106 8.197 ( 0.000 0.000 0.021) 0.021 8.740 ( 0.000 0.000 -1.169) 1.169 8.743 ( 0.000 0.000 -4.241) 4.241 8.910 ( 0.000 0.000 -8.729) 8.729 8.989 ( 0.000 0.000 -9.817) 9.817 9.143 ( 0.000 0.000 24.553) 24.553 9.436 ( 0.000 0.000 10.548) 10.548 9.727 ( 0.000 0.000 6.429) 6.429 9.737 ( 0.000 0.000 5.831) 5.831 9.921 ( 0.000 0.000 1.068) 1.068 9.953 ( 0.000 0.000 0.935) 0.935 10.142 ( 0.000 0.000 1.925) 1.925 10.752 ( 0.000 0.000 -13.824) 13.824 10.892 ( 0.000 0.000 0.987) 0.987 11.444 ( 0.000 0.000 -0.891) 0.891 11.570 ( 0.000 0.000 -5.239) 5.239 11.739 ( 0.000 0.000 5.519) 5.519 11.843 ( 0.000 0.000 0.270) 0.270 11.913 ( 0.000 0.000 2.586) 2.586 12.452 ( 0.000 0.000 2.168) 2.168 12.484 ( 0.000 0.000 10.398) 10.398 13.407 ( 0.000 0.000 -0.496) 0.496 13.804 ( 0.000 0.000 -11.030) 11.030 15.877 ( 0.000 0.000 0.922) 0.922 15.900 ( 0.000 0.000 0.908) 0.908 16.517 ( 0.000 0.000 -1.187) 1.187 16.528 ( 0.000 0.000 -1.440) 1.440 21.367 ( 0.000 0.000 1.123) 1.123 21.412 ( 0.000 0.000 11.160) 11.160 21.553 ( 0.000 0.000 -0.125) 0.125 21.715 ( 0.000 0.000 6.881) 6.881 21.799 ( 0.000 0.000 -0.167) 0.167 21.840 ( 0.000 0.000 7.388) 7.388 22.029 ( 0.000 0.000 -2.267) 2.267 22.734 ( 0.000 0.000 -2.415) 2.415 23.102 ( 0.000 0.000 -0.336) 0.336 23.496 ( 0.000 0.000 -3.030) 3.030 23.836 ( 0.000 0.000 -5.052) 5.052 23.887 ( 0.000 0.000 -4.927) 4.927 104.712 ( 0.000 0.000 0.148) 0.148 104.771 ( 0.000 0.000 0.038) 0.038 104.972 ( 0.000 0.000 -0.635) 0.635 105.045 ( 0.000 0.000 -0.703) 0.703 106.753 ( 0.000 0.000 0.291) 0.291 106.792 ( 0.000 0.000 -0.241) 0.241 106.861 ( 0.000 0.000 0.073) 0.073 107.211 ( 0.000 0.000 -3.748) 3.748 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 19.163 0.000 15.742) 24.799 0.796 ( 14.384 0.000 24.246) 28.192 1.023 ( 21.571 0.000 23.151) 31.642 1.192 ( -5.393 0.000 27.909) 28.425 1.418 ( -11.546 0.000 12.505) 17.020 2.103 ( -18.667 0.000 -1.713) 18.745 2.807 ( 6.487 0.000 10.616) 12.441 2.944 ( 5.234 0.000 -1.605) 5.474 3.098 ( -3.297 0.000 1.445) 3.600 3.148 ( -3.062 0.000 -5.349) 6.163 3.196 ( -1.401 0.000 -0.681) 1.558 3.255 ( -9.209 0.000 11.496) 14.730 3.963 ( 0.709 0.000 -0.273) 0.760 4.034 ( -2.624 0.000 0.095) 2.626 4.157 ( 2.364 0.000 -7.421) 7.788 4.192 ( 3.098 0.000 -0.808) 3.202 4.215 ( 0.161 0.000 -5.180) 5.183 4.292 ( -1.425 0.000 -0.750) 1.611 4.849 ( 1.133 0.000 -4.769) 4.902 4.981 ( -5.494 0.000 -5.805) 7.993 5.335 ( 4.951 0.000 -4.500) 6.690 5.515 ( -2.884 0.000 -0.357) 2.906 6.091 ( 24.993 0.000 -32.627) 41.100 6.339 ( 3.286 0.000 -23.807) 24.032 8.172 ( 0.395 0.000 0.094) 0.407 8.193 ( -0.392 0.000 0.034) 0.393 8.737 ( -0.023 0.000 -2.301) 2.301 8.745 ( -0.041 0.000 -2.527) 2.527 8.921 ( 1.108 0.000 -8.879) 8.948 8.978 ( -1.097 0.000 -9.648) 9.711 9.166 ( 2.376 0.000 25.596) 25.706 9.368 ( -6.055 0.000 18.909) 19.855 9.729 ( 0.118 0.000 6.328) 6.329 9.735 ( -0.146 0.000 5.906) 5.907 9.926 ( 0.467 0.000 1.052) 1.151 9.949 ( -0.432 0.000 0.957) 1.050 10.151 ( 1.273 0.000 4.076) 4.270 10.505 ( -20.677 0.000 7.957) 22.155 10.915 ( 1.719 0.000 2.581) 3.101 11.081 ( -13.487 0.000 24.245) 27.744 11.572 ( 0.191 0.000 -5.263) 5.267 11.594 ( -1.528 0.000 -3.837) 4.130 11.914 ( 0.589 0.000 2.323) 2.397 11.924 ( 0.559 0.000 3.664) 3.707 12.436 ( -0.947 0.000 6.868) 6.933 12.447 ( -0.506 0.000 2.617) 2.665 13.666 ( 10.530 0.000 -15.030) 18.352 13.801 ( -0.417 0.000 -11.314) 11.322 15.880 ( 0.294 0.000 0.924) 0.969 15.896 ( -0.335 0.000 0.914) 0.974 16.519 ( 0.172 0.000 -1.228) 1.240 16.527 ( -0.137 0.000 -1.407) 1.414 21.385 ( 1.823 0.000 1.046) 2.102 21.433 ( 2.455 0.000 13.116) 13.343 21.509 ( -3.543 0.000 0.300) 3.556 21.737 ( 2.007 0.000 7.445) 7.711 21.807 ( -5.506 0.000 9.675) 11.132 21.849 ( 4.140 0.000 -0.717) 4.201 21.964 ( -30.562 0.000 31.088) 43.595 22.004 ( -2.418 0.000 -2.065) 3.180 23.281 ( 5.415 0.000 -5.098) 7.437 23.434 ( -3.645 0.000 -1.517) 3.948 23.845 ( 0.784 0.000 -5.018) 5.079 23.880 ( -0.624 0.000 -4.933) 4.972 104.726 ( 1.587 0.000 0.080) 1.589 104.807 ( -0.548 0.000 -0.496) 0.739 105.009 ( 2.629 0.000 -4.062) 4.839 105.061 ( 0.555 0.000 -1.722) 1.809 106.798 ( 0.626 0.000 -0.237) 0.669 106.828 ( -0.193 0.000 -0.379) 0.425 107.029 ( 12.093 0.000 -12.207) 17.182 107.206 ( -0.676 0.000 -4.719) 4.768 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -10.652 0.000 26.435) 28.501 0.995 ( 10.652 0.000 26.435) 28.501 1.123 ( -16.734 0.000 16.562) 23.544 1.123 ( 16.734 0.000 16.562) 23.544 1.618 ( -28.788 0.000 3.875) 29.048 1.618 ( 28.788 0.000 3.875) 29.048 2.968 ( -8.617 0.000 11.425) 14.311 2.968 ( 8.617 0.000 11.425) 14.311 3.059 ( -5.519 0.000 -3.468) 6.518 3.059 ( 5.519 0.000 -3.468) 6.518 3.179 ( -0.753 0.000 -0.610) 0.969 3.179 ( 0.753 0.000 -0.610) 0.969 3.988 ( -1.788 0.000 -0.208) 1.800 3.988 ( 1.788 0.000 -0.208) 1.800 4.197 ( -1.627 0.000 -5.999) 6.216 4.197 ( 1.627 0.000 -5.999) 6.216 4.251 ( -2.611 0.000 -0.725) 2.710 4.251 ( 2.611 0.000 -0.725) 2.710 4.892 ( -3.246 0.000 -5.412) 6.311 4.892 ( 3.246 0.000 -5.412) 6.311 5.436 ( -4.733 0.000 -3.035) 5.622 5.436 ( 4.733 0.000 -3.035) 5.622 6.356 ( -3.808 0.000 -30.338) 30.576 6.356 ( 3.808 0.000 -30.338) 30.576 8.183 ( -0.557 0.000 0.065) 0.561 8.183 ( 0.557 0.000 0.065) 0.561 8.741 ( -0.290 0.000 -2.152) 2.171 8.741 ( 0.290 0.000 -2.152) 2.171 8.950 ( -1.560 0.000 -9.254) 9.385 8.950 ( 1.560 0.000 -9.254) 9.385 9.243 ( -5.361 0.000 26.379) 26.918 9.243 ( 5.361 0.000 26.379) 26.918 9.732 ( -0.191 0.000 6.104) 6.107 9.732 ( 0.191 0.000 6.104) 6.107 9.937 ( -0.634 0.000 1.007) 1.190 9.937 ( 0.634 0.000 1.007) 1.190 10.224 ( -7.223 0.000 10.374) 12.641 10.224 ( 7.223 0.000 10.374) 12.641 10.958 ( -2.839 0.000 8.243) 8.718 10.958 ( 2.839 0.000 8.243) 8.718 11.578 ( -0.440 0.000 -5.332) 5.350 11.578 ( 0.440 0.000 -5.332) 5.350 11.923 ( -0.391 0.000 3.521) 3.542 11.923 ( 0.391 0.000 3.521) 3.542 12.436 ( -0.495 0.000 3.891) 3.922 12.436 ( 0.495 0.000 3.891) 3.922 13.778 ( -2.416 0.000 -12.657) 12.886 13.778 ( 2.416 0.000 -12.657) 12.886 15.888 ( -0.444 0.000 0.923) 1.024 15.888 ( 0.444 0.000 0.923) 1.024 16.523 ( -0.218 0.000 -1.322) 1.340 16.523 ( 0.218 0.000 -1.322) 1.340 21.437 ( -3.288 0.000 0.787) 3.381 21.437 ( 3.288 0.000 0.787) 3.381 21.539 ( -9.374 0.000 20.379) 22.431 21.539 ( 9.374 0.000 20.379) 22.431 21.790 ( -2.939 0.000 7.947) 8.473 21.790 ( 2.939 0.000 7.947) 8.473 21.937 ( -4.130 0.000 -1.504) 4.395 21.937 ( 4.130 0.000 -1.504) 4.395 23.363 ( -3.534 0.000 -2.887) 4.564 23.363 ( 3.534 0.000 -2.887) 4.564 23.863 ( -0.975 0.000 -4.964) 5.059 23.863 ( 0.975 0.000 -4.964) 5.059 104.769 ( -2.423 0.000 0.166) 2.428 104.769 ( 2.423 0.000 0.166) 2.428 105.051 ( -1.436 0.000 -2.779) 3.128 105.051 ( 1.436 0.000 -2.779) 3.128 106.814 ( -0.892 0.000 -0.135) 0.903 106.814 ( 0.892 0.000 -0.135) 0.903 107.171 ( -3.396 0.000 -8.077) 8.761 107.171 ( 3.396 0.000 -8.077) 8.761 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 18.596 7.681) 20.120 0.731 ( 0.000 19.525 14.803) 24.502 1.313 ( 0.000 8.198 20.642) 22.210 1.454 ( 0.000 40.862 25.546) 48.191 1.864 ( 0.000 25.341 12.618) 28.309 2.140 ( 0.000 -11.454 -1.664) 11.574 2.761 ( 0.000 2.900 8.736) 9.204 3.016 ( 0.000 -3.378 3.790) 5.077 3.110 ( 0.000 10.419 -1.540) 10.532 3.220 ( 0.000 2.009 -0.913) 2.207 3.262 ( 0.000 2.891 6.039) 6.696 3.338 ( 0.000 13.631 -4.927) 14.494 4.064 ( 0.000 -2.336 -5.687) 6.148 4.163 ( 0.000 11.377 -2.931) 11.748 4.164 ( 0.000 -2.646 -3.881) 4.697 4.240 ( 0.000 7.542 -0.523) 7.560 4.383 ( 0.000 6.838 -0.157) 6.839 4.586 ( 0.000 19.596 -16.747) 25.778 4.824 ( 0.000 -0.917 -5.495) 5.571 4.985 ( 0.000 -6.144 -5.745) 8.411 5.287 ( 0.000 -1.223 -0.643) 1.382 5.433 ( 0.000 -6.152 2.275) 6.559 5.531 ( 0.000 -5.083 2.948) 5.876 6.045 ( 0.000 -18.940 -12.746) 22.830 8.392 ( 0.000 14.550 -11.997) 18.858 8.441 ( 0.000 11.202 -16.337) 19.809 8.669 ( 0.000 -6.578 -4.129) 7.766 8.695 ( 0.000 -5.216 -9.167) 10.547 8.948 ( 0.000 3.359 -4.105) 5.304 9.010 ( 0.000 1.646 -3.372) 3.752 9.280 ( 0.000 11.288 17.065) 20.460 9.398 ( 0.000 -4.901 6.441) 8.093 9.624 ( 0.000 -5.087 12.239) 13.254 9.760 ( 0.000 -2.858 1.438) 3.199 9.853 ( 0.000 -6.713 0.409) 6.725 9.960 ( 0.000 7.603 1.193) 7.696 10.300 ( 0.000 10.724 1.434) 10.820 10.709 ( 0.000 -4.192 -7.589) 8.670 10.891 ( 0.000 -0.272 1.373) 1.399 11.142 ( 0.000 -24.982 33.435) 41.738 11.445 ( 0.000 -0.628 -3.561) 3.616 11.540 ( 0.000 -3.826 -4.456) 5.873 11.740 ( 0.000 0.810 8.114) 8.154 11.895 ( 0.000 -0.938 5.216) 5.300 12.438 ( 0.000 -0.766 6.494) 6.539 12.450 ( 0.000 -0.270 2.056) 2.073 13.367 ( 0.000 -3.764 -0.551) 3.804 13.635 ( 0.000 -12.952 -7.617) 15.026 16.039 ( 0.000 12.428 0.751) 12.451 16.622 ( 0.000 8.804 -0.714) 8.833 16.953 ( 0.000 37.469 -6.131) 37.967 17.720 ( 0.000 82.479 -85.706) 118.947 20.991 ( 0.000 -23.221 4.581) 23.669 21.003 ( 0.000 -22.233 0.656) 22.242 21.245 ( 0.000 -23.804 3.694) 24.089 21.547 ( 0.000 -28.497 4.700) 28.882 21.990 ( 0.000 16.883 5.841) 17.865 22.202 ( 0.000 26.683 3.960) 26.975 22.350 ( 0.000 26.721 5.370) 27.255 22.697 ( 0.000 -1.229 20.847) 20.883 23.115 ( 0.000 1.438 -0.149) 1.446 23.444 ( 0.000 0.298 -2.126) 2.146 23.827 ( 0.000 -0.885 -4.646) 4.730 23.896 ( 0.000 1.182 -4.428) 4.583 104.710 ( 0.000 -0.117 0.100) 0.154 104.770 ( 0.000 -0.140 0.015) 0.141 104.885 ( 0.000 -4.472 3.168) 5.481 105.029 ( 0.000 -1.474 -0.670) 1.619 106.736 ( 0.000 -1.638 0.267) 1.659 106.770 ( 0.000 -2.024 -0.352) 2.054 106.821 ( 0.000 -3.178 0.839) 3.287 107.147 ( 0.000 -5.924 -3.218) 6.742 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 14.767 8.300 13.504) 21.664 0.899 ( 15.895 15.330 9.434) 24.014 1.241 ( -6.783 8.878 19.629) 22.586 1.576 ( 11.533 37.045 19.740) 43.532 1.669 ( -16.202 13.408 11.569) 24.003 2.099 ( -6.514 6.036 1.766) 9.055 2.824 ( 5.706 2.350 9.093) 10.990 3.001 ( -1.156 -2.090 4.282) 4.903 3.117 ( 0.752 6.274 -0.989) 6.396 3.205 ( -2.783 -0.201 4.056) 4.923 3.247 ( 0.389 9.960 -1.281) 10.050 3.332 ( -1.081 14.285 -4.689) 15.074 4.089 ( 2.212 -1.076 -4.821) 5.412 4.142 ( -0.964 7.587 -2.763) 8.132 4.166 ( -0.104 1.015 -3.721) 3.858 4.262 ( 0.371 8.984 -2.015) 9.215 4.351 ( -3.448 9.271 -0.688) 9.916 4.429 ( -7.409 15.996 -3.776) 18.028 4.816 ( 0.556 -2.821 -4.308) 5.179 4.926 ( -4.645 -4.979 -5.042) 8.472 5.308 ( 4.155 -2.343 -3.592) 5.972 5.469 ( -2.413 -4.274 -0.057) 4.909 5.785 ( 17.934 -17.888 -8.795) 26.814 6.060 ( 0.713 -20.456 -13.026) 24.261 8.400 ( 0.755 14.215 -12.726) 19.094 8.436 ( -0.559 11.855 -15.950) 19.881 8.671 ( 0.231 -6.436 -4.684) 7.964 8.691 ( -0.440 -5.447 -7.799) 9.523 8.958 ( 0.977 3.183 -4.201) 5.360 9.003 ( -0.720 2.013 -3.816) 4.374 9.298 ( 1.735 9.697 16.512) 19.228 9.383 ( -1.432 -2.504 8.186) 8.679 9.645 ( 2.183 -2.911 12.901) 13.404 9.753 ( -0.893 -1.429 3.167) 3.588 9.851 ( -0.050 -6.321 1.004) 6.400 9.925 ( -3.359 5.227 4.311) 7.563 10.305 ( 0.857 10.595 2.919) 11.023 10.548 ( -12.844 2.771 6.842) 14.814 10.906 ( 1.262 -0.869 2.614) 3.030 11.006 ( -5.915 -6.222 20.154) 21.906 11.491 ( 1.932 -6.330 -4.019) 7.743 11.532 ( -0.642 -4.472 -4.726) 6.538 11.795 ( 3.540 -3.393 6.421) 8.079 11.882 ( -1.158 -1.953 5.189) 5.664 12.432 ( -0.216 -0.187 5.317) 5.325 12.445 ( -0.463 -0.211 2.461) 2.513 13.449 ( 6.204 -9.948 -3.008) 12.104 13.617 ( -1.859 -13.436 -7.080) 15.301 16.113 ( 7.391 15.549 -0.375) 17.220 16.562 ( -7.111 11.427 -2.549) 13.698 16.955 ( 0.490 39.326 -7.010) 39.949 17.323 ( -26.314 77.356 -44.978) 93.271 20.999 ( 0.765 -23.113 4.185) 23.502 21.013 ( 0.660 -22.696 1.283) 22.742 21.239 ( -0.289 -22.881 4.776) 23.376 21.401 ( -10.486 -26.013 11.921) 30.475 22.008 ( 2.394 18.925 7.030) 20.330 22.192 ( -2.621 25.417 6.499) 26.366 22.341 ( -1.027 25.797 5.260) 26.348 22.408 ( -11.035 16.544 14.818) 24.800 23.253 ( 6.218 -2.024 -2.015) 6.842 23.416 ( -2.580 0.302 -2.190) 3.397 23.839 ( 1.106 -0.452 -4.569) 4.723 23.886 ( -0.829 0.868 -4.357) 4.519 104.720 ( 1.394 -0.487 0.223) 1.493 104.797 ( -0.691 -0.883 -0.264) 1.152 104.939 ( 4.750 -4.950 -0.991) 6.931 105.031 ( -0.142 -2.177 -0.947) 2.379 106.770 ( 0.660 -2.580 -0.145) 2.667 106.797 ( -0.036 -2.851 -0.271) 2.864 106.914 ( 10.049 -7.287 -4.045) 13.055 107.133 ( -1.545 -6.523 -3.770) 7.691 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -11.240 8.990 15.572) 21.205 1.040 ( 11.240 8.990 15.572) 21.205 1.294 ( -19.684 7.827 11.798) 24.246 1.294 ( 19.684 7.827 11.798) 24.246 1.866 ( -15.166 24.515 8.852) 30.155 1.866 ( 15.166 24.515 8.852) 30.155 2.946 ( -5.067 0.110 8.122) 9.574 2.946 ( 5.067 0.110 8.122) 9.574 3.142 ( -2.157 1.380 0.825) 2.690 3.142 ( 2.157 1.380 0.825) 2.690 3.288 ( -2.892 14.619 -4.035) 15.439 3.288 ( 2.892 14.619 -4.035) 15.439 4.130 ( -0.907 2.292 -2.875) 3.787 4.130 ( 0.907 2.292 -2.875) 3.787 4.189 ( -3.790 8.559 -3.581) 10.022 4.189 ( 3.790 8.559 -3.581) 10.022 4.353 ( -2.465 8.712 -0.134) 9.055 4.353 ( 2.465 8.712 -0.134) 9.055 4.849 ( -2.735 -3.794 -4.761) 6.674 4.849 ( 2.735 -3.794 -4.761) 6.674 5.398 ( -4.296 -3.431 -2.409) 6.002 5.398 ( 4.296 -3.431 -2.409) 6.002 6.024 ( -5.764 -22.503 -13.515) 26.875 6.024 ( 5.764 -22.503 -13.515) 26.875 8.419 ( -1.017 13.209 -14.499) 19.641 8.419 ( 1.017 13.209 -14.499) 19.641 8.680 ( -0.577 -6.002 -5.828) 8.386 8.680 ( 0.577 -6.002 -5.828) 8.386 8.982 ( -1.289 2.702 -4.267) 5.213 8.982 ( 1.289 2.702 -4.267) 5.213 9.343 ( -2.441 4.088 12.977) 13.823 9.343 ( 2.441 4.088 12.977) 13.823 9.708 ( -3.534 1.272 10.984) 11.608 9.708 ( 3.534 1.272 10.984) 11.608 9.863 ( -1.731 -3.123 3.930) 5.310 9.863 ( 1.731 -3.123 3.930) 5.310 10.358 ( -5.286 9.528 7.315) 13.124 10.358 ( 5.286 9.528 7.315) 13.124 10.938 ( -2.019 -1.871 7.390) 7.886 10.938 ( 2.019 -1.871 7.390) 7.886 11.517 ( -0.894 -5.644 -4.621) 7.350 11.517 ( 0.894 -5.644 -4.621) 7.350 11.850 ( -2.058 -3.657 5.280) 6.745 11.850 ( 2.058 -3.657 5.280) 6.745 12.435 ( -0.435 -0.095 3.604) 3.631 12.435 ( 0.435 -0.095 3.604) 3.631 13.558 ( -4.173 -13.690 -5.613) 15.373 13.558 ( 4.173 -13.690 -5.613) 15.373 16.330 ( -13.481 19.723 -3.493) 24.144 16.330 ( 13.481 19.723 -3.493) 24.144 17.006 ( -6.269 50.064 -12.821) 52.058 17.006 ( 6.269 50.064 -12.821) 52.058 21.016 ( -0.564 -23.231 3.036) 23.435 21.016 ( 0.564 -23.231 3.036) 23.435 21.259 ( -3.249 -22.124 9.052) 24.124 21.259 ( 3.249 -22.124 9.052) 24.124 22.089 ( -5.448 20.521 8.466) 22.858 22.089 ( 5.448 20.521 8.466) 22.858 22.332 ( -0.929 23.722 5.280) 24.320 22.332 ( 0.929 23.722 5.280) 24.320 23.349 ( -3.948 -0.634 -2.261) 4.594 23.349 ( 3.948 -0.634 -2.261) 4.594 23.865 ( -1.283 0.277 -4.429) 4.619 23.865 ( 1.283 0.277 -4.429) 4.619 104.760 ( -2.296 -0.801 0.278) 2.448 104.760 ( 2.296 -0.801 0.278) 2.448 105.010 ( -2.135 -3.341 -1.879) 4.388 105.010 ( 2.135 -3.341 -1.879) 4.388 106.785 ( -0.792 -2.668 -0.027) 2.783 106.785 ( 0.792 -2.668 -0.027) 2.783 107.071 ( -5.077 -8.054 -5.131) 10.816 107.071 ( 5.077 -8.054 -5.131) 10.816 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 21.127 2.728) 21.303 1.248 ( 0.000 27.416 0.456) 27.420 1.591 ( 0.000 17.584 12.453) 21.547 1.908 ( 0.000 -10.402 1.725) 10.544 2.325 ( 0.000 39.943 13.560) 42.182 2.422 ( 0.000 25.173 8.783) 26.661 2.854 ( 0.000 6.006 6.937) 9.176 3.002 ( 0.000 2.641 1.325) 2.955 3.143 ( 0.000 -0.500 5.500) 5.523 3.295 ( 0.000 6.239 0.669) 6.275 3.619 ( 0.000 22.730 -0.990) 22.751 3.707 ( 0.000 20.403 -5.623) 21.164 4.005 ( 0.000 -3.418 -5.839) 6.766 4.094 ( 0.000 -3.773 -3.818) 5.368 4.432 ( 0.000 9.868 -0.041) 9.868 4.450 ( 0.000 14.768 -3.332) 15.139 4.569 ( 0.000 10.626 0.106) 10.626 4.718 ( 0.000 -1.800 -2.841) 3.363 4.843 ( 0.000 -5.920 -2.883) 6.585 4.898 ( 0.000 6.372 -13.065) 14.536 5.252 ( 0.000 -2.074 -0.823) 2.232 5.309 ( 0.000 -6.014 2.185) 6.399 5.420 ( 0.000 -5.104 4.543) 6.833 5.665 ( 0.000 -16.513 -5.309) 17.345 8.475 ( 0.000 -10.316 -8.333) 13.261 8.512 ( 0.000 -8.555 -8.659) 12.172 8.616 ( 0.000 5.810 -12.507) 13.791 8.620 ( 0.000 4.133 -16.661) 17.167 9.019 ( 0.000 2.301 1.966) 3.026 9.023 ( 0.000 -2.384 3.323) 4.090 9.249 ( 0.000 -7.543 4.040) 8.557 9.290 ( 0.000 -5.351 2.495) 5.903 9.646 ( 0.000 -5.849 -0.428) 5.865 9.672 ( 0.000 -4.932 -0.330) 4.943 9.903 ( 0.000 20.614 14.105) 24.978 10.163 ( 0.000 9.425 1.382) 9.525 10.513 ( 0.000 9.146 1.048) 9.206 10.602 ( 0.000 -5.255 8.756) 10.212 10.880 ( 0.000 -0.433 -0.854) 0.958 10.905 ( 0.000 -3.314 5.593) 6.501 11.387 ( 0.000 -5.141 -4.488) 6.824 11.432 ( 0.000 -6.214 -6.339) 8.877 11.809 ( 0.000 6.185 11.639) 13.180 11.910 ( 0.000 2.792 11.248) 11.589 12.427 ( 0.000 -0.594 3.789) 3.836 12.437 ( 0.000 -1.091 1.247) 1.657 13.261 ( 0.000 -6.082 -0.477) 6.100 13.362 ( 0.000 -12.366 -3.718) 12.912 16.356 ( 0.000 16.880 1.056) 16.913 16.870 ( 0.000 14.479 0.999) 14.513 17.831 ( 0.000 42.716 -12.018) 44.374 18.760 ( 0.000 27.196 -58.285) 64.318 20.536 ( 0.000 -19.974 0.453) 19.980 20.580 ( 0.000 -18.054 -0.618) 18.065 20.797 ( 0.000 -19.148 1.464) 19.204 20.956 ( 0.000 -25.836 5.820) 26.483 22.330 ( 0.000 14.021 7.764) 16.027 22.667 ( 0.000 -2.297 19.263) 19.399 22.755 ( 0.000 25.442 4.055) 25.763 22.838 ( 0.000 17.620 2.876) 17.853 23.200 ( 0.000 9.133 1.433) 9.245 23.550 ( 0.000 9.305 -0.661) 9.329 23.803 ( 0.000 -1.158 -2.816) 3.045 23.946 ( 0.000 3.986 -2.627) 4.774 104.708 ( 0.000 -0.007 -0.043) 0.044 104.766 ( 0.000 -0.245 -0.032) 0.247 104.818 ( 0.000 -2.346 2.224) 3.233 104.987 ( 0.000 -2.537 -0.575) 2.601 106.688 ( 0.000 -2.851 0.206) 2.859 106.712 ( 0.000 -3.557 -0.479) 3.589 106.743 ( 0.000 -4.064 0.963) 4.176 106.987 ( 0.000 -8.855 -2.081) 9.096 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 7.178 16.483 3.010) 18.228 1.326 ( 6.229 23.666 2.547) 24.604 1.523 ( -6.709 16.058 10.380) 20.264 1.735 ( -12.946 -0.397 6.438) 14.464 2.378 ( 4.729 36.771 10.797) 38.614 2.486 ( 2.936 23.421 6.320) 24.436 2.906 ( 4.421 5.352 6.991) 9.852 3.009 ( 0.336 3.645 3.086) 4.788 3.133 ( -0.222 -0.068 3.438) 3.445 3.263 ( -3.329 6.211 2.344) 7.427 3.634 ( 1.829 22.338 -2.917) 22.602 3.710 ( -0.207 20.669 -5.152) 21.302 4.027 ( 1.969 -3.791 -5.838) 7.234 4.089 ( -0.575 -3.964 -4.349) 5.912 4.413 ( -0.016 12.030 -0.646) 12.047 4.488 ( 1.528 12.287 -2.089) 12.556 4.552 ( -0.946 10.973 0.460) 11.023 4.710 ( -2.265 3.800 -2.271) 4.972 4.773 ( -5.362 2.262 -6.277) 8.560 4.818 ( -4.174 -1.718 -2.704) 5.262 5.247 ( 2.168 -3.360 -1.532) 4.282 5.352 ( -1.048 -6.507 0.993) 6.666 5.500 ( 7.494 -10.372 -1.067) 12.840 5.664 ( -0.496 -16.539 -4.974) 17.278 8.483 ( 0.765 -10.298 -8.630) 13.458 8.511 ( -0.217 -9.218 -8.807) 12.751 8.606 ( -0.413 5.857 -13.990) 15.172 8.618 ( -0.427 4.400 -14.267) 14.936 9.020 ( 0.277 0.668 2.488) 2.591 9.028 ( 0.218 -0.787 2.843) 2.958 9.254 ( 0.501 -7.059 3.713) 7.992 9.284 ( -0.615 -5.448 2.552) 6.048 9.649 ( 0.294 -5.755 -0.459) 5.781 9.668 ( -0.401 -5.336 -0.504) 5.374 9.946 ( 4.102 19.419 13.333) 23.910 10.135 ( -2.900 10.841 3.992) 11.911 10.513 ( 0.183 8.575 2.190) 8.852 10.574 ( -2.361 -0.806 7.885) 8.271 10.884 ( 0.435 -0.749 -0.344) 0.932 10.902 ( -0.268 -2.559 3.981) 4.740 11.383 ( -0.231 -5.384 -4.173) 6.816 11.412 ( -1.578 -6.273 -5.148) 8.267 11.821 ( 1.132 5.221 10.874) 12.116 11.890 ( -1.752 3.083 10.812) 11.378 12.426 ( -0.040 -0.560 3.308) 3.355 12.434 ( -0.278 -0.951 1.628) 1.906 13.279 ( 1.566 -7.494 -0.933) 7.712 13.349 ( -1.286 -11.749 -3.172) 12.238 16.451 ( 8.860 16.646 0.330) 18.860 16.824 ( -4.951 14.384 0.378) 15.217 17.874 ( 4.874 43.667 -14.129) 46.154 18.491 ( -22.474 36.292 -44.451) 61.629 20.546 ( 0.952 -19.907 0.900) 19.951 20.583 ( 0.009 -18.355 -0.438) 18.360 20.797 ( 0.105 -19.271 2.163) 19.392 20.887 ( -4.995 -22.845 6.619) 24.304 22.352 ( 2.322 13.221 8.374) 15.821 22.557 ( -7.612 5.924 15.341) 18.121 22.781 ( 1.671 23.024 4.572) 23.533 22.834 ( -0.564 19.133 3.184) 19.404 23.269 ( 5.438 5.917 0.683) 8.066 23.494 ( -4.778 7.269 -0.928) 8.748 23.835 ( 2.574 0.556 -2.573) 3.682 23.929 ( -1.600 3.558 -2.465) 4.614 104.712 ( 0.863 -0.240 0.326) 0.953 104.775 ( -0.993 -1.078 0.173) 1.476 104.857 ( 4.252 -2.880 0.466) 5.156 104.977 ( -1.065 -2.893 -0.690) 3.159 106.702 ( 0.606 -3.703 0.071) 3.753 106.721 ( -0.007 -4.199 0.004) 4.199 106.786 ( 5.053 -5.307 -0.512) 7.346 106.966 ( -2.187 -8.875 -2.140) 9.388 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -12.739 9.857 3.019) 16.387 1.269 ( 12.739 9.857 3.019) 16.387 1.515 ( -8.374 16.725 9.909) 21.167 1.515 ( 8.374 16.725 9.909) 21.167 2.475 ( -3.720 29.127 6.722) 30.123 2.475 ( 3.720 29.127 6.722) 30.123 2.988 ( -2.819 3.703 5.713) 7.369 2.988 ( 2.819 3.703 5.713) 7.369 3.175 ( -4.392 4.150 2.767) 6.646 3.175 ( 4.392 4.150 2.767) 6.646 3.684 ( -2.394 21.435 -4.747) 22.084 3.684 ( 2.394 21.435 -4.747) 22.084 4.067 ( -1.670 -4.207 -5.437) 7.074 4.067 ( 1.670 -4.207 -5.437) 7.074 4.452 ( -3.544 11.570 -0.201) 12.102 4.452 ( 3.544 11.570 -0.201) 12.102 4.598 ( -5.044 13.651 -0.460) 14.561 4.598 ( 5.044 13.651 -0.460) 14.561 4.761 ( -1.692 -3.608 -3.512) 5.312 4.761 ( 1.692 -3.608 -3.512) 5.312 5.305 ( -2.990 -5.180 -0.618) 6.012 5.305 ( 2.990 -5.180 -0.618) 6.012 5.623 ( -4.037 -15.605 -4.409) 16.711 5.623 ( 4.037 -15.605 -4.409) 16.711 8.500 ( -0.810 -10.069 -9.032) 13.550 8.500 ( 0.810 -10.069 -9.032) 13.550 8.607 ( -0.469 5.283 -13.583) 14.582 8.607 ( 0.469 5.283 -13.583) 14.582 9.027 ( -0.277 -0.102 2.694) 2.711 9.027 ( 0.277 -0.102 2.694) 2.711 9.268 ( -0.872 -6.047 2.992) 6.803 9.268 ( 0.872 -6.047 2.992) 6.803 9.658 ( -0.547 -5.673 -0.570) 5.728 9.658 ( 0.547 -5.673 -0.570) 5.728 10.048 ( -5.372 15.332 9.789) 18.967 10.048 ( 5.372 15.332 9.789) 18.967 10.530 ( -1.638 5.773 4.891) 7.742 10.530 ( 1.638 5.773 4.891) 7.742 10.894 ( -0.493 -1.481 1.316) 2.041 10.894 ( 0.493 -1.481 1.316) 2.041 11.386 ( -0.752 -6.149 -4.004) 7.376 11.386 ( 0.752 -6.149 -4.004) 7.376 11.852 ( -1.832 3.853 10.313) 11.161 11.852 ( 1.832 3.853 10.313) 11.161 12.428 ( -0.266 -0.687 2.421) 2.530 12.428 ( 0.266 -0.687 2.421) 2.530 13.315 ( -1.909 -9.981 -2.005) 10.358 13.315 ( 1.909 -9.981 -2.005) 10.358 16.663 ( -10.657 15.310 -0.467) 18.659 16.663 ( 10.657 15.310 -0.467) 18.659 18.071 ( -15.918 44.358 -23.611) 52.711 18.071 ( 15.918 44.358 -23.611) 52.711 20.570 ( -1.195 -19.312 0.763) 19.364 20.570 ( 1.195 -19.312 0.763) 19.364 20.814 ( -1.983 -19.976 4.244) 20.517 20.814 ( 1.983 -19.976 4.244) 20.517 22.426 ( -5.085 10.940 10.762) 16.167 22.426 ( 5.085 10.940 10.762) 16.167 22.814 ( -1.416 21.473 3.887) 21.868 22.814 ( 1.416 21.473 3.887) 21.868 23.384 ( -5.809 5.229 -0.556) 7.836 23.384 ( 5.809 5.229 -0.556) 7.836 23.887 ( -2.451 2.398 -2.403) 4.187 23.887 ( 2.451 2.398 -2.403) 4.187 104.742 ( -1.889 -0.783 0.450) 2.094 104.742 ( 1.889 -0.783 0.450) 2.094 104.937 ( -3.093 -3.410 -0.781) 4.670 104.937 ( 3.093 -3.410 -0.781) 4.670 106.714 ( -0.554 -3.984 0.156) 4.026 106.714 ( 0.554 -3.984 0.156) 4.026 106.896 ( -4.841 -8.217 -1.949) 9.734 106.896 ( 4.841 -8.217 -1.949) 9.734 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 19.499 0.495) 19.505 1.698 ( 0.000 -4.818 2.648) 5.498 1.837 ( 0.000 24.353 -0.890) 24.369 2.005 ( 0.000 21.752 6.697) 22.760 2.771 ( 0.000 6.893 2.287) 7.263 2.792 ( 0.000 2.313 -1.971) 3.039 2.994 ( 0.000 7.029 2.280) 7.389 3.176 ( 0.000 4.836 5.641) 7.430 3.373 ( 0.000 34.150 11.438) 36.015 3.541 ( 0.000 17.653 4.626) 18.249 3.923 ( 0.000 -4.361 -4.974) 6.616 3.977 ( 0.000 -2.251 -6.531) 6.908 4.090 ( 0.000 21.741 -1.707) 21.808 4.169 ( 0.000 17.644 -4.083) 18.110 4.561 ( 0.000 0.988 -1.733) 1.995 4.582 ( 0.000 -4.872 -7.016) 8.542 4.794 ( 0.000 10.005 -0.188) 10.007 4.801 ( 0.000 12.036 -0.092) 12.036 4.842 ( 0.000 7.830 1.072) 7.903 4.996 ( 0.000 3.195 -9.598) 10.116 5.177 ( 0.000 -6.164 2.770) 6.758 5.202 ( 0.000 -2.866 -1.205) 3.109 5.344 ( 0.000 -2.147 5.101) 5.535 5.374 ( 0.000 -11.229 -1.593) 11.341 8.246 ( 0.000 -10.826 -6.953) 12.867 8.300 ( 0.000 -10.430 -9.333) 13.996 8.645 ( 0.000 -5.601 2.006) 5.949 8.674 ( 0.000 -1.844 -1.844) 2.608 8.916 ( 0.000 -2.404 -3.923) 4.601 8.970 ( 0.000 -3.571 -1.236) 3.779 9.221 ( 0.000 4.026 -2.189) 4.583 9.279 ( 0.000 2.167 -1.958) 2.921 9.557 ( 0.000 -2.380 -0.980) 2.574 9.576 ( 0.000 -2.487 -0.538) 2.545 10.269 ( 0.000 11.127 9.097) 14.373 10.291 ( 0.000 1.617 11.091) 11.208 10.504 ( 0.000 -3.684 2.661) 4.545 10.643 ( 0.000 2.384 2.431) 3.405 10.900 ( 0.000 1.554 -3.818) 4.122 10.912 ( 0.000 4.211 -9.992) 10.843 11.256 ( 0.000 -6.295 -4.276) 7.610 11.306 ( 0.000 -4.984 -10.694) 11.798 11.982 ( 0.000 9.793 15.640) 18.453 12.007 ( 0.000 6.192 16.371) 17.503 12.401 ( 0.000 -2.340 -1.090) 2.581 12.405 ( 0.000 -1.564 0.913) 1.811 13.128 ( 0.000 -6.507 0.320) 6.514 13.137 ( 0.000 -9.307 -1.031) 9.364 16.709 ( 0.000 17.121 2.505) 17.303 17.196 ( 0.000 16.424 2.844) 16.668 18.576 ( 0.000 26.333 -13.753) 29.708 19.074 ( 0.000 5.393 -28.890) 29.389 20.200 ( 0.000 -11.406 -5.963) 12.870 20.266 ( 0.000 -12.097 -1.926) 12.249 20.456 ( 0.000 -13.752 -0.905) 13.782 20.496 ( 0.000 -18.233 0.737) 18.248 22.552 ( 0.000 7.224 7.452) 10.378 22.615 ( 0.000 -1.576 12.306) 12.406 23.006 ( 0.000 2.772 -0.919) 2.921 23.226 ( 0.000 16.631 1.813) 16.730 23.515 ( 0.000 17.427 1.015) 17.457 23.795 ( 0.000 13.402 2.090) 13.564 23.819 ( 0.000 4.984 4.129) 6.472 24.065 ( 0.000 7.378 0.776) 7.419 104.710 ( 0.000 0.151 -0.099) 0.181 104.760 ( 0.000 -0.307 -0.068) 0.315 104.781 ( 0.000 -1.287 1.516) 1.989 104.928 ( 0.000 -2.983 -0.428) 3.013 106.622 ( 0.000 -3.349 0.134) 3.351 106.629 ( 0.000 -4.175 -0.128) 4.177 106.659 ( 0.000 -3.994 0.555) 4.032 106.801 ( 0.000 -8.688 -1.036) 8.749 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.422 17.202 0.522) 17.215 1.605 ( -7.599 0.070 2.801) 8.099 1.874 ( 3.249 24.634 1.029) 24.869 1.996 ( -1.425 21.451 6.756) 22.535 2.801 ( 2.211 5.026 0.774) 5.545 2.809 ( 1.349 2.538 -1.827) 3.406 3.025 ( 2.709 6.430 2.582) 7.440 3.146 ( -2.624 5.024 5.033) 7.580 3.406 ( 3.224 31.681 10.139) 33.420 3.538 ( -0.950 20.462 5.745) 21.275 3.935 ( 1.073 -4.272 -5.082) 6.725 3.972 ( -0.476 -2.593 -6.262) 6.794 4.096 ( 1.113 20.067 -3.250) 20.359 4.169 ( -0.485 18.156 -4.153) 18.632 4.555 ( 0.014 -0.204 -2.566) 2.575 4.587 ( -0.115 -3.702 -4.620) 5.922 4.776 ( -1.058 9.134 -0.381) 9.203 4.806 ( -1.874 8.836 -1.178) 9.109 4.827 ( 1.519 11.227 -0.113) 11.329 4.969 ( -3.136 7.497 -3.852) 8.994 5.169 ( 0.772 -4.178 1.918) 4.661 5.235 ( 0.140 -3.899 1.537) 4.194 5.318 ( 0.463 -8.085 -1.044) 8.165 5.391 ( 0.022 -9.153 -0.606) 9.173 8.255 ( 0.886 -10.798 -7.346) 13.090 8.294 ( -0.571 -10.519 -9.077) 13.905 8.644 ( -0.010 -4.870 1.423) 5.074 8.664 ( -0.814 -2.244 -1.218) 2.680 8.923 ( 0.687 -2.877 -3.316) 4.444 8.962 ( -0.829 -3.617 -1.488) 3.998 9.234 ( 1.158 3.908 -2.044) 4.560 9.274 ( -0.472 2.546 -1.912) 3.218 9.559 ( 0.226 -2.407 -1.057) 2.639 9.573 ( -0.300 -2.472 -0.749) 2.600 10.273 ( 0.397 9.223 9.152) 12.999 10.288 ( -0.217 2.777 10.705) 11.061 10.524 ( 1.864 -2.947 2.860) 4.510 10.622 ( -1.961 1.247 2.839) 3.669 10.906 ( 0.489 2.106 -4.910) 5.365 10.914 ( 0.168 3.961 -9.317) 10.126 11.257 ( 0.246 -5.572 -5.202) 7.626 11.295 ( -1.040 -4.592 -9.692) 10.776 11.982 ( 0.092 9.385 15.837) 18.409 12.001 ( -0.585 7.025 16.387) 17.839 12.401 ( 0.003 -2.113 -0.691) 2.223 12.404 ( -0.105 -1.664 0.541) 1.753 13.128 ( 0.063 -7.002 0.090) 7.003 13.135 ( -0.180 -8.817 -0.711) 8.848 16.794 ( 7.856 16.510 2.116) 18.406 17.142 ( -5.445 15.889 2.371) 16.962 18.614 ( 3.994 25.353 -14.955) 29.705 18.960 ( -10.018 11.083 -25.750) 29.771 20.205 ( 0.717 -12.122 -4.095) 12.815 20.263 ( -0.778 -12.374 -2.354) 12.620 20.449 ( -0.370 -14.349 0.046) 14.354 20.479 ( -1.304 -15.818 -0.001) 15.872 22.547 ( -0.148 5.798 7.784) 9.707 22.593 ( -1.855 0.258 11.177) 11.333 23.055 ( 4.287 4.518 -0.823) 6.283 23.209 ( -1.904 14.383 1.098) 14.550 23.534 ( 1.950 16.798 1.608) 16.987 23.695 ( -5.499 12.079 3.324) 13.681 23.907 ( 4.435 7.547 2.498) 9.103 24.043 ( -2.121 7.406 1.087) 7.780 104.711 ( 0.469 0.140 0.246) 0.548 104.756 ( -0.989 -0.689 0.414) 1.274 104.812 ( 2.994 -1.684 0.380) 3.456 104.915 ( -1.340 -3.003 -0.436) 3.317 106.624 ( 0.185 -3.717 0.089) 3.722 106.632 ( 0.019 -4.229 0.204) 4.234 106.682 ( 2.348 -4.793 -0.025) 5.338 106.785 ( -1.607 -8.280 -0.970) 8.490 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -5.280 9.782 1.708) 11.247 1.463 ( 5.280 9.782 1.708) 11.247 1.945 ( -3.360 22.973 4.838) 23.716 1.945 ( 3.360 22.973 4.838) 23.716 2.827 ( -0.037 3.185 -1.097) 3.369 2.827 ( 0.037 3.185 -1.097) 3.369 3.086 ( -3.158 5.593 3.704) 7.415 3.086 ( 3.158 5.593 3.704) 7.415 3.486 ( -3.983 26.182 7.754) 27.595 3.486 ( 3.983 26.182 7.754) 27.595 3.958 ( -0.972 -3.569 -5.558) 6.676 3.958 ( 0.972 -3.569 -5.558) 6.676 4.138 ( -2.464 18.446 -4.662) 19.185 4.138 ( 2.464 18.446 -4.662) 19.185 4.571 ( -1.281 -1.851 -2.500) 3.364 4.571 ( 1.281 -1.851 -2.500) 3.364 4.771 ( -0.900 8.012 -1.920) 8.288 4.771 ( 0.900 8.012 -1.920) 8.288 4.888 ( -4.097 11.960 0.286) 12.646 4.888 ( 4.097 11.960 0.286) 12.646 5.201 ( -2.108 -4.366 2.100) 5.283 5.201 ( 2.108 -4.366 2.100) 5.283 5.364 ( -2.498 -9.613 -2.476) 10.236 5.364 ( 2.498 -9.613 -2.476) 10.236 8.277 ( -1.101 -10.690 -8.280) 13.566 8.277 ( 1.101 -10.690 -8.280) 13.566 8.649 ( -0.525 -3.403 0.129) 3.446 8.649 ( 0.525 -3.403 0.129) 3.446 8.941 ( -1.072 -3.486 -2.232) 4.275 8.941 ( 1.072 -3.486 -2.232) 4.275 9.258 ( -1.112 3.350 -1.878) 3.999 9.258 ( 1.112 3.350 -1.878) 3.999 9.565 ( -0.412 -2.447 -1.049) 2.694 9.565 ( 0.412 -2.447 -1.049) 2.694 10.282 ( -0.421 5.629 9.753) 11.269 10.282 ( 0.421 5.629 9.753) 11.269 10.572 ( -2.709 -1.047 3.141) 4.278 10.572 ( 2.709 -1.047 3.141) 4.278 10.914 ( -0.244 3.145 -7.289) 7.942 10.914 ( 0.244 3.145 -7.289) 7.942 11.271 ( -1.136 -4.485 -7.420) 8.744 11.271 ( 1.136 -4.485 -7.420) 8.744 11.988 ( -0.523 8.417 16.220) 18.281 11.988 ( 0.523 8.417 16.220) 18.281 12.402 ( -0.097 -1.829 -0.063) 1.832 12.402 ( 0.097 -1.829 -0.063) 1.832 13.131 ( -0.210 -7.914 -0.267) 7.921 13.131 ( 0.210 -7.914 -0.267) 7.921 16.984 ( -9.760 15.588 1.778) 18.477 16.984 ( 9.760 15.588 1.778) 18.477 18.748 ( -9.426 20.621 -19.231) 29.730 18.748 ( 9.426 20.621 -19.231) 29.730 20.232 ( -1.862 -12.786 -2.320) 13.128 20.232 ( 1.862 -12.786 -2.320) 13.128 20.455 ( -0.920 -14.221 -0.229) 14.253 20.455 ( 0.920 -14.221 -0.229) 14.253 22.558 ( -1.315 3.197 9.104) 9.738 22.558 ( 1.315 3.197 9.104) 9.738 23.147 ( -4.188 9.153 -0.208) 10.068 23.147 ( 4.188 9.153 -0.208) 10.068 23.595 ( -4.150 14.862 2.814) 15.685 23.595 ( 4.150 14.862 2.814) 15.685 23.986 ( -3.437 7.411 1.728) 8.350 23.986 ( 3.437 7.411 1.728) 8.350 104.731 ( -1.342 -0.275 0.462) 1.445 104.731 ( 1.342 -0.275 0.462) 1.445 104.874 ( -2.778 -2.714 -0.307) 3.896 104.874 ( 2.778 -2.714 -0.307) 3.896 106.629 ( -0.241 -4.020 0.213) 4.033 106.629 ( 0.241 -4.020 0.213) 4.033 106.739 ( -2.852 -6.888 -0.675) 7.486 106.739 ( 2.852 -6.888 -0.675) 7.486 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.000 -1.809 7.969) 8.171 1.782 ( 0.000 15.927 -0.674) 15.941 2.376 ( 0.000 24.942 -5.670) 25.578 2.470 ( 0.000 22.414 2.559) 22.559 2.740 ( 0.000 -4.239 -0.441) 4.262 2.758 ( 0.000 -6.204 -0.102) 6.205 3.155 ( 0.000 8.338 0.340) 8.344 3.299 ( 0.000 6.725 2.616) 7.216 3.822 ( 0.000 -5.230 -4.079) 6.633 3.883 ( 0.000 2.178 -0.307) 2.200 3.946 ( 0.000 10.110 -0.722) 10.136 4.093 ( 0.000 31.705 7.454) 32.569 4.383 ( 0.000 -6.899 -9.514) 11.752 4.420 ( 0.000 1.973 -8.475) 8.701 4.527 ( 0.000 13.649 -0.102) 13.650 4.631 ( 0.000 10.641 1.774) 10.788 4.966 ( 0.000 1.510 -1.124) 1.882 4.984 ( 0.000 7.714 2.030) 7.977 5.034 ( 0.000 7.258 -1.919) 7.508 5.078 ( 0.000 1.763 -3.702) 4.101 5.100 ( 0.000 3.704 3.203) 4.897 5.133 ( 0.000 -2.607 -1.054) 2.812 5.241 ( 0.000 -0.607 1.857) 1.953 5.320 ( 0.000 -0.585 3.561) 3.609 8.051 ( 0.000 -7.475 -3.848) 8.407 8.107 ( 0.000 -7.787 -6.241) 9.979 8.419 ( 0.000 -12.829 11.529) 17.248 8.512 ( 0.000 -11.292 10.504) 15.422 8.982 ( 0.000 6.380 -11.471) 13.126 9.003 ( 0.000 5.018 -12.136) 13.132 9.295 ( 0.000 -0.813 -6.591) 6.641 9.309 ( 0.000 3.407 -4.858) 5.934 9.563 ( 0.000 3.310 -0.944) 3.442 9.599 ( 0.000 4.213 2.191) 4.749 10.219 ( 0.000 -6.955 18.513) 19.776 10.350 ( 0.000 -2.065 11.958) 12.135 10.462 ( 0.000 -1.116 -5.768) 5.875 10.635 ( 0.000 -1.884 -3.024) 3.563 10.891 ( 0.000 -3.950 3.642) 5.373 10.929 ( 0.000 -5.709 2.229) 6.129 11.242 ( 0.000 6.934 -20.826) 21.950 11.293 ( 0.000 4.859 -20.758) 21.319 12.128 ( 0.000 3.613 14.616) 15.056 12.152 ( 0.000 3.573 13.735) 14.192 12.372 ( 0.000 1.825 0.176) 1.834 12.377 ( 0.000 0.131 0.367) 0.390 12.976 ( 0.000 -6.363 2.279) 6.759 12.999 ( 0.000 -5.874 2.437) 6.359 17.072 ( 0.000 18.088 4.269) 18.585 17.536 ( 0.000 16.147 4.285) 16.706 18.852 ( 0.000 0.602 -7.963) 7.986 19.028 ( 0.000 -8.658 -8.361) 12.036 20.078 ( 0.000 -6.175 -3.309) 7.006 20.082 ( 0.000 -1.542 -11.961) 12.060 20.221 ( 0.000 -7.736 -6.780) 10.286 20.226 ( 0.000 -8.620 -3.007) 9.129 22.599 ( 0.000 1.929 6.337) 6.624 22.680 ( 0.000 4.270 6.123) 7.465 23.025 ( 0.000 -0.446 -1.476) 1.542 23.357 ( 0.000 -2.305 -4.907) 5.421 23.875 ( 0.000 17.456 3.049) 17.720 24.043 ( 0.000 13.605 9.716) 16.718 24.071 ( 0.000 12.604 2.890) 12.931 24.237 ( 0.000 8.603 4.618) 9.764 104.715 ( 0.000 0.312 -0.065) 0.319 104.753 ( 0.000 -0.338 -0.066) 0.344 104.762 ( 0.000 -0.576 1.025) 1.175 104.867 ( 0.000 -2.804 -0.254) 2.816 106.547 ( 0.000 -3.600 0.105) 3.601 106.555 ( 0.000 -3.041 0.070) 3.042 106.580 ( 0.000 -3.536 0.218) 3.543 106.639 ( 0.000 -6.764 -0.364) 6.774 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 1.782 2.702 5.936) 6.761 1.748 ( -3.155 14.634 -0.115) 14.971 2.387 ( 1.329 23.633 -2.869) 23.844 2.465 ( -0.930 23.075 2.574) 23.237 2.752 ( 1.043 -5.224 -0.784) 5.385 2.764 ( 0.455 -6.418 -0.962) 6.505 3.175 ( 1.813 7.885 0.580) 8.112 3.272 ( -2.334 6.893 2.209) 7.605 3.833 ( 0.982 -4.650 -3.920) 6.161 3.880 ( -0.640 -1.730 -2.781) 3.337 3.981 ( 3.455 15.692 1.575) 16.144 4.093 ( -0.391 28.859 6.692) 29.627 4.373 ( -0.901 -5.766 -9.419) 11.081 4.390 ( -1.774 3.793 -6.929) 8.096 4.557 ( 2.034 10.646 -1.416) 10.930 4.622 ( -0.919 10.502 1.362) 10.630 4.945 ( -1.616 4.745 -0.962) 5.104 4.972 ( -2.073 5.754 -1.497) 6.297 5.019 ( 1.794 5.683 1.035) 6.049 5.102 ( 0.237 4.779 -1.255) 4.946 5.115 ( 1.463 -0.306 2.510) 2.921 5.173 ( 3.103 -1.424 -1.400) 3.690 5.214 ( -2.470 0.577 3.444) 4.277 5.295 ( -2.082 -0.658 1.481) 2.638 8.060 ( 0.812 -7.605 -4.169) 8.710 8.100 ( -0.697 -7.845 -5.869) 9.822 8.431 ( 1.139 -12.491 11.294) 16.878 8.495 ( -1.466 -11.440 10.602) 15.666 8.980 ( -0.046 6.135 -11.387) 12.935 8.996 ( -0.579 5.246 -11.794) 12.921 9.303 ( 0.618 -0.223 -6.348) 6.382 9.314 ( 0.279 2.753 -5.091) 5.794 9.567 ( 0.416 3.464 -0.596) 3.539 9.593 ( -0.528 4.118 1.668) 4.474 10.235 ( 1.529 -6.435 17.326) 18.545 10.325 ( -2.181 -3.099 11.966) 12.552 10.485 ( 2.051 -1.187 -4.381) 4.981 10.601 ( -2.920 -1.993 -2.900) 4.573 10.907 ( 1.202 -3.784 3.158) 5.073 10.930 ( 0.075 -5.179 2.311) 5.672 11.252 ( 0.842 6.651 -20.930) 21.977 11.287 ( -0.574 5.133 -20.809) 21.440 12.131 ( 0.301 3.707 14.565) 15.033 12.149 ( -0.335 3.620 13.910) 14.378 12.373 ( 0.107 1.584 0.248) 1.607 12.377 ( -0.044 0.392 0.398) 0.560 12.979 ( 0.279 -6.267 2.307) 6.684 12.995 ( -0.352 -5.929 2.422) 6.415 17.143 ( 6.692 17.393 4.025) 19.066 17.473 ( -6.085 15.913 3.995) 17.499 18.871 ( 1.937 0.033 -7.868) 8.103 18.996 ( -2.981 -6.470 -8.171) 10.840 20.060 ( -0.811 -3.483 -6.986) 7.848 20.078 ( -0.962 -5.032 -7.026) 8.696 20.220 ( 0.484 -6.796 -5.328) 8.649 20.236 ( 0.326 -8.312 -4.966) 9.688 22.600 ( 0.233 2.396 6.157) 6.611 22.652 ( -2.140 3.869 6.019) 7.469 23.089 ( 5.557 -0.629 -1.787) 5.871 23.317 ( -3.822 -1.999 -4.277) 6.074 23.891 ( 1.566 17.110 3.425) 17.520 23.992 ( -3.032 14.829 6.205) 16.358 24.121 ( 2.924 11.367 5.554) 12.985 24.220 ( -1.616 8.998 4.871) 10.359 104.716 ( 0.330 0.354 0.155) 0.508 104.747 ( -0.730 -0.221 0.379) 0.852 104.783 ( 1.873 -1.155 0.263) 2.216 104.856 ( -1.127 -2.654 -0.231) 2.893 106.548 ( 0.129 -3.510 0.121) 3.514 106.555 ( -0.078 -3.191 0.144) 3.195 106.590 ( 0.904 -4.066 0.047) 4.166 106.632 ( -0.727 -6.377 -0.324) 6.426 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -3.731 10.240 2.198) 11.118 1.674 ( 3.731 10.240 2.198) 11.118 2.428 ( -2.403 22.863 1.140) 23.018 2.428 ( 2.403 22.863 1.140) 23.018 2.768 ( -0.258 -6.231 -1.374) 6.386 2.768 ( 0.258 -6.231 -1.374) 6.386 3.220 ( -2.547 7.259 1.300) 7.802 3.220 ( 2.547 7.259 1.300) 7.802 3.858 ( -1.332 -3.551 -3.766) 5.345 3.858 ( 1.332 -3.551 -3.766) 5.345 4.057 ( -3.290 22.138 3.913) 22.720 4.057 ( 3.290 22.138 3.913) 22.720 4.366 ( -0.549 -0.183 -7.619) 7.641 4.366 ( 0.549 -0.183 -7.619) 7.641 4.595 ( -1.706 9.857 -0.364) 10.010 4.595 ( 1.706 9.857 -0.364) 10.010 4.934 ( -0.851 5.748 -1.647) 6.040 4.934 ( 0.851 5.748 -1.647) 6.040 5.079 ( -2.776 5.217 0.881) 5.975 5.079 ( 2.776 5.217 0.881) 5.975 5.149 ( -2.315 -0.538 3.418) 4.163 5.149 ( 2.315 -0.538 3.418) 4.163 5.244 ( -2.985 -0.335 -0.732) 3.092 5.244 ( 2.985 -0.335 -0.732) 3.092 8.081 ( -1.123 -7.815 -4.996) 9.344 8.081 ( 1.123 -7.815 -4.996) 9.344 8.461 ( -1.728 -11.872 10.884) 16.199 8.461 ( 1.728 -11.872 10.884) 16.199 8.984 ( -0.485 5.678 -11.388) 12.735 8.984 ( 0.485 5.678 -11.388) 12.735 9.314 ( -0.341 1.228 -5.713) 5.854 9.314 ( 0.341 1.228 -5.713) 5.854 9.580 ( -0.744 3.826 0.459) 3.925 9.580 ( 0.744 3.826 0.459) 3.925 10.276 ( -2.400 -4.971 14.398) 15.420 10.276 ( 2.400 -4.971 14.398) 15.420 10.537 ( -3.081 -1.680 -3.290) 4.811 10.537 ( 3.081 -1.680 -3.290) 4.811 10.926 ( -0.591 -4.176 2.588) 4.948 10.926 ( 0.591 -4.176 2.588) 4.948 11.271 ( -0.988 5.878 -20.939) 21.771 11.271 ( 0.988 5.878 -20.939) 21.771 12.140 ( -0.513 3.736 14.301) 14.790 12.140 ( 0.513 3.736 14.301) 14.790 12.375 ( -0.103 0.997 0.374) 1.070 12.375 ( 0.103 0.997 0.374) 1.070 12.987 ( -0.465 -6.078 2.371) 6.540 12.987 ( 0.465 -6.078 2.371) 6.540 17.312 ( -9.179 16.189 3.740) 18.982 17.312 ( 9.179 16.189 3.740) 18.982 18.927 ( -3.417 -2.387 -7.859) 8.896 18.927 ( 3.417 -2.387 -7.859) 8.896 20.058 ( -0.642 -4.399 -6.502) 7.877 20.058 ( 0.642 -4.399 -6.502) 7.877 20.234 ( -0.561 -7.212 -5.292) 8.962 20.234 ( 0.561 -7.212 -5.292) 8.962 22.615 ( -1.337 3.198 5.990) 6.920 22.615 ( 1.337 3.198 5.990) 6.920 23.213 ( -6.181 -1.287 -2.916) 6.954 23.213 ( 6.181 -1.287 -2.916) 6.954 23.934 ( -2.629 16.176 4.537) 17.005 23.934 ( 2.629 16.176 4.537) 17.005 24.177 ( -2.554 9.992 5.384) 11.634 24.177 ( 2.554 9.992 5.384) 11.634 104.729 ( -0.899 0.128 0.351) 0.974 104.729 ( 0.899 0.128 0.351) 0.974 104.824 ( -1.990 -2.099 -0.105) 2.894 104.824 ( 1.990 -2.099 -0.105) 2.894 106.552 ( -0.182 -3.361 0.161) 3.370 106.552 ( 0.182 -3.361 0.161) 3.370 106.612 ( -1.176 -5.312 -0.188) 5.444 106.612 ( 1.176 -5.312 -0.188) 5.444 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 6.873 8.148) 10.660 2.071 ( 0.000 11.976 -1.366) 12.054 2.532 ( 0.000 -13.422 0.433) 13.429 2.596 ( 0.000 -5.108 -2.395) 5.642 2.913 ( 0.000 22.388 -3.970) 22.737 2.943 ( 0.000 21.499 -0.203) 21.500 3.328 ( 0.000 7.984 -0.430) 7.995 3.443 ( 0.000 6.985 -0.751) 7.025 3.711 ( 0.000 -5.418 -3.398) 6.395 3.817 ( 0.000 -4.236 -4.104) 5.898 4.044 ( 0.000 -6.817 -5.620) 8.835 4.113 ( 0.000 -14.822 -7.430) 16.580 4.493 ( 0.000 9.062 1.914) 9.262 4.655 ( 0.000 19.237 1.749) 19.316 4.806 ( 0.000 10.108 0.158) 10.109 4.854 ( 0.000 8.071 0.518) 8.087 4.983 ( 0.000 2.605 1.400) 2.957 5.068 ( 0.000 0.450 2.889) 2.923 5.078 ( 0.000 2.969 0.740) 3.060 5.113 ( 0.000 0.622 -0.609) 0.870 5.147 ( 0.000 4.219 -1.650) 4.530 5.228 ( 0.000 4.441 -0.729) 4.501 5.306 ( 0.000 -0.996 1.657) 1.933 5.319 ( 0.000 4.875 2.882) 5.663 7.949 ( 0.000 -2.242 0.439) 2.285 7.986 ( 0.000 -3.736 -1.790) 4.143 8.177 ( 0.000 -9.972 10.637) 14.580 8.275 ( 0.000 -10.881 10.450) 15.087 9.120 ( 0.000 5.562 -13.075) 14.209 9.131 ( 0.000 7.438 -12.127) 14.226 9.271 ( 0.000 -1.023 -9.912) 9.965 9.352 ( 0.000 0.929 -9.451) 9.497 9.680 ( 0.000 7.166 0.942) 7.227 9.705 ( 0.000 5.233 4.393) 6.832 10.060 ( 0.000 -7.603 15.931) 17.652 10.237 ( 0.000 -7.833 11.607) 14.002 10.445 ( 0.000 -0.251 -3.438) 3.447 10.586 ( 0.000 -2.720 -4.704) 5.434 10.763 ( 0.000 -8.315 5.839) 10.160 10.765 ( 0.000 -6.796 5.338) 8.642 11.446 ( 0.000 11.125 -22.991) 25.541 11.466 ( 0.000 10.355 -21.397) 23.771 12.089 ( 0.000 -7.133 -3.023) 7.747 12.090 ( 0.000 -6.468 -1.835) 6.723 12.462 ( 0.000 7.068 10.330) 12.516 12.500 ( 0.000 7.977 12.098) 14.491 12.865 ( 0.000 -4.638 6.583) 8.053 12.882 ( 0.000 -5.597 5.722) 8.004 17.464 ( 0.000 19.800 5.300) 20.497 17.862 ( 0.000 15.347 4.990) 16.138 18.681 ( 0.000 -14.836 0.110) 14.837 18.781 ( 0.000 -13.808 -0.342) 13.813 20.004 ( 0.000 -1.152 -5.105) 5.234 20.043 ( 0.000 -2.051 -11.065) 11.253 20.094 ( 0.000 -4.251 -4.676) 6.319 20.154 ( 0.000 -1.410 -11.181) 11.269 22.685 ( 0.000 6.009 1.521) 6.198 22.765 ( 0.000 4.460 3.675) 5.779 22.992 ( 0.000 -2.658 -1.644) 3.125 23.240 ( 0.000 -7.651 -4.804) 9.034 24.201 ( 0.000 13.285 4.903) 14.161 24.290 ( 0.000 9.404 8.566) 12.721 24.295 ( 0.000 8.566 3.388) 9.212 24.397 ( 0.000 6.238 6.979) 9.361 104.722 ( 0.000 0.413 0.019) 0.413 104.746 ( 0.000 -0.349 -0.018) 0.350 104.756 ( 0.000 -0.058 0.593) 0.595 104.815 ( 0.000 -2.156 -0.091) 2.158 106.484 ( 0.000 -2.341 0.158) 2.346 106.501 ( 0.000 -2.039 0.019) 2.039 106.517 ( 0.000 -2.513 0.064) 2.514 106.525 ( 0.000 -4.208 -0.020) 4.208 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 6.735 7.960 6.257) 12.161 2.020 ( -4.980 11.563 -0.474) 12.598 2.540 ( 0.844 -12.118 0.379) 12.154 2.588 ( -0.823 -6.971 -1.504) 7.179 2.915 ( 0.249 21.643 -3.279) 21.891 2.937 ( -0.595 21.859 -0.837) 21.883 3.342 ( 1.402 7.968 -0.662) 8.118 3.421 ( -1.860 7.351 -0.920) 7.638 3.731 ( 1.710 -5.087 -3.269) 6.284 3.804 ( -1.274 -4.310 -3.875) 5.934 4.059 ( 1.238 -9.001 -6.567) 11.211 4.105 ( -0.747 -14.237 -7.601) 16.157 4.524 ( 2.971 11.485 2.550) 12.135 4.647 ( -1.106 19.208 2.670) 19.424 4.792 ( -0.759 8.835 -0.962) 8.919 4.839 ( -1.607 7.362 0.440) 7.549 4.989 ( 0.548 2.954 1.105) 3.201 5.038 ( -1.842 1.452 1.696) 2.895 5.101 ( 1.755 3.097 1.079) 3.720 5.121 ( 0.617 1.347 -1.343) 2.000 5.153 ( 0.403 3.292 -0.471) 3.350 5.230 ( -1.542 2.402 2.277) 3.652 5.276 ( 0.354 2.724 0.713) 2.838 5.334 ( -0.103 3.084 1.792) 3.569 7.953 ( 0.411 -2.539 0.182) 2.578 7.980 ( -0.613 -3.612 -1.329) 3.897 8.191 ( 1.293 -10.108 10.468) 14.609 8.259 ( -1.466 -10.734 10.420) 15.031 9.118 ( -0.035 6.147 -12.718) 14.126 9.129 ( -0.296 7.214 -12.009) 14.012 9.287 ( 1.445 -0.813 -10.028) 10.164 9.345 ( -0.770 0.550 -9.655) 9.702 9.683 ( 0.322 6.853 1.471) 7.016 9.702 ( -0.340 5.602 3.731) 6.739 10.079 ( 1.867 -7.824 15.171) 17.172 10.200 ( -3.138 -7.890 11.679) 14.439 10.466 ( 1.815 -0.367 -2.858) 3.405 10.561 ( -2.186 -1.582 -4.054) 4.870 10.765 ( 0.738 -8.656 5.834) 10.464 10.781 ( 0.631 -7.338 4.813) 8.798 11.450 ( 0.391 10.994 -22.802) 25.316 11.464 ( -0.176 10.460 -21.664) 24.058 12.089 ( -0.013 -6.853 -2.487) 7.290 12.090 ( -0.015 -6.817 -2.343) 7.208 12.468 ( 0.566 7.211 10.619) 12.849 12.495 ( -0.475 7.845 11.868) 14.235 12.867 ( 0.225 -4.758 6.463) 8.029 12.879 ( -0.231 -5.441 5.854) 7.996 17.520 ( 5.312 19.038 5.137) 20.422 17.801 ( -5.690 15.837 4.875) 17.520 18.697 ( 1.478 -14.616 0.168) 14.692 18.768 ( -1.283 -13.852 -0.150) 13.912 20.004 ( 0.062 -0.925 -5.583) 5.659 20.027 ( -1.084 -1.416 -8.581) 8.764 20.111 ( 1.257 -4.129 -7.163) 8.363 20.149 ( -0.484 -2.034 -10.568) 10.773 22.689 ( 0.485 5.988 1.813) 6.275 22.741 ( -1.850 5.042 3.258) 6.282 23.042 ( 4.262 -3.665 -2.005) 5.968 23.212 ( -2.751 -7.082 -4.323) 8.741 24.208 ( 0.677 12.831 4.969) 13.777 24.257 ( -1.649 10.283 5.659) 11.852 24.328 ( 1.737 7.910 6.260) 10.235 24.387 ( -0.965 6.474 6.909) 9.517 104.725 ( 0.302 0.452 0.121) 0.557 104.746 ( -0.398 0.106 0.181) 0.450 104.763 ( 0.962 -0.790 0.256) 1.271 104.807 ( -0.772 -1.995 -0.072) 2.140 106.487 ( 0.245 -2.296 0.142) 2.314 106.499 ( -0.214 -2.089 0.048) 2.100 106.518 ( 0.129 -2.781 0.039) 2.784 106.524 ( -0.106 -3.983 -0.016) 3.985 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -8.134 10.108 2.403) 13.195 1.883 ( 8.134 10.108 2.403) 13.195 2.564 ( -1.404 -9.845 -0.097) 9.945 2.564 ( 1.404 -9.845 -0.097) 9.945 2.924 ( -0.599 21.553 -2.094) 21.663 2.924 ( 0.599 21.553 -2.094) 21.663 3.379 ( -2.134 7.857 -0.946) 8.196 3.379 ( 2.134 7.857 -0.946) 8.196 3.770 ( -2.011 -4.593 -3.438) 6.080 3.770 ( 2.011 -4.593 -3.438) 6.080 4.085 ( -1.224 -12.386 -7.602) 14.584 4.085 ( 1.224 -12.386 -7.602) 14.584 4.597 ( -3.691 16.368 3.314) 17.103 4.597 ( 3.691 16.368 3.314) 17.103 4.800 ( -1.665 7.300 -0.861) 7.537 4.800 ( 1.665 7.300 -0.861) 7.537 5.006 ( -1.234 2.901 1.023) 3.314 5.006 ( 1.234 2.901 1.023) 3.314 5.129 ( -0.272 1.871 -1.221) 2.251 5.129 ( 0.272 1.871 -1.221) 2.251 5.176 ( -2.498 2.693 2.797) 4.617 5.176 ( 2.498 2.693 2.797) 4.617 5.311 ( -1.926 3.260 1.015) 3.921 5.311 ( 1.926 3.260 1.015) 3.921 7.965 ( -0.743 -3.158 -0.490) 3.281 7.965 ( 0.743 -3.158 -0.490) 3.281 8.224 ( -1.818 -10.420 10.364) 14.808 8.224 ( 1.818 -10.420 10.364) 14.808 9.121 ( -0.341 6.848 -12.153) 13.954 9.121 ( 0.341 6.848 -12.153) 13.954 9.320 ( -1.625 -0.200 -9.977) 10.111 9.320 ( 1.625 -0.200 -9.977) 10.111 9.692 ( -0.577 6.244 2.557) 6.772 9.692 ( 0.577 6.244 2.557) 6.772 10.132 ( -3.295 -8.018 13.206) 15.797 10.132 ( 3.295 -8.018 13.206) 15.797 10.511 ( -2.565 -0.602 -3.000) 3.993 10.511 ( 2.565 -0.602 -3.000) 3.993 10.781 ( -0.583 -8.269 5.071) 9.718 10.781 ( 0.583 -8.269 5.071) 9.718 11.458 ( -0.391 10.714 -22.271) 24.717 11.458 ( 0.391 10.714 -22.271) 24.717 12.089 ( -0.041 -6.870 -2.401) 7.278 12.089 ( 0.041 -6.870 -2.401) 7.278 12.482 ( -0.753 7.533 11.274) 13.581 12.482 ( 0.753 7.533 11.274) 13.581 12.873 ( -0.331 -5.081 6.165) 7.996 12.873 ( 0.331 -5.081 6.165) 7.996 17.658 ( -7.778 17.308 4.873) 19.591 17.658 ( 7.778 17.308 4.873) 19.591 18.734 ( -1.948 -14.150 0.127) 14.284 18.734 ( 1.948 -14.150 0.127) 14.284 20.010 ( -0.562 -0.786 -6.693) 6.762 20.010 ( 0.562 -0.786 -6.693) 6.762 20.134 ( -1.004 -3.288 -9.190) 9.812 20.134 ( 1.004 -3.288 -9.190) 9.812 22.707 ( -1.337 5.760 2.518) 6.427 22.707 ( 1.337 5.760 2.518) 6.427 23.136 ( -4.590 -5.558 -3.149) 7.866 23.136 ( 4.590 -5.558 -3.149) 7.866 24.227 ( -1.269 11.672 5.194) 12.838 24.227 ( 1.269 11.672 5.194) 12.838 24.361 ( -1.529 7.078 6.684) 9.855 24.361 ( 1.529 7.078 6.684) 9.855 104.735 ( -0.629 0.361 0.227) 0.760 104.735 ( 0.629 0.361 0.227) 0.760 104.786 ( -1.241 -1.513 0.007) 1.957 104.786 ( 1.241 -1.513 0.007) 1.957 106.493 ( -0.338 -2.192 0.101) 2.220 106.493 ( 0.338 -2.192 0.101) 2.220 106.521 ( -0.179 -3.406 0.002) 3.411 106.521 ( 0.179 -3.406 0.002) 3.411 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 14.036 5.594) 15.110 2.188 ( 0.000 -13.158 0.959) 13.193 2.311 ( 0.000 5.703 0.510) 5.725 2.465 ( 0.000 -7.069 -1.062) 7.148 3.363 ( 0.000 20.264 -5.773) 21.071 3.369 ( 0.000 19.140 -3.614) 19.478 3.478 ( 0.000 6.612 -1.154) 6.712 3.577 ( 0.000 4.847 -4.674) 6.734 3.598 ( 0.000 -5.611 -2.507) 6.145 3.706 ( 0.000 -8.254 -3.515) 8.971 3.786 ( 0.000 -15.433 -3.972) 15.937 3.789 ( 0.000 -13.585 -6.696) 15.145 4.706 ( 0.000 9.568 3.882) 10.325 4.849 ( 0.000 -2.346 1.433) 2.749 4.883 ( 0.000 2.837 0.045) 2.838 4.927 ( 0.000 -0.358 0.206) 0.414 5.090 ( 0.000 3.906 1.088) 4.054 5.126 ( 0.000 0.708 0.439) 0.833 5.157 ( 0.000 6.502 1.981) 6.797 5.164 ( 0.000 3.613 0.269) 3.623 5.212 ( 0.000 2.186 -2.376) 3.229 5.258 ( 0.000 -1.999 0.508) 2.062 5.299 ( 0.000 2.042 1.228) 2.383 5.360 ( 0.000 -1.390 3.605) 3.863 7.954 ( 0.000 0.683 3.032) 3.108 7.960 ( 0.000 3.184 4.758) 5.725 8.018 ( 0.000 -5.315 7.534) 9.220 8.078 ( 0.000 -7.831 8.343) 11.443 9.212 ( 0.000 3.057 -14.350) 14.672 9.244 ( 0.000 0.384 -15.021) 15.026 9.279 ( 0.000 4.126 -10.796) 11.557 9.347 ( 0.000 -1.642 -12.264) 12.374 9.801 ( 0.000 3.926 8.350) 9.227 9.828 ( 0.000 5.081 6.797) 8.486 9.940 ( 0.000 -1.909 10.246) 10.422 10.058 ( 0.000 -8.856 8.124) 12.018 10.462 ( 0.000 2.039 0.276) 2.058 10.524 ( 0.000 -3.344 0.734) 3.423 10.635 ( 0.000 -2.930 1.887) 3.485 10.649 ( 0.000 -3.719 2.999) 4.777 11.680 ( 0.000 11.181 -18.283) 21.430 11.689 ( 0.000 10.650 -17.205) 20.235 11.910 ( 0.000 -9.620 -11.471) 14.971 11.912 ( 0.000 -9.954 -11.867) 15.489 12.618 ( 0.000 7.367 11.630) 13.767 12.652 ( 0.000 6.450 12.902) 14.425 12.760 ( 0.000 -6.234 9.283) 11.182 12.770 ( 0.000 -4.865 10.551) 11.618 17.887 ( 0.000 20.724 5.162) 21.357 18.175 ( 0.000 14.926 4.718) 15.654 18.311 ( 0.000 -19.812 3.696) 20.154 18.482 ( 0.000 -14.758 3.199) 15.101 20.009 ( 0.000 0.517 -7.961) 7.977 20.015 ( 0.000 -0.649 -9.635) 9.657 20.051 ( 0.000 0.671 -5.772) 5.811 20.104 ( 0.000 -3.213 -8.808) 9.376 22.814 ( 0.000 5.659 -0.921) 5.734 22.888 ( 0.000 7.698 0.242) 7.702 22.918 ( 0.000 -4.394 -1.400) 4.611 23.065 ( 0.000 -8.883 -3.035) 9.387 24.407 ( 0.000 5.877 5.890) 8.321 24.417 ( 0.000 3.074 4.877) 5.765 24.422 ( 0.000 3.780 7.016) 7.970 24.472 ( 0.000 0.600 7.089) 7.114 104.731 ( 0.000 0.407 0.094) 0.418 104.739 ( 0.000 -0.359 0.062) 0.364 104.760 ( 0.000 0.533 0.243) 0.586 104.779 ( 0.000 -1.319 0.045) 1.320 106.454 ( 0.000 -0.559 0.148) 0.579 106.464 ( 0.000 -1.651 0.088) 1.653 106.474 ( 0.000 -0.587 0.021) 0.588 106.479 ( 0.000 -1.054 0.010) 1.054 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 6.468 12.915 4.455) 15.115 2.209 ( -0.077 -1.921 -0.499) 1.986 2.274 ( -1.566 -3.582 2.303) 4.537 2.427 ( -3.625 -8.335 -0.517) 9.104 3.350 ( -0.431 19.251 -4.713) 19.824 3.367 ( -0.573 19.360 -4.259) 19.831 3.499 ( 1.747 7.150 -2.090) 7.652 3.561 ( -1.057 4.229 -4.418) 6.206 3.624 ( 1.840 -4.230 -2.184) 5.103 3.693 ( -1.212 -7.751 -3.154) 8.456 3.781 ( -0.225 -15.059 -5.102) 15.901 3.788 ( -0.266 -14.726 -6.189) 15.976 4.739 ( 3.146 8.292 3.339) 9.476 4.854 ( 0.524 -1.503 1.080) 1.924 4.874 ( -1.151 2.885 0.408) 3.133 4.902 ( -2.190 0.338 0.517) 2.276 5.096 ( 0.456 4.138 1.256) 4.349 5.121 ( -0.471 5.112 0.619) 5.171 5.147 ( 0.419 1.961 0.661) 2.111 5.203 ( -0.980 1.719 -1.776) 2.659 5.206 ( 2.274 3.728 2.157) 4.871 5.244 ( -0.814 0.374 0.410) 0.985 5.301 ( 0.308 0.328 0.696) 0.829 5.352 ( -0.978 -2.060 3.008) 3.775 7.952 ( -0.109 1.265 3.481) 3.705 7.958 ( -0.220 2.652 4.496) 5.225 8.025 ( 0.705 -5.794 7.562) 9.552 8.067 ( -0.981 -7.491 8.195) 11.146 9.222 ( 0.926 3.600 -14.029) 14.513 9.256 ( 0.532 2.789 -14.652) 14.925 9.277 ( 0.326 1.337 -11.350) 11.433 9.336 ( -1.076 -1.635 -12.565) 12.717 9.807 ( 0.632 4.787 7.833) 9.201 9.833 ( 0.207 6.332 5.710) 8.529 9.939 ( 0.305 -4.554 11.165) 12.062 10.026 ( -2.731 -8.391 8.631) 12.343 10.484 ( 1.924 2.279 0.448) 3.016 10.539 ( 0.936 -1.324 -0.043) 1.622 10.616 ( -1.083 -3.936 3.170) 5.169 10.646 ( -0.701 -5.018 2.612) 5.700 11.683 ( 0.236 11.185 -18.229) 21.388 11.689 ( 0.006 10.816 -17.461) 20.540 11.909 ( -0.076 -9.782 -11.458) 15.066 11.910 ( -0.116 -10.019 -11.745) 15.439 12.623 ( 0.529 7.246 11.842) 13.893 12.648 ( -0.429 6.602 12.750) 14.364 12.762 ( 0.141 -6.050 9.451) 11.222 12.769 ( -0.120 -5.074 10.355) 11.532 17.927 ( 3.811 19.976 5.057) 20.956 18.130 ( -4.173 15.889 4.719) 17.092 18.336 ( 2.408 -19.182 3.646) 19.673 18.458 ( -2.339 -15.629 3.295) 16.143 20.011 ( 0.314 0.791 -7.676) 7.723 20.023 ( 0.344 0.861 -8.564) 8.614 20.053 ( 0.355 -1.077 -6.935) 7.028 20.095 ( -0.928 -3.171 -8.867) 9.463 22.823 ( 0.831 6.267 -0.709) 6.362 22.873 ( -1.176 7.659 -0.118) 7.749 22.946 ( 2.356 -5.330 -1.544) 6.029 23.047 ( -1.753 -8.484 -2.830) 9.114 24.405 ( -0.048 5.428 5.796) 7.941 24.411 ( -0.290 5.066 5.894) 7.778 24.433 ( 0.777 2.092 6.285) 6.670 24.466 ( -0.609 0.761 6.935) 7.003 104.735 ( 0.365 0.501 0.119) 0.631 104.745 ( 0.551 -0.468 0.023) 0.723 104.756 ( -0.376 0.449 0.249) 0.637 104.774 ( -0.510 -1.235 0.048) 1.337 106.457 ( 0.290 -0.563 0.128) 0.646 106.466 ( 0.186 -1.519 0.065) 1.532 106.471 ( -0.256 -0.638 0.051) 0.690 106.477 ( -0.204 -1.139 0.023) 1.158 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -8.050 10.906 1.888) 13.686 2.100 ( 8.050 10.906 1.888) 13.686 2.335 ( -4.972 -11.572 0.860) 12.625 2.335 ( 4.972 -11.572 0.860) 12.625 3.353 ( -0.613 19.081 -4.394) 19.590 3.353 ( 0.613 19.081 -4.394) 19.590 3.535 ( -1.633 6.435 -3.442) 7.478 3.535 ( 1.633 6.435 -3.442) 7.478 3.662 ( -1.783 -5.940 -2.326) 6.624 3.662 ( 1.783 -5.940 -2.326) 6.624 3.781 ( -0.238 -15.349 -5.997) 16.480 3.781 ( 0.238 -15.349 -5.997) 16.480 4.817 ( -4.075 5.325 2.074) 7.019 4.817 ( 4.075 5.325 2.074) 7.019 4.870 ( -1.011 -0.147 0.487) 1.131 4.870 ( 1.011 -0.147 0.487) 1.131 5.108 ( -0.735 5.668 1.184) 5.837 5.108 ( 0.735 5.668 1.184) 5.837 5.172 ( -1.747 0.038 -0.237) 1.764 5.172 ( 1.747 0.038 -0.237) 1.764 5.235 ( -0.561 4.262 1.328) 4.500 5.235 ( 0.561 4.262 1.328) 4.500 5.322 ( -1.726 -2.467 1.386) 3.315 5.322 ( 1.726 -2.467 1.386) 3.315 7.953 ( -0.173 1.973 4.065) 4.522 7.953 ( 0.173 1.973 4.065) 4.522 8.044 ( -1.143 -6.702 7.834) 10.373 8.044 ( 1.143 -6.702 7.834) 10.373 9.245 ( -1.143 4.613 -13.347) 14.168 9.245 ( 1.143 4.613 -13.347) 14.168 9.306 ( -1.833 -1.482 -13.034) 13.246 9.306 ( 1.833 -1.482 -13.034) 13.246 9.824 ( -0.957 6.518 6.234) 9.070 9.824 ( 0.957 6.518 6.234) 9.070 9.968 ( -2.571 -7.486 10.367) 13.043 9.968 ( 2.571 -7.486 10.367) 13.043 10.527 ( -2.023 2.513 0.037) 3.226 10.527 ( 2.023 2.513 0.037) 3.226 10.622 ( -1.413 -6.515 3.181) 7.387 10.622 ( 1.413 -6.515 3.181) 7.387 11.687 ( -0.163 11.090 -17.949) 21.099 11.687 ( 0.163 11.090 -17.949) 21.099 11.909 ( -0.027 -10.018 -11.531) 15.275 11.909 ( 0.027 -10.018 -11.531) 15.275 12.636 ( -0.683 6.938 12.324) 14.159 12.636 ( 0.683 6.938 12.324) 14.159 12.765 ( -0.186 -5.572 9.890) 11.354 12.765 ( 0.186 -5.572 9.890) 11.354 18.026 ( -5.619 18.041 4.842) 19.507 18.026 ( 5.619 18.041 4.842) 19.507 18.398 ( -3.367 -17.527 3.488) 18.185 18.398 ( 3.367 -17.527 3.488) 18.185 20.020 ( -0.470 1.681 -7.197) 7.406 20.020 ( 0.470 1.681 -7.197) 7.406 20.071 ( -1.278 -2.940 -8.757) 9.325 20.071 ( 1.278 -2.940 -8.757) 9.325 22.846 ( -1.384 7.336 -0.393) 7.476 22.846 ( 1.384 7.336 -0.393) 7.476 23.000 ( -2.762 -7.265 -2.253) 8.092 23.000 ( 2.762 -7.265 -2.253) 8.092 24.407 ( -0.167 5.448 5.907) 8.037 24.407 ( 0.167 5.448 5.907) 8.037 24.450 ( -0.882 1.234 6.567) 6.740 24.450 ( 0.882 1.234 6.567) 6.740 104.745 ( -0.550 0.605 0.140) 0.830 104.745 ( 0.550 0.605 0.140) 0.830 104.761 ( -0.742 -0.989 0.078) 1.239 104.761 ( 0.742 -0.989 0.078) 1.239 106.464 ( -0.394 -0.571 0.073) 0.697 106.464 ( 0.394 -0.571 0.073) 0.697 106.472 ( -0.274 -1.364 0.060) 1.392 106.472 ( 0.274 -1.364 0.060) 1.392 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.000 0.000 15.763) 15.763 1.237 ( 0.000 0.000 29.297) 29.297 1.453 ( 0.000 0.000 18.783) 18.783 1.824 ( 0.000 0.000 24.123) 24.123 1.835 ( 0.000 0.000 16.887) 16.887 2.198 ( 0.000 0.000 -3.072) 3.072 2.846 ( 0.000 0.000 -3.417) 3.417 2.984 ( 0.000 0.000 11.818) 11.818 2.996 ( 0.000 0.000 -12.004) 12.004 3.135 ( 0.000 0.000 6.987) 6.987 3.273 ( 0.000 0.000 7.932) 7.932 3.569 ( 0.000 0.000 5.871) 5.871 3.949 ( 0.000 0.000 -0.386) 0.386 3.964 ( 0.000 0.000 -8.200) 8.200 4.086 ( 0.000 0.000 -7.323) 7.323 4.099 ( 0.000 0.000 1.959) 1.959 4.109 ( 0.000 0.000 -2.534) 2.534 4.284 ( 0.000 0.000 -1.417) 1.417 4.706 ( 0.000 0.000 -9.453) 9.453 4.846 ( 0.000 0.000 -13.705) 13.705 5.284 ( 0.000 0.000 -0.968) 0.968 5.515 ( 0.000 0.000 0.487) 0.487 5.542 ( 0.000 0.000 -5.375) 5.375 5.903 ( 0.000 0.000 -15.634) 15.634 8.177 ( 0.000 0.000 0.876) 0.876 8.203 ( 0.000 0.000 0.775) 0.775 8.670 ( 0.000 0.000 -2.619) 2.619 8.709 ( 0.000 0.000 -10.315) 10.315 8.713 ( 0.000 0.000 -1.411) 1.411 8.769 ( 0.000 0.000 -11.224) 11.224 9.589 ( 0.000 0.000 17.586) 17.586 9.682 ( 0.000 0.000 12.880) 12.880 9.848 ( 0.000 0.000 4.784) 4.784 9.851 ( 0.000 0.000 4.579) 4.579 9.956 ( 0.000 0.000 2.534) 2.534 9.983 ( 0.000 0.000 2.074) 2.074 10.104 ( 0.000 0.000 -4.613) 4.613 10.432 ( 0.000 0.000 -16.378) 16.378 11.055 ( 0.000 0.000 11.648) 11.648 11.418 ( 0.000 0.000 0.666) 0.666 11.438 ( 0.000 0.000 -7.721) 7.721 11.835 ( 0.000 0.000 -0.996) 0.996 11.841 ( 0.000 0.000 3.747) 3.747 11.958 ( 0.000 0.000 1.701) 1.701 12.541 ( 0.000 0.000 6.851) 6.851 12.731 ( 0.000 0.000 12.999) 12.999 13.381 ( 0.000 0.000 -2.291) 2.291 13.530 ( 0.000 0.000 -15.117) 15.117 15.902 ( 0.000 0.000 1.549) 1.549 15.924 ( 0.000 0.000 1.365) 1.365 16.485 ( 0.000 0.000 -1.859) 1.859 16.490 ( 0.000 0.000 -2.175) 2.175 21.400 ( 0.000 0.000 2.147) 2.147 21.549 ( 0.000 0.000 -0.418) 0.418 21.698 ( 0.000 0.000 16.109) 16.109 21.796 ( 0.000 0.000 -0.054) 0.054 21.896 ( 0.000 0.000 10.488) 10.488 21.967 ( 0.000 0.000 -3.708) 3.708 22.034 ( 0.000 0.000 11.050) 11.050 22.664 ( 0.000 0.000 -4.493) 4.493 23.102 ( 0.000 0.000 0.593) 0.593 23.415 ( 0.000 0.000 -4.715) 4.715 23.696 ( 0.000 0.000 -8.466) 8.466 23.746 ( 0.000 0.000 -8.743) 8.743 104.717 ( 0.000 0.000 0.437) 0.437 104.770 ( 0.000 0.000 -0.197) 0.197 104.960 ( 0.000 0.000 -0.431) 0.431 105.025 ( 0.000 0.000 -1.227) 1.227 106.760 ( 0.000 0.000 0.420) 0.420 106.786 ( 0.000 0.000 -0.334) 0.334 106.867 ( 0.000 0.000 0.687) 0.687 107.117 ( 0.000 0.000 -5.204) 5.204 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 22.548 0.000 8.605) 24.134 1.323 ( 8.054 0.000 26.970) 28.147 1.506 ( 2.943 0.000 14.529) 14.824 1.740 ( -8.668 0.000 18.424) 20.362 1.741 ( -5.241 0.000 23.156) 23.742 2.096 ( -10.141 0.000 3.726) 10.804 2.882 ( 3.081 0.000 -4.928) 5.811 2.984 ( -1.212 0.000 -10.954) 11.021 3.044 ( 5.146 0.000 9.042) 10.404 3.153 ( 2.974 0.000 10.619) 11.028 3.232 ( -3.534 0.000 6.371) 7.285 3.483 ( -7.737 0.000 10.396) 12.959 3.958 ( 0.947 0.000 -0.119) 0.955 3.992 ( 2.390 0.000 -8.791) 9.110 4.042 ( -2.945 0.000 0.572) 3.000 4.079 ( -0.940 0.000 -8.118) 8.173 4.170 ( 3.197 0.000 -1.196) 3.414 4.270 ( -1.423 0.000 -1.437) 2.022 4.708 ( 0.393 0.000 -9.441) 9.449 4.799 ( -3.875 0.000 -12.334) 12.928 5.273 ( 2.297 0.000 -1.483) 2.734 5.481 ( -4.765 0.000 -3.076) 5.672 5.714 ( 12.311 0.000 -10.661) 16.285 5.922 ( 0.936 0.000 -16.279) 16.306 8.181 ( 0.371 0.000 0.864) 0.940 8.199 ( -0.362 0.000 0.794) 0.872 8.679 ( 0.864 0.000 -2.287) 2.445 8.711 ( -0.309 0.000 -1.460) 1.493 8.718 ( 0.835 0.000 -10.452) 10.485 8.761 ( -0.819 0.000 -11.095) 11.125 9.609 ( 1.860 0.000 17.166) 17.266 9.675 ( -0.745 0.000 13.590) 13.610 9.848 ( 0.015 0.000 4.760) 4.760 9.850 ( -0.057 0.000 4.615) 4.615 9.960 ( 0.397 0.000 2.460) 2.491 9.979 ( -0.360 0.000 2.136) 2.166 10.130 ( 2.775 0.000 -5.099) 5.805 10.361 ( -6.378 0.000 -12.958) 14.442 11.103 ( 4.579 0.000 11.338) 12.228 11.359 ( -4.975 0.000 -0.202) 4.979 11.468 ( 1.895 0.000 -2.215) 2.914 11.655 ( -9.452 0.000 9.033) 13.074 11.920 ( 2.181 0.000 -1.153) 2.467 11.965 ( 0.120 0.000 0.636) 0.647 12.548 ( 0.792 0.000 7.663) 7.704 12.654 ( -5.131 0.000 13.302) 14.257 13.450 ( 4.572 0.000 -7.759) 9.006 13.530 ( -0.117 0.000 -14.466) 14.467 15.905 ( 0.281 0.000 1.530) 1.556 15.920 ( -0.303 0.000 1.400) 1.432 16.486 ( 0.077 0.000 -1.913) 1.915 16.489 ( -0.062 0.000 -2.137) 2.137 21.416 ( 1.555 0.000 1.953) 2.496 21.517 ( -2.682 0.000 0.339) 2.704 21.747 ( 5.178 0.000 16.626) 17.413 21.831 ( 2.991 0.000 -0.970) 3.144 21.921 ( 2.308 0.000 10.452) 10.704 21.948 ( -1.861 0.000 -3.354) 3.835 22.012 ( -2.091 0.000 11.312) 11.503 22.352 ( -22.252 0.000 9.389) 24.151 23.195 ( 5.569 0.000 -3.019) 6.334 23.373 ( -3.510 0.000 -3.982) 5.308 23.705 ( 0.818 0.000 -8.470) 8.509 23.740 ( -0.588 0.000 -8.683) 8.703 104.732 ( 1.620 0.000 0.542) 1.708 104.797 ( 0.828 0.000 -0.474) 0.954 104.955 ( 0.655 0.000 -1.466) 1.606 105.024 ( -0.613 0.000 -1.963) 2.057 106.793 ( 0.857 0.000 -0.189) 0.878 106.818 ( 1.713 0.000 -0.612) 1.819 106.898 ( 5.049 0.000 -2.446) 5.610 107.096 ( -2.207 0.000 -5.652) 6.068 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -17.179 0.000 6.989) 18.546 1.351 ( 17.179 0.000 6.989) 18.546 1.528 ( -11.401 0.000 22.323) 25.066 1.528 ( 11.401 0.000 22.323) 25.066 1.840 ( -12.895 0.000 16.714) 21.110 1.840 ( 12.895 0.000 16.714) 21.110 2.945 ( -2.713 0.000 -8.164) 8.603 2.945 ( 2.713 0.000 -8.164) 8.603 3.142 ( -4.480 0.000 5.967) 7.462 3.142 ( 4.480 0.000 5.967) 7.462 3.296 ( -9.632 0.000 13.269) 16.397 3.296 ( 9.632 0.000 13.269) 16.397 3.989 ( -2.176 0.000 0.438) 2.220 3.989 ( 2.176 0.000 0.438) 2.220 4.044 ( -2.445 0.000 -8.694) 9.031 4.044 ( 2.445 0.000 -8.694) 9.031 4.229 ( -2.594 0.000 -1.425) 2.960 4.229 ( 2.594 0.000 -1.425) 2.960 4.732 ( -2.250 0.000 -10.430) 10.670 4.732 ( 2.250 0.000 -10.430) 10.670 5.366 ( -5.979 0.000 -3.290) 6.824 5.366 ( 5.979 0.000 -3.290) 6.824 5.893 ( -4.829 0.000 -16.208) 16.912 5.893 ( 4.829 0.000 -16.208) 16.912 8.190 ( -0.519 0.000 0.832) 0.981 8.190 ( 0.519 0.000 0.832) 0.981 8.699 ( -0.916 0.000 -1.735) 1.962 8.699 ( 0.916 0.000 -1.735) 1.962 8.740 ( -1.170 0.000 -10.777) 10.840 8.740 ( 1.170 0.000 -10.777) 10.840 9.650 ( -1.803 0.000 15.519) 15.623 9.650 ( 1.803 0.000 15.519) 15.623 9.849 ( -0.054 0.000 4.693) 4.694 9.849 ( 0.054 0.000 4.693) 4.694 9.970 ( -0.533 0.000 2.291) 2.352 9.970 ( 0.533 0.000 2.291) 2.352 10.222 ( -6.355 0.000 -7.485) 9.819 10.222 ( 6.355 0.000 -7.485) 9.819 11.226 ( -7.271 0.000 8.514) 11.196 11.226 ( 7.271 0.000 8.514) 11.196 11.521 ( -3.939 0.000 3.694) 5.400 11.521 ( 3.939 0.000 3.694) 5.400 11.953 ( -1.193 0.000 -0.442) 1.272 11.953 ( 1.193 0.000 -0.442) 1.272 12.578 ( -2.414 0.000 10.147) 10.430 12.578 ( 2.414 0.000 10.147) 10.430 13.515 ( -1.743 0.000 -12.424) 12.545 13.515 ( 1.743 0.000 -12.424) 12.545 15.913 ( -0.413 0.000 1.473) 1.529 15.913 ( 0.413 0.000 1.473) 1.529 16.488 ( -0.098 0.000 -2.033) 2.035 16.488 ( 0.098 0.000 -2.033) 2.035 21.460 ( -2.700 0.000 1.347) 3.018 21.460 ( 2.700 0.000 1.347) 3.018 21.896 ( -3.134 0.000 -2.363) 3.925 21.896 ( 3.134 0.000 -2.363) 3.925 21.907 ( -8.621 0.000 14.770) 17.102 21.907 ( 8.621 0.000 14.770) 17.102 22.014 ( -7.502 0.000 12.963) 14.978 22.014 ( 7.502 0.000 12.963) 14.978 23.293 ( -4.371 0.000 -3.660) 5.701 23.293 ( 4.371 0.000 -3.660) 5.701 23.724 ( -0.962 0.000 -8.553) 8.607 23.724 ( 0.962 0.000 -8.553) 8.607 104.775 ( -2.279 0.000 0.483) 2.330 104.775 ( 2.279 0.000 0.483) 2.330 104.993 ( -2.284 0.000 -2.664) 3.509 104.993 ( 2.284 0.000 -2.664) 3.509 106.814 ( -1.012 0.000 0.111) 1.018 106.814 ( 1.012 0.000 0.111) 1.018 107.022 ( -5.349 0.000 -6.075) 8.094 107.022 ( 5.349 0.000 -6.075) 8.094 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 11.821 11.944) 16.805 1.147 ( 0.000 2.160 22.037) 22.142 1.756 ( 0.000 2.681 21.139) 21.308 1.875 ( 0.000 25.277 11.154) 27.628 2.125 ( 0.000 -1.958 4.013) 4.465 2.171 ( 0.000 21.268 15.634) 26.397 2.983 ( 0.000 6.012 9.684) 11.399 3.055 ( 0.000 1.767 2.140) 2.775 3.115 ( 0.000 8.531 4.841) 9.809 3.133 ( 0.000 11.572 -10.510) 15.633 3.304 ( 0.000 4.108 6.034) 7.300 3.424 ( 0.000 -5.300 9.556) 10.928 3.921 ( 0.000 -2.941 -8.372) 8.874 4.045 ( 0.000 -3.114 -7.679) 8.286 4.101 ( 0.000 11.509 -2.334) 11.743 4.214 ( 0.000 8.504 -2.145) 8.771 4.376 ( 0.000 7.825 -0.659) 7.852 4.382 ( 0.000 18.207 -4.851) 18.843 4.679 ( 0.000 -2.574 -9.611) 9.950 4.810 ( 0.000 -3.028 -11.565) 11.955 5.270 ( 0.000 -1.293 -0.925) 1.590 5.464 ( 0.000 -4.400 1.436) 4.629 5.512 ( 0.000 -2.661 -4.142) 4.923 5.784 ( 0.000 -10.137 -11.483) 15.317 8.235 ( 0.000 4.340 -4.400) 6.180 8.240 ( 0.000 3.163 -4.929) 5.857 8.539 ( 0.000 -7.829 -6.343) 10.076 8.572 ( 0.000 -8.277 -5.300) 9.828 8.838 ( 0.000 7.284 -5.680) 9.237 8.895 ( 0.000 7.063 -5.936) 9.227 9.588 ( 0.000 -3.801 12.609) 13.170 9.616 ( 0.000 -6.412 12.183) 13.767 9.796 ( 0.000 -6.089 1.864) 6.368 9.812 ( 0.000 -3.875 3.748) 5.390 9.874 ( 0.000 -0.865 2.543) 2.686 9.999 ( 0.000 5.752 2.249) 6.176 10.247 ( 0.000 8.289 -4.866) 9.612 10.436 ( 0.000 -0.048 -15.479) 15.479 11.092 ( 0.000 2.831 14.435) 14.711 11.386 ( 0.000 -2.942 -0.444) 2.975 11.397 ( 0.000 -3.726 -4.890) 6.148 11.618 ( 0.000 -16.221 9.921) 19.014 11.878 ( 0.000 3.980 5.313) 6.638 11.996 ( 0.000 3.954 4.568) 6.041 12.529 ( 0.000 -1.219 5.988) 6.111 12.635 ( 0.000 -5.578 12.270) 13.479 13.339 ( 0.000 -3.888 -2.446) 4.594 13.433 ( 0.000 -7.917 -11.819) 14.226 16.062 ( 0.000 12.555 1.580) 12.654 16.605 ( 0.000 10.698 -0.829) 10.730 16.641 ( 0.000 51.193 -26.246) 57.529 16.845 ( 0.000 34.081 -9.204) 35.302 21.035 ( 0.000 -23.449 2.382) 23.570 21.088 ( 0.000 -25.670 4.145) 26.002 21.321 ( 0.000 -25.560 3.565) 25.807 21.554 ( 0.000 -26.006 -1.760) 26.065 22.160 ( 0.000 20.397 10.539) 22.959 22.326 ( 0.000 26.878 8.023) 28.050 22.480 ( 0.000 24.969 6.863) 25.895 22.876 ( 0.000 11.481 1.117) 11.536 23.120 ( 0.000 2.232 1.045) 2.464 23.383 ( 0.000 -0.467 -3.726) 3.755 23.699 ( 0.000 0.446 -7.668) 7.681 23.775 ( 0.000 2.961 -7.416) 7.985 104.715 ( 0.000 -0.166 0.450) 0.479 104.768 ( 0.000 -0.178 -0.214) 0.279 104.922 ( 0.000 -2.996 0.937) 3.139 105.010 ( 0.000 -1.391 -1.180) 1.824 106.742 ( 0.000 -1.698 0.381) 1.740 106.764 ( 0.000 -2.090 -0.287) 2.110 106.837 ( 0.000 -2.750 0.932) 2.903 107.065 ( 0.000 -4.795 -4.534) 6.599 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 18.917 6.058 8.228) 21.500 1.227 ( 7.262 1.894 20.115) 21.469 1.673 ( -7.331 3.789 20.827) 22.402 1.828 ( -11.100 6.447 5.523) 13.974 2.003 ( 1.034 22.536 17.283) 28.419 2.220 ( -1.570 16.217 10.141) 19.191 3.032 ( 3.204 8.050 5.218) 10.114 3.072 ( 0.953 1.578 2.644) 3.223 3.121 ( 2.461 11.139 0.955) 11.448 3.148 ( 1.924 5.523 -1.381) 6.009 3.269 ( -3.143 5.489 3.368) 7.166 3.385 ( -4.167 -3.921 10.656) 12.095 3.947 ( 2.317 -3.125 -8.610) 9.448 4.033 ( -1.252 -3.190 -8.011) 8.713 4.110 ( 1.343 12.134 -1.073) 12.255 4.225 ( -0.286 10.680 -1.897) 10.851 4.330 ( -2.228 12.934 -1.109) 13.171 4.375 ( -1.371 10.349 -1.919) 10.614 4.682 ( 0.482 -2.439 -9.207) 9.537 4.769 ( -3.543 -2.524 -10.565) 11.425 5.260 ( 1.904 -1.120 -1.116) 2.475 5.446 ( -4.204 -3.225 -2.350) 5.796 5.624 ( 9.220 -7.456 -6.812) 13.675 5.796 ( 0.428 -10.618 -11.689) 15.798 8.237 ( 0.126 4.163 -4.475) 6.113 8.240 ( -0.003 3.331 -4.857) 5.890 8.545 ( 0.599 -7.912 -6.119) 10.020 8.569 ( -0.271 -8.220 -5.450) 9.866 8.847 ( 0.884 7.282 -5.670) 9.271 8.888 ( -0.696 7.121 -5.851) 9.243 9.592 ( 0.416 -4.633 12.405) 13.248 9.612 ( -0.379 -6.333 12.144) 13.702 9.798 ( 0.243 -6.137 1.809) 6.403 9.812 ( -0.185 -5.193 2.537) 5.783 9.902 ( 2.631 1.571 3.769) 4.858 9.993 ( -0.738 5.536 2.791) 6.244 10.256 ( 1.094 7.627 -5.791) 9.639 10.389 ( -4.123 1.769 -13.271) 14.009 11.131 ( 3.675 2.011 13.970) 14.584 11.334 ( -4.028 -2.291 1.365) 4.831 11.426 ( 1.651 -4.139 -1.415) 4.675 11.553 ( -5.011 -10.620 10.657) 15.858 11.898 ( 1.670 1.871 4.015) 4.734 11.977 ( -1.707 2.675 4.044) 5.141 12.535 ( 0.619 -1.312 6.655) 6.812 12.601 ( -2.563 -3.624 11.122) 11.975 13.371 ( 2.488 -5.897 -4.736) 7.962 13.431 ( -0.361 -7.981 -10.862) 13.483 16.110 ( 4.695 15.242 0.194) 15.950 16.445 ( -10.218 27.763 -9.878) 31.189 16.723 ( 3.486 31.442 -11.578) 33.687 16.826 ( -1.766 32.330 -8.338) 33.435 21.048 ( 1.160 -23.700 2.422) 23.851 21.087 ( -0.230 -25.415 3.629) 25.674 21.334 ( 1.509 -25.456 4.026) 25.817 21.498 ( -4.939 -26.508 0.616) 26.972 22.195 ( 3.669 20.940 11.000) 23.936 22.341 ( 0.892 26.347 8.396) 27.667 22.467 ( -1.100 24.869 6.844) 25.817 22.654 ( -14.612 16.266 7.795) 23.213 23.209 ( 4.889 1.475 -1.898) 5.448 23.356 ( -2.473 0.008 -3.535) 4.314 23.713 ( 1.259 1.005 -7.599) 7.767 23.766 ( -0.867 2.692 -7.423) 7.943 104.728 ( 1.467 -0.328 0.618) 1.625 104.791 ( 0.604 -0.554 -0.337) 0.886 104.924 ( 1.126 -2.559 -0.395) 2.824 105.004 ( -0.889 -1.750 -1.615) 2.542 106.768 ( 0.861 -2.343 -0.049) 2.497 106.790 ( 1.505 -2.548 -0.389) 2.985 106.861 ( 3.937 -3.227 -1.185) 5.227 107.043 ( -2.312 -4.862 -4.735) 7.169 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -5.618 0.499 8.445) 10.156 1.332 ( 5.618 0.499 8.445) 10.156 1.564 ( -4.751 4.206 18.177) 19.253 1.564 ( 4.751 4.206 18.177) 19.253 2.118 ( -7.183 22.480 13.152) 27.017 2.118 ( 7.183 22.480 13.152) 27.017 3.069 ( -1.193 7.494 0.150) 7.590 3.069 ( 1.193 7.494 0.150) 7.590 3.194 ( -4.010 7.886 -1.159) 8.923 3.194 ( 4.010 7.886 -1.159) 8.923 3.260 ( -7.571 -1.003 11.502) 13.807 3.260 ( 7.571 -1.003 11.502) 13.807 3.997 ( -2.274 -3.311 -8.628) 9.517 3.997 ( 2.274 -3.311 -8.628) 9.517 4.166 ( -4.047 13.765 0.083) 14.348 4.166 ( 4.047 13.765 0.083) 14.348 4.338 ( -1.976 9.258 -1.305) 9.556 4.338 ( 1.976 9.258 -1.305) 9.556 4.706 ( -2.194 -2.271 -9.424) 9.939 4.706 ( 2.194 -2.271 -9.424) 9.939 5.343 ( -5.376 -2.141 -2.680) 6.376 5.343 ( 5.376 -2.141 -2.680) 6.376 5.765 ( -4.186 -10.669 -11.064) 15.930 5.765 ( 4.186 -10.669 -11.064) 15.930 8.239 ( -0.110 3.743 -4.667) 5.984 8.239 ( 0.110 3.743 -4.667) 5.984 8.559 ( -0.683 -8.076 -5.748) 9.936 8.559 ( 0.683 -8.076 -5.748) 9.936 8.869 ( -1.146 7.228 -5.714) 9.285 8.869 ( 1.146 7.228 -5.714) 9.285 9.602 ( -0.529 -5.836 12.156) 13.494 9.602 ( 0.529 -5.836 12.156) 13.494 9.805 ( -0.394 -6.045 1.806) 6.321 9.805 ( 0.394 -6.045 1.806) 6.321 9.960 ( -2.611 4.331 3.942) 6.412 9.960 ( 2.611 4.331 3.942) 6.412 10.303 ( -3.700 5.283 -8.873) 10.969 10.303 ( 3.700 5.283 -8.873) 10.969 11.230 ( -5.769 -0.077 10.440) 11.928 11.230 ( 5.769 -0.077 10.440) 11.928 11.469 ( -2.980 -5.636 3.998) 7.525 11.469 ( 2.980 -5.636 3.998) 7.525 11.937 ( -2.107 1.145 3.395) 4.157 11.937 ( 2.107 1.145 3.395) 4.157 12.557 ( -1.633 -1.846 8.573) 8.920 12.557 ( 1.633 -1.846 8.573) 8.920 13.414 ( -1.479 -7.704 -8.303) 11.422 13.414 ( 1.479 -7.704 -8.303) 11.422 16.247 ( -8.796 22.051 -4.074) 24.087 16.247 ( 8.796 22.051 -4.074) 24.087 16.781 ( -2.545 30.435 -8.499) 31.701 16.781 ( 2.545 30.435 -8.499) 31.701 21.073 ( -1.173 -24.527 2.749) 24.708 21.073 ( 1.173 -24.527 2.749) 24.708 21.394 ( -4.544 -26.027 3.829) 26.697 21.394 ( 4.544 -26.027 3.829) 26.697 22.302 ( -5.774 22.768 11.337) 26.081 22.302 ( 5.774 22.768 11.337) 26.081 22.466 ( -2.862 23.078 7.198) 24.343 22.466 ( 2.862 23.078 7.198) 24.343 23.293 ( -3.668 0.639 -3.002) 4.783 23.293 ( 3.668 0.639 -3.002) 4.783 23.742 ( -1.430 1.971 -7.482) 7.869 23.742 ( 1.430 1.971 -7.482) 7.869 104.768 ( -2.166 -0.607 0.589) 2.325 104.768 ( 2.166 -0.607 0.589) 2.325 104.969 ( -2.487 -2.104 -2.026) 3.836 104.969 ( 2.487 -2.104 -2.026) 3.836 106.787 ( -0.911 -2.475 0.211) 2.646 106.787 ( 0.911 -2.475 0.211) 2.646 106.969 ( -5.079 -4.663 -4.524) 8.247 106.969 ( 5.079 -4.663 -4.524) 8.247 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 17.256 6.515) 18.445 1.351 ( 0.000 15.670 8.477) 17.816 1.909 ( 0.000 11.377 17.386) 20.777 1.964 ( 0.000 -3.429 4.439) 5.609 2.516 ( 0.000 22.287 4.240) 22.687 2.609 ( 0.000 17.682 8.533) 19.633 3.014 ( 0.000 -0.089 7.592) 7.593 3.163 ( 0.000 13.742 14.699) 20.122 3.294 ( 0.000 1.540 9.860) 9.979 3.344 ( 0.000 10.260 3.263) 10.766 3.547 ( 0.000 17.515 -8.393) 19.422 3.576 ( 0.000 20.301 -3.308) 20.569 3.859 ( 0.000 -2.988 -8.235) 8.760 3.978 ( 0.000 -2.718 -7.476) 7.954 4.371 ( 0.000 11.777 -3.969) 12.428 4.409 ( 0.000 8.665 -2.553) 9.033 4.576 ( 0.000 10.849 0.291) 10.853 4.619 ( 0.000 -1.251 -8.904) 8.991 4.687 ( 0.000 11.016 -5.432) 12.283 4.755 ( 0.000 -0.651 -5.733) 5.770 5.234 ( 0.000 -2.132 -0.790) 2.274 5.354 ( 0.000 -5.867 2.052) 6.216 5.449 ( 0.000 -2.992 -1.413) 3.309 5.547 ( 0.000 -11.566 -5.560) 12.833 8.269 ( 0.000 -3.866 -9.957) 10.681 8.286 ( 0.000 -2.684 -11.884) 12.183 8.403 ( 0.000 -0.956 -4.399) 4.502 8.451 ( 0.000 -0.491 -4.421) 4.449 8.988 ( 0.000 7.090 -3.978) 8.130 9.037 ( 0.000 6.231 -2.936) 6.888 9.395 ( 0.000 -12.673 8.027) 15.001 9.413 ( 0.000 -12.647 9.006) 15.526 9.661 ( 0.000 -7.331 -0.527) 7.350 9.662 ( 0.000 -5.969 2.519) 6.478 10.056 ( 0.000 13.026 0.569) 13.039 10.158 ( 0.000 8.574 -0.890) 8.620 10.390 ( 0.000 5.162 -8.983) 10.361 10.428 ( 0.000 -0.352 -15.857) 15.861 11.117 ( 0.000 -1.938 19.579) 19.675 11.258 ( 0.000 -12.319 18.136) 21.924 11.315 ( 0.000 -3.091 -3.050) 4.343 11.342 ( 0.000 -6.791 -2.955) 7.407 12.024 ( 0.000 10.162 9.652) 14.015 12.123 ( 0.000 7.881 9.460) 12.313 12.481 ( 0.000 -3.666 3.195) 4.862 12.536 ( 0.000 -4.567 6.873) 8.252 13.235 ( 0.000 -5.640 -2.362) 6.115 13.254 ( 0.000 -8.592 -6.985) 11.074 16.395 ( 0.000 18.382 3.018) 18.628 16.903 ( 0.000 17.123 2.308) 17.278 17.506 ( 0.000 37.375 -21.511) 43.123 17.756 ( 0.000 41.558 -35.759) 54.825 20.575 ( 0.000 -23.333 2.147) 23.431 20.578 ( 0.000 -19.885 0.487) 19.891 20.827 ( 0.000 -21.695 1.490) 21.747 20.989 ( 0.000 -26.697 -0.739) 26.707 22.523 ( 0.000 13.685 10.477) 17.235 22.857 ( 0.000 17.678 4.139) 18.156 22.899 ( 0.000 17.923 4.136) 18.394 22.941 ( 0.000 -4.026 7.737) 8.722 23.246 ( 0.000 11.441 2.965) 11.819 23.525 ( 0.000 13.334 -2.076) 13.495 23.737 ( 0.000 4.394 -3.144) 5.403 23.884 ( 0.000 7.887 -3.359) 8.572 104.712 ( 0.000 -0.093 0.421) 0.431 104.763 ( 0.000 -0.286 -0.244) 0.375 104.860 ( 0.000 -2.655 1.830) 3.225 104.970 ( 0.000 -2.374 -1.033) 2.589 106.693 ( 0.000 -2.942 0.283) 2.956 106.705 ( 0.000 -3.428 -0.199) 3.434 106.763 ( 0.000 -4.164 1.056) 4.296 106.934 ( 0.000 -7.440 -3.037) 8.036 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 9.062 11.590 7.956) 16.726 1.419 ( 5.095 13.841 6.496) 16.116 1.805 ( -8.781 5.113 15.123) 18.220 1.884 ( -6.743 8.057 9.635) 14.255 2.538 ( 2.341 21.803 4.119) 22.312 2.624 ( 0.299 17.319 6.216) 18.403 3.056 ( 3.726 0.307 7.836) 8.682 3.206 ( 4.025 13.211 14.792) 20.237 3.233 ( -4.133 2.064 7.639) 8.927 3.365 ( -0.161 8.553 6.930) 11.009 3.529 ( -0.716 18.974 -7.326) 20.351 3.572 ( -0.837 20.003 -7.146) 21.258 3.880 ( 1.922 -3.177 -8.248) 9.045 3.963 ( -1.456 -2.877 -7.838) 8.475 4.387 ( 2.024 11.877 -1.662) 12.163 4.437 ( 1.947 8.359 -3.738) 9.361 4.557 ( -1.350 10.541 -0.445) 10.637 4.617 ( -1.586 2.836 -8.200) 8.821 4.653 ( -0.762 6.259 -3.082) 7.018 4.743 ( -2.376 3.500 -4.534) 6.202 5.231 ( 1.143 -1.569 -0.232) 1.955 5.359 ( -2.232 -4.785 -0.335) 5.290 5.454 ( 2.712 -8.304 -3.052) 9.253 5.554 ( -0.140 -11.250 -5.321) 12.445 8.271 ( 0.180 -3.662 -10.166) 10.807 8.283 ( -0.305 -2.863 -11.479) 11.834 8.412 ( 0.813 -0.983 -4.397) 4.578 8.446 ( -0.492 -0.721 -4.439) 4.524 8.998 ( 0.899 7.102 -3.920) 8.162 9.032 ( -0.463 6.465 -3.183) 7.221 9.397 ( 0.144 -12.680 8.255) 15.131 9.409 ( -0.346 -12.655 8.975) 15.518 9.660 ( -0.087 -7.082 0.113) 7.083 9.660 ( -0.126 -6.261 1.882) 6.539 10.083 ( 2.412 12.184 0.266) 12.424 10.157 ( -0.347 9.076 -0.486) 9.096 10.387 ( -0.190 4.657 -9.951) 10.988 10.413 ( -1.291 0.688 -15.136) 15.206 11.136 ( 1.828 -2.983 19.547) 19.858 11.236 ( -2.070 -9.935 18.169) 20.811 11.318 ( 0.224 -4.398 -2.344) 4.988 11.335 ( -0.540 -6.520 -2.658) 7.062 12.030 ( 0.708 10.091 9.647) 13.978 12.099 ( -2.036 8.537 9.617) 13.020 12.487 ( 0.525 -3.590 3.714) 5.192 12.524 ( -1.028 -4.103 6.309) 7.596 13.241 ( 0.467 -6.448 -3.170) 7.200 13.254 ( -0.012 -8.248 -6.084) 10.249 16.469 ( 7.126 18.668 1.771) 20.060 16.835 ( -6.692 17.588 0.603) 18.827 17.520 ( 1.645 38.108 -21.045) 43.564 17.690 ( -5.584 41.427 -29.942) 51.419 20.580 ( 0.497 -22.299 1.550) 22.359 20.584 ( 0.462 -20.881 0.801) 20.902 20.837 ( 1.062 -22.056 1.720) 22.149 20.948 ( -3.539 -25.551 0.520) 25.800 22.555 ( 3.262 12.653 10.623) 16.841 22.818 ( -7.439 7.524 9.890) 14.483 22.881 ( 0.330 13.812 3.037) 14.146 22.907 ( -0.147 16.963 4.849) 17.643 23.292 ( 3.600 8.915 1.558) 9.740 23.469 ( -4.537 11.219 -1.543) 12.199 23.772 ( 2.779 5.811 -3.209) 7.197 23.869 ( -1.459 7.658 -3.280) 8.458 104.722 ( 1.117 -0.255 0.674) 1.329 104.777 ( 0.124 -0.743 -0.061) 0.756 104.868 ( 1.499 -2.532 0.662) 3.016 104.958 ( -1.281 -2.540 -1.170) 3.076 106.705 ( 0.663 -3.557 0.180) 3.623 106.721 ( 0.828 -3.895 -0.010) 3.982 106.779 ( 2.363 -4.438 -0.085) 5.029 106.913 ( -2.101 -7.218 -2.940) 8.072 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -9.911 5.171 7.029) 13.205 1.392 ( 9.911 5.171 7.029) 13.205 1.742 ( -5.224 12.949 13.453) 19.389 1.742 ( 5.224 12.949 13.453) 19.389 2.596 ( -2.783 19.399 4.250) 20.053 2.596 ( 2.783 19.399 4.250) 20.053 3.142 ( -4.539 1.858 8.671) 9.962 3.142 ( 4.539 1.858 8.671) 9.962 3.308 ( -4.958 9.464 11.010) 15.342 3.308 ( 4.958 9.464 11.010) 15.342 3.543 ( -1.670 20.114 -8.818) 22.025 3.543 ( 1.670 20.114 -8.818) 22.025 3.925 ( -2.236 -3.227 -8.236) 9.123 3.925 ( 2.236 -3.227 -8.236) 9.123 4.441 ( -2.257 9.949 -1.673) 10.338 4.441 ( 2.257 9.949 -1.673) 10.338 4.561 ( -2.430 9.676 -3.198) 10.477 4.561 ( 2.430 9.676 -3.198) 10.477 4.681 ( -2.757 3.437 -3.707) 5.758 4.681 ( 2.757 3.437 -3.707) 5.758 5.287 ( -3.857 -2.945 -1.070) 4.969 5.287 ( 3.857 -2.945 -1.070) 4.969 5.523 ( -2.982 -11.557 -4.975) 12.931 5.523 ( 2.982 -11.557 -4.975) 12.931 8.276 ( -0.338 -3.248 -10.730) 11.216 8.276 ( 0.338 -3.248 -10.730) 11.216 8.431 ( -0.929 -0.981 -4.421) 4.623 8.431 ( 0.929 -0.981 -4.421) 4.623 9.018 ( -0.958 6.908 -3.649) 7.871 9.018 ( 0.958 6.908 -3.649) 7.871 9.402 ( -0.354 -12.678 8.715) 15.388 9.402 ( 0.354 -12.678 8.715) 15.388 9.659 ( -0.021 -6.696 0.997) 6.769 9.659 ( 0.021 -6.696 0.997) 6.769 10.133 ( -2.090 10.441 -0.041) 10.648 10.133 ( 2.090 10.441 -0.041) 10.648 10.390 ( -0.696 2.968 -12.677) 13.038 10.390 ( 0.696 2.968 -12.677) 13.038 11.185 ( -2.764 -5.977 19.068) 20.173 11.185 ( 2.764 -5.977 19.068) 20.173 11.324 ( -0.465 -5.774 -2.202) 6.197 11.324 ( 0.465 -5.774 -2.202) 6.197 12.056 ( -1.913 9.591 9.694) 13.770 12.056 ( 1.913 9.591 9.694) 13.770 12.502 ( -0.988 -3.610 4.978) 6.228 12.502 ( 0.988 -3.610 4.978) 6.228 13.250 ( -0.395 -7.562 -4.575) 8.848 13.250 ( 0.395 -7.562 -4.575) 8.848 16.654 ( -10.297 18.632 -0.280) 21.290 16.654 ( 10.297 18.632 -0.280) 21.290 17.581 ( -4.496 39.889 -22.403) 45.970 17.581 ( 4.496 39.889 -22.403) 45.970 20.588 ( -0.158 -21.569 1.017) 21.594 20.588 ( 0.158 -21.569 1.017) 21.594 20.877 ( -3.000 -23.422 1.834) 23.684 20.877 ( 3.000 -23.422 1.834) 23.684 22.658 ( -7.030 9.801 10.894) 16.253 22.658 ( 7.030 9.801 10.894) 16.253 22.900 ( -0.823 17.551 3.962) 18.011 22.900 ( 0.823 17.551 3.962) 18.011 23.374 ( -4.524 8.857 -0.300) 9.950 23.374 ( 4.524 8.857 -0.300) 9.950 23.828 ( -2.528 7.015 -3.222) 8.123 23.828 ( 2.528 7.015 -3.222) 8.123 104.754 ( -1.834 -0.683 0.740) 2.092 104.754 ( 1.834 -0.683 0.740) 2.092 104.918 ( -2.655 -2.629 -1.062) 3.885 104.918 ( 2.655 -2.629 -1.062) 3.885 106.719 ( -0.662 -3.860 0.360) 3.933 106.719 ( 0.662 -3.860 0.360) 3.933 106.851 ( -3.854 -6.227 -2.239) 7.657 106.851 ( 3.854 -6.227 -2.239) 7.657 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 17.311 2.889) 17.550 1.690 ( 0.000 12.499 -1.125) 12.550 1.958 ( 0.000 6.438 10.689) 12.479 2.203 ( 0.000 16.441 12.036) 20.376 2.748 ( 0.000 2.468 -1.665) 2.978 2.804 ( 0.000 1.644 1.241) 2.060 3.062 ( 0.000 4.299 4.863) 6.491 3.303 ( 0.000 2.344 6.719) 7.116 3.657 ( 0.000 17.522 3.166) 17.806 3.670 ( 0.000 29.582 16.418) 33.833 3.788 ( 0.000 -1.191 -9.758) 9.830 3.802 ( 0.000 0.658 -5.862) 5.899 4.006 ( 0.000 18.416 -7.687) 19.956 4.041 ( 0.000 11.117 -8.377) 13.920 4.412 ( 0.000 -3.802 -8.777) 9.565 4.512 ( 0.000 2.824 -3.127) 4.213 4.779 ( 0.000 13.103 -2.370) 13.315 4.805 ( 0.000 10.739 0.960) 10.782 4.852 ( 0.000 9.165 -0.167) 9.167 4.858 ( 0.000 5.884 -3.253) 6.723 5.182 ( 0.000 -2.804 -0.332) 2.823 5.239 ( 0.000 -4.696 2.977) 5.560 5.340 ( 0.000 -7.704 -1.483) 7.845 5.397 ( 0.000 -1.983 0.304) 2.007 8.131 ( 0.000 -6.920 -4.599) 8.309 8.147 ( 0.000 -7.117 -5.875) 9.229 8.496 ( 0.000 6.375 -9.294) 11.270 8.515 ( 0.000 4.523 -8.281) 9.435 9.056 ( 0.000 -10.163 11.073) 15.030 9.107 ( 0.000 -4.661 6.490) 7.990 9.148 ( 0.000 -3.289 -1.993) 3.846 9.194 ( 0.000 -0.798 -5.018) 5.081 9.552 ( 0.000 -2.273 -1.548) 2.750 9.558 ( 0.000 -3.752 1.264) 3.959 10.303 ( 0.000 3.695 -4.224) 5.612 10.329 ( 0.000 12.366 -4.691) 13.225 10.455 ( 0.000 4.176 -13.940) 14.552 10.461 ( 0.000 1.993 -14.388) 14.525 10.991 ( 0.000 -11.791 14.210) 18.465 11.000 ( 0.000 -8.202 13.723) 15.987 11.234 ( 0.000 -5.203 2.141) 5.626 11.257 ( 0.000 -3.428 3.896) 5.189 12.274 ( 0.000 11.945 12.764) 17.481 12.289 ( 0.000 5.692 10.182) 11.665 12.372 ( 0.000 -5.817 -1.460) 5.997 12.437 ( 0.000 -3.299 3.242) 4.625 13.102 ( 0.000 -5.682 -2.551) 6.228 13.124 ( 0.000 -4.706 -0.952) 4.802 16.792 ( 0.000 19.605 5.926) 20.481 17.282 ( 0.000 18.809 5.718) 19.659 18.188 ( 0.000 26.767 -24.810) 36.497 18.446 ( 0.000 25.391 -28.302) 38.022 20.144 ( 0.000 -17.667 -0.891) 17.690 20.225 ( 0.000 -14.076 -2.021) 14.221 20.432 ( 0.000 -16.358 -1.292) 16.409 20.478 ( 0.000 -22.287 -1.583) 22.343 22.715 ( 0.000 4.919 7.732) 9.164 22.829 ( 0.000 -4.846 8.037) 9.385 22.980 ( 0.000 1.617 -1.553) 2.242 23.229 ( 0.000 6.468 -2.258) 6.850 23.568 ( 0.000 19.404 4.758) 19.979 23.837 ( 0.000 15.589 1.604) 15.671 23.937 ( 0.000 14.466 6.919) 16.036 24.098 ( 0.000 12.243 2.421) 12.480 104.712 ( 0.000 0.109 0.351) 0.368 104.757 ( 0.000 -0.312 -0.248) 0.399 104.815 ( 0.000 -1.751 1.693) 2.436 104.916 ( 0.000 -2.760 -0.791) 2.871 106.626 ( 0.000 -3.438 0.172) 3.442 106.628 ( 0.000 -3.891 -0.009) 3.891 106.673 ( 0.000 -4.402 0.779) 4.471 106.774 ( 0.000 -7.612 -1.576) 7.773 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 2.019 14.827 4.385) 15.593 1.662 ( -4.196 7.127 2.604) 8.671 1.971 ( 2.943 14.662 8.624) 17.263 2.171 ( -3.375 16.960 10.049) 20.000 2.767 ( 1.760 2.199 -1.450) 3.168 2.811 ( 0.326 1.324 0.599) 1.489 3.103 ( 3.623 3.735 5.223) 7.372 3.267 ( -3.266 2.329 6.562) 7.691 3.641 ( 0.373 22.010 7.535) 23.268 3.703 ( 0.184 22.964 10.054) 25.069 3.796 ( 1.089 1.974 -8.975) 9.254 3.812 ( 0.890 -0.629 -5.035) 5.151 3.987 ( -1.001 17.003 -7.793) 18.730 4.029 ( -1.369 11.870 -9.508) 15.270 4.437 ( 2.165 -3.290 -7.951) 8.873 4.507 ( -0.550 1.756 -3.660) 4.096 4.764 ( -1.729 10.366 -1.468) 10.611 4.790 ( -1.357 10.386 0.924) 10.515 4.828 ( 2.116 11.262 0.058) 11.459 4.918 ( 1.351 9.203 -1.492) 9.421 5.199 ( 1.407 -1.472 0.409) 2.077 5.250 ( 1.466 -6.184 1.183) 6.464 5.301 ( -3.079 -5.155 -0.744) 6.050 5.375 ( -2.237 -5.589 -1.119) 6.123 8.134 ( 0.295 -6.925 -4.834) 8.450 8.146 ( -0.151 -7.038 -5.747) 9.088 8.497 ( 0.142 5.995 -8.948) 10.772 8.511 ( -0.416 4.689 -8.229) 9.480 9.062 ( 0.643 -10.021 10.375) 14.439 9.099 ( -0.778 -7.521 7.839) 10.892 9.159 ( 1.021 -0.683 -3.234) 3.460 9.193 ( -0.244 -0.391 -4.557) 4.580 9.550 ( -0.127 -2.802 -1.061) 2.998 9.555 ( -0.251 -3.418 0.745) 3.507 10.306 ( 0.667 5.175 -4.918) 7.170 10.345 ( 0.570 10.052 -1.605) 10.195 10.434 ( -0.513 2.402 -17.021) 17.197 10.469 ( -0.263 4.394 -13.938) 14.616 10.991 ( 0.019 -11.426 14.079) 18.132 10.998 ( -0.239 -8.983 13.806) 16.473 11.235 ( 0.195 -4.677 2.676) 5.392 11.254 ( -0.387 -3.427 3.731) 5.081 12.272 ( -0.113 10.686 11.760) 15.890 12.282 ( -0.558 6.179 9.776) 11.579 12.385 ( 1.125 -4.624 0.173) 4.762 12.430 ( -0.672 -3.045 3.266) 4.516 13.105 ( 0.336 -5.573 -2.235) 6.014 13.122 ( -0.266 -4.937 -1.147) 5.076 16.865 ( 6.876 19.267 5.112) 21.087 17.213 ( -6.591 18.534 4.672) 20.218 18.214 ( 2.657 27.236 -23.987) 36.390 18.395 ( -4.567 26.370 -26.322) 37.538 20.158 ( 1.400 -17.439 -1.030) 17.525 20.219 ( -0.737 -14.846 -1.981) 14.996 20.432 ( 0.119 -16.813 -1.150) 16.853 20.463 ( -1.236 -20.832 -1.238) 20.906 22.714 ( 0.358 3.423 7.800) 8.526 22.798 ( -2.708 -3.075 8.127) 9.101 23.029 ( 4.248 2.658 -1.760) 5.311 23.201 ( -2.783 5.788 -2.342) 6.837 23.597 ( 2.789 19.138 4.843) 19.937 23.772 ( -4.823 16.796 3.665) 17.855 23.982 ( 3.094 13.638 4.786) 14.781 24.082 ( -1.520 12.377 2.716) 12.763 104.719 ( 0.795 0.016 0.580) 0.985 104.763 ( -0.207 -0.594 0.128) 0.642 104.823 ( 1.355 -1.819 0.788) 2.401 104.903 ( -1.310 -2.706 -0.784) 3.107 106.627 ( 0.297 -3.774 0.205) 3.792 106.637 ( 0.346 -4.118 0.204) 4.137 106.683 ( 1.295 -4.664 0.159) 4.843 106.760 ( -1.379 -7.218 -1.438) 7.487 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.134 8.969 5.860) 12.345 1.542 ( 6.134 8.969 5.860) 12.345 2.072 ( -5.939 18.124 7.568) 20.519 2.072 ( 5.939 18.124 7.568) 20.519 2.803 ( -1.303 1.607 -0.649) 2.168 2.803 ( 1.303 1.607 -0.649) 2.168 3.187 ( -4.394 2.789 6.035) 7.969 3.187 ( 4.394 2.789 6.035) 7.969 3.672 ( -2.302 20.625 6.706) 21.810 3.672 ( 2.302 20.625 6.706) 21.810 3.819 ( -0.579 2.462 -5.001) 5.604 3.819 ( 0.579 2.462 -5.001) 5.604 3.993 ( -1.642 14.067 -9.364) 16.979 3.993 ( 1.642 14.067 -9.364) 16.979 4.482 ( -1.958 -1.228 -5.887) 6.324 4.482 ( 1.958 -1.228 -5.887) 6.324 4.759 ( -1.189 10.079 0.704) 10.173 4.759 ( 1.189 10.079 0.704) 10.173 4.893 ( -3.262 11.992 0.071) 12.428 4.893 ( 3.262 11.992 0.071) 12.428 5.235 ( -2.372 -1.725 0.893) 3.066 5.235 ( 2.372 -1.725 0.893) 3.066 5.313 ( -3.530 -8.279 -2.062) 9.233 5.313 ( 3.530 -8.279 -2.062) 9.233 8.141 ( -0.346 -6.944 -5.344) 8.769 8.141 ( 0.346 -6.944 -5.344) 8.769 8.502 ( -0.372 5.235 -8.391) 9.897 8.502 ( 0.372 5.235 -8.391) 9.897 9.080 ( -1.035 -9.472 9.116) 13.187 9.080 ( 1.035 -9.472 9.116) 13.187 9.181 ( -0.953 0.316 -3.971) 4.096 9.181 ( 0.953 0.316 -3.971) 4.096 9.550 ( -0.180 -3.213 -0.174) 3.222 9.550 ( 0.180 -3.213 -0.174) 3.222 10.331 ( -1.520 6.345 -3.265) 7.296 10.331 ( 1.520 6.345 -3.265) 7.296 10.449 ( -1.463 4.557 -15.590) 16.308 10.449 ( 1.463 4.557 -15.590) 16.308 10.993 ( -0.180 -10.409 13.915) 17.379 10.993 ( 0.180 -10.409 13.915) 17.379 11.243 ( -0.577 -3.787 3.389) 5.115 11.243 ( 0.577 -3.787 3.389) 5.115 12.273 ( -0.223 8.159 10.215) 13.076 12.273 ( 0.223 8.159 10.215) 13.076 12.410 ( -1.252 -3.223 2.396) 4.207 12.410 ( 1.252 -3.223 2.396) 4.207 13.114 ( -0.479 -5.317 -1.630) 5.582 13.114 ( 0.479 -5.317 -1.630) 5.582 17.040 ( -9.712 18.619 3.983) 21.375 17.040 ( 9.712 18.619 3.983) 21.375 18.292 ( -4.937 27.502 -23.771) 36.685 18.292 ( 4.937 27.502 -23.771) 36.685 20.193 ( -1.743 -16.476 -1.522) 16.637 20.193 ( 1.743 -16.476 -1.522) 16.637 20.440 ( -0.774 -18.267 -0.990) 18.311 20.440 ( 0.774 -18.267 -0.990) 18.311 22.742 ( -2.400 0.389 8.060) 8.419 22.742 ( 2.400 0.389 8.060) 8.419 23.124 ( -4.655 4.317 -2.216) 6.725 23.124 ( 4.655 4.317 -2.216) 6.725 23.674 ( -4.646 18.266 4.680) 19.420 23.674 ( 4.646 18.266 4.680) 19.420 24.040 ( -2.579 12.819 3.468) 13.528 24.040 ( 2.579 12.819 3.468) 13.528 104.743 ( -1.385 -0.371 0.713) 1.602 104.743 ( 1.385 -0.371 0.713) 1.602 104.865 ( -2.301 -2.366 -0.497) 3.338 104.865 ( 2.301 -2.366 -0.497) 3.338 106.635 ( -0.360 -4.062 0.359) 4.094 106.635 ( 0.360 -4.062 0.359) 4.094 106.722 ( -2.209 -6.038 -0.910) 6.493 106.722 ( 2.209 -6.038 -0.910) 6.493 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 14.560 0.541) 14.570 1.788 ( 0.000 1.730 9.089) 9.252 2.280 ( 0.000 18.830 -2.291) 18.969 2.569 ( 0.000 18.227 7.051) 19.543 2.740 ( 0.000 -6.673 -1.544) 6.849 2.742 ( 0.000 -0.917 1.241) 1.544 3.176 ( 0.000 6.489 1.903) 6.762 3.363 ( 0.000 3.177 3.646) 4.836 3.704 ( 0.000 -4.688 -8.160) 9.411 3.750 ( 0.000 -1.904 -9.332) 9.524 3.978 ( 0.000 4.082 -2.036) 4.562 4.123 ( 0.000 -6.797 -14.808) 16.293 4.268 ( 0.000 12.643 -3.264) 13.058 4.272 ( 0.000 25.853 8.324) 27.160 4.516 ( 0.000 14.361 -0.882) 14.388 4.652 ( 0.000 10.772 0.315) 10.777 4.947 ( 0.000 3.186 -1.026) 3.347 4.978 ( 0.000 5.335 -2.004) 5.699 5.021 ( 0.000 9.105 -0.401) 9.114 5.048 ( 0.000 7.282 2.822) 7.810 5.141 ( 0.000 -0.179 1.624) 1.634 5.180 ( 0.000 -0.478 3.348) 3.382 5.256 ( 0.000 0.577 -0.217) 0.617 5.363 ( 0.000 -1.478 0.629) 1.606 8.024 ( 0.000 -2.928 0.918) 3.069 8.035 ( 0.000 -3.402 -0.874) 3.512 8.565 ( 0.000 -2.804 -1.515) 3.187 8.603 ( 0.000 1.724 -4.626) 4.937 8.852 ( 0.000 -4.112 3.232) 5.230 8.873 ( 0.000 -8.097 2.554) 8.490 9.172 ( 0.000 -3.052 -5.069) 5.917 9.214 ( 0.000 1.151 -3.423) 3.611 9.538 ( 0.000 2.743 -1.596) 3.174 9.590 ( 0.000 5.277 -2.277) 5.747 10.315 ( 0.000 -1.629 -9.911) 10.044 10.465 ( 0.000 -0.229 -10.342) 10.345 10.524 ( 0.000 -1.331 6.018) 6.164 10.538 ( 0.000 3.619 -5.458) 6.549 10.852 ( 0.000 1.265 -3.553) 3.771 10.855 ( 0.000 -2.246 1.019) 2.466 11.111 ( 0.000 -6.320 4.889) 7.990 11.151 ( 0.000 -6.740 8.650) 10.966 12.169 ( 0.000 -10.796 -6.553) 12.630 12.195 ( 0.000 -10.415 -4.569) 11.373 12.541 ( 0.000 8.737 12.569) 15.307 12.557 ( 0.000 11.916 12.864) 17.535 13.022 ( 0.000 -2.196 1.893) 2.899 13.046 ( 0.000 -2.956 1.736) 3.429 17.202 ( 0.000 20.022 8.814) 21.876 17.662 ( 0.000 17.647 8.285) 19.495 18.582 ( 0.000 11.208 -18.787) 21.876 18.792 ( 0.000 7.022 -14.264) 15.899 19.876 ( 0.000 -7.469 -7.437) 10.540 19.993 ( 0.000 -8.423 -4.855) 9.722 20.084 ( 0.000 -15.047 -5.311) 15.957 20.150 ( 0.000 -10.899 -4.080) 11.638 22.722 ( 0.000 -1.642 5.390) 5.634 22.806 ( 0.000 1.123 5.509) 5.623 22.985 ( 0.000 -0.864 -2.305) 2.461 23.231 ( 0.000 -3.818 -7.122) 8.081 23.984 ( 0.000 19.184 6.974) 20.413 24.145 ( 0.000 13.785 4.010) 14.357 24.251 ( 0.000 14.177 10.256) 17.498 24.357 ( 0.000 11.840 6.663) 13.586 104.717 ( 0.000 0.309 0.274) 0.413 104.751 ( 0.000 -0.290 -0.198) 0.351 104.786 ( 0.000 -1.048 1.254) 1.635 104.860 ( 0.000 -2.567 -0.491) 2.613 106.550 ( 0.000 -3.472 0.174) 3.476 106.557 ( 0.000 -3.113 0.076) 3.114 106.586 ( 0.000 -3.828 0.377) 3.846 106.630 ( 0.000 -6.144 -0.578) 6.171 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -1.407 11.629 3.754) 12.301 1.771 ( -1.587 6.730 5.838) 9.050 2.340 ( 5.291 18.081 -1.163) 18.875 2.548 ( -2.622 18.756 4.985) 19.583 2.738 ( 0.489 -5.851 -0.476) 5.891 2.752 ( 0.544 -2.774 1.263) 3.096 3.201 ( 2.315 5.648 2.081) 6.449 3.328 ( -3.058 3.341 3.225) 5.560 3.717 ( 0.986 -4.113 -7.886) 8.948 3.745 ( -0.419 -2.100 -9.093) 9.342 3.996 ( 1.853 3.022 -4.433) 5.676 4.102 ( -2.074 -5.028 -13.347) 14.413 4.270 ( 0.334 16.987 0.572) 17.000 4.284 ( 0.506 22.633 5.956) 23.410 4.521 ( 1.221 12.062 -1.942) 12.278 4.637 ( -1.848 10.756 -0.010) 10.913 4.925 ( -1.042 5.182 -0.252) 5.292 4.968 ( -1.439 6.521 -0.124) 6.679 5.049 ( 2.369 8.437 1.662) 8.919 5.073 ( 1.820 3.310 -0.268) 3.787 5.135 ( 0.750 -1.946 0.937) 2.286 5.206 ( 1.647 1.951 2.384) 3.493 5.253 ( -0.371 1.338 0.336) 1.429 5.314 ( -4.501 -0.926 0.467) 4.619 8.026 ( 0.203 -3.058 0.588) 3.121 8.035 ( -0.047 -3.324 -0.558) 3.371 8.568 ( 0.369 -2.072 -1.873) 2.817 8.596 ( -0.707 1.034 -3.949) 4.143 8.852 ( 0.127 -5.068 3.044) 5.913 8.870 ( -0.347 -7.071 2.592) 7.539 9.183 ( 1.023 -2.600 -4.771) 5.529 9.214 ( -0.108 0.389 -3.658) 3.680 9.542 ( 0.449 3.207 -1.799) 3.705 9.580 ( -0.911 4.980 -2.220) 5.528 10.327 ( 1.233 -1.530 -9.761) 9.957 10.423 ( -3.018 -1.000 -8.954) 9.502 10.537 ( 0.898 1.360 2.504) 2.987 10.555 ( 0.816 0.844 -2.591) 2.845 10.850 ( -0.207 -0.998 -0.656) 1.212 10.852 ( -0.152 0.661 -2.894) 2.972 11.120 ( 0.755 -6.282 5.630) 8.470 11.148 ( -0.298 -6.630 8.123) 10.489 12.173 ( 0.362 -10.651 -6.256) 12.358 12.191 ( -0.335 -10.420 -4.874) 11.508 12.544 ( 0.345 9.239 12.689) 15.700 12.556 ( -0.075 11.313 12.872) 17.137 13.025 ( 0.311 -2.303 1.892) 2.997 13.042 ( -0.336 -2.848 1.781) 3.376 17.266 ( 6.031 19.476 8.260) 21.998 17.590 ( -6.726 17.685 7.631) 20.402 18.614 ( 2.998 11.134 -17.426) 20.895 18.761 ( -2.878 8.166 -14.408) 16.809 19.886 ( 1.040 -8.172 -6.899) 10.745 19.965 ( -2.266 -9.665 -5.289) 11.248 20.104 ( 1.473 -13.061 -4.953) 14.046 20.146 ( -0.428 -11.042 -4.276) 11.848 22.722 ( 0.192 -0.964 5.441) 5.529 22.775 ( -2.232 0.640 5.425) 5.901 23.040 ( 4.440 -1.248 -2.955) 5.478 23.205 ( -2.545 -3.396 -6.475) 7.742 24.003 ( 1.794 18.642 6.929) 19.969 24.112 ( -2.763 15.180 5.498) 16.379 24.274 ( 1.849 13.281 8.696) 15.981 24.344 ( -1.186 11.978 6.838) 13.844 104.722 ( 0.577 0.246 0.422) 0.756 104.753 ( -0.223 -0.333 0.135) 0.423 104.792 ( 0.906 -1.256 0.649) 1.678 104.849 ( -1.045 -2.410 -0.447) 2.664 106.552 ( 0.176 -3.440 0.205) 3.451 106.558 ( 0.038 -3.349 0.165) 3.353 106.591 ( 0.549 -4.080 0.137) 4.120 106.623 ( -0.610 -5.813 -0.508) 5.867 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -0.558 10.083 4.828) 11.193 1.744 ( 0.558 10.083 4.828) 11.193 2.459 ( -5.812 17.871 1.318) 18.839 2.459 ( 5.812 17.871 1.318) 18.839 2.754 ( -0.555 -4.286 1.014) 4.439 2.754 ( 0.555 -4.286 1.014) 4.439 3.260 ( -3.405 4.203 2.579) 5.993 3.260 ( 3.405 4.203 2.579) 5.993 3.734 ( -0.684 -2.894 -8.285) 8.802 3.734 ( 0.684 -2.894 -8.285) 8.802 4.048 ( -2.976 -0.644 -9.251) 9.740 4.048 ( 2.976 -0.644 -9.251) 9.740 4.281 ( -0.637 20.110 3.517) 20.425 4.281 ( 0.637 20.110 3.517) 20.425 4.576 ( -3.685 10.430 -1.334) 11.142 4.576 ( 3.685 10.430 -1.334) 11.142 4.931 ( -1.558 6.336 0.871) 6.582 4.931 ( 1.558 6.336 0.871) 6.582 5.086 ( -0.952 4.009 0.462) 4.146 5.086 ( 0.952 4.009 0.462) 4.146 5.202 ( -5.145 -0.569 0.608) 5.212 5.202 ( 5.145 -0.569 0.608) 5.212 5.239 ( -0.962 2.452 0.855) 2.769 5.239 ( 0.962 2.452 0.855) 2.769 8.032 ( -0.271 -3.217 0.007) 3.228 8.032 ( 0.271 -3.217 0.007) 3.228 8.580 ( -0.766 -0.499 -2.752) 2.900 8.580 ( 0.766 -0.499 -2.752) 2.900 8.859 ( -0.575 -6.040 2.744) 6.658 8.859 ( 0.575 -6.040 2.744) 6.658 9.204 ( -0.883 -1.263 -4.184) 4.459 9.204 ( 0.883 -1.263 -4.184) 4.459 9.558 ( -1.095 4.187 -2.085) 4.804 9.558 ( 1.095 4.187 -2.085) 4.804 10.365 ( -2.525 -1.362 -9.265) 9.699 10.365 ( 2.525 -1.362 -9.265) 9.699 10.555 ( -0.690 0.802 0.360) 1.118 10.555 ( 0.690 0.802 0.360) 1.118 10.849 ( -0.110 0.177 -2.318) 2.328 10.849 ( 0.110 0.177 -2.318) 2.328 11.137 ( -0.825 -6.386 6.969) 9.488 11.137 ( 0.825 -6.386 6.969) 9.488 12.182 ( -0.513 -10.464 -5.568) 11.864 12.182 ( 0.513 -10.464 -5.568) 11.864 12.552 ( -0.340 10.224 12.845) 16.420 12.552 ( 0.340 10.224 12.845) 16.420 13.034 ( -0.479 -2.574 1.859) 3.211 13.034 ( 0.479 -2.574 1.859) 3.211 17.424 ( -8.970 18.347 7.396) 21.721 17.424 ( 8.970 18.347 7.396) 21.721 18.688 ( -4.036 10.162 -15.360) 18.855 18.688 ( 4.036 10.162 -15.360) 18.855 19.918 ( -2.125 -9.458 -5.974) 11.387 19.918 ( 2.125 -9.458 -5.974) 11.387 20.131 ( -1.108 -11.561 -4.605) 12.494 20.131 ( 1.108 -11.561 -4.605) 12.494 22.737 ( -1.392 -0.023 5.495) 5.669 22.737 ( 1.392 -0.023 5.495) 5.669 23.133 ( -4.414 -2.344 -4.795) 6.926 23.133 ( 4.414 -2.344 -4.795) 6.926 24.052 ( -2.920 17.165 6.589) 18.617 24.052 ( 2.920 17.165 6.589) 18.617 24.313 ( -1.848 12.420 7.419) 14.585 24.313 ( 1.848 12.420 7.419) 14.585 104.739 ( -0.968 -0.043 0.534) 1.106 104.739 ( 0.968 -0.043 0.534) 1.106 104.821 ( -1.657 -1.911 -0.195) 2.537 104.821 ( 1.657 -1.911 -0.195) 2.537 106.556 ( -0.203 -3.456 0.246) 3.470 106.556 ( 0.203 -3.456 0.246) 3.470 106.607 ( -0.910 -4.948 -0.272) 5.038 106.607 ( 0.910 -4.948 -0.272) 5.038 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.000 5.456 11.213) 12.470 2.044 ( 0.000 11.080 -1.034) 11.128 2.511 ( 0.000 0.213 -5.630) 5.634 2.543 ( 0.000 -11.147 0.503) 11.159 2.864 ( 0.000 15.495 0.034) 15.495 2.951 ( 0.000 17.648 1.204) 17.689 3.320 ( 0.000 7.070 -0.126) 7.071 3.424 ( 0.000 2.591 -0.964) 2.765 3.609 ( 0.000 -4.319 -6.926) 8.162 3.702 ( 0.000 -2.727 -6.823) 7.348 3.875 ( 0.000 -10.758 -10.317) 14.905 3.916 ( 0.000 -11.517 -11.420) 16.219 4.568 ( 0.000 13.811 4.962) 14.676 4.687 ( 0.000 13.433 1.228) 13.489 4.806 ( 0.000 10.908 -0.083) 10.909 4.864 ( 0.000 7.714 0.253) 7.718 5.018 ( 0.000 4.763 1.784) 5.086 5.052 ( 0.000 3.540 -2.148) 4.141 5.120 ( 0.000 0.508 1.176) 1.281 5.134 ( 0.000 2.809 3.340) 4.364 5.163 ( 0.000 2.376 2.189) 3.231 5.231 ( 0.000 4.477 0.841) 4.556 5.328 ( 0.000 -2.060 0.539) 2.130 5.356 ( 0.000 5.838 0.787) 5.891 8.010 ( 0.000 0.971 4.087) 4.201 8.016 ( 0.000 2.075 5.856) 6.213 8.398 ( 0.000 -10.069 9.656) 13.951 8.485 ( 0.000 -10.107 9.351) 13.769 8.863 ( 0.000 3.914 -11.191) 11.856 8.901 ( 0.000 5.382 -8.473) 10.038 9.095 ( 0.000 -3.628 -7.517) 8.346 9.189 ( 0.000 -2.698 -5.989) 6.568 9.666 ( 0.000 8.703 -2.305) 9.003 9.728 ( 0.000 7.368 -1.251) 7.473 10.222 ( 0.000 -7.422 -5.054) 8.979 10.365 ( 0.000 -10.146 -8.771) 13.412 10.474 ( 0.000 -0.169 9.729) 9.731 10.527 ( 0.000 0.310 5.442) 5.450 10.885 ( 0.000 -5.362 5.152) 7.436 10.896 ( 0.000 -4.077 4.399) 5.998 11.075 ( 0.000 6.722 -8.496) 10.833 11.092 ( 0.000 9.123 -12.833) 15.745 11.921 ( 0.000 -12.895 -11.129) 17.033 11.942 ( 0.000 -13.561 -9.985) 16.840 12.713 ( 0.000 7.501 12.069) 14.210 12.767 ( 0.000 8.286 12.311) 14.840 12.993 ( 0.000 -2.366 4.734) 5.292 12.995 ( 0.000 -0.818 5.715) 5.773 17.621 ( 0.000 20.247 10.150) 22.649 18.007 ( 0.000 15.534 9.259) 18.084 18.651 ( 0.000 -4.721 -4.504) 6.525 18.757 ( 0.000 -7.785 -2.073) 8.057 19.800 ( 0.000 -2.085 -11.475) 11.663 19.867 ( 0.000 -4.070 -8.116) 9.079 19.888 ( 0.000 -3.400 -13.140) 13.573 19.975 ( 0.000 -6.083 -6.583) 8.963 22.725 ( 0.000 2.075 2.224) 3.041 22.830 ( 0.000 1.468 2.442) 2.849 22.949 ( 0.000 -2.621 -2.546) 3.654 23.120 ( 0.000 -6.314 -6.656) 9.175 24.333 ( 0.000 14.061 7.459) 15.917 24.396 ( 0.000 10.079 5.968) 11.713 24.489 ( 0.000 8.419 10.282) 13.289 24.559 ( 0.000 7.127 8.362) 10.987 104.725 ( 0.000 0.438 0.210) 0.486 104.745 ( 0.000 -0.247 -0.086) 0.262 104.770 ( 0.000 -0.491 0.777) 0.919 104.813 ( 0.000 -1.955 -0.205) 1.966 106.489 ( 0.000 -2.323 0.251) 2.337 106.502 ( 0.000 -2.103 -0.002) 2.103 106.518 ( 0.000 -2.649 0.101) 2.651 106.525 ( 0.000 -3.910 -0.038) 3.910 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 2.585 6.942 8.827) 11.524 2.015 ( -2.670 10.946 0.204) 11.269 2.525 ( 1.198 -2.560 -4.247) 5.102 2.549 ( 0.370 -10.850 -0.211) 10.859 2.874 ( 0.991 16.067 0.216) 16.099 2.937 ( -1.334 17.937 1.297) 18.033 3.329 ( 0.939 6.433 -0.461) 6.518 3.398 ( -2.074 3.340 -1.286) 4.137 3.633 ( 1.929 -3.934 -6.496) 7.835 3.694 ( -0.776 -2.849 -6.668) 7.292 3.876 ( 0.225 -10.983 -10.586) 15.256 3.906 ( -0.903 -11.487 -11.373) 16.190 4.604 ( 3.261 14.144 4.785) 15.283 4.701 ( 1.011 13.712 2.123) 13.912 4.779 ( -1.966 10.805 -0.083) 10.983 4.847 ( -2.094 7.471 0.228) 7.763 5.019 ( 0.228 5.165 1.656) 5.429 5.066 ( 1.383 2.966 -2.142) 3.911 5.084 ( -2.919 2.570 2.400) 4.570 5.121 ( -0.320 -0.038 0.256) 0.412 5.180 ( 1.529 4.254 2.452) 5.142 5.276 ( 3.206 3.303 1.235) 4.766 5.291 ( -2.859 -0.597 1.231) 3.169 5.360 ( -0.373 4.782 0.660) 4.842 8.010 ( 0.057 1.231 4.638) 4.799 8.016 ( -0.037 1.724 5.414) 5.682 8.409 ( 1.063 -10.058 9.595) 13.941 8.470 ( -1.392 -10.058 9.409) 13.843 8.868 ( 0.564 4.311 -10.746) 11.592 8.898 ( -0.404 5.344 -8.888) 10.379 9.110 ( 1.434 -3.765 -7.308) 8.345 9.178 ( -1.110 -3.025 -6.248) 7.029 9.672 ( 0.683 8.519 -2.195) 8.824 9.717 ( -0.996 7.552 -1.452) 7.754 10.234 ( 1.163 -7.611 -5.194) 9.288 10.326 ( -2.972 -8.907 -6.402) 11.365 10.496 ( 1.427 -0.813 7.732) 7.904 10.524 ( -0.225 0.238 5.914) 5.923 10.888 ( 0.406 -5.096 4.256) 6.652 10.900 ( 0.187 -4.751 4.576) 6.599 11.078 ( 0.278 7.094 -9.060) 11.510 11.090 ( -0.221 8.791 -12.212) 15.049 11.925 ( 0.311 -13.021 -10.927) 17.002 11.939 ( -0.260 -13.496 -10.120) 16.871 12.722 ( 0.825 7.603 12.119) 14.330 12.760 ( -0.682 8.154 12.288) 14.763 12.994 ( 0.036 -2.053 4.931) 5.341 12.995 ( -0.015 -1.108 5.533) 5.643 17.671 ( 4.847 19.587 9.771) 22.420 17.942 ( -5.905 16.243 8.956) 19.466 18.674 ( 1.945 -5.293 -3.669) 6.728 18.747 ( -1.010 -7.342 -2.131) 7.712 19.801 ( 0.183 -1.813 -11.507) 11.651 19.836 ( -1.660 -2.207 -10.979) 11.321 19.921 ( 1.868 -5.198 -9.818) 11.265 19.970 ( -0.543 -6.151 -7.022) 9.351 22.733 ( 0.833 2.226 2.292) 3.301 22.800 ( -2.201 1.903 2.347) 3.738 22.988 ( 3.155 -3.491 -3.146) 5.661 23.102 ( -1.740 -5.975 -6.134) 8.738 24.341 ( 0.781 13.607 7.526) 15.569 24.385 ( -0.975 10.899 6.716) 12.839 24.500 ( 0.996 8.025 9.509) 12.482 24.549 ( -0.966 7.220 8.396) 11.115 104.729 ( 0.433 0.398 0.286) 0.654 104.749 ( 0.034 -0.115 0.033) 0.124 104.771 ( 0.309 -0.777 0.529) 0.990 104.805 ( -0.713 -1.810 -0.171) 1.953 106.491 ( 0.202 -2.304 0.223) 2.323 106.500 ( -0.143 -2.167 0.046) 2.172 106.519 ( 0.074 -2.820 0.064) 2.822 106.524 ( -0.093 -3.727 -0.032) 3.728 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -3.576 9.608 3.953) 10.988 1.949 ( 3.576 9.608 3.953) 10.988 2.547 ( -0.698 -7.999 -1.933) 8.259 2.547 ( 0.698 -7.999 -1.933) 8.259 2.903 ( -1.823 17.458 0.920) 17.577 2.903 ( 1.823 17.458 0.920) 17.577 3.357 ( -1.810 5.031 -1.100) 5.459 3.357 ( 1.810 5.031 -1.100) 5.459 3.670 ( -1.584 -3.299 -6.376) 7.352 3.670 ( 1.584 -3.299 -6.376) 7.352 3.887 ( -0.837 -11.344 -11.101) 15.894 3.887 ( 0.837 -11.344 -11.101) 15.894 4.678 ( -3.442 15.171 4.148) 16.100 4.678 ( 3.442 15.171 4.148) 16.100 4.787 ( -2.949 8.044 -0.290) 8.573 4.787 ( 2.949 8.044 -0.290) 8.573 5.036 ( -1.648 4.406 1.566) 4.958 5.036 ( 1.648 4.406 1.566) 4.958 5.101 ( -1.649 1.392 -1.079) 2.413 5.101 ( 1.649 1.392 -1.079) 2.413 5.228 ( -3.051 1.400 1.990) 3.903 5.228 ( 3.051 1.400 1.990) 3.903 5.333 ( -2.221 4.066 1.026) 4.746 5.333 ( 2.221 4.066 1.026) 4.746 8.013 ( -0.214 1.433 5.078) 5.281 8.013 ( 0.214 1.433 5.078) 5.281 8.437 ( -1.662 -10.031 9.506) 13.919 8.437 ( 1.662 -10.031 9.506) 13.919 8.884 ( -0.884 4.976 -9.807) 11.032 8.884 ( 0.884 4.976 -9.807) 11.032 9.146 ( -1.905 -3.591 -6.801) 7.923 9.146 ( 1.905 -3.591 -6.801) 7.923 9.693 ( -1.262 8.032 -1.870) 8.343 9.693 ( 1.262 8.032 -1.870) 8.343 10.270 ( -2.391 -8.119 -5.466) 10.075 10.270 ( 2.391 -8.119 -5.466) 10.075 10.517 ( -0.611 -0.263 6.826) 6.858 10.517 ( 0.611 -0.263 6.826) 6.858 10.898 ( -0.397 -5.125 4.073) 6.559 10.898 ( 0.397 -5.125 4.073) 6.559 11.084 ( -0.323 7.963 -10.606) 13.267 11.084 ( 0.323 7.963 -10.606) 13.267 11.932 ( -0.402 -13.289 -10.490) 16.935 11.932 ( 0.402 -13.289 -10.490) 16.935 12.742 ( -1.077 7.862 12.217) 14.568 12.742 ( 1.077 7.862 12.217) 14.568 12.995 ( -0.051 -1.569 5.240) 5.470 12.995 ( 0.051 -1.569 5.240) 5.470 17.800 ( -7.451 17.943 9.074) 21.443 17.800 ( 7.451 17.943 9.074) 21.443 18.716 ( -2.010 -6.387 -2.564) 7.170 18.716 ( 2.010 -6.387 -2.564) 7.170 19.811 ( -0.830 -1.502 -11.527) 11.654 19.811 ( 0.830 -1.502 -11.527) 11.654 19.953 ( -1.242 -6.046 -8.141) 10.217 19.953 ( 1.242 -6.046 -8.141) 10.217 22.759 ( -1.756 2.318 2.369) 3.751 22.759 ( 1.756 2.318 2.369) 3.751 23.053 ( -3.034 -4.960 -4.743) 7.503 23.053 ( 3.034 -4.960 -4.743) 7.503 24.362 ( -1.190 12.400 7.446) 14.513 24.362 ( 1.190 12.400 7.446) 14.513 24.524 ( -1.340 7.507 8.667) 11.544 24.524 ( 1.340 7.507 8.667) 11.544 104.741 ( -0.651 0.221 0.340) 0.767 104.741 ( 0.651 0.221 0.340) 0.767 104.786 ( -1.038 -1.398 -0.012) 1.741 104.786 ( 1.038 -1.398 -0.012) 1.741 106.496 ( -0.264 -2.251 0.146) 2.271 106.496 ( 0.264 -2.251 0.146) 2.271 106.521 ( -0.140 -3.274 -0.000) 3.277 106.521 ( 0.140 -3.274 -0.000) 3.277 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 9.954 8.191) 12.891 2.203 ( 0.000 -0.811 0.362) 0.888 2.333 ( 0.000 -3.209 1.711) 3.636 2.429 ( 0.000 -5.972 -2.520) 6.481 3.236 ( 0.000 18.159 -5.872) 19.085 3.288 ( 0.000 14.229 -4.031) 14.789 3.443 ( 0.000 3.014 -3.119) 4.337 3.468 ( 0.000 1.717 -4.637) 4.945 3.527 ( 0.000 -3.851 -4.266) 5.747 3.593 ( 0.000 -14.733 -8.149) 16.837 3.642 ( 0.000 -3.357 -6.127) 6.987 3.681 ( 0.000 -9.424 -5.933) 11.136 4.799 ( 0.000 8.116 4.824) 9.441 4.868 ( 0.000 4.844 0.630) 4.885 4.898 ( 0.000 -0.419 1.113) 1.190 4.933 ( 0.000 -0.522 0.399) 0.657 5.119 ( 0.000 2.667 1.397) 3.010 5.120 ( 0.000 1.791 -1.462) 2.312 5.172 ( 0.000 4.950 0.241) 4.956 5.178 ( 0.000 1.293 0.131) 1.300 5.192 ( 0.000 0.205 0.925) 0.947 5.267 ( 0.000 -3.694 0.633) 3.748 5.344 ( 0.000 5.813 2.707) 6.412 5.419 ( 0.000 -0.389 1.982) 2.020 8.071 ( 0.000 4.682 8.132) 9.384 8.104 ( 0.000 6.003 9.157) 10.949 8.209 ( 0.000 -7.505 10.686) 13.058 8.277 ( 0.000 -9.315 10.878) 14.321 8.941 ( 0.000 3.182 -12.085) 12.497 8.984 ( 0.000 0.357 -10.173) 10.179 9.056 ( 0.000 1.608 -10.515) 10.637 9.123 ( 0.000 -3.458 -9.160) 9.791 9.873 ( 0.000 10.738 -2.055) 10.933 9.882 ( 0.000 7.396 0.080) 7.396 10.053 ( 0.000 -7.852 -0.682) 7.881 10.124 ( 0.000 -11.937 -3.663) 12.486 10.529 ( 0.000 4.651 7.176) 8.551 10.567 ( 0.000 2.539 4.410) 5.089 10.733 ( 0.000 -7.259 7.812) 10.664 10.739 ( 0.000 -6.417 5.755) 8.619 11.333 ( 0.000 14.595 -15.023) 20.945 11.350 ( 0.000 13.775 -15.361) 20.633 11.642 ( 0.000 -13.879 -13.931) 19.664 11.645 ( 0.000 -14.865 -13.390) 20.006 12.845 ( 0.000 5.228 10.024) 11.305 12.898 ( 0.000 3.803 10.406) 11.080 12.940 ( 0.000 -2.427 8.029) 8.388 12.971 ( 0.000 -1.869 8.760) 8.957 18.034 ( 0.000 19.424 9.282) 21.528 18.307 ( 0.000 13.476 8.130) 15.739 18.410 ( 0.000 -16.290 5.792) 17.289 18.562 ( 0.000 -10.943 4.150) 11.703 19.779 ( 0.000 0.452 -12.500) 12.508 19.808 ( 0.000 -2.036 -11.290) 11.472 19.873 ( 0.000 0.289 -13.234) 13.237 19.893 ( 0.000 -2.071 -9.379) 9.605 22.796 ( 0.000 4.278 -0.738) 4.341 22.880 ( 0.000 3.668 -0.983) 3.798 22.881 ( 0.000 -3.747 -2.033) 4.263 22.986 ( 0.000 -6.245 -4.533) 7.716 24.552 ( 0.000 4.716 7.699) 9.028 24.553 ( 0.000 6.586 7.904) 10.288 24.596 ( 0.000 2.328 9.359) 9.644 24.637 ( 0.000 0.256 8.537) 8.541 104.734 ( 0.000 0.405 0.168) 0.438 104.740 ( 0.000 -0.248 0.068) 0.257 104.767 ( 0.000 0.200 0.349) 0.402 104.780 ( 0.000 -1.127 0.039) 1.128 106.458 ( 0.000 -0.598 0.237) 0.643 106.467 ( 0.000 -1.451 0.111) 1.455 106.475 ( 0.000 -0.702 0.034) 0.703 106.479 ( 0.000 -1.081 -0.004) 1.081 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.705 9.827 6.461) 12.330 2.203 ( -0.775 4.926 -0.120) 4.989 2.323 ( -0.215 -7.896 2.380) 8.250 2.406 ( -2.223 -7.196 -1.663) 7.713 3.238 ( 0.463 17.155 -5.294) 17.960 3.282 ( -0.781 14.924 -3.837) 15.429 3.438 ( 0.006 1.844 -4.493) 4.857 3.462 ( -0.524 2.379 -4.225) 4.877 3.555 ( 2.088 -3.504 -4.481) 6.060 3.600 ( 0.643 -12.609 -6.572) 14.233 3.634 ( -0.741 -4.469 -6.716) 8.101 3.667 ( -1.340 -9.757 -6.230) 11.654 4.819 ( 1.900 6.681 4.120) 8.076 4.873 ( 0.382 4.026 0.788) 4.120 4.890 ( -0.662 0.572 1.127) 1.427 4.918 ( -1.510 0.103 0.946) 1.785 5.116 ( -0.306 2.017 0.184) 2.048 5.124 ( 0.573 1.987 -0.608) 2.155 5.157 ( -0.404 4.261 0.665) 4.332 5.171 ( -0.386 3.374 -0.803) 3.490 5.245 ( 2.156 0.518 0.436) 2.260 5.264 ( 1.097 -1.654 2.255) 3.004 5.333 ( -0.801 3.941 2.345) 4.656 5.405 ( -1.523 -1.044 1.963) 2.695 8.075 ( 0.456 4.966 8.415) 9.782 8.100 ( -0.438 6.006 9.169) 10.970 8.216 ( 0.732 -8.015 10.657) 13.355 8.264 ( -1.134 -9.129 10.847) 14.222 8.955 ( 1.321 3.623 -11.898) 12.508 8.996 ( 0.785 2.157 -10.362) 10.613 9.050 ( -0.236 -0.551 -10.543) 10.560 9.108 ( -1.476 -3.568 -9.381) 10.145 9.872 ( -0.009 10.386 -1.829) 10.546 9.879 ( -0.246 7.974 -0.314) 7.984 10.057 ( 0.420 -8.525 -0.828) 8.576 10.105 ( -1.610 -11.206 -2.833) 11.670 10.547 ( 1.499 4.869 6.558) 8.305 10.574 ( 0.492 3.795 4.327) 5.777 10.726 ( -0.468 -7.877 7.540) 10.914 10.735 ( -0.473 -7.560 6.198) 9.787 11.336 ( 0.261 14.481 -15.090) 20.916 11.348 ( -0.213 13.914 -15.336) 20.709 11.642 ( -0.008 -14.105 -13.817) 19.744 11.644 ( -0.074 -14.752 -13.444) 19.959 12.854 ( 0.863 5.186 10.173) 11.451 12.893 ( -0.551 4.516 10.615) 11.549 12.943 ( 0.343 -2.845 7.888) 8.393 12.966 ( -0.478 -2.111 8.578) 8.847 18.071 ( 3.492 18.750 9.028) 21.101 18.262 ( -4.095 14.591 8.119) 17.192 18.434 ( 2.206 -15.743 5.678) 16.880 18.542 ( -1.975 -12.034 4.514) 13.004 19.792 ( 1.160 0.841 -12.627) 12.708 19.817 ( 0.744 -1.071 -11.042) 11.118 19.865 ( -0.714 -0.578 -12.991) 13.023 19.883 ( -0.885 -2.387 -9.635) 9.965 22.807 ( 0.984 4.455 -0.763) 4.626 22.860 ( -1.215 3.695 -1.091) 4.040 22.905 ( 1.556 -4.049 -2.318) 4.918 22.973 ( -1.225 -6.130 -4.215) 7.540 24.551 ( 0.126 5.663 7.990) 9.794 24.557 ( 0.143 6.198 7.913) 10.052 24.599 ( 0.352 1.630 9.099) 9.250 24.629 ( -0.726 0.407 8.537) 8.578 104.738 ( 0.406 0.452 0.196) 0.638 104.746 ( 0.492 -0.261 0.041) 0.558 104.762 ( -0.380 0.097 0.337) 0.517 104.775 ( -0.497 -1.069 0.045) 1.180 106.460 ( 0.234 -0.596 0.200) 0.671 106.468 ( 0.106 -1.236 0.070) 1.243 106.473 ( -0.158 -0.857 0.086) 0.875 106.477 ( -0.169 -1.149 0.019) 1.162 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -4.376 9.664 2.590) 10.920 2.147 ( 4.376 9.664 2.590) 10.920 2.352 ( -2.682 -9.987 0.599) 10.358 2.352 ( 2.682 -9.987 0.599) 10.358 3.258 ( -1.382 15.849 -4.256) 16.469 3.258 ( 1.382 15.849 -4.256) 16.469 3.448 ( -0.766 1.868 -4.837) 5.241 3.448 ( 0.766 1.868 -4.837) 5.241 3.595 ( -1.602 -3.908 -4.209) 5.963 3.595 ( 1.602 -3.908 -4.209) 5.963 3.636 ( -1.375 -10.719 -7.481) 13.143 3.636 ( 1.375 -10.719 -7.481) 13.143 4.866 ( -2.193 3.783 2.444) 5.009 4.866 ( 2.193 3.783 2.444) 5.009 4.885 ( -0.974 1.616 1.059) 2.164 4.885 ( 0.974 1.616 1.059) 2.164 5.122 ( -0.777 3.659 -0.013) 3.740 5.122 ( 0.777 3.659 -0.013) 3.740 5.159 ( -0.993 1.287 -0.788) 1.807 5.159 ( 0.993 1.287 -0.788) 1.807 5.273 ( -1.585 4.162 2.097) 4.922 5.273 ( 1.585 4.162 2.097) 4.922 5.357 ( -2.962 -2.054 1.860) 4.056 5.357 ( 2.962 -2.054 1.860) 4.056 8.088 ( -0.707 5.592 8.929) 10.560 8.088 ( 0.707 5.592 8.929) 10.560 8.238 ( -1.346 -8.699 10.733) 13.881 8.238 ( 1.346 -8.699 10.733) 13.881 8.987 ( -1.529 4.516 -11.332) 12.294 8.987 ( 1.529 4.516 -11.332) 12.294 9.070 ( -2.000 -3.698 -9.887) 10.744 9.070 ( 2.000 -3.698 -9.887) 10.744 9.874 ( -0.211 9.291 -1.157) 9.366 9.874 ( 0.211 9.291 -1.157) 9.366 10.074 ( -1.286 -9.872 -1.529) 10.072 10.074 ( 1.286 -9.872 -1.529) 10.072 10.573 ( -0.790 5.323 5.168) 7.462 10.573 ( 0.790 5.323 5.168) 7.462 10.724 ( -0.401 -8.818 6.921) 11.217 10.724 ( 0.401 -8.818 6.921) 11.217 11.342 ( -0.335 14.211 -15.235) 20.836 11.342 ( 0.335 14.211 -15.235) 20.836 11.642 ( -0.052 -14.485 -13.600) 19.869 11.642 ( 0.052 -14.485 -13.600) 19.869 12.875 ( -1.085 5.045 10.500) 11.700 12.875 ( 1.085 5.045 10.500) 11.700 12.954 ( -0.665 -2.666 8.144) 8.595 12.954 ( 0.665 -2.666 8.144) 8.595 18.163 ( -5.271 16.901 8.477) 19.629 18.163 ( 5.271 16.901 8.477) 19.629 18.489 ( -2.980 -14.169 5.185) 15.379 18.489 ( 2.980 -14.169 5.185) 15.379 19.817 ( -1.036 1.483 -12.298) 12.430 19.817 ( 1.036 1.483 -12.298) 12.430 19.863 ( -0.857 -2.997 -10.795) 11.236 19.863 ( 0.857 -2.997 -10.795) 11.236 22.832 ( -1.461 4.605 -0.881) 4.911 22.832 ( 1.461 4.605 -0.881) 4.911 22.941 ( -1.855 -5.611 -3.363) 6.800 22.941 ( 1.855 -5.611 -3.363) 6.800 24.556 ( -0.238 6.155 8.135) 10.204 24.556 ( 0.238 6.155 8.135) 10.204 24.612 ( -0.891 0.801 8.654) 8.736 24.612 ( 0.891 0.801 8.654) 8.736 104.748 ( -0.495 0.514 0.202) 0.742 104.748 ( 0.495 0.514 0.202) 0.742 104.763 ( -0.620 -0.910 0.104) 1.106 104.763 ( 0.620 -0.910 0.104) 1.106 106.466 ( -0.294 -0.588 0.104) 0.665 106.466 ( 0.294 -0.588 0.104) 0.665 106.473 ( -0.202 -1.335 0.083) 1.353 106.473 ( 0.202 -1.335 0.083) 1.353 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 0.000 16.036) 16.036 1.521 ( 0.000 0.000 -8.301) 8.301 1.798 ( 0.000 0.000 26.355) 26.355 2.141 ( 0.000 0.000 7.981) 7.981 2.183 ( 0.000 0.000 16.963) 16.963 2.216 ( 0.000 0.000 1.867) 1.867 2.700 ( 0.000 0.000 -17.259) 17.259 2.731 ( 0.000 0.000 -8.298) 8.298 3.219 ( 0.000 0.000 14.044) 14.044 3.421 ( 0.000 0.000 16.892) 16.892 3.570 ( 0.000 0.000 19.822) 19.822 3.736 ( 0.000 0.000 11.948) 11.948 3.777 ( 0.000 0.000 -9.549) 9.549 3.914 ( 0.000 0.000 -9.507) 9.507 3.952 ( 0.000 0.000 0.931) 0.931 4.050 ( 0.000 0.000 -3.213) 3.213 4.148 ( 0.000 0.000 2.694) 2.694 4.249 ( 0.000 0.000 -2.068) 2.068 4.453 ( 0.000 0.000 -16.038) 16.038 4.512 ( 0.000 0.000 -19.210) 19.210 5.270 ( 0.000 0.000 0.033) 0.033 5.412 ( 0.000 0.000 -6.685) 6.685 5.537 ( 0.000 0.000 1.559) 1.559 5.679 ( 0.000 0.000 -7.288) 7.288 8.208 ( 0.000 0.000 2.254) 2.254 8.231 ( 0.000 0.000 1.918) 1.918 8.523 ( 0.000 0.000 -7.582) 7.582 8.564 ( 0.000 0.000 -8.743) 8.743 8.643 ( 0.000 0.000 -0.128) 0.128 8.685 ( 0.000 0.000 -1.437) 1.437 9.810 ( 0.000 0.000 4.589) 4.589 9.904 ( 0.000 0.000 7.077) 7.077 9.909 ( 0.000 0.000 1.538) 1.538 9.910 ( 0.000 0.000 1.607) 1.607 10.015 ( 0.000 0.000 2.763) 2.763 10.029 ( 0.000 0.000 2.033) 2.033 10.069 ( 0.000 0.000 2.587) 2.587 10.151 ( 0.000 0.000 -9.581) 9.581 11.146 ( 0.000 0.000 -1.080) 1.080 11.273 ( 0.000 0.000 -8.106) 8.106 11.572 ( 0.000 0.000 11.549) 11.549 11.806 ( 0.000 0.000 -1.970) 1.970 11.893 ( 0.000 0.000 2.045) 2.045 11.974 ( 0.000 0.000 -0.379) 0.379 12.720 ( 0.000 0.000 10.641) 10.641 12.976 ( 0.000 0.000 10.923) 10.923 13.232 ( 0.000 0.000 -14.067) 14.067 13.308 ( 0.000 0.000 -5.066) 5.066 15.934 ( 0.000 0.000 1.461) 1.461 15.948 ( 0.000 0.000 0.917) 0.917 16.449 ( 0.000 0.000 -1.521) 1.521 16.449 ( 0.000 0.000 -1.644) 1.644 21.450 ( 0.000 0.000 2.678) 2.678 21.534 ( 0.000 0.000 -1.131) 1.131 21.801 ( 0.000 0.000 0.687) 0.687 21.890 ( 0.000 0.000 -3.671) 3.671 22.007 ( 0.000 0.000 13.355) 13.355 22.100 ( 0.000 0.000 8.643) 8.643 22.248 ( 0.000 0.000 9.609) 9.609 22.556 ( 0.000 0.000 -6.235) 6.235 23.139 ( 0.000 0.000 3.365) 3.365 23.321 ( 0.000 0.000 -4.412) 4.412 23.523 ( 0.000 0.000 -7.776) 7.776 23.557 ( 0.000 0.000 -9.252) 9.252 104.730 ( 0.000 0.000 0.777) 0.777 104.762 ( 0.000 0.000 -0.611) 0.611 104.958 ( 0.000 0.000 0.339) 0.339 104.998 ( 0.000 0.000 -1.380) 1.380 106.769 ( 0.000 0.000 0.368) 0.368 106.780 ( 0.000 0.000 -0.271) 0.271 106.891 ( 0.000 0.000 1.736) 1.736 107.017 ( 0.000 0.000 -4.554) 4.554 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 14.208 0.000 10.738) 17.810 1.537 ( -0.284 0.000 -6.858) 6.864 1.850 ( 4.929 0.000 25.063) 25.543 2.060 ( -4.221 0.000 9.025) 9.964 2.119 ( -5.810 0.000 18.558) 19.446 2.195 ( -4.014 0.000 2.106) 4.533 2.708 ( 0.771 0.000 -16.211) 16.229 2.734 ( 0.034 0.000 -10.229) 10.229 3.256 ( 3.560 0.000 14.049) 14.493 3.424 ( -0.865 0.000 13.765) 13.792 3.537 ( -0.782 0.000 20.871) 20.886 3.709 ( -3.496 0.000 12.896) 13.362 3.806 ( 2.629 0.000 -8.990) 9.366 3.904 ( -0.987 0.000 -8.490) 8.547 3.967 ( 1.474 0.000 1.192) 1.896 4.041 ( -1.101 0.000 -1.066) 1.532 4.160 ( 1.334 0.000 0.620) 1.471 4.235 ( -1.412 0.000 -2.036) 2.478 4.456 ( 0.277 0.000 -16.076) 16.078 4.494 ( -1.468 0.000 -17.696) 17.757 5.267 ( 0.808 0.000 0.712) 1.077 5.393 ( -2.820 0.000 -5.193) 5.910 5.584 ( 4.215 0.000 -2.794) 5.057 5.681 ( -0.068 0.000 -8.140) 8.141 8.212 ( 0.341 0.000 2.224) 2.250 8.228 ( -0.303 0.000 1.989) 2.012 8.529 ( 0.552 0.000 -7.775) 7.794 8.558 ( -0.566 0.000 -8.593) 8.611 8.655 ( 1.048 0.000 -0.189) 1.065 8.685 ( -0.083 0.000 -1.133) 1.136 9.829 ( 1.740 0.000 4.190) 4.537 9.897 ( -0.826 0.000 6.239) 6.294 9.909 ( 0.009 0.000 1.560) 1.560 9.909 ( -0.014 0.000 1.602) 1.602 10.017 ( 0.195 0.000 2.648) 2.655 10.027 ( -0.194 0.000 2.132) 2.141 10.072 ( 0.477 0.000 1.633) 1.701 10.131 ( -1.771 0.000 -6.994) 7.215 11.161 ( 1.418 0.000 -2.471) 2.849 11.249 ( -2.142 0.000 -7.222) 7.533 11.609 ( 3.443 0.000 10.682) 11.223 11.774 ( -3.036 0.000 2.157) 3.724 11.903 ( 1.028 0.000 0.183) 1.044 11.961 ( -1.188 0.000 -0.826) 1.447 12.744 ( 2.365 0.000 11.327) 11.571 12.918 ( -4.966 0.000 12.222) 13.192 13.249 ( 1.577 0.000 -13.255) 13.349 13.307 ( -0.428 0.000 -7.251) 7.264 15.936 ( 0.195 0.000 1.390) 1.404 15.946 ( -0.191 0.000 1.005) 1.023 16.449 ( -0.003 0.000 -1.558) 1.558 16.449 ( -0.009 0.000 -1.624) 1.624 21.460 ( 0.996 0.000 2.301) 2.508 21.519 ( -1.365 0.000 -0.278) 1.393 21.817 ( 1.432 0.000 -0.247) 1.453 21.879 ( -1.060 0.000 -3.214) 3.384 22.051 ( 4.380 0.000 12.441) 13.190 22.122 ( 1.992 0.000 8.409) 8.641 22.229 ( -1.711 0.000 9.493) 9.646 22.433 ( -10.391 0.000 -0.027) 10.391 23.173 ( 2.848 0.000 1.063) 3.040 23.294 ( -2.423 0.000 -3.519) 4.272 23.530 ( 0.589 0.000 -8.038) 8.059 23.553 ( -0.369 0.000 -9.091) 9.098 104.748 ( 1.734 0.000 0.938) 1.971 104.786 ( 1.534 0.000 -0.734) 1.701 104.942 ( -0.941 0.000 0.094) 0.946 104.986 ( -1.342 0.000 -1.772) 2.223 106.792 ( 1.273 0.000 0.088) 1.276 106.806 ( 2.626 0.000 -0.563) 2.686 106.887 ( 0.123 0.000 0.851) 0.860 106.994 ( -2.263 0.000 -4.368) 4.920 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -12.264 0.000 1.395) 12.343 1.413 ( 12.264 0.000 1.395) 12.343 1.979 ( -7.397 0.000 21.931) 23.145 1.979 ( 7.397 0.000 21.931) 23.145 2.077 ( -5.630 0.000 5.331) 7.753 2.077 ( 5.630 0.000 5.331) 7.753 2.726 ( -0.805 0.000 -13.626) 13.649 2.726 ( 0.805 0.000 -13.626) 13.649 3.349 ( -5.190 0.000 13.689) 14.640 3.349 ( 5.190 0.000 13.689) 14.640 3.604 ( -5.901 0.000 16.396) 17.426 3.604 ( 5.901 0.000 16.396) 17.426 3.866 ( -2.804 0.000 -8.000) 8.477 3.866 ( 2.804 0.000 -8.000) 8.477 4.006 ( -2.139 0.000 1.075) 2.394 4.006 ( 2.139 0.000 1.075) 2.394 4.197 ( -2.134 0.000 -1.541) 2.632 4.197 ( 2.134 0.000 -1.541) 2.632 4.467 ( -0.998 0.000 -16.071) 16.102 4.467 ( 0.998 0.000 -16.071) 16.102 5.317 ( -3.851 0.000 -1.525) 4.142 5.317 ( 3.851 0.000 -1.525) 4.142 5.659 ( -2.498 0.000 -7.680) 8.076 5.659 ( 2.498 0.000 -7.680) 8.076 8.220 ( -0.458 0.000 2.127) 2.175 8.220 ( 0.458 0.000 2.127) 2.175 8.543 ( -0.793 0.000 -8.205) 8.243 8.543 ( 0.793 0.000 -8.205) 8.243 8.676 ( -0.870 0.000 -0.537) 1.022 8.676 ( 0.870 0.000 -0.537) 1.022 9.869 ( -1.896 0.000 4.492) 4.876 9.869 ( 1.896 0.000 4.492) 4.876 9.909 ( -0.019 0.000 1.590) 1.590 9.909 ( 0.019 0.000 1.590) 1.590 10.022 ( -0.275 0.000 2.381) 2.397 10.022 ( 0.275 0.000 2.381) 2.397 10.093 ( -1.654 0.000 -1.766) 2.419 10.093 ( 1.654 0.000 -1.766) 2.419 11.200 ( -2.403 0.000 -5.147) 5.681 11.200 ( 2.403 0.000 -5.147) 5.681 11.694 ( -4.564 0.000 7.741) 8.986 11.694 ( 4.564 0.000 7.741) 8.986 11.931 ( -1.603 0.000 -1.097) 1.942 11.931 ( 1.603 0.000 -1.097) 1.942 12.815 ( -4.650 0.000 12.565) 13.398 12.815 ( 4.650 0.000 12.565) 13.398 13.285 ( -1.700 0.000 -10.796) 10.929 13.285 ( 1.700 0.000 -10.796) 10.929 15.941 ( -0.273 0.000 1.206) 1.237 15.941 ( 0.273 0.000 1.206) 1.237 16.449 ( -0.008 0.000 -1.599) 1.599 16.449 ( 0.008 0.000 -1.599) 1.599 21.487 ( -1.604 0.000 1.219) 2.015 21.487 ( 1.604 0.000 1.219) 2.015 21.850 ( -1.697 0.000 -1.938) 2.576 21.850 ( 1.697 0.000 -1.938) 2.576 22.150 ( -2.157 0.000 9.112) 9.364 22.150 ( 2.157 0.000 9.112) 9.364 22.232 ( -6.575 0.000 8.044) 10.390 22.232 ( 6.575 0.000 8.044) 10.390 23.236 ( -3.172 0.000 -1.626) 3.564 23.236 ( 3.172 0.000 -1.626) 3.564 23.543 ( -0.616 0.000 -8.609) 8.631 23.543 ( 0.616 0.000 -8.609) 8.631 104.787 ( -1.570 0.000 0.567) 1.669 104.787 ( 1.570 0.000 0.567) 1.669 104.950 ( -1.713 0.000 -1.560) 2.317 104.950 ( 1.713 0.000 -1.560) 2.317 106.820 ( -1.113 0.000 0.489) 1.216 106.820 ( 1.113 0.000 0.489) 1.216 106.931 ( -3.629 0.000 -3.077) 4.758 106.931 ( 3.629 0.000 -3.077) 4.758 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 7.086 13.631) 15.363 1.424 ( 0.000 -2.559 1.709) 3.077 2.032 ( 0.000 9.941 12.292) 15.809 2.094 ( 0.000 1.409 11.009) 11.099 2.247 ( 0.000 9.315 4.661) 10.416 2.442 ( 0.000 17.481 12.542) 21.514 2.850 ( 0.000 13.279 -16.927) 21.514 2.937 ( 0.000 17.343 -8.285) 19.221 3.225 ( 0.000 -0.046 12.075) 12.075 3.385 ( 0.000 -1.431 15.896) 15.961 3.556 ( 0.000 -0.807 15.222) 15.243 3.659 ( 0.000 -3.415 14.748) 15.138 3.746 ( 0.000 -1.940 -6.703) 6.978 3.867 ( 0.000 -3.457 -9.814) 10.405 4.090 ( 0.000 11.094 1.337) 11.175 4.155 ( 0.000 8.409 -3.675) 9.177 4.332 ( 0.000 12.250 -1.797) 12.381 4.350 ( 0.000 8.310 -2.544) 8.691 4.433 ( 0.000 -0.367 -14.020) 14.025 4.532 ( 0.000 2.396 -15.201) 15.389 5.259 ( 0.000 -1.009 0.277) 1.046 5.399 ( 0.000 -1.157 -6.110) 6.218 5.495 ( 0.000 -3.717 1.612) 4.052 5.612 ( 0.000 -5.955 -5.787) 8.304 8.191 ( 0.000 -1.929 -0.525) 1.999 8.194 ( 0.000 -3.007 -0.453) 3.041 8.436 ( 0.000 -5.342 -3.884) 6.605 8.466 ( 0.000 -5.579 -4.868) 7.404 8.755 ( 0.000 7.645 -2.145) 7.941 8.799 ( 0.000 7.634 -3.532) 8.412 9.732 ( 0.000 -8.369 0.595) 8.390 9.758 ( 0.000 -10.720 0.512) 10.732 9.877 ( 0.000 -8.193 6.076) 10.200 9.894 ( 0.000 -4.010 7.949) 8.903 9.917 ( 0.000 1.838 1.501) 2.373 10.026 ( 0.000 2.663 -0.465) 2.703 10.171 ( 0.000 0.368 -8.642) 8.650 10.186 ( 0.000 5.114 -1.536) 5.339 11.195 ( 0.000 4.007 -1.454) 4.263 11.278 ( 0.000 0.433 -5.987) 6.003 11.550 ( 0.000 -2.725 11.848) 12.157 11.721 ( 0.000 -7.561 1.575) 7.723 11.969 ( 0.000 7.718 4.287) 8.829 12.061 ( 0.000 7.965 1.515) 8.108 12.686 ( 0.000 -3.413 9.471) 10.067 12.881 ( 0.000 -8.010 11.003) 13.610 13.186 ( 0.000 -3.838 -11.993) 12.593 13.261 ( 0.000 -4.191 -5.393) 6.830 16.103 ( 0.000 14.179 2.531) 14.403 16.302 ( 0.000 30.849 -9.934) 32.409 16.597 ( 0.000 13.625 0.262) 13.628 16.707 ( 0.000 23.434 -5.476) 24.066 21.090 ( 0.000 -24.547 2.773) 24.703 21.141 ( 0.000 -26.173 1.048) 26.194 21.386 ( 0.000 -26.044 3.022) 26.218 21.505 ( 0.000 -25.652 -2.811) 25.805 22.381 ( 0.000 20.774 10.509) 23.281 22.492 ( 0.000 25.767 7.111) 26.730 22.603 ( 0.000 20.960 5.294) 21.618 22.833 ( 0.000 17.631 -4.426) 18.178 23.168 ( 0.000 3.269 3.693) 4.932 23.308 ( 0.000 0.004 -3.394) 3.394 23.545 ( 0.000 2.828 -6.623) 7.202 23.612 ( 0.000 5.768 -8.222) 10.043 104.728 ( 0.000 -0.156 0.783) 0.798 104.760 ( 0.000 -0.187 -0.607) 0.635 104.937 ( 0.000 -1.837 0.827) 2.015 104.984 ( 0.000 -1.319 -1.371) 1.903 106.750 ( 0.000 -1.778 0.320) 1.807 106.759 ( 0.000 -1.986 -0.198) 1.996 106.863 ( 0.000 -2.661 1.687) 3.151 106.977 ( 0.000 -3.705 -4.041) 5.482 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 12.376 5.119 9.458) 16.396 1.463 ( 2.460 -1.987 0.739) 3.248 1.975 ( -4.758 4.387 13.884) 15.319 2.056 ( -4.439 0.590 12.312) 13.101 2.240 ( 1.384 15.892 8.053) 17.870 2.414 ( -3.214 16.999 9.887) 19.926 2.862 ( 1.234 13.648 -16.007) 21.072 2.928 ( -1.079 16.679 -10.247) 19.605 3.259 ( 3.326 -0.114 12.210) 12.656 3.392 ( 0.007 -1.680 12.819) 12.928 3.525 ( -1.431 0.060 18.062) 18.119 3.638 ( -2.554 -3.380 13.716) 14.355 3.772 ( 2.227 -2.138 -6.744) 7.417 3.855 ( -1.124 -3.493 -8.764) 9.501 4.115 ( 2.477 11.928 1.557) 12.282 4.176 ( 1.457 9.137 -3.157) 9.776 4.315 ( -1.583 12.259 -0.648) 12.378 4.329 ( -1.618 7.078 -3.851) 8.219 4.446 ( 1.117 0.390 -13.450) 13.502 4.512 ( -1.756 2.567 -13.955) 14.297 5.258 ( 0.718 -0.804 0.768) 1.324 5.374 ( -2.883 -1.745 -4.446) 5.579 5.533 ( 3.279 -4.595 -2.064) 6.010 5.612 ( -0.198 -6.131 -6.538) 8.965 8.192 ( 0.114 -2.067 -0.507) 2.131 8.195 ( 0.010 -2.832 -0.461) 2.869 8.442 ( 0.570 -5.353 -4.050) 6.737 8.464 ( -0.256 -5.525 -4.760) 7.297 8.764 ( 0.819 7.540 -2.249) 7.911 8.796 ( -0.392 7.514 -3.232) 8.189 9.737 ( 0.469 -8.932 0.629) 8.966 9.755 ( -0.274 -10.530 0.571) 10.549 9.878 ( 0.117 -7.115 6.379) 9.556 9.887 ( -0.403 -4.004 7.293) 8.329 9.938 ( 1.926 1.189 0.669) 2.360 10.019 ( -0.906 2.305 -1.116) 2.716 10.164 ( -0.393 1.509 -6.409) 6.596 10.180 ( -0.611 4.553 -1.870) 4.959 11.203 ( 0.812 3.513 -2.269) 4.260 11.260 ( -1.501 1.033 -5.316) 5.620 11.582 ( 2.898 -3.431 10.564) 11.479 11.703 ( -1.820 -7.006 3.266) 7.941 11.974 ( 0.696 7.661 3.888) 8.619 12.041 ( -1.829 7.834 1.975) 8.283 12.707 ( 2.019 -3.644 10.161) 10.982 12.841 ( -3.477 -6.633 11.665) 13.862 13.201 ( 1.388 -4.049 -11.466) 12.239 13.256 ( -0.614 -4.385 -6.826) 8.136 16.125 ( 2.128 15.791 1.363) 15.992 16.261 ( -3.496 26.758 -6.807) 27.830 16.620 ( 1.950 16.486 -1.530) 16.671 16.694 ( -1.179 22.613 -5.027) 23.195 21.100 ( 0.948 -24.659 2.524) 24.806 21.137 ( -0.435 -25.823 1.264) 25.858 21.397 ( 1.104 -26.150 2.455) 26.288 21.482 ( -2.159 -25.980 -1.708) 26.126 22.416 ( 3.458 20.967 9.932) 23.457 22.506 ( 1.161 25.355 6.884) 26.298 22.592 ( -0.984 21.324 5.270) 21.987 22.731 ( -8.262 18.260 0.466) 20.047 23.198 ( 2.321 2.954 1.186) 3.939 23.288 ( -1.769 0.460 -2.847) 3.383 23.559 ( 1.153 3.436 -6.868) 7.766 23.604 ( -0.713 5.463 -7.988) 9.703 104.745 ( 1.615 -0.272 0.949) 1.893 104.782 ( 1.377 -0.388 -0.671) 1.580 104.925 ( -0.729 -1.587 0.448) 1.803 104.970 ( -1.380 -1.388 -1.625) 2.544 106.769 ( 1.177 -2.148 0.168) 2.455 106.782 ( 2.200 -2.219 -0.415) 3.152 106.859 ( 0.128 -2.601 0.889) 2.751 106.955 ( -2.121 -3.572 -3.809) 5.636 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -8.955 1.430 1.983) 9.283 1.416 ( 8.955 1.430 1.983) 9.283 1.947 ( -3.724 0.534 15.943) 16.381 1.947 ( 3.724 0.534 15.943) 16.381 2.320 ( -5.390 17.878 8.765) 20.627 2.320 ( 5.390 17.878 8.765) 20.627 2.896 ( -1.908 14.888 -13.502) 20.189 2.896 ( 1.908 14.888 -13.502) 20.189 3.343 ( -4.333 -0.508 11.551) 12.347 3.343 ( 4.333 -0.508 11.551) 12.347 3.561 ( -4.212 -1.562 16.312) 16.920 3.561 ( 4.212 -1.562 16.312) 16.920 3.821 ( -2.303 -3.042 -7.521) 8.434 3.821 ( 2.303 -3.042 -7.521) 8.434 4.173 ( -2.365 12.287 0.266) 12.516 4.173 ( 2.365 12.287 0.266) 12.516 4.299 ( -0.802 8.227 -2.913) 8.764 4.299 ( 0.802 8.227 -2.913) 8.764 4.475 ( -1.730 1.750 -12.820) 13.054 4.475 ( 1.730 1.750 -12.820) 13.054 5.303 ( -3.480 -1.317 -1.250) 3.925 5.303 ( 3.480 -1.317 -1.250) 3.925 5.592 ( -2.060 -5.997 -6.067) 8.776 5.592 ( 2.060 -5.997 -6.067) 8.776 8.194 ( -0.083 -2.432 -0.479) 2.480 8.194 ( 0.083 -2.432 -0.479) 2.480 8.455 ( -0.602 -5.413 -4.435) 7.024 8.455 ( 0.602 -5.413 -4.435) 7.024 8.782 ( -0.894 7.413 -2.641) 7.920 8.782 ( 0.894 7.413 -2.641) 7.920 9.748 ( -0.489 -9.910 0.658) 9.943 9.748 ( 0.489 -9.910 0.658) 9.943 9.881 ( -0.206 -5.287 6.826) 8.636 9.881 ( 0.206 -5.287 6.826) 8.636 9.985 ( -2.390 1.417 -1.288) 3.062 9.985 ( 2.390 1.417 -1.288) 3.062 10.166 ( -0.552 3.409 -3.045) 4.604 10.166 ( 0.552 3.409 -3.045) 4.604 11.227 ( -1.578 2.318 -3.913) 4.814 11.227 ( 1.578 2.318 -3.913) 4.814 11.649 ( -3.354 -5.257 7.208) 9.531 11.649 ( 3.354 -5.257 7.208) 9.531 12.000 ( -1.867 7.628 2.938) 8.385 12.000 ( 1.867 7.628 2.938) 8.385 12.765 ( -3.653 -4.630 11.478) 12.904 12.765 ( 3.653 -4.630 11.478) 12.904 13.234 ( -1.567 -4.368 -9.516) 10.588 13.234 ( 1.567 -4.368 -9.516) 10.588 16.185 ( -3.683 20.350 -1.975) 20.775 16.185 ( 3.683 20.350 -1.975) 20.775 16.662 ( -1.971 20.255 -3.730) 20.689 16.662 ( 1.971 20.255 -3.730) 20.689 21.122 ( -1.061 -25.111 1.884) 25.204 21.122 ( 1.061 -25.111 1.884) 25.204 21.432 ( -2.384 -26.286 0.645) 26.402 21.432 ( 2.384 -26.286 0.645) 26.402 22.504 ( -3.367 22.847 7.899) 24.407 22.504 ( 3.367 22.847 7.899) 24.407 22.591 ( -3.047 20.603 4.809) 21.375 22.591 ( 3.047 20.603 4.809) 21.375 23.246 ( -2.336 1.641 -1.320) 3.145 23.246 ( 2.336 1.641 -1.320) 3.145 23.584 ( -1.245 4.587 -7.434) 8.824 23.584 ( 1.245 4.587 -7.434) 8.824 104.781 ( -1.502 -0.489 0.607) 1.693 104.781 ( 1.502 -0.489 0.607) 1.693 104.935 ( -1.733 -1.388 -1.292) 2.569 104.935 ( 1.733 -1.388 -1.292) 2.569 106.794 ( -0.974 -2.392 0.489) 2.628 106.794 ( 0.974 -2.392 0.489) 2.628 106.898 ( -3.244 -3.073 -2.518) 5.129 106.898 ( 3.244 -3.073 -2.518) 5.129 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 12.830 9.047) 15.699 1.477 ( 0.000 7.103 1.702) 7.304 2.109 ( 0.000 2.546 9.191) 9.537 2.194 ( 0.000 7.789 8.628) 11.624 2.578 ( 0.000 15.135 5.198) 16.003 2.789 ( 0.000 12.515 11.443) 16.958 3.178 ( 0.000 16.355 -16.659) 23.345 3.199 ( 0.000 -1.371 10.601) 10.690 3.362 ( 0.000 20.951 -8.034) 22.439 3.412 ( 0.000 3.462 9.001) 9.644 3.579 ( 0.000 3.797 1.334) 4.025 3.683 ( 0.000 7.431 17.224) 18.759 3.728 ( 0.000 1.292 1.520) 1.995 3.806 ( 0.000 -1.583 -9.224) 9.359 4.270 ( 0.000 0.623 -8.103) 8.127 4.318 ( 0.000 5.837 -6.989) 9.106 4.451 ( 0.000 11.340 -4.236) 12.106 4.551 ( 0.000 11.334 -3.938) 11.999 4.631 ( 0.000 11.769 -1.396) 11.851 4.647 ( 0.000 8.644 -3.302) 9.253 5.232 ( 0.000 -1.565 0.941) 1.826 5.361 ( 0.000 -2.971 -3.092) 4.288 5.410 ( 0.000 -3.391 -0.003) 3.391 5.463 ( 0.000 -7.629 -2.736) 8.105 8.123 ( 0.000 -3.699 -4.711) 5.990 8.124 ( 0.000 -4.079 -4.507) 6.078 8.356 ( 0.000 -1.614 -0.828) 1.813 8.391 ( 0.000 -1.373 -2.102) 2.511 8.921 ( 0.000 8.163 -1.860) 8.373 8.965 ( 0.000 8.167 -3.144) 8.752 9.500 ( 0.000 -12.992 0.342) 12.997 9.502 ( 0.000 -13.408 0.141) 13.408 9.699 ( 0.000 -8.513 5.550) 10.162 9.769 ( 0.000 -7.366 6.382) 9.746 9.991 ( 0.000 4.482 -3.915) 5.951 10.106 ( 0.000 2.710 -9.099) 9.494 10.167 ( 0.000 1.535 -3.224) 3.571 10.267 ( 0.000 3.106 -4.121) 5.160 11.260 ( 0.000 0.063 -2.111) 2.112 11.275 ( 0.000 -1.874 -2.700) 3.286 11.468 ( 0.000 -3.521 12.841) 13.315 11.535 ( 0.000 -8.832 8.477) 12.242 12.202 ( 0.000 13.861 7.866) 15.938 12.269 ( 0.000 10.964 4.742) 11.945 12.567 ( 0.000 -8.384 5.540) 10.049 12.683 ( 0.000 -10.539 6.512) 12.389 13.100 ( 0.000 -3.930 -7.232) 8.231 13.161 ( 0.000 -4.798 -5.030) 6.952 16.487 ( 0.000 21.614 6.481) 22.565 16.970 ( 0.000 21.169 4.656) 21.675 17.008 ( 0.000 34.203 -22.053) 40.696 17.324 ( 0.000 33.331 -14.051) 36.172 20.594 ( 0.000 -22.220 0.955) 22.240 20.605 ( 0.000 -24.647 0.791) 24.659 20.862 ( 0.000 -23.836 2.046) 23.923 20.958 ( 0.000 -26.099 -2.139) 26.186 22.717 ( 0.000 10.744 8.219) 13.527 22.878 ( 0.000 7.502 -0.702) 7.535 23.009 ( 0.000 17.662 4.575) 18.245 23.024 ( 0.000 -0.607 1.923) 2.016 23.305 ( 0.000 11.325 2.890) 11.688 23.463 ( 0.000 16.242 -3.916) 16.707 23.704 ( 0.000 13.842 0.293) 13.845 23.815 ( 0.000 13.726 -3.561) 14.180 104.724 ( 0.000 -0.142 0.760) 0.773 104.755 ( 0.000 -0.275 -0.581) 0.643 104.892 ( 0.000 -2.326 1.431) 2.731 104.947 ( 0.000 -2.193 -1.288) 2.543 106.698 ( 0.000 -3.056 0.210) 3.063 106.703 ( 0.000 -3.294 -0.063) 3.295 106.788 ( 0.000 -4.366 1.447) 4.600 106.873 ( 0.000 -5.984 -2.838) 6.623 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 8.255 10.107 7.656) 15.130 1.516 ( 2.669 6.682 1.391) 7.329 2.054 ( -4.256 4.000 11.057) 12.505 2.130 ( -5.688 7.532 9.816) 13.617 2.608 ( 2.907 15.134 5.658) 16.416 2.760 ( -2.868 13.044 9.385) 16.323 3.194 ( 1.703 15.770 -15.387) 22.099 3.239 ( 2.969 -0.483 8.818) 9.317 3.337 ( -1.940 19.645 -10.188) 22.215 3.397 ( -1.534 1.830 8.518) 8.846 3.583 ( 0.705 5.989 5.716) 8.309 3.659 ( -1.728 7.264 12.734) 14.761 3.752 ( 1.390 1.516 2.227) 3.031 3.795 ( -0.876 -1.360 -7.213) 7.393 4.294 ( 1.791 -0.170 -9.814) 9.977 4.327 ( 0.637 4.592 -7.476) 8.796 4.471 ( 1.847 12.768 -2.462) 13.134 4.548 ( -0.019 11.812 -2.610) 12.097 4.608 ( -1.108 11.152 -0.839) 11.238 4.657 ( -0.501 11.017 -3.403) 11.541 5.237 ( 0.742 -1.107 0.956) 1.640 5.330 ( -2.838 -2.233 -2.505) 4.395 5.413 ( 0.759 -6.593 -0.723) 6.676 5.462 ( -0.523 -7.432 -3.652) 8.297 8.123 ( 0.040 -3.883 -4.575) 6.001 8.124 ( 0.034 -3.965 -4.572) 6.052 8.362 ( 0.618 -1.606 -1.039) 2.010 8.387 ( -0.354 -1.451 -1.938) 2.447 8.929 ( 0.741 8.153 -2.068) 8.444 8.961 ( -0.495 8.140 -2.972) 8.679 9.500 ( 0.008 -13.111 0.370) 13.116 9.502 ( -0.032 -13.332 0.215) 13.333 9.711 ( 1.069 -8.318 5.887) 10.246 9.761 ( -0.842 -7.409 6.648) 9.990 10.003 ( 1.305 3.867 -5.309) 6.697 10.087 ( -1.805 2.526 -8.952) 9.475 10.186 ( 1.683 2.297 -2.925) 4.082 10.256 ( -1.114 3.152 -3.819) 5.075 11.260 ( 0.079 -0.060 -2.120) 2.123 11.271 ( -0.360 -1.390 -2.480) 2.866 11.479 ( 1.013 -4.652 11.958) 12.872 11.526 ( -0.866 -8.324 8.922) 12.232 12.205 ( 0.408 13.351 7.351) 15.246 12.253 ( -1.424 11.230 5.120) 12.424 12.586 ( 1.739 -8.120 6.288) 10.416 12.669 ( -1.462 -9.569 7.176) 12.050 13.110 ( 0.982 -4.142 -7.220) 8.382 13.154 ( -0.667 -4.785 -5.571) 7.374 16.532 ( 4.421 22.220 4.759) 23.150 16.824 ( -8.576 25.190 -3.683) 26.863 17.124 ( 5.797 30.148 -11.986) 32.957 17.297 ( -2.564 32.772 -13.457) 35.520 20.600 ( 0.476 -22.555 0.922) 22.579 20.608 ( 0.197 -24.292 0.788) 24.305 20.869 ( 0.783 -24.070 1.608) 24.136 20.937 ( -1.877 -25.692 -1.315) 25.794 22.745 ( 2.873 9.669 7.823) 12.765 22.899 ( 1.693 8.384 -0.600) 8.574 22.959 ( -5.295 3.646 4.249) 7.707 22.995 ( -1.534 15.146 3.079) 15.532 23.329 ( 2.025 11.527 2.153) 11.899 23.434 ( -2.542 15.511 -1.993) 15.844 23.727 ( 1.970 13.751 -0.867) 13.918 23.802 ( -1.184 13.672 -3.266) 14.107 104.738 ( 1.327 -0.303 0.919) 1.642 104.771 ( 1.016 -0.552 -0.527) 1.271 104.884 ( -0.369 -2.117 0.943) 2.346 104.932 ( -1.376 -2.172 -1.338) 2.898 106.709 ( 0.862 -3.467 0.273) 3.583 106.720 ( 1.355 -3.625 -0.170) 3.874 106.786 ( 0.163 -4.276 0.825) 4.358 106.856 ( -1.668 -5.704 -2.578) 6.478 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -5.791 6.406 3.460) 9.303 1.499 ( 5.791 6.406 3.460) 9.303 2.024 ( -2.832 6.915 12.126) 14.244 2.024 ( 2.832 6.915 12.126) 14.244 2.684 ( -4.253 14.320 6.827) 16.425 2.684 ( 4.253 14.320 6.827) 16.425 3.241 ( -2.532 13.482 -10.303) 17.156 3.241 ( 2.532 13.482 -10.303) 17.156 3.349 ( -2.915 3.654 4.940) 6.800 3.349 ( 2.915 3.654 4.940) 6.800 3.615 ( -2.332 7.876 9.798) 12.786 3.615 ( 2.332 7.876 9.798) 12.786 3.776 ( -1.045 -0.051 -2.152) 2.393 3.776 ( 1.045 -0.051 -2.152) 2.393 4.324 ( -1.043 1.039 -10.025) 10.133 4.324 ( 1.043 1.039 -10.025) 10.133 4.523 ( -2.766 13.793 -0.061) 14.068 4.523 ( 2.766 13.793 -0.061) 14.068 4.621 ( -2.318 11.604 -2.406) 12.076 4.621 ( 2.318 11.604 -2.406) 12.076 5.270 ( -2.588 -1.569 -0.449) 3.059 5.270 ( 2.588 -1.569 -0.449) 3.059 5.439 ( -1.522 -8.048 -3.143) 8.773 5.439 ( 1.522 -8.048 -3.143) 8.773 8.124 ( -0.037 -3.959 -4.538) 6.022 8.124 ( 0.037 -3.959 -4.538) 6.022 8.376 ( -0.681 -1.563 -1.513) 2.279 8.376 ( 0.681 -1.563 -1.513) 2.279 8.946 ( -0.879 8.127 -2.538) 8.559 8.946 ( 0.879 8.127 -2.538) 8.559 9.501 ( -0.057 -13.243 0.340) 13.247 9.501 ( 0.057 -13.243 0.340) 13.247 9.737 ( -1.391 -7.788 6.541) 10.265 9.737 ( 1.391 -7.788 6.541) 10.265 10.042 ( -2.369 2.911 -7.608) 8.483 10.042 ( 2.369 2.911 -7.608) 8.483 10.224 ( -1.916 3.015 -3.186) 4.786 10.224 ( 1.916 3.015 -3.186) 4.786 11.264 ( -0.283 -0.562 -2.211) 2.299 11.264 ( 0.283 -0.562 -2.211) 2.299 11.504 ( -1.295 -6.783 10.235) 12.347 11.504 ( 1.295 -6.783 10.235) 12.347 12.223 ( -1.328 12.196 6.185) 13.739 12.223 ( 1.328 12.196 6.185) 13.739 12.629 ( -2.318 -8.253 7.393) 11.320 12.629 ( 2.318 -8.253 7.393) 11.320 13.134 ( -1.253 -4.565 -6.631) 8.147 13.134 ( 1.253 -4.565 -6.631) 8.147 16.656 ( -7.656 23.713 0.508) 24.924 16.656 ( 7.656 23.713 0.508) 24.924 17.226 ( -4.376 31.455 -12.394) 34.091 17.226 ( 4.376 31.455 -12.394) 34.091 20.608 ( -0.224 -23.411 0.836) 23.427 20.608 ( 0.224 -23.411 0.836) 23.427 20.896 ( -1.876 -24.796 0.340) 24.869 20.896 ( 1.876 -24.796 0.340) 24.869 22.832 ( -5.603 6.865 6.191) 10.810 22.832 ( 5.603 6.865 6.191) 10.810 22.953 ( -2.449 12.055 1.222) 12.362 22.953 ( 2.449 12.055 1.222) 12.362 23.378 ( -2.781 13.518 0.649) 13.816 23.378 ( 2.781 13.518 0.649) 13.816 23.769 ( -2.036 13.634 -2.371) 13.988 23.769 ( 2.036 13.634 -2.371) 13.988 104.769 ( -1.306 -0.646 0.650) 1.596 104.769 ( 1.306 -0.646 0.650) 1.596 104.898 ( -1.688 -2.024 -0.807) 2.756 104.898 ( 1.688 -2.024 -0.807) 2.756 106.727 ( -0.664 -3.855 0.449) 3.938 106.727 ( 0.664 -3.855 0.449) 3.938 106.813 ( -2.301 -4.864 -1.473) 5.578 106.813 ( 2.301 -4.864 -1.473) 5.578 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 14.271 5.169) 15.178 1.679 ( 0.000 11.271 -0.808) 11.300 2.191 ( 0.000 5.422 11.194) 12.437 2.399 ( 0.000 11.467 4.473) 12.309 2.771 ( 0.000 4.171 5.321) 6.761 2.884 ( 0.000 -2.004 8.650) 8.880 3.190 ( 0.000 0.842 7.617) 7.663 3.436 ( 0.000 6.632 -16.320) 17.616 3.440 ( 0.000 0.533 6.370) 6.393 3.610 ( 0.000 -1.456 -9.200) 9.315 3.756 ( 0.000 11.865 -14.654) 18.855 3.830 ( 0.000 3.054 -6.701) 7.364 3.922 ( 0.000 16.851 5.768) 17.811 3.983 ( 0.000 20.001 12.163) 23.408 4.271 ( 0.000 4.367 -4.695) 6.412 4.431 ( 0.000 7.074 -5.207) 8.784 4.749 ( 0.000 14.305 0.201) 14.306 4.818 ( 0.000 12.311 -0.104) 12.311 4.831 ( 0.000 7.942 -0.426) 7.953 4.833 ( 0.000 9.475 -1.372) 9.573 5.200 ( 0.000 -1.246 2.218) 2.543 5.282 ( 0.000 -3.713 1.025) 3.852 5.323 ( 0.000 -5.512 -0.216) 5.516 5.368 ( 0.000 -1.273 -2.636) 2.927 8.057 ( 0.000 -1.665 -2.707) 3.178 8.059 ( 0.000 -1.901 -2.986) 3.540 8.375 ( 0.000 3.118 -2.832) 4.212 8.400 ( 0.000 1.965 -3.389) 3.917 9.084 ( 0.000 6.822 -0.264) 6.827 9.112 ( 0.000 3.589 -1.539) 3.905 9.224 ( 0.000 -12.450 1.296) 12.517 9.233 ( 0.000 -10.597 3.558) 11.179 9.541 ( 0.000 -5.911 1.731) 6.160 9.609 ( 0.000 -7.550 3.097) 8.161 10.072 ( 0.000 2.659 -12.594) 12.871 10.088 ( 0.000 -1.976 -13.657) 13.799 10.295 ( 0.000 8.561 -1.749) 8.738 10.345 ( 0.000 5.260 -2.783) 5.951 11.138 ( 0.000 -10.796 1.239) 10.866 11.140 ( 0.000 -9.953 1.292) 10.036 11.416 ( 0.000 -3.472 12.222) 12.705 11.449 ( 0.000 -0.179 11.480) 11.481 12.328 ( 0.000 -13.432 -1.605) 13.528 12.356 ( 0.000 -9.940 -1.086) 9.999 12.509 ( 0.000 13.866 9.392) 16.748 12.575 ( 0.000 6.981 7.446) 10.207 13.042 ( 0.000 -1.438 -2.894) 3.232 13.083 ( 0.000 -2.450 -3.045) 3.908 16.957 ( 0.000 23.110 10.801) 25.509 17.430 ( 0.000 22.306 9.199) 24.128 17.660 ( 0.000 28.113 -24.829) 37.508 17.986 ( 0.000 28.922 -18.995) 34.601 20.140 ( 0.000 -19.941 0.369) 19.945 20.187 ( 0.000 -16.911 -1.722) 16.998 20.415 ( 0.000 -19.032 -0.180) 19.033 20.448 ( 0.000 -22.745 -1.324) 22.784 22.838 ( 0.000 1.709 4.470) 4.785 22.945 ( 0.000 0.712 -1.884) 2.014 22.950 ( 0.000 -4.249 4.785) 6.400 23.148 ( 0.000 -0.673 -5.140) 5.184 23.688 ( 0.000 21.983 6.325) 22.875 23.846 ( 0.000 18.762 -0.899) 18.783 24.068 ( 0.000 18.977 5.601) 19.786 24.145 ( 0.000 16.956 1.639) 17.035 104.723 ( 0.000 0.007 0.664) 0.664 104.750 ( 0.000 -0.256 -0.511) 0.572 104.847 ( 0.000 -2.001 1.474) 2.486 104.897 ( 0.000 -2.468 -1.058) 2.686 106.628 ( 0.000 -3.735 0.063) 3.736 106.629 ( 0.000 -3.542 0.096) 3.544 106.690 ( 0.000 -4.829 0.989) 4.929 106.742 ( 0.000 -6.418 -1.566) 6.607 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.896 12.108 6.008) 14.067 1.700 ( 0.769 9.885 0.690) 9.939 2.175 ( -0.370 7.882 10.092) 12.811 2.339 ( -5.369 11.845 4.480) 13.755 2.796 ( 2.240 3.710 5.550) 7.042 2.879 ( -0.784 -0.577 7.677) 7.739 3.230 ( 3.521 0.392 7.001) 7.847 3.386 ( -3.323 1.235 1.193) 3.741 3.467 ( 1.643 5.053 -11.135) 12.338 3.584 ( -2.862 1.026 -11.277) 11.680 3.751 ( 0.726 8.972 -11.169) 14.345 3.824 ( -1.229 4.109 -9.295) 10.237 3.935 ( 1.534 18.186 8.885) 20.299 3.997 ( 0.228 20.120 12.363) 23.615 4.288 ( 2.109 3.197 -6.438) 7.491 4.414 ( -1.943 6.264 -5.881) 8.809 4.759 ( 0.745 12.143 1.058) 12.211 4.814 ( 0.173 11.685 1.249) 11.753 4.822 ( 1.315 10.509 -0.699) 10.614 4.887 ( 2.020 11.105 -1.807) 11.431 5.211 ( 1.117 -1.691 1.409) 2.469 5.275 ( -0.475 -4.528 0.742) 4.613 5.292 ( -2.629 -3.018 -0.133) 4.004 5.339 ( -2.597 -3.745 -2.370) 5.136 8.057 ( 0.033 -1.719 -2.770) 3.261 8.059 ( -0.021 -1.848 -2.969) 3.497 8.380 ( 0.424 2.921 -2.850) 4.103 8.397 ( -0.275 2.118 -3.237) 3.878 9.090 ( 0.479 6.245 -0.498) 6.283 9.109 ( -0.305 3.940 -1.345) 4.175 9.225 ( 0.101 -12.107 1.615) 12.215 9.233 ( -0.100 -10.639 2.867) 11.019 9.552 ( 1.055 -6.296 2.401) 6.821 9.602 ( -0.737 -7.292 3.428) 8.091 10.063 ( -0.127 1.015 -13.226) 13.265 10.092 ( -0.324 -0.562 -14.351) 14.365 10.304 ( 0.872 8.109 -1.261) 8.253 10.342 ( -0.407 5.878 -2.518) 6.408 11.135 ( -0.164 -10.706 1.267) 10.782 11.137 ( -0.206 -10.296 1.245) 10.373 11.422 ( 0.561 -2.790 12.181) 12.509 11.445 ( -0.345 -0.440 11.640) 11.654 12.321 ( -0.362 -11.315 -1.496) 11.419 12.343 ( -1.097 -9.561 -1.344) 9.717 12.529 ( 1.737 11.548 9.326) 14.945 12.577 ( -0.048 7.046 8.014) 10.671 13.048 ( 0.608 -1.615 -3.024) 3.481 13.078 ( -0.526 -2.354 -3.104) 3.931 17.008 ( 4.918 23.104 9.337) 25.400 17.320 ( -8.472 22.943 4.763) 24.917 17.744 ( 6.061 27.764 -19.219) 34.306 17.952 ( -3.300 28.746 -18.492) 34.339 20.150 ( 0.920 -19.626 0.080) 19.648 20.184 ( -0.362 -17.440 -1.450) 17.504 20.416 ( 0.129 -19.397 -0.311) 19.399 20.439 ( -0.802 -22.004 -1.070) 22.044 22.840 ( 0.553 0.820 4.772) 4.873 22.918 ( -2.261 -3.334 3.907) 5.612 22.990 ( 3.230 0.883 -1.591) 3.707 23.124 ( -2.295 -0.242 -4.766) 5.295 23.710 ( 2.081 21.614 5.665) 22.441 23.820 ( -2.335 19.502 0.835) 19.659 24.081 ( 1.130 18.370 4.448) 18.934 24.134 ( -1.011 17.055 1.899) 17.190 104.733 ( 0.999 -0.144 0.781) 1.276 104.760 ( 0.653 -0.491 -0.380) 0.901 104.842 ( -0.154 -1.891 1.034) 2.161 104.885 ( -1.199 -2.347 -1.001) 2.819 106.632 ( 0.474 -3.823 0.254) 3.860 106.639 ( 0.646 -4.014 0.005) 4.065 106.690 ( 0.177 -4.772 0.576) 4.810 106.731 ( -1.025 -6.096 -1.375) 6.333 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -4.354 8.938 5.107) 11.177 1.663 ( 4.354 8.938 5.107) 11.177 2.222 ( -5.064 11.581 6.130) 14.048 2.222 ( 5.064 11.581 6.130) 14.048 2.846 ( -2.343 2.022 6.245) 6.970 2.846 ( 2.343 2.022 6.245) 6.970 3.310 ( -4.101 0.165 4.988) 6.460 3.310 ( 4.101 0.165 4.988) 6.460 3.516 ( -3.246 4.132 -13.093) 14.108 3.516 ( 3.246 4.132 -13.093) 14.108 3.786 ( -2.203 6.078 -9.547) 11.530 3.786 ( 2.203 6.078 -9.547) 11.530 3.975 ( -2.007 19.103 11.279) 22.275 3.975 ( 2.007 19.103 11.279) 22.275 4.353 ( -3.731 4.272 -6.904) 8.935 4.353 ( 3.731 4.272 -6.904) 8.935 4.787 ( -1.833 10.500 1.899) 10.827 4.787 ( 1.833 10.500 1.899) 10.827 4.883 ( -2.538 13.040 -1.193) 13.338 4.883 ( 2.538 13.040 -1.193) 13.338 5.242 ( -1.926 -1.610 0.380) 2.539 5.242 ( 1.926 -1.610 0.380) 2.539 5.286 ( -1.960 -5.673 -1.022) 6.088 5.286 ( 1.960 -5.673 -1.022) 6.088 8.058 ( -0.059 -1.784 -2.892) 3.398 8.058 ( 0.059 -1.784 -2.892) 3.398 8.390 ( -0.484 2.497 -2.978) 3.916 8.390 ( 0.484 2.497 -2.978) 3.916 9.101 ( -0.544 4.983 -0.941) 5.100 9.101 ( 0.544 4.983 -0.941) 5.100 9.229 ( -0.245 -11.236 2.056) 11.426 9.229 ( 0.245 -11.236 2.056) 11.426 9.579 ( -1.469 -6.843 3.401) 7.782 9.579 ( 1.469 -6.843 3.401) 7.782 10.075 ( -1.091 0.152 -14.291) 14.333 10.075 ( 1.091 0.152 -14.291) 14.333 10.326 ( -1.124 7.031 -1.661) 7.311 10.326 ( 1.124 7.031 -1.661) 7.311 11.134 ( -0.076 -10.624 1.249) 10.698 11.134 ( 0.076 -10.624 1.249) 10.698 11.435 ( -0.671 -1.408 11.968) 12.069 11.435 ( 0.671 -1.408 11.968) 12.069 12.323 ( -0.631 -9.458 -1.494) 9.596 12.323 ( 0.631 -9.458 -1.494) 9.596 12.563 ( -1.389 8.445 8.920) 12.361 12.563 ( 1.389 8.445 8.920) 12.361 13.064 ( -0.849 -2.031 -3.155) 3.847 13.064 ( 0.849 -2.031 -3.155) 3.847 17.144 ( -8.306 23.083 6.134) 25.287 17.144 ( 8.306 23.083 6.134) 25.287 17.862 ( -5.425 28.250 -17.833) 33.845 17.862 ( 5.425 28.250 -17.833) 33.845 20.171 ( -0.982 -18.658 -0.689) 18.696 20.171 ( 0.982 -18.658 -0.689) 18.696 20.423 ( -0.617 -20.494 -0.634) 20.514 20.423 ( 0.617 -20.494 -0.634) 20.514 22.869 ( -2.220 -1.234 4.783) 5.416 22.869 ( 2.220 -1.234 4.783) 5.416 23.062 ( -3.610 0.605 -3.577) 5.118 23.062 ( 3.610 0.605 -3.577) 5.118 23.764 ( -3.016 20.714 3.708) 21.258 23.764 ( 3.016 20.714 3.708) 21.258 24.108 ( -1.463 17.491 2.803) 17.774 24.108 ( 1.463 17.491 2.803) 17.774 104.757 ( -1.021 -0.501 0.584) 1.279 104.757 ( 1.021 -0.501 0.584) 1.279 104.855 ( -1.432 -2.012 -0.435) 2.507 104.855 ( 1.432 -2.012 -0.435) 2.507 106.642 ( -0.349 -4.175 0.333) 4.203 106.642 ( 0.349 -4.175 0.333) 4.203 106.706 ( -1.279 -5.267 -0.664) 5.460 106.706 ( 1.279 -5.267 -0.664) 5.460 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.000 12.523 2.590) 12.788 1.896 ( 0.000 8.825 1.124) 8.897 2.329 ( 0.000 7.182 6.716) 9.833 2.618 ( 0.000 5.622 -4.415) 7.148 2.814 ( 0.000 1.716 6.254) 6.485 2.816 ( 0.000 0.202 10.428) 10.430 3.236 ( 0.000 3.503 3.905) 5.246 3.438 ( 0.000 -0.747 3.236) 3.321 3.472 ( 0.000 -1.256 -13.076) 13.136 3.583 ( 0.000 -0.780 -7.549) 7.589 3.808 ( 0.000 -3.732 -14.516) 14.988 3.831 ( 0.000 -3.995 -9.362) 10.179 4.310 ( 0.000 18.755 4.388) 19.261 4.398 ( 0.000 17.762 2.536) 17.942 4.517 ( 0.000 16.478 2.172) 16.620 4.641 ( 0.000 11.991 -1.574) 12.093 4.936 ( 0.000 5.073 0.011) 5.073 4.948 ( 0.000 3.974 -0.890) 4.072 5.044 ( 0.000 11.342 2.025) 11.521 5.093 ( 0.000 10.496 1.163) 10.561 5.191 ( 0.000 0.045 2.891) 2.891 5.224 ( 0.000 -1.815 1.049) 2.096 5.248 ( 0.000 -0.588 0.048) 0.590 5.346 ( 0.000 -0.952 -2.160) 2.361 8.059 ( 0.000 1.949 2.539) 3.201 8.067 ( 0.000 2.694 2.637) 3.770 8.455 ( 0.000 2.698 -5.656) 6.266 8.463 ( 0.000 4.825 -6.410) 8.023 8.954 ( 0.000 -11.271 2.960) 11.653 8.961 ( 0.000 -9.531 2.575) 9.873 9.165 ( 0.000 -4.654 5.672) 7.337 9.211 ( 0.000 1.204 2.733) 2.986 9.502 ( 0.000 -0.549 -1.822) 1.903 9.526 ( 0.000 5.131 -3.838) 6.407 10.051 ( 0.000 -1.566 -13.870) 13.958 10.091 ( 0.000 -0.578 -17.537) 17.547 10.494 ( 0.000 10.198 -2.538) 10.509 10.496 ( 0.000 8.900 -1.542) 9.032 10.904 ( 0.000 -10.192 3.059) 10.641 10.919 ( 0.000 -10.046 2.075) 10.258 11.321 ( 0.000 -6.492 13.386) 14.877 11.396 ( 0.000 -5.561 13.007) 14.146 12.010 ( 0.000 -16.272 -8.318) 18.275 12.062 ( 0.000 -15.869 -7.973) 17.760 12.763 ( 0.000 8.674 8.817) 12.369 12.775 ( 0.000 11.186 8.326) 13.945 13.041 ( 0.000 1.203 -0.087) 1.206 13.057 ( 0.000 -0.347 -0.712) 0.792 17.428 ( 0.000 22.104 13.698) 26.004 17.867 ( 0.000 19.457 12.079) 22.902 18.159 ( 0.000 19.839 -21.666) 29.377 18.475 ( 0.000 17.412 -16.780) 24.181 19.791 ( 0.000 -13.269 -1.225) 13.326 19.893 ( 0.000 -11.563 -4.801) 12.521 20.025 ( 0.000 -17.807 -0.887) 17.829 20.077 ( 0.000 -13.651 -2.999) 13.977 22.813 ( 0.000 -2.775 3.872) 4.764 22.894 ( 0.000 -1.562 3.597) 3.921 22.936 ( 0.000 -1.386 -2.559) 2.910 23.088 ( 0.000 -4.230 -6.742) 7.959 24.122 ( 0.000 19.232 6.072) 20.168 24.210 ( 0.000 16.099 1.945) 16.216 24.428 ( 0.000 14.914 6.809) 16.395 24.474 ( 0.000 13.989 4.301) 14.635 104.725 ( 0.000 0.184 0.509) 0.541 104.745 ( 0.000 -0.176 -0.385) 0.423 104.810 ( 0.000 -1.482 1.143) 1.871 104.848 ( 0.000 -2.235 -0.713) 2.346 106.554 ( 0.000 -3.357 0.174) 3.362 106.557 ( 0.000 -3.196 0.003) 3.196 106.595 ( 0.000 -4.228 0.481) 4.255 106.617 ( 0.000 -5.405 -0.617) 5.440 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 1.016 11.501 3.843) 12.168 1.890 ( -1.008 8.124 3.342) 8.842 2.359 ( 3.242 8.401 3.272) 9.581 2.567 ( -4.674 7.000 -3.686) 9.189 2.829 ( 1.229 0.124 7.250) 7.355 2.832 ( 1.158 1.244 8.961) 9.120 3.258 ( 2.107 2.397 3.276) 4.574 3.384 ( -3.565 -0.760 0.472) 3.675 3.505 ( 1.731 -0.476 -10.191) 10.347 3.571 ( -1.247 -0.777 -8.616) 8.740 3.806 ( 0.197 -3.059 -12.120) 12.502 3.830 ( -0.261 -4.068 -10.217) 11.000 4.338 ( 2.410 19.112 4.739) 19.838 4.426 ( 1.727 18.582 4.573) 19.214 4.491 ( -1.140 14.939 0.117) 14.983 4.618 ( -2.467 12.134 -1.879) 12.524 4.933 ( 0.282 5.773 0.782) 5.833 4.959 ( 0.786 4.768 -0.495) 4.857 5.074 ( 2.380 10.126 1.566) 10.519 5.103 ( 0.173 6.520 1.603) 6.716 5.165 ( -0.714 -1.054 1.908) 2.293 5.222 ( -0.325 0.700 -0.815) 1.123 5.256 ( 0.194 0.591 0.653) 0.902 5.307 ( -3.383 -0.281 -1.193) 3.598 8.060 ( 0.132 2.071 2.508) 3.255 8.067 ( -0.099 2.590 2.533) 3.624 8.457 ( 0.210 3.173 -5.635) 6.470 8.464 ( 0.019 4.514 -6.144) 7.624 8.952 ( -0.102 -11.058 3.090) 11.483 8.958 ( -0.289 -9.871 2.840) 10.275 9.176 ( 0.926 -3.831 4.622) 6.074 9.209 ( -0.266 0.101 2.864) 2.878 9.501 ( 0.165 1.069 -2.096) 2.359 9.526 ( -0.236 3.574 -2.610) 4.431 10.050 ( 0.114 -1.276 -14.841) 14.896 10.084 ( -0.831 -0.903 -17.072) 17.116 10.494 ( 0.310 9.754 -1.809) 9.925 10.504 ( 0.280 9.290 -2.182) 9.547 10.903 ( -0.051 -10.135 2.876) 10.535 10.913 ( -0.476 -10.081 2.224) 10.334 11.336 ( 1.344 -6.314 13.416) 14.889 11.389 ( -0.715 -5.683 13.161) 14.354 12.017 ( 0.672 -16.050 -8.368) 18.113 12.054 ( -0.748 -15.773 -8.105) 17.750 12.767 ( 0.382 8.931 8.801) 12.545 12.776 ( 0.057 10.612 8.442) 13.560 13.043 ( 0.229 0.984 -0.172) 1.025 13.055 ( -0.200 -0.121 -0.620) 0.663 17.475 ( 4.596 21.812 12.567) 25.589 17.768 ( -7.888 20.095 9.119) 23.434 18.237 ( 5.911 19.326 -17.762) 26.906 18.442 ( -3.185 17.783 -16.599) 24.534 19.804 ( 1.249 -13.382 -1.428) 13.515 19.876 ( -1.604 -12.513 -3.722) 13.153 20.036 ( 0.924 -16.474 -1.724) 16.590 20.072 ( -0.522 -13.909 -2.975) 14.234 22.815 ( 0.282 -2.385 3.953) 4.625 22.862 ( -1.941 -1.771 3.327) 4.240 22.978 ( 2.832 -1.827 -2.939) 4.471 23.073 ( -1.437 -3.836 -6.260) 7.482 24.137 ( 1.415 18.928 5.773) 19.839 24.200 ( -1.001 16.757 2.906) 17.036 24.431 ( 0.367 14.625 6.163) 15.875 24.464 ( -0.876 14.004 4.436) 14.716 104.732 ( 0.712 0.060 0.573) 0.915 104.752 ( 0.416 -0.313 -0.264) 0.583 104.807 ( -0.110 -1.452 0.839) 1.680 104.838 ( -0.902 -2.079 -0.638) 2.355 106.556 ( 0.228 -3.422 0.208) 3.436 106.560 ( 0.182 -3.439 0.044) 3.444 106.596 ( 0.120 -4.233 0.286) 4.245 106.613 ( -0.443 -5.155 -0.526) 5.201 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -2.254 9.122 5.225) 10.751 1.853 ( 2.254 9.122 5.225) 10.751 2.455 ( -5.819 8.675 -1.541) 10.559 2.455 ( 5.819 8.675 -1.541) 10.559 2.846 ( -0.081 0.555 7.932) 7.951 2.846 ( 0.081 0.555 7.932) 7.951 3.314 ( -3.272 0.420 1.891) 3.802 3.314 ( 3.272 0.420 1.891) 3.802 3.539 ( -1.753 -0.324 -10.142) 10.297 3.539 ( 1.753 -0.324 -10.142) 10.297 3.818 ( -0.822 -3.382 -10.471) 11.034 3.818 ( 0.822 -3.382 -10.471) 11.034 4.396 ( -3.149 19.766 5.782) 20.833 4.396 ( 3.149 19.766 5.782) 20.833 4.544 ( -4.461 12.551 -1.967) 13.464 4.544 ( 4.461 12.551 -1.967) 13.464 4.955 ( -1.330 6.114 1.233) 6.377 4.955 ( 1.330 6.114 1.233) 6.377 5.101 ( -0.412 3.381 0.825) 3.504 5.101 ( 0.413 3.381 0.825) 3.504 5.195 ( -2.966 3.081 -0.474) 4.303 5.195 ( 2.966 3.081 -0.474) 4.303 5.257 ( -0.791 0.794 0.352) 1.175 5.257 ( 0.791 0.794 0.352) 1.175 8.064 ( -0.181 2.339 2.455) 3.395 8.064 ( 0.181 2.339 2.455) 3.395 8.462 ( -0.213 3.925 -5.748) 6.964 8.462 ( 0.213 3.925 -5.748) 6.964 8.953 ( -0.183 -10.531 3.140) 10.990 8.953 ( 0.183 -10.531 3.140) 10.990 9.196 ( -0.966 -1.997 3.277) 3.957 9.196 ( 0.966 -1.997 3.277) 3.957 9.513 ( -0.882 2.349 -1.853) 3.119 9.513 ( 0.882 2.349 -1.853) 3.119 10.062 ( -1.064 -1.101 -16.189) 16.261 10.062 ( 1.064 -1.101 -16.189) 16.261 10.503 ( -0.364 9.487 -1.961) 9.694 10.503 ( 0.364 9.487 -1.961) 9.694 10.905 ( -0.259 -10.094 2.529) 10.409 10.905 ( 0.259 -10.094 2.529) 10.409 11.366 ( -1.484 -5.973 13.380) 14.728 11.366 ( 1.484 -5.973 13.380) 14.728 12.035 ( -1.026 -15.753 -8.326) 17.847 12.035 ( 1.026 -15.753 -8.326) 17.847 12.774 ( -0.245 9.613 8.671) 12.948 12.774 ( 0.245 9.613 8.671) 12.948 13.049 ( -0.320 0.435 -0.392) 0.667 13.049 ( 0.320 0.435 -0.392) 0.667 17.603 ( -7.808 21.041 10.092) 24.608 17.603 ( 7.808 21.041 10.092) 24.608 18.354 ( -5.398 18.568 -16.432) 25.376 18.354 ( 5.398 18.568 -16.432) 25.376 19.838 ( -1.955 -13.356 -2.223) 13.680 19.838 ( 1.955 -13.356 -2.223) 13.680 20.056 ( -0.961 -14.776 -2.671) 15.046 20.056 ( 0.961 -14.776 -2.671) 15.046 22.829 ( -1.209 -1.986 3.849) 4.497 22.829 ( 1.209 -1.986 3.849) 4.497 23.033 ( -2.509 -2.857 -4.852) 6.165 23.033 ( 2.509 -2.857 -4.852) 6.165 24.172 ( -1.764 18.022 4.681) 18.703 24.172 ( 1.764 18.022 4.681) 18.703 24.444 ( -0.949 14.174 5.033) 15.071 24.444 ( 0.949 14.174 5.033) 15.071 104.749 ( -0.719 -0.239 0.424) 0.868 104.749 ( 0.719 -0.239 0.424) 0.868 104.817 ( -1.028 -1.690 -0.190) 1.988 104.817 ( 1.028 -1.690 -0.190) 1.988 106.561 ( -0.159 -3.580 0.196) 3.589 106.561 ( 0.159 -3.580 0.196) 3.589 106.602 ( -0.514 -4.576 -0.206) 4.610 106.602 ( 0.514 -4.576 -0.206) 4.610 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 9.765 0.916) 9.808 2.045 ( 0.000 6.171 5.918) 8.550 2.422 ( 0.000 0.575 -1.472) 1.580 2.536 ( 0.000 -8.298 -1.699) 8.470 2.917 ( 0.000 9.105 4.819) 10.302 2.996 ( 0.000 11.812 3.016) 12.191 3.328 ( 0.000 5.047 0.790) 5.108 3.408 ( 0.000 -2.074 -0.464) 2.125 3.441 ( 0.000 -1.102 -8.843) 8.911 3.563 ( 0.000 -1.709 -6.894) 7.103 3.684 ( 0.000 -9.238 -7.430) 11.855 3.695 ( 0.000 -6.319 -9.254) 11.206 4.658 ( 0.000 14.259 3.391) 14.657 4.701 ( 0.000 11.713 0.234) 11.715 4.811 ( 0.000 9.627 0.675) 9.650 4.858 ( 0.000 7.554 -0.897) 7.607 5.028 ( 0.000 4.670 -0.056) 4.670 5.044 ( 0.000 5.990 0.614) 6.021 5.144 ( 0.000 -1.746 1.227) 2.134 5.180 ( 0.000 -0.513 0.691) 0.861 5.216 ( 0.000 1.599 2.905) 3.316 5.257 ( 0.000 6.892 1.773) 7.116 5.327 ( 0.000 -0.980 -0.611) 1.155 5.354 ( 0.000 6.922 -0.850) 6.974 8.134 ( 0.000 4.985 7.438) 8.954 8.161 ( 0.000 6.074 7.787) 9.876 8.472 ( 0.000 -1.981 -2.527) 3.211 8.547 ( 0.000 1.916 -5.211) 5.552 8.758 ( 0.000 -6.490 2.362) 6.907 8.840 ( 0.000 -1.384 0.305) 1.417 9.021 ( 0.000 -7.968 2.036) 8.224 9.133 ( 0.000 -6.504 0.103) 6.505 9.605 ( 0.000 8.188 -2.787) 8.649 9.681 ( 0.000 8.326 -2.899) 8.816 10.016 ( 0.000 -2.103 -11.962) 12.146 10.053 ( 0.000 -3.312 -16.848) 17.170 10.642 ( 0.000 1.827 4.079) 4.469 10.651 ( 0.000 1.807 5.878) 6.149 10.818 ( 0.000 5.547 -5.822) 8.041 10.826 ( 0.000 5.077 -4.264) 6.630 11.146 ( 0.000 -9.624 11.731) 15.173 11.216 ( 0.000 -11.128 13.038) 17.141 11.680 ( 0.000 -15.299 -12.672) 19.865 11.727 ( 0.000 -16.193 -11.270) 19.729 12.913 ( 0.000 5.774 7.659) 9.592 12.964 ( 0.000 6.965 6.899) 9.803 13.059 ( 0.000 0.298 1.729) 1.755 13.079 ( 0.000 2.016 2.344) 3.092 17.866 ( 0.000 19.934 14.013) 24.367 18.225 ( 0.000 14.930 12.193) 19.277 18.469 ( 0.000 9.584 -13.066) 16.204 18.678 ( 0.000 1.977 -6.804) 7.086 19.611 ( 0.000 -3.918 -6.262) 7.387 19.702 ( 0.000 -7.134 -7.729) 10.518 19.724 ( 0.000 -10.868 -2.610) 11.177 19.845 ( 0.000 -8.860 -6.074) 10.742 22.773 ( 0.000 -0.617 2.716) 2.785 22.865 ( 0.000 -1.130 1.376) 1.781 22.895 ( 0.000 -2.390 -2.734) 3.632 22.990 ( 0.000 -4.915 -5.853) 7.643 24.470 ( 0.000 14.063 5.548) 15.118 24.503 ( 0.000 11.865 3.999) 12.521 24.668 ( 0.000 8.104 6.938) 10.668 24.702 ( 0.000 7.664 5.210) 9.267 104.730 ( 0.000 0.325 0.334) 0.466 104.742 ( 0.000 -0.079 -0.206) 0.221 104.785 ( 0.000 -0.923 0.711) 1.166 104.807 ( 0.000 -1.664 -0.355) 1.701 106.494 ( 0.000 -2.290 0.251) 2.304 106.501 ( 0.000 -2.177 -0.076) 2.178 106.520 ( 0.000 -2.870 0.104) 2.872 106.524 ( 0.000 -3.533 -0.058) 3.534 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.372 8.977 2.562) 9.343 2.042 ( -0.423 7.192 4.920) 8.724 2.442 ( 1.892 -1.046 -2.490) 3.298 2.526 ( -1.148 -7.378 -2.485) 7.869 2.933 ( 1.554 9.589 5.243) 11.039 2.994 ( -0.412 11.663 4.016) 12.342 3.326 ( -0.042 3.797 -0.134) 3.799 3.368 ( -2.220 -0.460 -2.079) 3.076 3.480 ( 2.277 -1.596 -7.361) 7.869 3.552 ( -1.112 -1.486 -7.297) 7.529 3.686 ( 0.222 -8.688 -7.156) 11.258 3.694 ( -0.072 -6.953 -8.364) 10.876 4.688 ( 2.599 13.886 3.055) 14.454 4.724 ( 2.240 11.097 0.395) 11.328 4.792 ( -1.745 10.687 1.229) 10.899 4.843 ( -1.741 8.150 -0.703) 8.364 5.036 ( 0.705 4.282 0.096) 4.340 5.051 ( 0.970 5.593 0.470) 5.696 5.126 ( -3.491 0.193 1.395) 3.765 5.129 ( -1.421 -1.054 0.573) 1.860 5.230 ( 0.933 3.194 2.233) 4.008 5.279 ( 0.117 1.721 -0.225) 1.740 5.318 ( 0.632 2.396 0.999) 2.672 5.360 ( 0.027 6.103 -0.595) 6.132 8.138 ( 0.415 5.171 7.475) 9.098 8.158 ( -0.337 5.948 7.690) 9.728 8.485 ( 1.192 -1.574 -2.516) 3.198 8.538 ( -0.836 1.176 -4.354) 4.587 8.766 ( 0.869 -5.581 1.879) 5.952 8.825 ( -1.353 -1.977 0.447) 2.437 9.039 ( 1.661 -7.849 1.428) 8.149 9.118 ( -1.451 -6.816 0.096) 6.970 9.615 ( 1.016 8.200 -2.541) 8.645 9.671 ( -1.053 8.235 -2.552) 8.685 10.017 ( 0.160 -2.202 -12.926) 13.113 10.045 ( -0.769 -3.099 -15.938) 16.255 10.645 ( 0.282 1.724 4.239) 4.584 10.652 ( 0.075 1.738 5.401) 5.674 10.816 ( -0.143 5.145 -5.264) 7.362 10.822 ( -0.298 5.484 -4.828) 7.313 11.160 ( 1.251 -9.856 11.894) 15.497 11.209 ( -0.716 -10.959 12.837) 16.894 11.688 ( 0.739 -15.420 -12.434) 19.823 11.721 ( -0.576 -16.064 -11.442) 19.731 12.922 ( 0.813 5.966 7.600) 9.696 12.958 ( -0.583 6.850 7.095) 9.879 13.061 ( 0.272 0.467 1.747) 1.829 13.076 ( -0.278 1.730 2.218) 2.826 17.905 ( 3.813 19.474 13.189) 23.827 18.145 ( -6.403 16.200 10.367) 20.271 18.526 ( 4.245 8.016 -10.115) 13.586 18.660 ( -1.791 2.953 -7.249) 8.029 19.615 ( 0.446 -4.552 -5.934) 7.492 19.663 ( -2.023 -7.663 -5.331) 9.551 19.766 ( 2.430 -9.603 -5.200) 11.187 19.836 ( -0.901 -8.985 -6.032) 10.859 22.780 ( 0.703 -0.506 2.534) 2.678 22.836 ( -1.864 -0.732 1.279) 2.376 22.924 ( 1.856 -3.058 -2.948) 4.635 22.982 ( -0.815 -4.690 -5.448) 7.235 24.479 ( 0.787 13.744 5.519) 14.832 24.503 ( -0.075 12.186 4.411) 12.960 24.668 ( 0.071 8.043 6.539) 10.366 24.693 ( -0.810 7.724 5.303) 9.404 104.736 ( 0.503 0.248 0.365) 0.669 104.747 ( 0.355 -0.104 -0.159) 0.403 104.782 ( -0.201 -0.966 0.573) 1.141 104.800 ( -0.620 -1.547 -0.307) 1.694 106.495 ( 0.138 -2.307 0.214) 2.321 106.501 ( -0.044 -2.246 -0.024) 2.246 106.520 ( 0.007 -2.926 0.073) 2.927 106.523 ( -0.074 -3.411 -0.049) 3.413 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -0.264 8.203 4.023) 9.141 2.033 ( 0.264 8.203 4.023) 9.141 2.488 ( -2.380 -4.525 -3.338) 6.106 2.488 ( 2.380 -4.525 -3.338) 6.106 2.971 ( -1.865 10.713 5.361) 12.124 2.971 ( 1.865 10.713 5.361) 12.124 3.335 ( -1.038 1.604 -1.478) 2.416 3.335 ( 1.038 1.604 -1.478) 2.416 3.521 ( -1.843 -1.393 -7.706) 8.045 3.521 ( 1.843 -1.393 -7.706) 8.045 3.691 ( -0.222 -7.862 -7.188) 10.655 3.691 ( 0.222 -7.862 -7.188) 10.655 4.744 ( -2.688 12.710 2.305) 13.194 4.744 ( 2.688 12.710 2.305) 13.194 4.787 ( -3.443 9.602 0.011) 10.201 4.787 ( 3.443 9.602 0.011) 10.201 5.060 ( -1.704 4.035 0.936) 4.479 5.060 ( 1.704 4.035 0.936) 4.479 5.092 ( -1.727 0.699 -0.020) 1.863 5.092 ( 1.727 0.699 -0.020) 1.863 5.256 ( -1.523 1.027 0.853) 2.025 5.256 ( 1.523 1.027 0.852) 2.025 5.347 ( -1.303 5.186 0.292) 5.355 5.347 ( 1.303 5.186 0.292) 5.355 8.148 ( -0.549 5.587 7.552) 9.410 8.148 ( 0.549 5.587 7.552) 9.410 8.514 ( -1.515 -0.376 -2.991) 3.374 8.514 ( 1.515 -0.376 -2.991) 3.374 8.793 ( -1.664 -3.609 0.973) 4.092 8.793 ( 1.664 -3.609 0.973) 4.092 9.080 ( -2.200 -7.423 0.465) 7.756 9.080 ( 2.200 -7.423 0.465) 7.756 9.643 ( -1.578 8.174 -2.262) 8.627 9.643 ( 1.578 8.174 -2.262) 8.627 10.027 ( -0.843 -2.594 -14.455) 14.710 10.027 ( 0.843 -2.594 -14.455) 14.710 10.651 ( -0.245 1.633 4.678) 4.960 10.651 ( 0.245 1.633 4.678) 4.960 10.816 ( -0.211 5.335 -5.065) 7.359 10.816 ( 0.211 5.335 -5.065) 7.359 11.188 ( -1.358 -10.442 12.352) 16.231 11.188 ( 1.358 -10.442 12.352) 16.231 11.705 ( -0.927 -15.740 -11.904) 19.756 11.705 ( 0.927 -15.740 -11.904) 19.756 12.941 ( -1.010 6.435 7.409) 9.865 12.941 ( 1.010 6.435 7.409) 9.865 13.069 ( -0.406 1.051 1.936) 2.241 13.069 ( 0.406 1.051 1.936) 2.241 18.011 ( -6.427 18.131 11.311) 22.316 18.011 ( 6.427 18.131 11.311) 22.316 18.607 ( -3.509 5.299 -8.286) 10.443 18.607 ( 3.509 5.299 -8.286) 10.443 19.631 ( -1.193 -6.136 -5.335) 8.218 19.631 ( 1.193 -6.136 -5.335) 8.218 19.809 ( -1.785 -9.277 -5.824) 11.098 19.809 ( 1.785 -9.277 -5.824) 11.098 22.802 ( -1.422 -0.426 2.003) 2.493 22.802 ( 1.422 -0.426 2.003) 2.493 22.959 ( -1.485 -4.032 -4.339) 6.106 22.959 ( 1.485 -4.032 -4.339) 6.106 24.495 ( -0.697 12.975 5.182) 13.989 24.495 ( 0.697 12.975 5.182) 13.989 24.676 ( -0.713 7.874 5.742) 9.772 24.676 ( 0.713 7.874 5.742) 9.772 104.747 ( -0.466 0.062 0.261) 0.537 104.747 ( 0.466 0.062 0.261) 0.537 104.786 ( -0.639 -1.260 -0.031) 1.413 104.786 ( 0.639 -1.260 -0.031) 1.413 106.499 ( -0.148 -2.317 0.107) 2.325 106.499 ( 0.148 -2.317 0.107) 2.325 106.521 ( -0.079 -3.137 -0.003) 3.138 106.521 ( 0.079 -3.137 -0.003) 3.138 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 0.000 6.269 6.204) 8.820 2.210 ( 0.000 5.789 0.593) 5.820 2.365 ( 0.000 -6.842 0.962) 6.910 2.372 ( 0.000 -4.272 -2.612) 5.008 3.157 ( 0.000 12.635 -1.718) 12.752 3.213 ( 0.000 8.215 -3.397) 8.890 3.346 ( 0.000 -3.605 -4.035) 5.411 3.424 ( 0.000 -8.661 -7.457) 11.429 3.431 ( 0.000 3.840 -0.732) 3.909 3.450 ( 0.000 -1.432 -2.817) 3.160 3.548 ( 0.000 -2.677 -3.435) 4.355 3.568 ( 0.000 -5.104 -4.754) 6.975 4.875 ( 0.000 5.989 2.382) 6.445 4.884 ( 0.000 5.760 0.875) 5.826 4.914 ( 0.000 1.617 0.567) 1.714 4.939 ( 0.000 0.778 -0.028) 0.778 5.089 ( 0.000 0.531 -0.883) 1.030 5.123 ( 0.000 -1.275 -1.094) 1.680 5.177 ( 0.000 5.130 0.426) 5.148 5.182 ( 0.000 2.837 0.456) 2.874 5.230 ( 0.000 -0.069 2.447) 2.448 5.283 ( 0.000 -3.103 0.622) 3.165 5.389 ( 0.000 4.775 1.688) 5.065 5.437 ( 0.000 0.674 -0.133) 0.687 8.251 ( 0.000 5.997 8.848) 10.689 8.303 ( 0.000 6.583 9.966) 11.944 8.388 ( 0.000 -4.439 5.186) 6.826 8.477 ( 0.000 -7.114 7.429) 10.286 8.746 ( 0.000 3.986 -6.373) 7.517 8.863 ( 0.000 -6.898 -3.435) 7.706 8.883 ( 0.000 4.420 -4.190) 6.090 8.996 ( 0.000 -6.250 -3.678) 7.252 9.783 ( 0.000 8.358 -5.305) 9.900 9.837 ( 0.000 6.182 -3.645) 7.177 9.948 ( 0.000 -6.478 -10.865) 12.649 9.952 ( 0.000 -4.131 -7.159) 8.266 10.684 ( 0.000 4.939 6.358) 8.051 10.703 ( 0.000 5.504 8.338) 9.991 10.864 ( 0.000 -7.439 5.834) 9.454 10.907 ( 0.000 -8.337 7.497) 11.212 11.107 ( 0.000 10.626 -7.717) 13.132 11.108 ( 0.000 10.138 -6.505) 12.045 11.377 ( 0.000 -13.997 -12.076) 18.486 11.398 ( 0.000 -15.423 -11.043) 18.969 13.004 ( 0.000 3.056 5.624) 6.401 13.040 ( 0.000 -0.222 3.916) 3.922 13.082 ( 0.000 2.407 5.627) 6.121 13.106 ( 0.000 0.259 4.475) 4.483 18.245 ( 0.000 16.319 11.147) 19.763 18.481 ( 0.000 9.634 8.479) 12.834 18.510 ( 0.000 -7.228 2.546) 7.663 18.621 ( 0.000 -4.546 1.218) 4.707 19.575 ( 0.000 -1.805 -6.425) 6.674 19.593 ( 0.000 -3.334 -9.049) 9.644 19.619 ( 0.000 1.927 -10.689) 10.861 19.700 ( 0.000 -5.376 -9.135) 10.599 22.791 ( 0.000 2.116 0.359) 2.146 22.844 ( 0.000 -2.550 -1.602) 3.011 22.856 ( 0.000 0.471 -1.163) 1.255 22.897 ( 0.000 -3.640 -3.957) 5.377 24.691 ( 0.000 5.957 5.418) 8.052 24.693 ( 0.000 6.942 5.337) 8.756 24.762 ( 0.000 1.246 6.466) 6.585 24.784 ( 0.000 0.271 5.406) 5.413 104.737 ( 0.000 0.306 0.174) 0.352 104.741 ( 0.000 -0.074 0.002) 0.075 104.773 ( 0.000 -0.177 0.305) 0.352 104.780 ( 0.000 -0.855 -0.041) 0.856 106.462 ( 0.000 -0.663 0.235) 0.704 106.468 ( 0.000 -1.083 0.007) 1.083 106.476 ( 0.000 -0.950 0.070) 0.952 106.479 ( 0.000 -1.117 -0.046) 1.118 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.651 6.804 4.835) 8.373 2.207 ( -0.301 6.780 0.631) 6.816 2.354 ( -0.605 -6.736 -0.007) 6.763 2.367 ( -0.623 -6.225 -1.255) 6.381 3.170 ( 1.363 11.883 -1.179) 12.019 3.221 ( 0.273 9.205 -2.349) 9.504 3.341 ( -0.182 -2.542 -3.887) 4.648 3.391 ( -1.875 -2.515 -4.071) 5.140 3.452 ( 1.366 -0.221 -4.463) 4.672 3.476 ( 1.739 -3.752 -4.034) 5.777 3.538 ( -0.936 -3.250 -3.394) 4.792 3.557 ( -1.024 -5.426 -4.207) 6.942 4.885 ( 0.911 4.804 2.060) 5.306 4.890 ( 0.549 4.839 0.886) 4.950 4.910 ( -0.364 1.971 0.826) 2.168 4.932 ( -0.719 0.932 0.267) 1.207 5.099 ( 0.922 1.046 -0.868) 1.642 5.112 ( -0.494 -0.041 -0.694) 0.852 5.163 ( -1.531 2.967 0.119) 3.341 5.172 ( -0.983 3.360 0.171) 3.505 5.260 ( 2.276 1.259 1.476) 2.990 5.300 ( 1.862 -0.477 0.869) 2.110 5.378 ( -0.880 3.252 1.972) 3.904 5.426 ( -1.239 -0.049 0.113) 1.245 8.261 ( 0.916 6.358 9.091) 11.132 8.300 ( -0.461 7.227 9.952) 12.308 8.398 ( 1.071 -5.526 5.596) 7.937 8.463 ( -1.342 -6.952 7.277) 10.153 8.765 ( 1.805 4.030 -6.143) 7.565 8.862 ( -1.977 4.346 -4.637) 6.655 8.882 ( 1.804 -6.885 -3.648) 7.998 8.977 ( -1.876 -6.413 -3.853) 7.713 9.790 ( 0.706 8.107 -4.848) 9.472 9.829 ( -0.745 6.644 -3.561) 7.575 9.943 ( -0.236 -5.669 -9.706) 11.243 9.951 ( -0.270 -5.078 -8.316) 9.747 10.690 ( 0.513 5.273 6.182) 8.141 10.704 ( 0.061 5.785 7.516) 9.485 10.864 ( 0.144 -7.728 6.023) 9.799 10.896 ( -0.980 -8.286 7.116) 10.966 11.109 ( 0.195 10.294 -7.073) 12.492 11.111 ( 0.187 9.940 -6.524) 11.891 11.381 ( 0.328 -14.230 -11.839) 18.514 11.395 ( -0.242 -15.229 -11.118) 18.857 13.015 ( 1.070 3.102 5.689) 6.568 13.048 ( 0.617 0.631 4.383) 4.471 13.073 ( -0.675 1.725 5.252) 5.569 13.098 ( -0.791 0.054 4.339) 4.411 18.273 ( 2.768 15.792 10.586) 19.213 18.433 ( -3.798 11.177 7.820) 14.161 18.536 ( 1.874 -7.498 3.451) 8.464 18.611 ( -1.086 -5.525 1.708) 5.884 19.574 ( 0.289 -0.510 -7.784) 7.806 19.601 ( -0.199 1.024 -9.495) 9.552 19.626 ( 1.270 -3.361 -9.150) 9.830 19.689 ( -1.056 -5.419 -8.981) 10.542 22.798 ( 0.711 2.110 0.114) 2.229 22.836 ( -0.749 0.558 -1.121) 1.459 22.861 ( 0.574 -2.543 -1.806) 3.171 22.891 ( -0.572 -3.698 -3.617) 5.205 24.694 ( 0.324 6.336 5.528) 8.415 24.697 ( 0.337 6.681 5.368) 8.577 24.760 ( -0.087 1.006 6.276) 6.357 24.777 ( -0.628 0.375 5.480) 5.529 104.742 ( 0.440 0.325 0.193) 0.580 104.746 ( 0.470 -0.066 -0.013) 0.475 104.769 ( -0.418 -0.236 0.289) 0.560 104.775 ( -0.479 -0.829 -0.033) 0.958 106.464 ( 0.155 -0.647 0.193) 0.692 106.469 ( 0.047 -0.903 -0.009) 0.904 106.475 ( -0.073 -1.100 0.100) 1.107 106.477 ( -0.120 -1.168 -0.019) 1.175 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.823 7.634 2.076) 7.954 2.196 ( 0.823 7.634 2.076) 7.954 2.353 ( -0.504 -7.477 -0.439) 7.507 2.353 ( 0.504 -7.477 -0.439) 7.507 3.205 ( -1.727 10.654 -0.808) 10.824 3.205 ( 1.727 10.654 -0.808) 10.824 3.355 ( -1.538 -1.774 -4.175) 4.790 3.355 ( 1.538 -1.774 -4.175) 4.790 3.484 ( -1.344 -1.213 -5.379) 5.675 3.484 ( 1.344 -1.213 -5.379) 5.675 3.534 ( -1.004 -5.896 -3.057) 6.717 3.534 ( 1.004 -5.896 -3.057) 6.717 4.901 ( -0.510 3.218 1.067) 3.429 4.901 ( 0.510 3.218 1.067) 3.429 4.911 ( -1.298 2.257 1.081) 2.819 4.911 ( 1.298 2.257 1.081) 2.819 5.114 ( -0.232 2.656 -0.396) 2.695 5.114 ( 0.232 2.656 -0.396) 2.695 5.145 ( -0.807 0.762 -0.566) 1.246 5.145 ( 0.807 0.762 -0.566) 1.246 5.308 ( -1.920 4.622 1.282) 5.167 5.308 ( 1.920 4.622 1.282) 5.167 5.387 ( -2.168 -1.475 1.066) 2.831 5.387 ( 2.168 -1.475 1.066) 2.831 8.283 ( -1.119 7.113 9.570) 11.976 8.283 ( 1.119 7.113 9.570) 11.976 8.429 ( -1.846 -6.521 6.633) 9.483 8.429 ( 1.846 -6.521 6.633) 9.483 8.813 ( -2.699 4.172 -5.458) 7.381 8.813 ( 2.699 4.172 -5.458) 7.381 8.929 ( -2.617 -6.721 -3.985) 8.241 8.929 ( 2.617 -6.721 -3.985) 8.240 9.809 ( -1.123 7.457 -3.968) 8.521 9.809 ( 1.123 7.457 -3.968) 8.521 9.944 ( -0.315 -5.421 -8.981) 10.495 9.944 ( 0.315 -5.421 -8.981) 10.495 10.701 ( -0.458 5.849 6.331) 8.632 10.701 ( 0.458 5.849 6.331) 8.632 10.875 ( -0.938 -8.158 6.521) 10.486 10.875 ( 0.938 -8.158 6.521) 10.486 11.112 ( -0.060 9.872 -6.509) 11.825 11.112 ( 0.060 9.872 -6.509) 11.825 11.389 ( -0.399 -14.749 -11.399) 18.645 11.389 ( 0.399 -14.749 -11.399) 18.645 13.041 ( -1.288 3.223 5.822) 6.778 13.041 ( 1.288 3.223 5.822) 6.778 13.078 ( -1.051 -0.461 4.020) 4.180 13.078 ( 1.051 -0.461 4.020) 4.180 18.347 ( -4.333 14.136 9.183) 17.405 18.347 ( 4.333 14.136 9.183) 17.405 18.577 ( -2.081 -7.274 2.687) 8.029 18.577 ( 2.081 -7.274 2.687) 8.029 19.587 ( -0.880 1.367 -9.084) 9.228 19.587 ( 0.880 1.367 -9.084) 9.228 19.660 ( -1.756 -5.344 -8.676) 10.340 19.660 ( 1.756 -5.344 -8.676) 10.340 22.817 ( -1.045 1.890 -0.473) 2.211 22.817 ( 1.045 1.890 -0.473) 2.211 22.876 ( -0.826 -3.662 -2.776) 4.669 22.876 ( 0.826 -3.662 -2.776) 4.669 24.700 ( -0.142 6.618 5.550) 8.638 24.700 ( 0.142 6.618 5.550) 8.638 24.764 ( -0.495 0.572 5.789) 5.838 24.764 ( 0.495 0.572 5.789) 5.838 104.752 ( -0.321 0.412 0.148) 0.543 104.752 ( 0.321 0.412 0.148) 0.543 104.765 ( -0.379 -0.818 0.068) 0.904 104.765 ( 0.379 -0.818 0.068) 0.904 106.468 ( -0.155 -0.607 0.074) 0.631 106.468 ( 0.155 -0.607 0.074) 0.631 106.475 ( -0.105 -1.304 0.058) 1.310 106.475 ( 0.105 -1.304 0.058) 1.310 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 0.000 -14.899) 14.899 1.270 ( 0.000 0.000 14.899) 14.899 2.219 ( 0.000 0.000 -1.351) 1.351 2.219 ( 0.000 0.000 1.351) 1.351 2.283 ( 0.000 0.000 -20.856) 20.856 2.283 ( 0.000 0.000 20.856) 20.856 2.515 ( 0.000 0.000 -12.240) 12.240 2.515 ( 0.000 0.000 12.240) 12.240 3.512 ( 0.000 0.000 -13.807) 13.807 3.512 ( 0.000 0.000 13.807) 13.807 3.706 ( 0.000 0.000 -11.492) 11.492 3.706 ( 0.000 0.000 11.492) 11.492 3.989 ( 0.000 0.000 -2.633) 2.633 3.989 ( 0.000 0.000 2.633) 2.633 4.013 ( 0.000 0.000 -7.500) 7.500 4.013 ( 0.000 0.000 7.500) 7.500 4.129 ( 0.000 0.000 -6.125) 6.125 4.129 ( 0.000 0.000 6.125) 6.125 4.202 ( 0.000 0.000 -2.619) 2.619 4.202 ( 0.000 0.000 2.619) 2.619 5.304 ( 0.000 0.000 -3.603) 3.603 5.304 ( 0.000 0.000 3.603) 3.603 5.581 ( 0.000 0.000 -3.091) 3.091 5.581 ( 0.000 0.000 3.091) 3.091 8.252 ( 0.000 0.000 -1.018) 1.018 8.252 ( 0.000 0.000 1.018) 1.018 8.448 ( 0.000 0.000 -1.452) 1.452 8.448 ( 0.000 0.000 1.452) 1.452 8.657 ( 0.000 0.000 -1.257) 1.257 8.657 ( 0.000 0.000 1.257) 1.257 9.882 ( 0.000 0.000 -4.625) 4.625 9.882 ( 0.000 0.000 4.625) 4.625 9.924 ( 0.000 0.000 -0.051) 0.051 9.924 ( 0.000 0.000 0.051) 0.051 10.048 ( 0.000 0.000 -0.341) 0.341 10.048 ( 0.000 0.000 0.341) 0.341 10.112 ( 0.000 0.000 -0.459) 0.459 10.112 ( 0.000 0.000 0.459) 0.459 11.151 ( 0.000 0.000 -3.132) 3.132 11.151 ( 0.000 0.000 3.132) 3.132 11.743 ( 0.000 0.000 -5.047) 5.047 11.743 ( 0.000 0.000 5.047) 5.047 11.941 ( 0.000 0.000 -2.556) 2.556 11.941 ( 0.000 0.000 2.556) 2.556 12.955 ( 0.000 0.000 -12.426) 12.426 12.955 ( 0.000 0.000 12.426) 12.426 13.177 ( 0.000 0.000 -7.906) 7.906 13.177 ( 0.000 0.000 7.906) 7.906 15.954 ( 0.000 0.000 -0.390) 0.390 15.954 ( 0.000 0.000 0.390) 0.390 16.432 ( 0.000 0.000 -0.025) 0.025 16.432 ( 0.000 0.000 0.025) 0.025 21.500 ( 0.000 0.000 -2.202) 2.202 21.500 ( 0.000 0.000 2.202) 2.202 21.829 ( 0.000 0.000 -2.228) 2.228 21.829 ( 0.000 0.000 2.228) 2.228 22.178 ( 0.000 0.000 -2.380) 2.380 22.178 ( 0.000 0.000 2.380) 2.380 22.416 ( 0.000 0.000 -7.573) 7.573 22.416 ( 0.000 0.000 7.573) 7.573 23.231 ( 0.000 0.000 -5.042) 5.042 23.231 ( 0.000 0.000 5.042) 5.042 23.438 ( 0.000 0.000 -0.766) 0.766 23.438 ( 0.000 0.000 0.766) 0.766 104.747 ( 0.000 0.000 -0.874) 0.874 104.747 ( 0.000 0.000 0.874) 0.874 104.973 ( 0.000 0.000 -1.057) 1.057 104.973 ( 0.000 0.000 1.057) 1.057 106.775 ( 0.000 0.000 -0.269) 0.269 106.775 ( 0.000 0.000 0.269) 0.269 106.939 ( 0.000 0.000 -3.112) 3.112 106.939 ( 0.000 0.000 3.112) 3.112 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 6.112 0.000 -11.035) 12.615 1.345 ( 6.112 0.000 11.035) 12.615 2.171 ( -4.044 0.000 -3.369) 5.264 2.171 ( -4.044 0.000 3.369) 5.264 2.310 ( 2.435 0.000 -18.732) 18.890 2.310 ( 2.435 0.000 18.732) 18.890 2.484 ( -2.708 0.000 -12.793) 13.076 2.484 ( -2.708 0.000 12.793) 13.076 3.539 ( 2.403 0.000 -12.375) 12.606 3.539 ( 2.403 0.000 12.375) 12.606 3.682 ( -2.093 0.000 -10.309) 10.520 3.682 ( -2.093 0.000 10.309) 10.520 3.992 ( -1.516 0.000 -8.766) 8.896 3.992 ( -1.516 0.000 8.766) 8.896 4.003 ( 1.207 0.000 -2.205) 2.514 4.003 ( 1.207 0.000 2.205) 2.514 4.149 ( 1.338 0.000 -5.985) 6.133 4.149 ( 1.338 0.000 5.985) 6.133 4.191 ( -0.895 0.000 -2.144) 2.323 4.191 ( -0.895 0.000 2.144) 2.323 5.304 ( -0.036 0.000 -3.193) 3.193 5.304 ( -0.036 0.000 3.193) 3.193 5.580 ( -0.006 0.000 -2.235) 2.235 5.580 ( -0.006 0.000 2.235) 2.235 8.253 ( 0.075 0.000 -0.728) 0.732 8.253 ( 0.075 0.000 0.728) 0.732 8.448 ( -0.064 0.000 -1.035) 1.037 8.448 ( -0.064 0.000 1.035) 1.037 8.664 ( 0.599 0.000 -0.918) 1.096 8.664 ( 0.599 0.000 0.918) 1.096 9.879 ( -0.292 0.000 -3.255) 3.268 9.879 ( -0.292 0.000 3.255) 3.268 9.924 ( 0.003 0.000 -0.036) 0.037 9.924 ( 0.003 0.000 0.036) 0.037 10.048 ( -0.005 0.000 -0.241) 0.241 10.048 ( -0.005 0.000 0.241) 0.241 10.115 ( 0.221 0.000 -0.504) 0.550 10.115 ( 0.221 0.000 0.504) 0.550 11.143 ( -0.563 0.000 -2.206) 2.277 11.143 ( -0.563 0.000 2.206) 2.277 11.756 ( 1.049 0.000 -3.753) 3.896 11.756 ( 1.049 0.000 3.753) 3.896 11.931 ( -0.796 0.000 -1.991) 2.144 11.931 ( -0.796 0.000 1.991) 2.144 12.983 ( 2.679 0.000 -11.958) 12.255 12.983 ( 2.679 0.000 11.958) 12.255 13.144 ( -3.023 0.000 -8.919) 9.418 13.144 ( -3.023 0.000 8.919) 9.418 15.954 ( 0.010 0.000 -0.276) 0.276 15.954 ( 0.010 0.000 0.276) 0.276 16.432 ( -0.014 0.000 -0.019) 0.023 16.432 ( -0.014 0.000 0.019) 0.023 21.501 ( 0.015 0.000 -1.558) 1.559 21.501 ( 0.015 0.000 1.558) 1.559 21.829 ( -0.014 0.000 -1.577) 1.577 21.829 ( -0.014 0.000 1.577) 1.577 22.201 ( 2.240 0.000 -1.742) 2.837 22.201 ( 2.240 0.000 1.742) 2.837 22.378 ( -3.421 0.000 -5.234) 6.253 22.378 ( -3.421 0.000 5.234) 6.253 23.229 ( -0.191 0.000 -3.514) 3.519 23.229 ( -0.191 0.000 3.514) 3.519 23.438 ( 0.006 0.000 -0.497) 0.497 23.438 ( 0.006 0.000 0.497) 0.497 104.768 ( 1.784 0.000 -1.011) 2.051 104.768 ( 1.784 0.000 1.011) 2.051 104.956 ( -1.495 0.000 -1.155) 1.889 104.956 ( -1.495 0.000 1.155) 1.889 106.797 ( 1.924 0.000 -0.345) 1.955 106.797 ( 1.924 0.000 0.345) 1.955 106.923 ( -1.482 0.000 -2.661) 3.046 106.923 ( -1.482 0.000 2.661) 3.046 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 -0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 -0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 3.578 ( -0.000 0.000 -0.000) 0.000 3.578 ( 0.000 0.000 -0.000) 0.000 3.648 ( -0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.973 ( 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 4.164 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.179 ( -0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 5.303 ( -0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 -0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 9.875 ( 0.000 0.000 0.000) 0.000 9.924 ( 0.000 0.000 0.000) 0.000 9.924 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 11.136 ( -0.000 0.000 0.000) 0.000 11.136 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 13.036 ( -0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.087 ( -0.000 0.000 -0.000) 0.000 13.087 ( 0.000 0.000 -0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 15.955 ( 0.000 0.000 0.000) 0.000 16.432 ( 0.000 0.000 0.000) 0.000 16.432 ( 0.000 0.000 0.000) 0.000 21.501 ( 0.000 0.000 0.000) 0.000 21.501 ( 0.000 0.000 0.000) 0.000 21.829 ( 0.000 0.000 0.000) 0.000 21.829 ( 0.000 0.000 0.000) 0.000 22.244 ( 0.000 0.000 0.000) 0.000 22.244 ( 0.000 0.000 0.000) 0.000 22.320 ( -0.000 0.000 0.000) 0.000 22.320 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.226 ( 0.000 0.000 0.000) 0.000 23.438 ( 0.000 0.000 0.000) 0.000 23.438 ( 0.000 0.000 0.000) 0.000 104.793 ( 0.000 0.000 0.000) 0.000 104.793 ( 0.000 0.000 0.000) 0.000 104.934 ( -0.000 0.000 0.000) 0.000 104.934 ( 0.000 0.000 0.000) 0.000 106.827 ( 0.000 0.000 0.000) 0.000 106.827 ( 0.000 0.000 0.000) 0.000 106.898 ( 0.000 0.000 0.000) 0.000 106.898 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 2.865 -11.620) 11.968 1.290 ( 0.000 2.865 11.620) 11.968 2.194 ( 0.000 -0.190 -0.008) 0.190 2.194 ( 0.000 -0.190 0.008) 0.190 2.470 ( 0.000 15.670 -18.557) 24.287 2.470 ( 0.000 15.670 18.557) 24.287 2.717 ( 0.000 16.536 -12.866) 20.952 2.717 ( 0.000 16.536 12.866) 20.952 3.477 ( 0.000 -2.876 -12.094) 12.431 3.477 ( 0.000 -2.876 12.094) 12.431 3.655 ( 0.000 -3.430 -11.455) 11.958 3.655 ( 0.000 -3.430 11.455) 11.958 3.934 ( 0.000 -2.370 -0.150) 2.374 3.934 ( 0.000 -2.370 0.150) 2.374 4.096 ( 0.000 1.362 -6.615) 6.754 4.096 ( 0.000 1.362 6.615) 6.754 4.182 ( 0.000 10.205 -8.961) 13.581 4.182 ( 0.000 10.205 8.961) 13.581 4.363 ( 0.000 11.888 -1.938) 12.045 4.363 ( 0.000 11.888 1.938) 12.045 5.297 ( 0.000 -0.650 -3.634) 3.692 5.297 ( 0.000 -0.650 3.634) 3.692 5.534 ( 0.000 -4.234 -2.524) 4.929 5.534 ( 0.000 -4.234 2.524) 4.929 8.193 ( 0.000 -5.106 -0.212) 5.111 8.193 ( 0.000 -5.106 0.212) 5.111 8.401 ( 0.000 -2.922 -0.914) 3.062 8.401 ( 0.000 -2.922 0.914) 3.062 8.750 ( 0.000 7.261 -1.349) 7.385 8.750 ( 0.000 7.261 1.349) 7.385 9.736 ( 0.000 -10.609 -1.237) 10.681 9.736 ( 0.000 -10.609 1.237) 10.681 9.949 ( 0.000 -1.243 -2.286) 2.602 9.949 ( 0.000 -1.243 2.286) 2.602 9.984 ( 0.000 -3.773 -2.661) 4.617 9.984 ( 0.000 -3.773 2.661) 4.617 10.143 ( 0.000 1.766 -2.807) 3.316 10.143 ( 0.000 1.766 2.807) 3.316 11.190 ( 0.000 3.236 -2.067) 3.840 11.190 ( 0.000 3.236 2.067) 3.840 11.703 ( 0.000 -3.889 -3.572) 5.281 11.703 ( 0.000 -3.889 3.572) 5.281 12.048 ( 0.000 9.864 -2.827) 10.261 12.048 ( 0.000 9.864 2.827) 10.261 12.897 ( 0.000 -6.010 -10.553) 12.144 12.897 ( 0.000 -6.010 10.553) 12.144 13.126 ( 0.000 -3.908 -7.308) 8.287 13.126 ( 0.000 -3.908 7.308) 8.287 16.169 ( 0.000 19.292 -4.337) 19.774 16.169 ( 0.000 19.292 4.337) 19.774 16.625 ( 0.000 17.655 -2.649) 17.853 16.625 ( 0.000 17.655 2.649) 17.853 21.135 ( 0.000 -25.542 -1.488) 25.585 21.135 ( 0.000 -25.542 1.488) 25.585 21.446 ( 0.000 -25.696 -2.998) 25.870 21.446 ( 0.000 -25.696 2.998) 25.870 22.535 ( 0.000 21.434 -3.568) 21.729 22.535 ( 0.000 21.434 3.568) 21.729 22.720 ( 0.000 20.082 -6.377) 21.070 22.720 ( 0.000 20.082 6.377) 21.070 23.247 ( 0.000 1.565 -3.325) 3.675 23.247 ( 0.000 1.565 3.325) 3.675 23.489 ( 0.000 6.264 -2.265) 6.661 23.489 ( 0.000 6.264 2.265) 6.661 104.745 ( 0.000 -0.167 -0.865) 0.881 104.745 ( 0.000 -0.167 0.865) 0.881 104.958 ( 0.000 -1.392 -1.193) 1.833 104.958 ( 0.000 -1.392 1.193) 1.833 106.755 ( 0.000 -1.872 -0.209) 1.884 106.755 ( 0.000 -1.872 0.209) 1.884 106.908 ( 0.000 -2.979 -2.833) 4.110 106.908 ( 0.000 -2.979 2.833) 4.110 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 5.650 2.400 -8.539) 10.516 1.360 ( 5.650 2.400 8.539) 10.516 2.150 ( -3.714 -0.098 -2.203) 4.319 2.150 ( -3.714 -0.098 2.203) 4.319 2.500 ( 2.866 15.885 -17.589) 23.873 2.500 ( 2.866 15.885 17.589) 23.873 2.677 ( -3.642 15.895 -13.623) 21.248 2.677 ( -3.642 15.895 13.623) 21.248 3.505 ( 2.522 -2.769 -11.207) 11.816 3.505 ( 2.522 -2.769 11.207) 11.816 3.631 ( -2.180 -3.503 -10.395) 11.184 3.631 ( -2.180 -3.503 10.395) 11.184 3.924 ( -0.776 -1.761 -4.457) 4.855 3.924 ( -0.776 -1.761 4.457) 4.855 4.112 ( 1.114 0.239 -5.562) 5.677 4.112 ( 1.114 0.239 5.562) 5.677 4.195 ( 1.345 11.698 -6.244) 13.328 4.195 ( 1.345 11.698 6.244) 13.328 4.353 ( -0.954 11.675 -2.134) 11.906 4.353 ( -0.954 11.675 2.134) 11.906 5.294 ( -0.224 -0.854 -3.003) 3.130 5.294 ( -0.224 -0.854 3.003) 3.130 5.531 ( -0.174 -4.456 -1.787) 4.804 5.531 ( -0.174 -4.456 1.787) 4.804 8.194 ( 0.073 -5.097 -0.154) 5.099 8.194 ( 0.073 -5.097 0.154) 5.099 8.402 ( 0.120 -2.870 -0.652) 2.946 8.402 ( 0.120 -2.870 0.652) 2.946 8.754 ( 0.317 7.088 -0.972) 7.161 8.754 ( 0.317 7.088 0.972) 7.161 9.736 ( -0.006 -10.542 -0.876) 10.579 9.736 ( -0.006 -10.542 0.876) 10.579 9.948 ( -0.082 -0.217 -1.471) 1.489 9.948 ( -0.082 -0.217 1.471) 1.489 9.984 ( 0.017 -4.797 -1.857) 5.144 9.984 ( 0.017 -4.797 1.857) 5.144 10.144 ( 0.072 1.778 -2.021) 2.693 10.144 ( 0.072 1.778 2.021) 2.693 11.185 ( -0.407 3.426 -1.462) 3.747 11.185 ( -0.407 3.426 1.462) 3.747 11.709 ( 0.472 -4.378 -2.507) 5.067 11.709 ( 0.472 -4.378 2.507) 5.067 12.041 ( -0.503 10.016 -2.038) 10.234 12.041 ( -0.503 10.016 2.038) 10.234 12.920 ( 2.038 -6.502 -9.328) 11.551 12.920 ( 2.038 -6.502 9.328) 11.551 13.103 ( -2.062 -3.059 -7.100) 8.001 13.103 ( -2.062 -3.059 7.100) 8.001 16.167 ( -0.129 19.177 -3.050) 19.418 16.167 ( -0.129 19.177 3.050) 19.418 16.625 ( 0.006 17.655 -1.863) 17.753 16.625 ( 0.006 17.655 1.863) 17.753 21.138 ( 0.279 -25.422 -1.082) 25.446 21.138 ( 0.279 -25.422 1.082) 25.446 21.441 ( -0.378 -25.864 -2.147) 25.956 21.441 ( -0.378 -25.864 2.147) 25.956 22.553 ( 1.748 21.763 -2.814) 22.013 22.553 ( 1.748 21.763 2.814) 22.013 22.690 ( -2.690 19.850 -4.195) 20.466 22.690 ( -2.690 19.850 4.195) 20.466 23.242 ( -0.332 1.676 -2.285) 2.853 23.242 ( -0.332 1.676 2.285) 2.853 23.492 ( 0.199 6.323 -1.560) 6.516 23.492 ( 0.199 6.323 1.560) 6.516 104.765 ( 1.661 -0.302 -0.981) 1.952 104.765 ( 1.661 -0.302 0.981) 1.952 104.941 ( -1.401 -1.293 -1.201) 2.254 104.941 ( -1.401 -1.293 1.201) 2.254 106.774 ( 1.704 -2.094 -0.332) 2.720 106.774 ( 1.704 -2.094 0.332) 2.720 106.893 ( -1.342 -2.845 -2.398) 3.955 106.893 ( -1.342 -2.845 2.398) 3.955 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.000 1.898 0.000) 1.898 1.436 ( 0.000 1.898 0.000) 1.898 2.098 ( 0.000 0.079 0.000) 0.079 2.098 ( 0.000 0.079 0.000) 0.079 2.560 ( -0.000 17.804 -0.000) 17.804 2.560 ( 0.000 17.804 0.000) 17.804 2.606 ( 0.000 13.542 0.000) 13.542 2.606 ( 0.000 13.542 0.000) 13.542 3.552 ( -0.000 -1.796 -0.000) 1.796 3.552 ( 0.000 -1.796 -0.000) 1.796 3.590 ( -0.000 -4.479 0.000) 4.479 3.590 ( 0.000 -4.479 0.000) 4.479 3.914 ( 0.000 -1.178 0.000) 1.178 3.914 ( 0.000 -1.178 0.000) 1.178 4.124 ( 0.000 -0.643 0.000) 0.643 4.124 ( 0.000 -0.643 0.000) 0.643 4.218 ( 0.000 13.422 0.000) 13.422 4.218 ( 0.000 13.422 0.000) 13.422 4.337 ( -0.000 11.028 0.000) 11.028 4.337 ( 0.000 11.028 0.000) 11.028 5.291 ( -0.000 -1.043 0.000) 1.043 5.291 ( 0.000 -1.043 0.000) 1.043 5.529 ( 0.000 -4.686 0.000) 4.686 5.529 ( 0.000 -4.686 0.000) 4.686 8.195 ( 0.000 -5.088 0.000) 5.088 8.195 ( 0.000 -5.088 0.000) 5.088 8.404 ( 0.000 -2.814 0.000) 2.814 8.404 ( 0.000 -2.814 0.000) 2.814 8.758 ( 0.000 6.912 0.000) 6.912 8.758 ( 0.000 6.912 0.000) 6.912 9.736 ( 0.000 -10.476 0.000) 10.476 9.736 ( 0.000 -10.476 0.000) 10.476 9.947 ( 0.000 0.771 0.000) 0.771 9.947 ( 0.000 0.771 0.000) 0.771 9.984 ( 0.000 -5.780 0.000) 5.780 9.984 ( 0.000 -5.780 0.000) 5.780 10.145 ( 0.000 1.789 0.000) 1.789 10.145 ( 0.000 1.789 0.000) 1.789 11.179 ( -0.000 3.608 0.000) 3.608 11.179 ( 0.000 3.608 0.000) 3.608 11.715 ( 0.000 -4.887 0.000) 4.887 11.715 ( 0.000 -4.887 0.000) 4.887 12.035 ( 0.000 10.200 0.000) 10.200 12.035 ( 0.000 10.200 0.000) 10.200 12.951 ( -0.000 -7.845 0.000) 7.845 12.951 ( 0.000 -7.845 0.000) 7.845 13.071 ( -0.000 -1.364 -0.000) 1.364 13.071 ( 0.000 -1.364 -0.000) 1.364 16.166 ( 0.000 19.062 0.000) 19.062 16.166 ( 0.000 19.062 0.000) 19.062 16.625 ( 0.000 17.655 0.000) 17.655 16.625 ( 0.000 17.655 0.000) 17.655 21.142 ( 0.000 -25.294 0.000) 25.294 21.142 ( 0.000 -25.294 0.000) 25.294 21.437 ( 0.000 -26.040 0.000) 26.040 21.437 ( 0.000 -26.040 0.000) 26.040 22.586 ( 0.000 23.190 0.000) 23.190 22.586 ( 0.000 23.190 0.000) 23.190 22.644 ( -0.000 18.525 0.000) 18.525 22.644 ( 0.000 18.525 0.000) 18.525 23.238 ( 0.000 1.781 -0.000) 1.781 23.238 ( 0.000 1.781 0.000) 1.781 23.494 ( 0.000 6.380 0.000) 6.380 23.494 ( 0.000 6.380 0.000) 6.380 104.788 ( 0.000 -0.463 0.000) 0.463 104.788 ( 0.000 -0.463 0.000) 0.463 104.921 ( -0.000 -1.167 0.000) 1.167 104.921 ( 0.000 -1.167 0.000) 1.167 106.801 ( 0.000 -2.436 0.000) 2.436 106.801 ( 0.000 -2.436 0.000) 2.436 106.871 ( 0.000 -2.590 0.000) 2.590 106.871 ( 0.000 -2.590 0.000) 2.590 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 8.731 -7.033) 11.211 1.412 ( 0.000 8.731 7.033) 11.211 2.241 ( 0.000 4.596 -2.739) 5.350 2.241 ( 0.000 4.596 2.739) 5.350 2.806 ( 0.000 13.787 -16.444) 21.459 2.806 ( 0.000 13.787 16.444) 21.459 3.095 ( 0.000 17.064 -15.340) 22.945 3.095 ( 0.000 17.064 15.340) 22.945 3.422 ( 0.000 -1.445 -10.885) 10.981 3.422 ( 0.000 -1.445 10.885) 10.981 3.608 ( 0.000 -0.397 -9.867) 9.875 3.608 ( 0.000 -0.397 9.867) 9.875 3.917 ( 0.000 1.714 -4.349) 4.674 3.917 ( 0.000 1.714 4.349) 4.674 4.142 ( 0.000 4.153 -5.347) 6.770 4.142 ( 0.000 4.153 5.347) 6.770 4.459 ( 0.000 15.211 -3.472) 15.602 4.459 ( 0.000 15.211 3.472) 15.602 4.621 ( 0.000 11.882 -0.250) 11.884 4.621 ( 0.000 11.882 0.250) 11.884 5.279 ( 0.000 -0.919 -3.726) 3.837 5.279 ( 0.000 -0.919 3.726) 3.837 5.427 ( 0.000 -5.451 -1.151) 5.571 5.427 ( 0.000 -5.451 1.151) 5.571 8.079 ( 0.000 -4.815 -0.063) 4.816 8.079 ( 0.000 -4.815 0.063) 4.816 8.359 ( 0.000 -0.959 -0.995) 1.382 8.359 ( 0.000 -0.959 0.995) 1.382 8.920 ( 0.000 8.841 -1.412) 8.953 8.920 ( 0.000 8.841 1.412) 8.953 9.486 ( 0.000 -12.905 -0.227) 12.907 9.486 ( 0.000 -12.905 0.227) 12.907 9.809 ( 0.000 -8.818 -3.258) 9.401 9.809 ( 0.000 -8.818 3.258) 9.401 9.970 ( 0.000 -0.720 -2.275) 2.387 9.970 ( 0.000 -0.720 2.275) 2.387 10.189 ( 0.000 3.355 -3.369) 4.754 10.189 ( 0.000 3.355 3.369) 4.754 11.241 ( 0.000 0.053 -0.436) 0.439 11.241 ( 0.000 0.053 0.436) 0.439 11.608 ( 0.000 -4.112 -1.355) 4.330 11.608 ( 0.000 -4.112 1.355) 4.330 12.304 ( 0.000 13.237 -1.571) 13.330 12.304 ( 0.000 13.237 1.571) 13.330 12.698 ( 0.000 -12.501 -5.713) 13.744 12.698 ( 0.000 -12.501 5.713) 13.744 13.056 ( 0.000 -2.525 -3.764) 4.532 13.056 ( 0.000 -2.525 3.764) 4.532 16.670 ( 0.000 27.159 -12.305) 29.816 16.670 ( 0.000 27.159 12.305) 29.816 17.100 ( 0.000 26.501 -8.566) 27.851 17.100 ( 0.000 26.501 8.566) 27.851 20.609 ( 0.000 -24.116 -0.345) 24.118 20.609 ( 0.000 -24.116 0.345) 24.118 20.909 ( 0.000 -25.178 -2.555) 25.307 20.909 ( 0.000 -25.178 2.555) 25.307 22.837 ( 0.000 7.326 -3.731) 8.221 22.837 ( 0.000 7.326 3.731) 8.221 23.048 ( 0.000 6.286 -0.327) 6.294 23.048 ( 0.000 6.286 0.327) 6.294 23.377 ( 0.000 15.495 -4.323) 16.087 23.377 ( 0.000 15.495 4.323) 16.087 23.744 ( 0.000 17.635 -3.213) 17.926 23.744 ( 0.000 17.635 3.213) 17.926 104.741 ( 0.000 -0.210 -0.816) 0.843 104.741 ( 0.000 -0.210 0.816) 0.843 104.920 ( 0.000 -2.134 -1.356) 2.528 104.920 ( 0.000 -2.134 1.356) 2.528 106.701 ( 0.000 -3.172 -0.089) 3.174 106.701 ( 0.000 -3.172 0.089) 3.174 106.823 ( 0.000 -4.934 -2.125) 5.372 106.823 ( 0.000 -4.934 2.125) 5.372 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 4.721 8.077 -5.281) 10.743 1.470 ( 4.721 8.077 5.281) 10.743 2.198 ( -3.619 4.631 -2.342) 6.326 2.198 ( -3.619 4.631 2.342) 6.326 2.836 ( 2.775 13.407 -15.472) 20.660 2.836 ( 2.775 13.407 15.472) 20.660 3.043 ( -4.509 16.737 -14.677) 22.713 3.043 ( -4.509 16.737 14.677) 22.713 3.453 ( 2.726 -1.577 -9.823) 10.316 3.453 ( 2.726 -1.577 9.823) 10.316 3.586 ( -2.029 0.208 -9.223) 9.446 3.586 ( -2.029 0.208 9.223) 9.446 3.931 ( 1.076 3.281 -4.126) 5.380 3.931 ( 1.076 3.281 4.126) 5.380 4.137 ( -0.376 2.923 -4.631) 5.490 4.137 ( -0.376 2.923 4.631) 5.490 4.487 ( 2.535 15.410 -2.659) 15.842 4.487 ( 2.535 15.410 2.659) 15.842 4.613 ( -0.927 12.376 -1.133) 12.462 4.613 ( -0.927 12.376 1.133) 12.462 5.274 ( -0.470 -0.957 -2.635) 2.843 5.274 ( -0.470 -0.957 2.635) 2.843 5.416 ( -0.865 -6.103 -1.010) 6.246 5.416 ( -0.865 -6.103 1.010) 6.246 8.080 ( 0.063 -4.846 -0.050) 4.847 8.080 ( 0.063 -4.846 0.050) 4.847 8.360 ( 0.108 -0.983 -0.701) 1.212 8.360 ( 0.108 -0.983 0.701) 1.212 8.922 ( 0.129 8.762 -1.003) 8.820 8.922 ( 0.129 8.762 1.003) 8.820 9.487 ( 0.039 -12.903 -0.159) 12.904 9.487 ( 0.039 -12.903 0.159) 12.904 9.818 ( 0.754 -8.739 -2.608) 9.151 9.818 ( 0.754 -8.739 2.608) 9.151 9.959 ( -0.903 -0.878 -2.027) 2.386 9.959 ( -0.903 -0.878 2.027) 2.386 10.192 ( 0.262 3.527 -2.340) 4.241 10.192 ( 0.262 3.527 2.340) 4.241 11.240 ( -0.087 0.165 -0.305) 0.358 11.240 ( -0.087 0.165 0.305) 0.358 11.606 ( -0.115 -4.228 -0.955) 4.336 11.606 ( -0.115 -4.228 0.955) 4.336 12.294 ( -0.701 12.565 -1.133) 12.636 12.294 ( -0.701 12.565 1.133) 12.636 12.716 ( 1.462 -12.092 -4.342) 12.931 12.716 ( 1.462 -12.092 4.342) 12.931 13.048 ( -0.649 -2.041 -2.959) 3.653 13.048 ( -0.649 -2.041 2.959) 3.653 16.668 ( -0.204 27.192 -8.682) 28.545 16.668 ( -0.204 27.192 8.682) 28.545 17.099 ( -0.077 26.401 -6.038) 27.083 17.099 ( -0.077 26.401 6.038) 27.083 20.613 ( 0.345 -24.132 -0.253) 24.135 20.613 ( 0.345 -24.132 0.253) 24.135 20.904 ( -0.432 -25.126 -1.813) 25.195 20.904 ( -0.432 -25.126 1.813) 25.195 22.859 ( 2.081 7.030 -3.606) 8.171 22.859 ( 2.081 7.030 3.606) 8.171 23.012 ( -3.155 7.018 -1.263) 7.798 23.012 ( -3.155 7.018 1.263) 7.798 23.383 ( 0.435 15.488 -3.000) 15.782 23.383 ( 0.435 15.488 3.000) 15.782 23.744 ( -0.030 17.441 -2.284) 17.590 23.744 ( -0.030 17.441 2.284) 17.590 104.757 ( 1.356 -0.412 -0.882) 1.669 104.757 ( 1.356 -0.412 0.882) 1.669 104.906 ( -1.174 -1.988 -1.232) 2.616 104.906 ( -1.174 -1.988 1.232) 2.616 106.715 ( 1.188 -3.480 -0.282) 3.688 106.715 ( 1.188 -3.480 0.282) 3.688 106.812 ( -0.982 -4.718 -1.757) 5.130 106.812 ( -0.982 -4.718 1.757) 5.130 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 0.000 7.379 0.000) 7.379 1.534 ( 0.000 7.379 0.000) 7.379 2.148 ( 0.000 4.748 0.000) 4.748 2.148 ( 0.000 4.748 0.000) 4.748 2.890 ( -0.000 11.108 -0.000) 11.108 2.890 ( 0.000 11.108 -0.000) 11.108 2.967 ( 0.000 18.534 0.000) 18.534 2.967 ( 0.000 18.534 0.000) 18.534 3.500 ( -0.000 -3.751 -0.000) 3.751 3.500 ( 0.000 -3.751 0.000) 3.751 3.548 ( -0.000 2.681 0.000) 2.681 3.548 ( 0.000 2.681 0.000) 2.681 3.944 ( 0.000 4.938 -0.000) 4.938 3.944 ( 0.000 4.938 0.000) 4.938 4.132 ( 0.000 1.616 0.000) 1.616 4.132 ( 0.000 1.616 0.000) 1.616 4.530 ( 0.000 16.027 0.000) 16.027 4.530 ( 0.000 16.027 0.000) 16.027 4.591 ( -0.000 12.424 0.000) 12.424 4.591 ( 0.000 12.424 0.000) 12.424 5.267 ( 0.000 -0.998 0.000) 0.998 5.267 ( 0.000 -0.998 0.000) 0.998 5.405 ( 0.000 -6.781 0.000) 6.781 5.405 ( 0.000 -6.781 0.000) 6.781 8.081 ( 0.000 -4.877 0.000) 4.877 8.081 ( 0.000 -4.877 0.000) 4.877 8.362 ( 0.000 -1.007 0.000) 1.007 8.362 ( 0.000 -1.007 0.000) 1.007 8.923 ( 0.000 8.682 0.000) 8.682 8.923 ( 0.000 8.682 0.000) 8.682 9.487 ( 0.000 -12.902 0.000) 12.902 9.487 ( 0.000 -12.902 0.000) 12.902 9.829 ( 0.000 -8.737 0.000) 8.737 9.829 ( 0.000 -8.737 0.000) 8.737 9.947 ( 0.000 -0.945 -0.000) 0.945 9.947 ( 0.000 -0.945 0.000) 0.945 10.196 ( 0.000 3.687 0.000) 3.687 10.196 ( 0.000 3.687 0.000) 3.687 11.238 ( 0.000 0.277 0.000) 0.277 11.238 ( 0.000 0.277 0.000) 0.277 11.605 ( 0.000 -4.344 0.000) 4.344 11.605 ( 0.000 -4.344 0.000) 4.344 12.286 ( 0.000 12.002 0.000) 12.002 12.286 ( 0.000 12.002 0.000) 12.002 12.735 ( 0.000 -11.868 0.000) 11.868 12.735 ( 0.000 -11.868 0.000) 11.868 13.039 ( -0.000 -1.481 -0.000) 1.481 13.039 ( 0.000 -1.481 0.000) 1.481 16.665 ( 0.000 27.224 0.000) 27.224 16.665 ( 0.000 27.224 0.000) 27.224 17.098 ( 0.000 26.303 0.000) 26.303 17.098 ( 0.000 26.303 0.000) 26.303 20.617 ( 0.000 -24.149 0.000) 24.149 20.617 ( 0.000 -24.149 0.000) 24.149 20.898 ( 0.000 -25.071 0.000) 25.071 20.898 ( 0.000 -25.071 0.000) 25.071 22.899 ( 0.000 5.646 -0.000) 5.646 22.899 ( 0.000 5.646 0.000) 5.646 22.958 ( 0.000 8.787 0.000) 8.787 22.958 ( -0.000 8.787 0.000) 8.787 23.388 ( 0.000 15.531 0.000) 15.531 23.388 ( 0.000 15.531 0.000) 15.531 23.743 ( 0.000 17.247 0.000) 17.247 23.743 ( 0.000 17.247 0.000) 17.247 104.776 ( 0.000 -0.655 0.000) 0.655 104.776 ( 0.000 -0.655 0.000) 0.655 104.889 ( -0.000 -1.799 0.000) 1.799 104.889 ( 0.000 -1.799 0.000) 1.799 106.733 ( 0.000 -3.933 0.000) 3.933 106.733 ( 0.000 -3.933 0.000) 3.933 106.797 ( 0.000 -4.357 0.000) 4.357 106.797 ( 0.000 -4.357 0.000) 4.357 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 11.614 -4.204) 12.351 1.630 ( 0.000 11.614 4.204) 12.351 2.367 ( 0.000 6.939 -5.988) 9.165 2.367 ( 0.000 6.939 5.988) 9.165 2.960 ( 0.000 1.208 -9.568) 9.644 2.960 ( 0.000 1.208 9.568) 9.644 3.282 ( 0.000 1.881 -3.996) 4.417 3.282 ( 0.000 1.881 3.996) 4.417 3.451 ( 0.000 2.171 -2.589) 3.379 3.451 ( 0.000 2.171 2.589) 3.379 3.661 ( 0.000 4.146 -7.116) 8.236 3.661 ( 0.000 4.146 7.116) 8.236 4.060 ( 0.000 12.672 -4.734) 13.527 4.060 ( 0.000 12.672 4.734) 13.527 4.300 ( 0.000 11.580 -7.086) 13.576 4.300 ( 0.000 11.580 7.086) 13.576 4.781 ( 0.000 14.840 -2.459) 15.042 4.781 ( 0.000 14.840 2.459) 15.042 4.827 ( 0.000 8.213 -0.073) 8.213 4.827 ( 0.000 8.213 0.073) 8.213 5.261 ( 0.000 -0.938 -3.106) 3.244 5.261 ( 0.000 -0.938 3.106) 3.244 5.328 ( 0.000 -3.784 -0.806) 3.869 5.328 ( 0.000 -3.784 0.806) 3.869 8.028 ( 0.000 0.365 -0.020) 0.366 8.028 ( 0.000 0.365 0.020) 0.366 8.360 ( 0.000 0.981 -0.820) 1.278 8.360 ( 0.000 0.981 0.820) 1.278 9.109 ( 0.000 8.870 -0.694) 8.897 9.109 ( 0.000 8.870 0.694) 8.897 9.221 ( 0.000 -11.964 -0.999) 12.005 9.221 ( 0.000 -11.964 0.999) 12.005 9.617 ( 0.000 -9.406 -3.328) 9.978 9.617 ( 0.000 -9.406 3.328) 9.978 9.937 ( 0.000 -2.176 -0.036) 2.176 9.937 ( 0.000 -2.176 0.036) 2.176 10.297 ( 0.000 7.062 -1.607) 7.242 10.297 ( 0.000 7.062 1.607) 7.242 11.144 ( 0.000 -8.789 -0.093) 8.790 11.144 ( 0.000 -8.789 0.093) 8.790 11.566 ( 0.000 -0.613 -1.158) 1.310 11.566 ( 0.000 -0.613 1.158) 1.310 12.321 ( 0.000 -16.362 -1.246) 16.409 12.321 ( 0.000 -16.362 1.246) 16.409 12.637 ( 0.000 11.249 -2.264) 11.474 12.637 ( 0.000 11.249 2.264) 11.474 13.024 ( 0.000 -0.529 -1.766) 1.844 13.024 ( 0.000 -0.529 1.766) 1.844 17.237 ( 0.000 26.621 -17.296) 31.746 17.237 ( 0.000 26.621 17.296) 31.746 17.658 ( 0.000 26.131 -13.754) 29.530 17.658 ( 0.000 26.131 13.754) 29.530 20.157 ( 0.000 -19.296 -1.263) 19.338 20.157 ( 0.000 -19.296 1.263) 19.338 20.424 ( 0.000 -21.307 -0.962) 21.328 20.424 ( 0.000 -21.307 0.962) 21.328 22.904 ( 0.000 0.391 -2.399) 2.431 22.904 ( 0.000 0.391 2.399) 2.431 23.044 ( 0.000 -3.088 -4.896) 5.788 23.044 ( 0.000 -3.088 4.896) 5.788 23.796 ( 0.000 21.304 -4.076) 21.690 23.796 ( 0.000 21.304 4.076) 21.690 24.145 ( 0.000 19.493 -1.869) 19.582 24.145 ( 0.000 19.493 1.869) 19.582 104.737 ( 0.000 -0.133 -0.702) 0.715 104.737 ( 0.000 -0.133 0.702) 0.715 104.874 ( 0.000 -2.203 -1.260) 2.538 104.874 ( 0.000 -2.203 1.260) 2.538 106.629 ( 0.000 -3.637 -0.019) 3.637 106.629 ( 0.000 -3.637 0.019) 3.637 106.713 ( 0.000 -5.464 -1.282) 5.612 106.713 ( 0.000 -5.464 1.282) 5.612 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 3.421 10.724 -3.609) 11.821 1.671 ( 3.421 10.724 3.609) 11.821 2.328 ( -3.255 7.299 -4.655) 9.249 2.328 ( -3.255 7.299 4.655) 9.249 2.978 ( 1.498 0.855 -7.615) 7.807 2.978 ( 1.498 0.855 7.615) 7.807 3.259 ( -1.938 3.985 -5.505) 7.067 3.259 ( -1.938 3.985 5.505) 7.067 3.448 ( -0.121 0.519 -3.687) 3.725 3.448 ( -0.121 0.519 3.687) 3.725 3.661 ( -0.049 4.897 -5.068) 7.048 3.661 ( -0.049 4.897 5.068) 7.048 4.098 ( 3.315 12.881 -5.609) 14.435 4.098 ( 3.315 12.881 5.609) 14.435 4.272 ( -2.618 10.919 -7.312) 13.399 4.272 ( -2.618 10.919 7.312) 13.399 4.794 ( 1.441 12.062 -1.885) 12.294 4.794 ( 1.441 12.062 1.885) 12.294 4.847 ( 1.247 11.500 -1.929) 11.727 4.847 ( 1.247 11.500 1.929) 11.727 5.255 ( -0.353 -1.339 -2.492) 2.851 5.255 ( -0.353 -1.339 2.492) 2.851 5.301 ( -2.235 -4.090 -1.035) 4.774 5.301 ( -2.235 -4.090 1.035) 4.774 8.028 ( -0.006 0.320 -0.028) 0.321 8.028 ( -0.006 0.320 0.028) 0.321 8.362 ( 0.113 1.017 -0.577) 1.174 8.362 ( 0.113 1.017 0.577) 1.174 9.109 ( 0.028 8.943 -0.524) 8.958 9.109 ( 0.028 8.943 0.524) 8.958 9.221 ( -0.044 -12.221 -0.719) 12.243 9.221 ( -0.044 -12.221 0.719) 12.243 9.627 ( 0.837 -9.316 -2.574) 9.701 9.627 ( 0.837 -9.316 2.574) 9.701 9.925 ( -0.988 -2.163 -1.072) 2.609 9.925 ( -0.988 -2.163 1.072) 2.609 10.303 ( 0.443 7.099 -1.150) 7.205 10.303 ( 0.443 7.099 1.150) 7.205 11.142 ( -0.194 -8.920 -0.082) 8.922 11.142 ( -0.194 -8.920 0.082) 8.922 11.569 ( 0.182 -0.287 -0.833) 0.900 11.569 ( 0.182 -0.287 0.833) 0.900 12.310 ( -0.859 -15.257 -0.915) 15.308 12.310 ( -0.859 -15.257 0.915) 15.308 12.653 ( 1.226 9.909 -1.709) 10.129 12.653 ( 1.226 9.909 1.709) 10.129 13.022 ( -0.174 -0.378 -1.308) 1.373 13.022 ( -0.174 -0.378 1.308) 1.373 17.235 ( -0.085 26.709 -12.303) 29.407 17.235 ( -0.085 26.709 12.303) 29.407 17.655 ( -0.248 26.042 -9.792) 27.823 17.655 ( -0.248 26.042 9.792) 27.823 20.160 ( 0.286 -19.341 -0.915) 19.365 20.160 ( 0.286 -19.341 0.915) 19.365 20.421 ( -0.306 -21.220 -0.675) 21.232 20.421 ( -0.306 -21.220 0.675) 21.232 22.915 ( 0.990 -0.228 -2.839) 3.015 22.915 ( 0.990 -0.228 2.839) 3.015 23.029 ( -1.348 -2.242 -4.356) 5.081 23.029 ( -1.348 -2.242 4.356) 5.081 23.800 ( 0.291 21.367 -2.900) 21.565 23.800 ( 0.291 21.367 2.900) 21.565 24.142 ( -0.274 19.364 -1.358) 19.413 24.142 ( -0.274 19.364 1.358) 19.413 104.749 ( 0.997 -0.331 -0.717) 1.272 104.749 ( 0.997 -0.331 0.717) 1.272 104.864 ( -0.900 -2.050 -1.086) 2.488 104.864 ( -0.900 -2.050 1.086) 2.488 106.637 ( 0.644 -3.903 -0.186) 3.960 106.637 ( 0.644 -3.903 0.186) 3.960 106.707 ( -0.556 -5.249 -1.028) 5.378 106.707 ( -0.556 -5.249 1.028) 5.378 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 9.705 0.000) 9.705 1.718 ( 0.000 9.705 0.000) 9.705 2.284 ( 0.000 7.813 0.000) 7.813 2.284 ( 0.000 7.813 0.000) 7.813 2.998 ( 0.000 0.125 -0.000) 0.125 2.998 ( 0.000 0.125 0.000) 0.125 3.232 ( 0.000 6.325 0.000) 6.325 3.232 ( 0.000 6.325 0.000) 6.325 3.448 ( 0.000 -1.086 0.000) 1.086 3.448 ( 0.000 -1.086 0.000) 1.086 3.660 ( 0.000 5.648 -0.000) 5.648 3.660 ( 0.000 5.648 0.000) 5.648 4.154 ( -0.000 15.004 -0.000) 15.004 4.154 ( 0.000 15.004 -0.000) 15.004 4.224 ( -0.000 8.419 0.000) 8.419 4.224 ( 0.000 8.419 0.000) 8.419 4.819 ( 0.000 9.109 0.000) 9.109 4.819 ( 0.000 9.109 0.000) 9.109 4.858 ( 0.000 15.137 0.000) 15.137 4.858 ( -0.000 15.137 0.000) 15.137 5.256 ( -0.000 -0.123 0.000) 0.123 5.256 ( -0.000 -0.123 0.000) 0.123 5.267 ( 0.000 -6.186 -0.000) 6.186 5.267 ( 0.000 -6.186 0.000) 6.186 8.028 ( 0.000 0.275 0.000) 0.275 8.028 ( 0.000 0.275 0.000) 0.275 8.363 ( 0.000 1.052 0.000) 1.052 8.363 ( 0.000 1.052 0.000) 1.052 9.110 ( 0.000 9.046 0.000) 9.046 9.110 ( 0.000 9.046 0.000) 9.046 9.220 ( 0.000 -12.508 0.000) 12.508 9.220 ( 0.000 -12.508 0.000) 12.508 9.638 ( 0.000 -9.250 0.000) 9.250 9.638 ( 0.000 -9.250 0.000) 9.250 9.912 ( 0.000 -2.132 -0.000) 2.132 9.912 ( 0.000 -2.132 0.000) 2.132 10.309 ( 0.000 7.139 0.000) 7.139 10.309 ( 0.000 7.139 0.000) 7.139 11.139 ( 0.000 -9.047 0.000) 9.047 11.139 ( 0.000 -9.047 0.000) 9.047 11.571 ( 0.000 0.036 0.000) 0.036 11.571 ( 0.000 0.036 0.000) 0.036 12.299 ( 0.000 -14.382 0.000) 14.382 12.299 ( 0.000 -14.382 0.000) 14.382 12.668 ( 0.000 8.787 0.000) 8.787 12.668 ( 0.000 8.787 0.000) 8.787 13.019 ( 0.000 -0.217 0.000) 0.217 13.019 ( 0.000 -0.217 0.000) 0.217 17.234 ( 0.000 26.799 -0.000) 26.799 17.234 ( 0.000 26.799 0.000) 26.799 17.652 ( 0.000 25.951 -0.000) 25.951 17.652 ( 0.000 25.951 0.000) 25.951 20.164 ( 0.000 -19.389 0.000) 19.389 20.164 ( 0.000 -19.389 0.000) 19.389 20.417 ( 0.000 -21.129 0.000) 21.129 20.417 ( 0.000 -21.129 0.000) 21.129 22.930 ( 0.000 -1.287 -0.000) 1.287 22.930 ( 0.000 -1.287 0.000) 1.287 23.009 ( 0.000 -0.961 -0.000) 0.961 23.009 ( -0.000 -0.961 0.000) 0.961 23.804 ( 0.000 21.440 0.000) 21.440 23.804 ( 0.000 21.440 0.000) 21.440 24.138 ( 0.000 19.229 0.000) 19.229 24.138 ( -0.000 19.229 0.000) 19.229 104.763 ( 0.000 -0.573 0.000) 0.573 104.763 ( 0.000 -0.573 0.000) 0.573 104.850 ( -0.000 -1.854 0.000) 1.854 104.850 ( 0.000 -1.854 0.000) 1.854 106.646 ( 0.000 -4.266 0.000) 4.266 106.646 ( 0.000 -4.266 0.000) 4.266 106.698 ( 0.000 -4.938 0.000) 4.938 106.698 ( 0.000 -4.938 0.000) 4.938 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 10.994 -2.803) 11.346 1.869 ( 0.000 10.994 2.803) 11.346 2.487 ( 0.000 3.185 -7.871) 8.491 2.487 ( 0.000 3.185 7.871) 8.491 2.945 ( 0.000 0.017 -2.522) 2.522 2.945 ( 0.000 0.017 2.522) 2.522 3.297 ( 0.000 0.762 -2.325) 2.447 3.297 ( 0.000 0.762 2.325) 2.447 3.465 ( 0.000 -0.316 -2.401) 2.421 3.465 ( 0.000 -0.316 2.401) 2.421 3.684 ( 0.000 -2.144 -3.437) 4.051 3.684 ( 0.000 -2.144 3.437) 4.051 4.384 ( 0.000 16.606 -2.637) 16.814 4.384 ( 0.000 16.606 2.637) 16.814 4.588 ( 0.000 14.474 -3.574) 14.908 4.588 ( 0.000 14.474 3.574) 14.908 4.939 ( 0.000 4.545 -0.188) 4.549 4.939 ( 0.000 4.545 0.188) 4.549 5.085 ( 0.000 12.744 -1.691) 12.856 5.085 ( 0.000 12.744 1.691) 12.856 5.226 ( 0.000 -2.526 -0.685) 2.617 5.226 ( 0.000 -2.526 0.685) 2.617 5.287 ( 0.000 -0.199 -3.312) 3.318 5.287 ( 0.000 -0.199 3.312) 3.318 8.098 ( 0.000 6.024 -0.346) 6.034 8.098 ( 0.000 6.024 0.346) 6.034 8.392 ( 0.000 1.834 -0.091) 1.837 8.392 ( 0.000 1.834 0.091) 1.837 8.982 ( 0.000 -9.813 -0.106) 9.813 8.982 ( 0.000 -9.813 0.106) 9.813 9.260 ( 0.000 0.507 -0.181) 0.539 9.260 ( 0.000 0.507 0.181) 0.539 9.473 ( 0.000 -0.298 -0.164) 0.340 9.473 ( 0.000 -0.298 0.164) 0.340 9.892 ( 0.000 -1.979 -0.640) 2.080 9.892 ( 0.000 -1.979 0.640) 2.080 10.475 ( 0.000 9.873 -0.362) 9.879 10.475 ( 0.000 9.873 0.362) 9.879 10.934 ( 0.000 -10.243 -0.299) 10.247 10.934 ( 0.000 -10.243 0.299) 10.247 11.530 ( 0.000 -3.691 -3.505) 5.090 11.530 ( 0.000 -3.691 3.505) 5.090 11.923 ( 0.000 -20.696 -2.845) 20.891 11.923 ( 0.000 -20.696 2.845) 20.891 12.865 ( 0.000 9.570 -0.317) 9.575 12.865 ( 0.000 9.570 0.317) 9.575 13.035 ( 0.000 1.559 -0.443) 1.621 13.035 ( 0.000 1.559 0.443) 1.621 17.752 ( 0.000 22.776 -18.441) 29.306 17.752 ( 0.000 22.776 18.441) 29.306 18.145 ( 0.000 20.241 -15.502) 25.495 18.145 ( 0.000 20.241 15.502) 25.495 19.812 ( 0.000 -13.890 -2.922) 14.194 19.812 ( 0.000 -13.890 2.922) 14.194 20.033 ( 0.000 -16.435 -1.368) 16.492 20.033 ( 0.000 -16.435 1.368) 16.492 22.882 ( 0.000 -2.102 -2.977) 3.644 22.882 ( 0.000 -2.102 2.977) 3.644 22.972 ( 0.000 -3.551 -4.682) 5.877 22.972 ( 0.000 -3.551 4.682) 5.877 24.209 ( 0.000 18.123 -2.265) 18.264 24.209 ( 0.000 18.123 2.265) 18.264 24.509 ( 0.000 14.963 -1.097) 15.003 24.509 ( 0.000 14.963 1.097) 15.003 104.736 ( 0.000 -0.001 -0.528) 0.528 104.736 ( 0.000 -0.001 0.528) 0.528 104.831 ( 0.000 -1.867 -0.932) 2.087 104.831 ( 0.000 -1.867 0.932) 2.087 106.556 ( 0.000 -3.273 -0.103) 3.275 106.556 ( 0.000 -3.273 0.103) 3.275 106.605 ( 0.000 -4.746 -0.562) 4.779 106.605 ( 0.000 -4.746 0.562) 4.779 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.763 10.013 -2.648) 10.506 1.891 ( 1.763 10.013 2.648) 10.506 2.460 ( -2.169 4.042 -6.000) 7.552 2.460 ( -2.169 4.042 6.000) 7.552 2.962 ( 1.322 0.057 -1.891) 2.308 2.962 ( 1.322 0.057 1.891) 2.308 3.291 ( -0.530 0.637 -1.755) 1.940 3.291 ( -0.530 0.637 1.755) 1.940 3.454 ( -0.883 -0.128 -1.554) 1.792 3.454 ( -0.883 -0.128 1.554) 1.792 3.692 ( 0.588 -1.957 -2.267) 3.052 3.692 ( 0.588 -1.957 2.267) 3.052 4.416 ( 2.964 16.265 -2.897) 16.785 4.416 ( 2.964 16.265 2.897) 16.785 4.560 ( -2.669 14.935 -3.900) 15.665 4.560 ( -2.669 14.935 3.900) 15.665 4.949 ( 1.133 5.056 -0.655) 5.223 4.949 ( 1.133 5.056 0.655) 5.223 5.107 ( 1.264 10.557 -1.224) 10.703 5.107 ( 1.264 10.557 1.224) 10.703 5.200 ( -1.714 -1.852 -1.347) 2.861 5.200 ( -1.714 -1.852 1.347) 2.861 5.276 ( -1.072 0.393 -1.460) 1.853 5.276 ( -1.072 0.393 1.460) 1.853 8.097 ( -0.063 6.002 -0.242) 6.008 8.097 ( -0.063 6.002 0.242) 6.008 8.395 ( 0.238 1.960 -0.137) 1.980 8.395 ( 0.238 1.960 0.137) 1.980 8.983 ( 0.061 -9.891 -0.197) 9.893 8.983 ( 0.061 -9.891 0.197) 9.893 9.252 ( -0.560 0.450 -0.890) 1.144 9.252 ( -0.560 0.450 0.890) 1.144 9.487 ( 1.071 -0.372 -1.353) 1.765 9.487 ( 1.071 -0.372 1.353) 1.765 9.881 ( -0.880 -1.879 -0.965) 2.288 9.881 ( -0.880 -1.879 0.965) 2.288 10.480 ( 0.378 9.758 -0.332) 9.771 10.480 ( 0.378 9.758 0.332) 9.771 10.930 ( -0.286 -10.237 -0.203) 10.243 10.930 ( -0.286 -10.237 0.203) 10.243 11.537 ( 0.582 -3.540 -2.544) 4.398 11.537 ( 0.582 -3.540 2.544) 4.398 11.919 ( -0.305 -20.651 -2.075) 20.758 11.919 ( -0.305 -20.651 2.075) 20.758 12.869 ( 0.283 9.331 -0.229) 9.338 12.869 ( 0.283 9.331 0.229) 9.338 13.035 ( -0.005 1.602 -0.320) 1.634 13.035 ( -0.005 1.602 0.320) 1.634 17.752 ( 0.046 22.851 -13.202) 26.391 17.752 ( 0.046 22.851 13.202) 26.391 18.141 ( -0.333 20.225 -11.119) 23.082 18.141 ( -0.333 20.225 11.119) 23.082 19.815 ( 0.198 -13.953 -2.108) 14.113 19.815 ( 0.198 -13.953 2.108) 14.113 20.031 ( -0.156 -16.341 -1.012) 16.373 20.031 ( -0.156 -16.341 1.012) 16.373 22.882 ( 0.043 -2.418 -2.321) 3.352 22.882 ( 0.043 -2.418 2.321) 3.352 22.969 ( -0.214 -3.178 -3.472) 4.711 22.969 ( -0.214 -3.178 3.472) 4.711 24.215 ( 0.481 18.220 -1.638) 18.299 24.215 ( 0.481 18.220 1.638) 18.299 24.503 ( -0.462 14.884 -0.818) 14.914 24.503 ( -0.462 14.884 0.818) 14.914 104.744 ( 0.685 -0.153 -0.514) 0.870 104.744 ( 0.685 -0.153 0.514) 0.870 104.824 ( -0.644 -1.740 -0.788) 2.016 104.824 ( -0.644 -1.740 0.788) 2.016 106.559 ( 0.248 -3.442 -0.115) 3.452 106.559 ( 0.248 -3.442 0.115) 3.452 106.603 ( -0.216 -4.598 -0.435) 4.624 106.603 ( -0.216 -4.598 0.435) 4.624 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 8.917 0.000) 8.917 1.914 ( 0.000 8.917 0.000) 8.917 2.431 ( 0.000 4.987 0.000) 4.987 2.431 ( 0.000 4.987 0.000) 4.987 2.979 ( 0.000 0.136 -0.000) 0.136 2.979 ( 0.000 0.136 0.000) 0.136 3.284 ( 0.000 0.528 -0.000) 0.528 3.284 ( -0.000 0.528 0.000) 0.528 3.443 ( -0.000 0.030 0.000) 0.030 3.443 ( 0.000 0.030 0.000) 0.030 3.699 ( 0.000 -1.783 -0.000) 1.783 3.699 ( 0.000 -1.783 0.000) 1.783 4.483 ( -0.000 15.106 -0.000) 15.106 4.483 ( 0.000 15.106 -0.000) 15.106 4.496 ( -0.000 16.213 0.000) 16.213 4.496 ( 0.000 16.213 0.000) 16.213 4.970 ( -0.000 5.796 0.000) 5.796 4.970 ( 0.000 5.796 0.000) 5.796 5.109 ( 0.000 3.904 0.000) 3.904 5.109 ( 0.000 3.904 0.000) 3.904 5.191 ( 0.000 3.891 0.000) 3.891 5.191 ( 0.000 3.891 0.000) 3.891 5.258 ( -0.000 0.175 0.000) 0.175 5.258 ( 0.000 0.175 0.000) 0.175 8.096 ( 0.000 5.982 -0.000) 5.982 8.096 ( 0.000 5.982 0.000) 5.982 8.398 ( 0.000 2.086 0.000) 2.086 8.398 ( 0.000 2.086 0.000) 2.086 8.984 ( 0.000 -9.973 0.000) 9.973 8.984 ( 0.000 -9.973 0.000) 9.973 9.245 ( 0.000 0.406 0.000) 0.406 9.245 ( 0.000 0.406 0.000) 0.406 9.500 ( 0.000 -0.460 0.000) 0.460 9.500 ( 0.000 -0.460 0.000) 0.460 9.869 ( 0.000 -1.780 -0.000) 1.780 9.869 ( 0.000 -1.780 0.000) 1.780 10.485 ( 0.000 9.651 0.000) 9.651 10.485 ( 0.000 9.651 0.000) 9.651 10.926 ( 0.000 -10.232 0.000) 10.232 10.926 ( 0.000 -10.232 0.000) 10.232 11.545 ( 0.000 -3.381 0.000) 3.381 11.545 ( 0.000 -3.381 0.000) 3.381 11.915 ( 0.000 -20.618 -0.000) 20.618 11.915 ( 0.000 -20.618 0.000) 20.618 12.873 ( 0.000 9.091 0.000) 9.091 12.873 ( 0.000 9.091 0.000) 9.091 13.035 ( 0.000 1.648 0.000) 1.648 13.035 ( 0.000 1.648 0.000) 1.648 17.753 ( 0.000 22.928 -0.000) 22.928 17.753 ( 0.000 22.928 0.000) 22.928 18.137 ( -0.000 20.207 -0.000) 20.207 18.137 ( -0.000 20.207 0.000) 20.207 19.818 ( 0.000 -14.019 0.000) 14.019 19.818 ( -0.000 -14.019 0.000) 14.019 20.029 ( 0.000 -16.244 0.000) 16.244 20.029 ( 0.000 -16.244 0.000) 16.244 22.883 ( 0.000 -2.757 -0.000) 2.757 22.883 ( 0.000 -2.757 0.000) 2.757 22.966 ( 0.000 -2.781 -0.000) 2.781 22.966 ( 0.000 -2.781 0.000) 2.781 24.221 ( 0.000 18.327 0.000) 18.327 24.221 ( 0.000 18.327 0.000) 18.327 24.497 ( 0.000 14.796 0.000) 14.796 24.497 ( -0.000 14.796 0.000) 14.796 104.754 ( 0.000 -0.335 0.000) 0.335 104.754 ( 0.000 -0.335 0.000) 0.335 104.814 ( 0.000 -1.583 0.000) 1.583 104.814 ( 0.000 -1.583 0.000) 1.583 106.563 ( 0.000 -3.648 0.000) 3.648 106.563 ( 0.000 -3.648 0.000) 3.648 106.600 ( 0.000 -4.413 0.000) 4.413 106.600 ( 0.000 -4.413 0.000) 4.413 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.000 8.596 -1.570) 8.738 2.073 ( 0.000 8.596 1.570) 8.738 2.469 ( 0.000 -4.159 -4.392) 6.049 2.469 ( 0.000 -4.159 4.392) 6.049 3.016 ( 0.000 6.225 -2.941) 6.885 3.016 ( 0.000 6.225 2.941) 6.885 3.330 ( 0.000 2.235 -0.761) 2.361 3.330 ( 0.000 2.235 0.761) 2.361 3.441 ( 0.000 -2.193 -4.455) 4.965 3.441 ( 0.000 -2.193 4.455) 4.965 3.602 ( 0.000 -4.866 -0.336) 4.878 3.602 ( 0.000 -4.866 0.336) 4.878 4.698 ( 0.000 12.943 -0.756) 12.965 4.698 ( 0.000 12.943 0.756) 12.965 4.833 ( 0.000 7.997 -1.388) 8.116 4.833 ( 0.000 7.997 1.388) 8.116 5.041 ( 0.000 5.840 -0.791) 5.894 5.041 ( 0.000 5.840 0.791) 5.894 5.169 ( 0.000 -2.669 -1.213) 2.932 5.169 ( 0.000 -2.669 1.213) 2.932 5.268 ( 0.000 2.431 -1.665) 2.946 5.268 ( 0.000 2.431 1.665) 2.946 5.328 ( 0.000 5.752 -1.352) 5.909 5.328 ( 0.000 5.752 1.352) 5.909 8.255 ( 0.000 8.439 -1.854) 8.640 8.255 ( 0.000 8.439 1.854) 8.640 8.428 ( 0.000 1.577 -2.724) 3.148 8.428 ( 0.000 1.577 2.724) 3.148 8.820 ( 0.000 -5.609 -2.219) 6.032 8.820 ( 0.000 -5.609 2.219) 6.032 9.118 ( 0.000 -9.758 -3.754) 10.455 9.118 ( 0.000 -9.758 3.755) 10.455 9.611 ( 0.000 8.686 -3.729) 9.453 9.611 ( 0.000 8.686 3.729) 9.453 9.860 ( 0.000 -1.084 -0.537) 1.210 9.860 ( 0.000 -1.084 0.537) 1.210 10.696 ( 0.000 10.933 -1.290) 11.008 10.696 ( 0.000 10.933 1.290) 11.008 10.770 ( 0.000 -3.988 -1.203) 4.166 10.770 ( 0.000 -3.988 1.203) 4.166 11.398 ( 0.000 -9.630 -10.158) 13.998 11.398 ( 0.000 -9.630 10.158) 13.998 11.497 ( 0.000 -19.051 -9.332) 21.214 11.497 ( 0.000 -19.051 9.332) 21.214 13.015 ( 0.000 4.608 -2.130) 5.076 13.015 ( 0.000 4.608 2.130) 5.076 13.086 ( 0.000 3.288 -1.329) 3.546 13.086 ( 0.000 3.288 1.329) 3.546 18.170 ( 0.000 17.283 -15.771) 23.397 18.170 ( 0.000 17.283 15.771) 23.397 18.478 ( 0.000 11.444 -12.279) 16.785 18.478 ( 0.000 11.444 12.279) 16.785 19.584 ( 0.000 -7.973 -3.146) 8.571 19.584 ( 0.000 -7.973 3.146) 8.571 19.744 ( 0.000 -11.470 -3.651) 12.037 19.744 ( 0.000 -11.470 3.651) 12.037 22.835 ( 0.000 -1.934 -3.266) 3.796 22.835 ( 0.000 -1.934 3.266) 3.796 22.902 ( 0.000 -3.165 -2.781) 4.213 22.902 ( 0.000 -3.165 2.781) 4.213 24.537 ( 0.000 13.296 -0.838) 13.322 24.537 ( 0.000 13.296 0.838) 13.322 24.749 ( 0.000 7.944 -0.816) 7.986 24.749 ( 0.000 7.944 0.816) 7.986 104.737 ( 0.000 0.129 -0.317) 0.342 104.737 ( 0.000 0.129 0.317) 0.342 104.798 ( 0.000 -1.315 -0.539) 1.422 104.798 ( 0.000 -1.315 0.539) 1.422 106.498 ( 0.000 -2.241 -0.176) 2.248 106.498 ( 0.000 -2.241 0.176) 2.248 106.522 ( 0.000 -3.171 -0.083) 3.172 106.522 ( 0.000 -3.171 0.083) 3.172 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.334 7.941 -1.358) 8.063 2.077 ( 0.334 7.941 1.358) 8.063 2.458 ( -0.876 -3.671 -3.378) 5.065 2.458 ( -0.876 -3.671 3.378) 5.065 3.035 ( 1.551 6.440 -2.434) 7.057 3.035 ( 1.551 6.440 2.434) 7.057 3.313 ( -1.334 1.571 -1.138) 2.354 3.313 ( -1.334 1.571 1.138) 2.354 3.438 ( -0.216 -1.429 -2.989) 3.320 3.438 ( -0.216 -1.429 2.989) 3.320 3.610 ( 0.618 -5.138 -0.160) 5.177 3.610 ( 0.618 -5.138 0.160) 5.177 4.722 ( 2.300 12.400 -0.668) 12.629 4.722 ( 2.300 12.400 0.668) 12.629 4.820 ( -1.373 8.920 -1.430) 9.137 4.820 ( -1.373 8.920 1.430) 9.137 5.048 ( 0.868 5.125 -0.764) 5.254 5.048 ( 0.868 5.125 0.765) 5.254 5.138 ( -2.642 -1.362 -0.173) 2.978 5.138 ( -2.642 -1.362 0.173) 2.978 5.266 ( -0.108 1.513 -1.277) 1.983 5.266 ( -0.108 1.513 1.277) 1.983 5.340 ( 0.796 5.824 -1.241) 6.008 5.340 ( 0.796 5.824 1.241) 6.008 8.255 ( -0.034 8.544 -1.283) 8.640 8.255 ( -0.034 8.544 1.283) 8.640 8.434 ( 0.503 1.703 -1.933) 2.625 8.434 ( 0.503 1.703 1.933) 2.625 8.819 ( -0.079 -5.647 -1.648) 5.883 8.819 ( -0.079 -5.647 1.648) 5.883 9.112 ( -0.442 -9.925 -2.707) 10.297 9.112 ( -0.442 -9.925 2.707) 10.297 9.619 ( 0.654 8.605 -2.842) 9.085 9.619 ( 0.654 8.605 2.842) 9.085 9.851 ( -0.733 -1.027 -0.905) 1.552 9.851 ( -0.733 -1.027 0.905) 1.552 10.699 ( 0.181 10.934 -0.979) 10.980 10.699 ( 0.181 10.934 0.979) 10.980 10.767 ( -0.301 -4.156 -0.868) 4.256 10.767 ( -0.301 -4.156 0.868) 4.256 11.410 ( 0.934 -9.243 -8.618) 12.672 11.410 ( 0.934 -9.243 8.618) 12.672 11.490 ( -0.579 -19.464 -8.043) 21.068 11.490 ( -0.579 -19.464 8.043) 21.068 13.020 ( 0.416 5.007 -1.667) 5.293 13.020 ( 0.416 5.007 1.667) 5.293 13.083 ( -0.292 2.863 -1.099) 3.080 13.083 ( -0.292 2.863 1.099) 3.080 18.172 ( 0.209 17.433 -11.404) 20.833 18.172 ( 0.209 17.433 11.404) 20.833 18.473 ( -0.361 11.392 -8.944) 14.488 18.473 ( -0.361 11.392 8.944) 14.488 19.585 ( 0.081 -8.042 -2.250) 8.351 19.585 ( 0.081 -8.042 2.250) 8.351 19.744 ( -0.008 -11.393 -2.596) 11.685 19.744 ( -0.008 -11.393 2.596) 11.685 22.834 ( -0.127 -1.885 -2.254) 2.942 22.834 ( -0.127 -1.885 2.254) 2.942 22.902 ( 0.030 -3.174 -1.910) 3.704 22.902 ( 0.030 -3.174 1.910) 3.704 24.543 ( 0.519 13.236 -0.625) 13.261 24.543 ( 0.519 13.236 0.625) 13.261 24.742 ( -0.500 7.985 -0.611) 8.024 24.742 ( -0.500 7.985 0.611) 8.024 104.743 ( 0.485 0.054 -0.310) 0.578 104.743 ( 0.485 0.054 0.310) 0.578 104.793 ( -0.471 -1.250 -0.461) 1.413 104.793 ( -0.471 -1.250 0.461) 1.413 106.499 ( 0.055 -2.292 -0.131) 2.297 106.499 ( 0.055 -2.292 0.131) 2.297 106.522 ( -0.045 -3.127 -0.066) 3.128 106.522 ( -0.045 -3.127 0.066) 3.128 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 7.262 0.000) 7.262 2.082 ( 0.000 7.262 0.000) 7.262 2.447 ( 0.000 -3.169 0.000) 3.169 2.447 ( 0.000 -3.169 0.000) 3.169 3.056 ( -0.000 6.809 0.000) 6.809 3.056 ( 0.000 6.809 0.000) 6.809 3.295 ( 0.000 0.854 -0.000) 0.854 3.295 ( -0.000 0.854 0.000) 0.854 3.435 ( -0.000 -0.802 0.000) 0.802 3.435 ( 0.000 -0.802 0.000) 0.802 3.618 ( 0.000 -5.364 -0.000) 5.364 3.618 ( 0.000 -5.364 0.000) 5.364 4.776 ( -0.001 11.465 -0.000) 11.465 4.776 ( 0.000 11.465 -0.000) 11.465 4.778 ( -0.000 10.352 0.000) 10.352 4.778 ( 0.001 10.352 0.000) 10.352 5.074 ( -0.000 4.578 0.000) 4.578 5.074 ( 0.000 4.578 0.000) 4.578 5.090 ( -0.000 -0.608 0.000) 0.608 5.090 ( 0.000 -0.608 -0.000) 0.608 5.264 ( 0.000 0.830 -0.000) 0.830 5.264 ( 0.000 0.830 0.000) 0.830 5.349 ( 0.000 5.931 0.000) 5.931 5.349 ( 0.000 5.931 0.000) 5.931 8.255 ( 0.000 8.641 -0.000) 8.641 8.255 ( 0.000 8.641 -0.000) 8.641 8.441 ( 0.000 1.851 0.000) 1.851 8.441 ( 0.000 1.851 0.000) 1.851 8.818 ( 0.000 -5.690 0.000) 5.690 8.818 ( 0.000 -5.690 0.000) 5.690 9.107 ( 0.000 -10.105 0.000) 10.105 9.107 ( 0.000 -10.105 0.000) 10.105 9.627 ( 0.000 8.551 0.000) 8.551 9.627 ( 0.000 8.551 0.000) 8.551 9.841 ( 0.000 -0.997 -0.000) 0.997 9.841 ( 0.000 -0.997 0.000) 0.997 10.701 ( -0.000 11.020 -0.000) 11.020 10.701 ( 0.000 11.020 0.000) 11.020 10.763 ( 0.000 -4.403 -0.000) 4.403 10.763 ( 0.000 -4.403 0.000) 4.403 11.423 ( 0.000 -8.178 0.000) 8.178 11.423 ( -0.000 -8.178 0.000) 8.178 11.481 ( 0.000 -20.553 -0.000) 20.553 11.481 ( 0.000 -20.553 -0.000) 20.553 13.025 ( 0.000 5.571 -0.000) 5.571 13.025 ( 0.000 5.571 0.000) 5.571 13.079 ( 0.000 2.271 0.000) 2.271 13.079 ( -0.000 2.271 0.000) 2.271 18.175 ( 0.000 17.589 -0.000) 17.589 18.175 ( 0.000 17.589 0.000) 17.589 18.469 ( -0.000 11.332 -0.000) 11.332 18.469 ( -0.000 11.332 0.000) 11.332 19.586 ( 0.000 -8.110 0.000) 8.110 19.586 ( -0.000 -8.110 0.000) 8.110 19.744 ( 0.000 -11.316 -0.000) 11.316 19.744 ( 0.000 -11.316 0.000) 11.316 22.832 ( 0.000 -1.837 0.000) 1.837 22.832 ( 0.000 -1.837 0.000) 1.837 22.903 ( -0.000 -3.182 -0.000) 3.182 22.903 ( 0.000 -3.182 0.000) 3.182 24.550 ( 0.000 13.182 0.000) 13.182 24.550 ( 0.000 13.182 0.000) 13.182 24.736 ( 0.000 8.021 0.000) 8.021 24.736 ( -0.000 8.021 0.000) 8.021 104.750 ( 0.000 -0.013 0.000) 0.013 104.750 ( 0.000 -0.013 0.000) 0.013 104.786 ( 0.000 -1.193 0.000) 1.193 104.786 ( 0.000 -1.193 0.000) 1.193 106.500 ( 0.000 -2.348 0.000) 2.348 106.500 ( 0.000 -2.348 0.000) 2.348 106.521 ( -0.000 -3.079 0.000) 3.079 106.521 ( 0.000 -3.079 0.000) 3.079 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 6.426 -0.497) 6.445 2.227 ( 0.000 6.426 0.497) 6.445 2.360 ( 0.000 -5.699 -1.149) 5.814 2.360 ( 0.000 -5.699 1.149) 5.814 3.160 ( 0.000 6.754 -1.643) 6.951 3.160 ( 0.000 6.754 1.643) 6.951 3.322 ( 0.000 -4.672 -2.088) 5.117 3.322 ( 0.000 -4.672 2.088) 5.117 3.425 ( 0.000 2.382 -0.080) 2.383 3.425 ( 0.000 2.382 0.080) 2.383 3.513 ( 0.000 -3.437 -0.352) 3.455 3.513 ( 0.000 -3.437 0.352) 3.455 4.896 ( 0.000 5.100 -0.064) 5.101 4.896 ( 0.000 5.100 0.064) 5.101 4.928 ( 0.000 2.680 -0.846) 2.810 4.928 ( 0.000 2.680 0.846) 2.810 5.095 ( 0.000 -1.963 -1.243) 2.324 5.095 ( 0.000 -1.963 1.243) 2.324 5.185 ( 0.000 4.373 -0.194) 4.377 5.185 ( 0.000 4.372 0.195) 4.377 5.275 ( 0.000 -0.690 -1.588) 1.732 5.275 ( 0.000 -0.690 1.588) 1.732 5.419 ( 0.000 2.082 -1.392) 2.505 5.419 ( 0.000 2.082 1.392) 2.505 8.389 ( 0.000 2.636 -4.197) 4.956 8.389 ( 0.000 2.636 4.197) 4.956 8.476 ( 0.000 3.465 -6.457) 7.328 8.476 ( 0.000 3.465 6.457) 7.328 8.751 ( 0.000 -1.314 -5.079) 5.246 8.751 ( 0.000 -1.314 5.079) 5.246 8.934 ( 0.000 -6.471 -3.811) 7.510 8.934 ( 0.000 -6.471 3.811) 7.510 9.744 ( 0.000 3.376 -3.106) 4.587 9.744 ( 0.000 3.376 3.106) 4.587 9.847 ( 0.000 -0.160 -1.698) 1.705 9.847 ( 0.000 -0.160 1.698) 1.705 10.788 ( 0.000 6.852 -2.115) 7.172 10.788 ( 0.000 6.852 2.115) 7.172 10.919 ( 0.000 5.973 -2.561) 6.499 10.919 ( 0.000 5.973 2.561) 6.499 11.105 ( 0.000 -10.472 -2.674) 10.808 11.105 ( 0.000 -10.472 2.674) 10.808 11.221 ( 0.000 -10.893 -2.960) 11.288 11.221 ( 0.000 -10.893 2.960) 11.288 13.069 ( 0.000 1.163 -0.930) 1.489 13.069 ( 0.000 1.163 0.930) 1.489 13.146 ( 0.000 1.706 -0.615) 1.814 13.146 ( 0.000 1.706 0.615) 1.814 18.450 ( 0.000 8.857 -8.078) 11.988 18.450 ( 0.000 8.857 8.078) 11.988 18.608 ( 0.000 1.385 -3.275) 3.555 18.608 ( 0.000 1.385 3.275) 3.555 19.494 ( 0.000 -0.511 -0.356) 0.623 19.494 ( 0.000 -0.511 0.356) 0.623 19.558 ( 0.000 -6.320 -3.993) 7.475 19.558 ( 0.000 -6.320 3.993) 7.475 22.813 ( 0.000 -0.165 -1.648) 1.656 22.813 ( 0.000 -0.165 1.648) 1.656 22.846 ( 0.000 -1.897 -0.681) 2.016 22.846 ( 0.000 -1.897 0.681) 2.016 24.748 ( 0.000 6.721 -0.047) 6.721 24.748 ( 0.000 6.721 0.047) 6.721 24.835 ( 0.000 0.592 -0.541) 0.802 24.835 ( 0.000 0.592 0.541) 0.802 104.740 ( 0.000 0.128 -0.100) 0.163 104.740 ( 0.000 0.128 0.100) 0.163 104.778 ( 0.000 -0.533 -0.176) 0.562 104.778 ( 0.000 -0.533 0.176) 0.562 106.466 ( 0.000 -0.788 -0.146) 0.801 106.466 ( 0.000 -0.788 0.146) 0.801 106.477 ( 0.000 -1.115 -0.086) 1.119 106.477 ( 0.000 -1.115 0.086) 1.119 ======================= Grid point 322 (104/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.302 6.332 -0.341) 6.348 2.223 ( -0.302 6.332 0.341) 6.348 2.352 ( -0.585 -5.765 -0.945) 5.871 2.352 ( -0.585 -5.765 0.945) 5.871 3.181 ( 1.837 6.680 -1.668) 7.126 3.181 ( 1.837 6.680 1.668) 7.126 3.315 ( -0.730 -3.026 -1.799) 3.595 3.315 ( -0.730 -3.026 1.799) 3.595 3.425 ( 0.070 1.668 -1.016) 1.954 3.425 ( 0.070 1.668 1.016) 1.954 3.508 ( -0.437 -4.237 -0.568) 4.297 3.508 ( -0.437 -4.237 0.568) 4.297 4.902 ( 0.571 4.184 -0.104) 4.224 4.902 ( 0.571 4.184 0.104) 4.224 4.926 ( -0.253 2.529 -0.729) 2.644 4.926 ( -0.253 2.529 0.729) 2.644 5.097 ( 0.442 -0.631 -0.595) 0.973 5.097 ( 0.442 -0.631 0.595) 0.973 5.169 ( -1.676 3.072 -0.370) 3.519 5.169 ( -1.676 3.072 0.370) 3.519 5.293 ( 1.764 1.498 -1.353) 2.680 5.293 ( 1.764 1.498 1.353) 2.681 5.412 ( -0.748 1.052 -1.325) 1.850 5.412 ( -0.748 1.052 1.325) 1.850 8.401 ( 1.018 3.665 -3.972) 5.500 8.401 ( 1.018 3.665 3.972) 5.500 8.472 ( -0.410 2.262 -5.649) 6.099 8.472 ( -0.410 2.262 5.649) 6.099 8.759 ( 0.718 -0.128 -4.204) 4.267 8.759 ( 0.718 -0.128 4.204) 4.267 8.917 ( -1.453 -7.540 -3.229) 8.330 8.917 ( -1.453 -7.540 3.229) 8.330 9.755 ( 0.942 3.653 -2.685) 4.630 9.755 ( 0.942 3.653 2.685) 4.630 9.837 ( -0.953 -0.386 -1.725) 2.008 9.837 ( -0.953 -0.386 1.725) 2.008 10.786 ( -0.167 6.769 -1.513) 6.938 10.786 ( -0.167 6.769 1.513) 6.938 10.913 ( -0.404 5.573 -1.821) 5.877 10.913 ( -0.404 5.573 1.821) 5.876 11.112 ( 0.469 -10.304 -1.895) 10.487 11.112 ( 0.469 -10.304 1.895) 10.487 11.222 ( 0.052 -10.695 -2.126) 10.904 11.222 ( 0.052 -10.695 2.126) 10.904 13.081 ( 1.083 1.308 -0.877) 1.911 13.081 ( 1.083 1.308 0.877) 1.911 13.135 ( -0.964 1.567 -0.655) 1.953 13.135 ( -0.964 1.567 0.655) 1.953 18.459 ( 0.787 9.511 -6.383) 11.481 18.459 ( 0.787 9.511 6.383) 11.481 18.598 ( -0.817 0.769 -3.150) 3.344 18.598 ( -0.817 0.769 3.151) 3.344 19.494 ( 0.031 -0.497 -0.283) 0.572 19.494 ( 0.031 -0.497 0.283) 0.572 19.559 ( 0.057 -6.323 -2.804) 6.917 19.559 ( 0.057 -6.323 2.804) 6.917 22.814 ( 0.075 0.041 -1.246) 1.249 22.814 ( 0.075 0.041 1.246) 1.249 22.845 ( -0.122 -2.085 -0.581) 2.168 22.845 ( -0.121 -2.085 0.581) 2.168 24.753 ( 0.396 6.713 -0.079) 6.725 24.753 ( 0.396 6.713 0.079) 6.725 24.830 ( -0.413 0.584 -0.411) 0.825 24.830 ( -0.413 0.584 0.411) 0.825 104.745 ( 0.459 0.138 -0.113) 0.492 104.745 ( 0.459 0.138 0.113) 0.492 104.773 ( -0.454 -0.546 -0.165) 0.729 104.773 ( -0.454 -0.546 0.165) 0.729 106.467 ( 0.078 -0.726 -0.116) 0.740 106.467 ( 0.078 -0.726 0.116) 0.740 106.477 ( -0.074 -1.178 -0.072) 1.183 106.477 ( -0.074 -1.178 0.072) 1.183 ======================= Grid point 324 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.35e-04 3.35e-04 3.35e-04 3.35e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 6.234 0.000) 6.234 2.220 ( 0.000 6.234 0.000) 6.234 2.345 ( 0.000 -5.823 0.000) 5.823 2.345 ( 0.000 -5.823 0.000) 5.823 3.208 ( -0.000 6.784 0.000) 6.784 3.208 ( 0.000 6.784 0.000) 6.784 3.302 ( -0.000 -1.561 -0.000) 1.561 3.302 ( 0.000 -1.561 -0.000) 1.561 3.427 ( 0.000 1.186 0.000) 1.186 3.427 ( 0.000 1.186 0.000) 1.186 3.502 ( -0.000 -5.271 0.000) 5.271 3.502 ( 0.000 -5.271 0.000) 5.271 4.914 ( -0.000 2.959 0.000) 2.959 4.914 ( 0.000 2.959 0.000) 2.959 4.918 ( -0.000 2.632 -0.000) 2.632 4.918 ( -0.000 2.632 0.000) 2.632 5.111 ( -0.000 2.159 0.000) 2.159 5.111 ( 0.000 2.159 0.000) 2.159 5.138 ( -0.000 0.562 0.000) 0.562 5.138 ( 0.000 0.562 0.000) 0.562 5.321 ( -0.000 4.742 0.000) 4.742 5.321 ( -0.000 4.742 0.000) 4.742 5.398 ( 0.000 -1.228 0.000) 1.228 5.398 ( 0.000 -1.228 0.000) 1.228 8.415 ( 0.000 5.625 -0.000) 5.625 8.415 ( 0.000 5.625 -0.000) 5.625 8.465 ( -0.000 0.112 0.000) 0.112 8.465 ( 0.000 0.112 0.000) 0.112 8.770 ( 0.000 1.775 -0.000) 1.775 8.770 ( 0.000 1.775 0.000) 1.775 8.896 ( -0.000 -9.308 0.000) 9.308 8.896 ( 0.000 -9.308 0.000) 9.308 9.770 ( 0.000 4.498 0.000) 4.498 9.770 ( 0.000 4.498 0.000) 4.498 9.822 ( -0.000 -1.181 -0.000) 1.181 9.822 ( 0.000 -1.181 0.000) 1.181 10.784 ( 0.000 6.687 -0.000) 6.687 10.784 ( 0.000 6.687 0.000) 6.687 10.908 ( 0.000 5.231 0.000) 5.231 10.908 ( 0.000 5.231 0.000) 5.231 11.117 ( 0.000 -10.198 0.000) 10.198 11.117 ( 0.000 -10.198 0.000) 10.198 11.223 ( 0.000 -10.493 -0.000) 10.493 11.223 ( 0.000 -10.493 -0.000) 10.493 13.104 ( -0.000 2.043 -0.000) 2.043 13.104 ( 0.000 2.043 -0.000) 2.043 13.114 ( -0.000 0.838 0.000) 0.838 13.114 ( 0.000 0.838 0.000) 0.838 18.470 ( 0.000 10.503 -0.000) 10.503 18.470 ( 0.000 10.503 0.000) 10.503 18.587 ( -0.000 -0.185 -0.000) 0.185 18.587 ( -0.000 -0.185 0.000) 0.185 19.495 ( 0.000 -0.482 0.000) 0.482 19.495 ( -0.000 -0.482 0.000) 0.482 19.560 ( 0.000 -6.326 -0.000) 6.326 19.560 ( 0.000 -6.326 0.000) 6.326 22.815 ( 0.000 0.289 0.000) 0.289 22.815 ( 0.000 0.289 0.000) 0.289 22.843 ( -0.000 -2.315 -0.000) 2.315 22.843 ( -0.000 -2.315 0.000) 2.315 24.759 ( 0.000 6.771 0.000) 6.771 24.759 ( 0.000 6.771 0.000) 6.771 24.824 ( 0.000 0.510 0.000) 0.510 24.824 ( -0.000 0.510 0.000) 0.510 104.753 ( 0.000 0.365 0.000) 0.365 104.753 ( -0.000 0.365 0.000) 0.365 104.765 ( 0.000 -0.775 0.000) 0.775 104.765 ( 0.000 -0.775 0.000) 0.775 106.468 ( 0.000 -0.615 0.000) 0.615 106.468 ( 0.000 -0.615 0.000) 0.615 106.475 ( -0.000 -1.291 0.000) 1.291 106.475 ( 0.000 -1.291 0.000) 1.291 =================== 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 3/29952 10.0 136.965 176.568 144.441 0.000 0.000 0.000 3/29952 20.0 61.041 109.470 76.052 0.000 0.000 0.000 3/29952 30.0 29.932 71.594 41.719 0.000 0.000 -0.000 3/29952 40.0 17.359 50.646 26.557 0.000 0.000 -0.000 3/29952 50.0 11.579 39.040 19.141 0.000 0.000 -0.000 3/29952 60.0 8.507 31.836 14.952 0.000 0.000 -0.000 3/29952 70.0 6.661 26.844 12.276 0.000 0.000 -0.000 3/29952 80.0 5.445 23.127 10.409 0.000 0.000 -0.000 3/29952 90.0 4.590 20.244 9.029 0.000 0.000 -0.000 3/29952 100.0 3.959 17.952 7.968 0.000 0.000 -0.000 3/29952 110.0 3.475 16.098 7.130 0.000 0.000 -0.000 3/29952 120.0 3.095 14.579 6.452 0.000 0.000 -0.000 3/29952 130.0 2.788 13.317 5.895 0.000 0.000 -0.000 3/29952 140.0 2.537 12.259 5.429 0.000 0.000 -0.000 3/29952 150.0 2.327 11.361 5.034 0.000 0.000 -0.000 3/29952 160.0 2.150 10.591 4.696 0.000 0.000 -0.000 3/29952 170.0 1.998 9.924 4.402 0.000 0.000 -0.000 3/29952 180.0 1.866 9.342 4.145 0.000 0.000 -0.000 3/29952 190.0 1.752 8.830 3.918 0.000 0.000 -0.000 3/29952 200.0 1.651 8.375 3.716 0.000 0.000 -0.000 3/29952 210.0 1.561 7.969 3.535 0.000 0.000 -0.000 3/29952 220.0 1.481 7.603 3.371 0.000 0.000 -0.000 3/29952 230.0 1.409 7.272 3.223 0.000 0.000 -0.000 3/29952 240.0 1.344 6.971 3.088 0.000 0.000 -0.000 3/29952 250.0 1.284 6.696 2.964 0.000 0.000 -0.000 3/29952 260.0 1.230 6.444 2.850 0.000 0.000 -0.000 3/29952 270.0 1.181 6.211 2.745 0.000 0.000 -0.000 3/29952 280.0 1.135 5.995 2.648 0.000 0.000 -0.000 3/29952 290.0 1.093 5.795 2.558 0.000 0.000 -0.000 3/29952 300.0 1.054 5.608 2.473 0.000 0.000 -0.000 3/29952 310.0 1.018 5.434 2.395 0.000 0.000 -0.000 3/29952 320.0 0.984 5.270 2.321 0.000 0.000 -0.000 3/29952 330.0 0.953 5.117 2.252 0.000 0.000 -0.000 3/29952 340.0 0.923 4.973 2.187 0.000 0.000 -0.000 3/29952 350.0 0.896 4.837 2.125 0.000 0.000 -0.000 3/29952 360.0 0.870 4.708 2.067 0.000 0.000 -0.000 3/29952 370.0 0.845 4.586 2.013 0.000 0.000 -0.000 3/29952 380.0 0.822 4.471 1.961 0.000 0.000 -0.000 3/29952 390.0 0.800 4.361 1.911 0.000 0.000 -0.000 3/29952 400.0 0.779 4.257 1.864 0.000 0.000 -0.000 3/29952 410.0 0.760 4.158 1.820 0.000 0.000 -0.000 3/29952 420.0 0.741 4.063 1.777 0.000 0.000 -0.000 3/29952 430.0 0.723 3.972 1.737 0.000 0.000 -0.000 3/29952 440.0 0.706 3.886 1.698 0.000 0.000 -0.000 3/29952 450.0 0.690 3.803 1.661 0.000 0.000 -0.000 3/29952 460.0 0.675 3.724 1.626 0.000 0.000 -0.000 3/29952 470.0 0.660 3.648 1.592 0.000 0.000 -0.000 3/29952 480.0 0.646 3.575 1.559 0.000 0.000 -0.000 3/29952 490.0 0.633 3.505 1.528 0.000 0.000 -0.000 3/29952 500.0 0.620 3.438 1.498 0.000 0.000 -0.000 3/29952 510.0 0.607 3.373 1.469 0.000 0.000 -0.000 3/29952 520.0 0.595 3.311 1.442 0.000 0.000 -0.000 3/29952 530.0 0.584 3.251 1.415 0.000 0.000 -0.000 3/29952 540.0 0.573 3.193 1.389 0.000 0.000 -0.000 3/29952 550.0 0.562 3.137 1.365 0.000 0.000 -0.000 3/29952 560.0 0.552 3.083 1.341 0.000 0.000 -0.000 3/29952 570.0 0.542 3.031 1.318 0.000 0.000 -0.000 3/29952 580.0 0.533 2.980 1.295 0.000 0.000 -0.000 3/29952 590.0 0.524 2.932 1.274 0.000 0.000 -0.000 3/29952 600.0 0.515 2.884 1.253 0.000 0.000 -0.000 3/29952 610.0 0.506 2.839 1.233 0.000 0.000 -0.000 3/29952 620.0 0.498 2.795 1.213 0.000 0.000 -0.000 3/29952 630.0 0.490 2.752 1.194 0.000 0.000 -0.000 3/29952 640.0 0.482 2.710 1.176 0.000 0.000 -0.000 3/29952 650.0 0.475 2.670 1.158 0.000 0.000 -0.000 3/29952 660.0 0.468 2.630 1.141 0.000 0.000 -0.000 3/29952 670.0 0.461 2.592 1.124 0.000 0.000 -0.000 3/29952 680.0 0.454 2.555 1.108 0.000 0.000 -0.000 3/29952 690.0 0.447 2.520 1.092 0.000 0.000 -0.000 3/29952 700.0 0.441 2.485 1.077 0.000 0.000 -0.000 3/29952 710.0 0.434 2.451 1.062 0.000 0.000 -0.000 3/29952 720.0 0.428 2.418 1.047 0.000 0.000 -0.000 3/29952 730.0 0.422 2.385 1.033 0.000 0.000 -0.000 3/29952 740.0 0.417 2.354 1.019 0.000 0.000 -0.000 3/29952 750.0 0.411 2.323 1.006 0.000 0.000 -0.000 3/29952 760.0 0.406 2.294 0.993 0.000 0.000 -0.000 3/29952 770.0 0.400 2.265 0.980 0.000 0.000 -0.000 3/29952 780.0 0.395 2.236 0.968 0.000 0.000 -0.000 3/29952 790.0 0.390 2.209 0.956 0.000 0.000 -0.000 3/29952 800.0 0.385 2.182 0.944 0.000 0.000 -0.000 3/29952 810.0 0.381 2.156 0.932 0.000 0.000 -0.000 3/29952 820.0 0.376 2.130 0.921 0.000 0.000 -0.000 3/29952 830.0 0.371 2.105 0.910 0.000 0.000 -0.000 3/29952 840.0 0.367 2.081 0.900 0.000 0.000 -0.000 3/29952 850.0 0.363 2.057 0.889 0.000 0.000 -0.000 3/29952 860.0 0.358 2.033 0.879 0.000 0.000 -0.000 3/29952 870.0 0.354 2.010 0.869 0.000 0.000 -0.000 3/29952 880.0 0.350 1.988 0.859 0.000 0.000 -0.000 3/29952 890.0 0.346 1.966 0.850 0.000 0.000 -0.000 3/29952 900.0 0.342 1.945 0.840 0.000 0.000 -0.000 3/29952 910.0 0.339 1.924 0.831 0.000 0.000 -0.000 3/29952 920.0 0.335 1.904 0.822 0.000 0.000 -0.000 3/29952 930.0 0.331 1.884 0.814 0.000 0.000 -0.000 3/29952 940.0 0.328 1.864 0.805 0.000 0.000 -0.000 3/29952 950.0 0.324 1.845 0.797 0.000 0.000 -0.000 3/29952 960.0 0.321 1.826 0.788 0.000 0.000 -0.000 3/29952 970.0 0.318 1.807 0.780 0.000 0.000 -0.000 3/29952 980.0 0.314 1.789 0.772 0.000 0.000 -0.000 3/29952 990.0 0.311 1.772 0.765 0.000 0.000 -0.000 3/29952 1000.0 0.308 1.754 0.757 0.000 0.000 -0.000 3/29952 Thermal conductivity related properties were written into "kappa-m4138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:09:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|