----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.162421840083090 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -3.485684125070626 0.000000000000000 7.638872329954530 Atomic positions (fractional): *1 O 0.12616586607642 0.34730593052108 0.01926347041395 15.999 2 O 0.87383413392358 0.84730593052108 0.48073652958605 15.999 3 O 0.87383413392358 0.65269406947892 0.98073652958605 15.999 4 O 0.12616586607642 0.15269406947892 0.51926347041395 15.999 *5 O 0.27699576113396 0.37660849573484 0.75631087613664 15.999 6 O 0.72300423886604 0.87660849573484 0.74368912386336 15.999 7 O 0.72300423886604 0.62339150426516 0.24368912386336 15.999 8 O 0.27699576113396 0.12339150426516 0.25631087613664 15.999 *9 O 0.05060090354052 0.59743438410391 0.57068611848487 15.999 10 O 0.94939909645948 0.09743438410391 0.92931388151513 15.999 11 O 0.94939909645948 0.40256561589609 0.42931388151513 15.999 12 O 0.05060090354052 0.90256561589609 0.07068611848487 15.999 *13 O 0.71216538143341 0.67260249442546 0.59609128667293 15.999 14 O 0.28783461856659 0.17260249442546 0.90390871332707 15.999 15 O 0.28783461856659 0.32739750557454 0.40390871332707 15.999 16 O 0.71216538143341 0.82739750557454 0.09609128667293 15.999 *17 O 0.88289849742603 0.04797055282792 0.23284563389282 15.999 18 O 0.11710150257397 0.54797055282792 0.26715436610718 15.999 19 O 0.11710150257397 0.95202944717208 0.76715436610718 15.999 20 O 0.88289849742603 0.45202944717208 0.73284563389282 15.999 *21 Te 0.06235879740145 0.29625410223517 0.78806862003046 127.600 22 Te 0.93764120259855 0.79625410223517 0.71193137996954 127.600 23 Te 0.93764120259855 0.70374589776483 0.21193137996954 127.600 24 Te 0.06235879740145 0.20374589776483 0.28806862003046 127.600 *25 Te 0.78308398209872 0.52826650611099 0.50346176846219 127.600 26 Te 0.21691601790128 0.02826650611099 0.99653823153781 127.600 27 Te 0.21691601790128 0.47173349388901 0.49653823153781 127.600 28 Te 0.78308398209872 0.97173349388901 0.00346176846219 127.600 *29 Tl 0.78300180140055 0.44090858945876 0.01670722933590 204.383 30 Tl 0.21699819859945 0.94090858945876 0.48329277066410 204.383 31 Tl 0.21699819859945 0.55909141054124 0.98329277066410 204.383 32 Tl 0.78300180140055 0.05909141054124 0.51670722933590 204.383 *33 Tl 0.48978989413367 0.28887429104360 0.21483096311211 204.383 34 Tl 0.51021010586633 0.78887429104359 0.28516903688789 204.383 35 Tl 0.51021010586633 0.71112570895641 0.78516903688789 204.383 36 Tl 0.48978989413367 0.21112570895641 0.71483096311211 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.162421840083090 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -3.485684125070626 0.000000000000000 7.638872329954530 Atomic positions (fractional): *1 O 0.12616586607642 0.34730593052108 0.01926347041395 15.999 > 1 2 O 0.87383413392358 0.84730593052108 0.48073652958605 15.999 > 2 3 O 0.87383413392358 0.65269406947892 0.98073652958605 15.999 > 3 4 O 0.12616586607642 0.15269406947892 0.51926347041395 15.999 > 4 *5 O 0.27699576113396 0.37660849573484 0.75631087613664 15.999 > 5 6 O 0.72300423886604 0.87660849573484 0.74368912386336 15.999 > 6 7 O 0.72300423886604 0.62339150426516 0.24368912386336 15.999 > 7 8 O 0.27699576113396 0.12339150426516 0.25631087613664 15.999 > 8 *9 O 0.05060090354052 0.59743438410391 0.57068611848487 15.999 > 9 10 O 0.94939909645948 0.09743438410391 0.92931388151513 15.999 > 10 11 O 0.94939909645948 0.40256561589609 0.42931388151513 15.999 > 11 12 O 0.05060090354052 0.90256561589609 0.07068611848487 15.999 > 12 *13 O 0.71216538143341 0.67260249442546 0.59609128667293 15.999 > 13 14 O 0.28783461856659 0.17260249442546 0.90390871332707 15.999 > 14 15 O 0.28783461856659 0.32739750557454 0.40390871332707 15.999 > 15 16 O 0.71216538143341 0.82739750557454 0.09609128667293 15.999 > 16 *17 O 0.88289849742603 0.04797055282792 0.23284563389282 15.999 > 17 18 O 0.11710150257397 0.54797055282792 0.26715436610718 15.999 > 18 19 O 0.11710150257397 0.95202944717208 0.76715436610718 15.999 > 19 20 O 0.88289849742603 0.45202944717208 0.73284563389282 15.999 > 20 *21 Te 0.06235879740145 0.29625410223517 0.78806862003046 127.600 > 21 22 Te 0.93764120259855 0.79625410223517 0.71193137996954 127.600 > 22 23 Te 0.93764120259855 0.70374589776483 0.21193137996954 127.600 > 23 24 Te 0.06235879740145 0.20374589776483 0.28806862003046 127.600 > 24 *25 Te 0.78308398209872 0.52826650611099 0.50346176846219 127.600 > 25 26 Te 0.21691601790128 0.02826650611099 0.99653823153781 127.600 > 26 27 Te 0.21691601790128 0.47173349388901 0.49653823153781 127.600 > 27 28 Te 0.78308398209872 0.97173349388901 0.00346176846219 127.600 > 28 *29 Tl 0.78300180140055 0.44090858945876 0.01670722933590 204.383 > 29 30 Tl 0.21699819859945 0.94090858945876 0.48329277066410 204.383 > 30 31 Tl 0.21699819859945 0.55909141054124 0.98329277066410 204.383 > 31 32 Tl 0.78300180140055 0.05909141054124 0.51670722933590 204.383 > 32 *33 Tl 0.48978989413367 0.28887429104360 0.21483096311211 204.383 > 33 34 Tl 0.51021010586633 0.78887429104359 0.28516903688789 204.383 > 34 35 Tl 0.51021010586633 0.71112570895641 0.78516903688789 204.383 > 35 36 Tl 0.48978989413367 0.21112570895641 0.71483096311211 204.383 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.324843680166181 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -6.971368250141252 0.000000000000000 15.277744659909059 Atomic positions (fractional): *1 O 0.06308293303821 0.34730593052108 0.00963173520698 15.999 > 1 2 O 0.56308293303821 0.34730593052108 0.00963173520698 15.999 > 1 3 O 0.06308293303821 0.34730593052108 0.50963173520698 15.999 > 1 4 O 0.56308293303821 0.34730593052108 0.50963173520698 15.999 > 1 5 O 0.43691706696179 0.84730593052108 0.24036826479302 15.999 > 2 6 O 0.93691706696179 0.84730593052108 0.24036826479302 15.999 > 2 7 O 0.43691706696179 0.84730593052108 0.74036826479302 15.999 > 2 8 O 0.93691706696179 0.84730593052108 0.74036826479302 15.999 > 2 9 O 0.43691706696179 0.65269406947892 0.49036826479302 15.999 > 3 10 O 0.93691706696179 0.65269406947892 0.49036826479302 15.999 > 3 11 O 0.43691706696179 0.65269406947892 0.99036826479302 15.999 > 3 12 O 0.93691706696179 0.65269406947892 0.99036826479302 15.999 > 3 13 O 0.06308293303821 0.15269406947892 0.25963173520698 15.999 > 4 14 O 0.56308293303821 0.15269406947892 0.25963173520698 15.999 > 4 15 O 0.06308293303821 0.15269406947892 0.75963173520698 15.999 > 4 16 O 0.56308293303821 0.15269406947892 0.75963173520698 15.999 > 4 *17 O 0.13849788056698 0.37660849573484 0.37815543806832 15.999 > 5 18 O 0.63849788056698 0.37660849573484 0.37815543806832 15.999 > 5 19 O 0.13849788056698 0.37660849573484 0.87815543806832 15.999 > 5 20 O 0.63849788056698 0.37660849573484 0.87815543806832 15.999 > 5 21 O 0.36150211943302 0.87660849573484 0.37184456193168 15.999 > 6 22 O 0.86150211943302 0.87660849573484 0.37184456193168 15.999 > 6 23 O 0.36150211943302 0.87660849573484 0.87184456193168 15.999 > 6 24 O 0.86150211943302 0.87660849573484 0.87184456193168 15.999 > 6 25 O 0.36150211943302 0.62339150426516 0.12184456193168 15.999 > 7 26 O 0.86150211943302 0.62339150426516 0.12184456193168 15.999 > 7 27 O 0.36150211943302 0.62339150426516 0.62184456193168 15.999 > 7 28 O 0.86150211943302 0.62339150426516 0.62184456193168 15.999 > 7 29 O 0.13849788056698 0.12339150426516 0.12815543806832 15.999 > 8 30 O 0.63849788056698 0.12339150426516 0.12815543806832 15.999 > 8 31 O 0.13849788056698 0.12339150426516 0.62815543806832 15.999 > 8 32 O 0.63849788056698 0.12339150426516 0.62815543806832 15.999 > 8 *33 O 0.02530045177026 0.59743438410391 0.28534305924244 15.999 > 9 34 O 0.52530045177026 0.59743438410391 0.28534305924244 15.999 > 9 35 O 0.02530045177026 0.59743438410391 0.78534305924244 15.999 > 9 36 O 0.52530045177026 0.59743438410391 0.78534305924244 15.999 > 9 37 O 0.47469954822974 0.09743438410391 0.46465694075756 15.999 > 10 38 O 0.97469954822974 0.09743438410391 0.46465694075756 15.999 > 10 39 O 0.47469954822974 0.09743438410391 0.96465694075756 15.999 > 10 40 O 0.97469954822974 0.09743438410391 0.96465694075756 15.999 > 10 41 O 0.47469954822974 0.40256561589609 0.21465694075756 15.999 > 11 42 O 0.97469954822974 0.40256561589609 0.21465694075756 15.999 > 11 43 O 0.47469954822974 0.40256561589609 0.71465694075756 15.999 > 11 44 O 0.97469954822974 0.40256561589609 0.71465694075756 15.999 > 11 45 O 0.02530045177026 0.90256561589609 0.03534305924244 15.999 > 12 46 O 0.52530045177026 0.90256561589609 0.03534305924244 15.999 > 12 47 O 0.02530045177026 0.90256561589609 0.53534305924244 15.999 > 12 48 O 0.52530045177026 0.90256561589609 0.53534305924244 15.999 > 12 *49 O 0.35608269071671 0.67260249442546 0.29804564333647 15.999 > 13 50 O 0.85608269071671 0.67260249442546 0.29804564333647 15.999 > 13 51 O 0.35608269071671 0.67260249442546 0.79804564333647 15.999 > 13 52 O 0.85608269071671 0.67260249442546 0.79804564333647 15.999 > 13 53 O 0.14391730928329 0.17260249442546 0.45195435666353 15.999 > 14 54 O 0.64391730928329 0.17260249442546 0.45195435666353 15.999 > 14 55 O 0.14391730928329 0.17260249442546 0.95195435666353 15.999 > 14 56 O 0.64391730928329 0.17260249442546 0.95195435666353 15.999 > 14 57 O 0.14391730928329 0.32739750557454 0.20195435666353 15.999 > 15 58 O 0.64391730928329 0.32739750557454 0.20195435666353 15.999 > 15 59 O 0.14391730928329 0.32739750557454 0.70195435666353 15.999 > 15 60 O 0.64391730928329 0.32739750557454 0.70195435666353 15.999 > 15 61 O 0.35608269071671 0.82739750557454 0.04804564333647 15.999 > 16 62 O 0.85608269071671 0.82739750557454 0.04804564333647 15.999 > 16 63 O 0.35608269071671 0.82739750557454 0.54804564333647 15.999 > 16 64 O 0.85608269071671 0.82739750557454 0.54804564333647 15.999 > 16 *65 O 0.44144924871302 0.04797055282792 0.11642281694641 15.999 > 17 66 O 0.94144924871302 0.04797055282792 0.11642281694641 15.999 > 17 67 O 0.44144924871302 0.04797055282792 0.61642281694641 15.999 > 17 68 O 0.94144924871302 0.04797055282792 0.61642281694641 15.999 > 17 69 O 0.05855075128698 0.54797055282792 0.13357718305359 15.999 > 18 70 O 0.55855075128698 0.54797055282792 0.13357718305359 15.999 > 18 71 O 0.05855075128698 0.54797055282792 0.63357718305359 15.999 > 18 72 O 0.55855075128698 0.54797055282792 0.63357718305359 15.999 > 18 73 O 0.05855075128698 0.95202944717208 0.38357718305359 15.999 > 19 74 O 0.55855075128698 0.95202944717208 0.38357718305359 15.999 > 19 75 O 0.05855075128698 0.95202944717208 0.88357718305359 15.999 > 19 76 O 0.55855075128698 0.95202944717208 0.88357718305359 15.999 > 19 77 O 0.44144924871302 0.45202944717208 0.36642281694641 15.999 > 20 78 O 0.94144924871302 0.45202944717208 0.36642281694641 15.999 > 20 79 O 0.44144924871302 0.45202944717208 0.86642281694641 15.999 > 20 80 O 0.94144924871302 0.45202944717208 0.86642281694641 15.999 > 20 *81 Te 0.03117939870073 0.29625410223517 0.39403431001523 127.600 > 21 82 Te 0.53117939870073 0.29625410223517 0.39403431001523 127.600 > 21 83 Te 0.03117939870073 0.29625410223517 0.89403431001523 127.600 > 21 84 Te 0.53117939870073 0.29625410223517 0.89403431001523 127.600 > 21 85 Te 0.46882060129927 0.79625410223517 0.35596568998477 127.600 > 22 86 Te 0.96882060129927 0.79625410223517 0.35596568998477 127.600 > 22 87 Te 0.46882060129927 0.79625410223517 0.85596568998477 127.600 > 22 88 Te 0.96882060129927 0.79625410223517 0.85596568998477 127.600 > 22 89 Te 0.46882060129927 0.70374589776483 0.10596568998477 127.600 > 23 90 Te 0.96882060129927 0.70374589776483 0.10596568998477 127.600 > 23 91 Te 0.46882060129927 0.70374589776483 0.60596568998477 127.600 > 23 92 Te 0.96882060129927 0.70374589776483 0.60596568998477 127.600 > 23 93 Te 0.03117939870073 0.20374589776483 0.14403431001523 127.600 > 24 94 Te 0.53117939870073 0.20374589776483 0.14403431001523 127.600 > 24 95 Te 0.03117939870073 0.20374589776483 0.64403431001523 127.600 > 24 96 Te 0.53117939870073 0.20374589776483 0.64403431001523 127.600 > 24 *97 Te 0.39154199104936 0.52826650611099 0.25173088423109 127.600 > 25 98 Te 0.89154199104936 0.52826650611099 0.25173088423109 127.600 > 25 99 Te 0.39154199104936 0.52826650611099 0.75173088423109 127.600 > 25 100 Te 0.89154199104936 0.52826650611099 0.75173088423109 127.600 > 25 101 Te 0.10845800895064 0.02826650611099 0.49826911576891 127.600 > 26 102 Te 0.60845800895064 0.02826650611099 0.49826911576891 127.600 > 26 103 Te 0.10845800895064 0.02826650611099 0.99826911576891 127.600 > 26 104 Te 0.60845800895064 0.02826650611099 0.99826911576891 127.600 > 26 105 Te 0.10845800895064 0.47173349388901 0.24826911576891 127.600 > 27 106 Te 0.60845800895064 0.47173349388901 0.24826911576891 127.600 > 27 107 Te 0.10845800895064 0.47173349388901 0.74826911576891 127.600 > 27 108 Te 0.60845800895064 0.47173349388901 0.74826911576891 127.600 > 27 109 Te 0.39154199104936 0.97173349388901 0.00173088423109 127.600 > 28 110 Te 0.89154199104936 0.97173349388901 0.00173088423109 127.600 > 28 111 Te 0.39154199104936 0.97173349388901 0.50173088423109 127.600 > 28 112 Te 0.89154199104936 0.97173349388901 0.50173088423109 127.600 > 28 *113 Tl 0.39150090070028 0.44090858945876 0.00835361466795 204.383 > 29 114 Tl 0.89150090070028 0.44090858945876 0.00835361466795 204.383 > 29 115 Tl 0.39150090070028 0.44090858945876 0.50835361466795 204.383 > 29 116 Tl 0.89150090070028 0.44090858945876 0.50835361466795 204.383 > 29 117 Tl 0.10849909929972 0.94090858945876 0.24164638533205 204.383 > 30 118 Tl 0.60849909929972 0.94090858945876 0.24164638533205 204.383 > 30 119 Tl 0.10849909929972 0.94090858945876 0.74164638533205 204.383 > 30 120 Tl 0.60849909929972 0.94090858945876 0.74164638533205 204.383 > 30 121 Tl 0.10849909929972 0.55909141054124 0.49164638533205 204.383 > 31 122 Tl 0.60849909929972 0.55909141054124 0.49164638533205 204.383 > 31 123 Tl 0.10849909929972 0.55909141054124 0.99164638533205 204.383 > 31 124 Tl 0.60849909929972 0.55909141054124 0.99164638533205 204.383 > 31 125 Tl 0.39150090070028 0.05909141054124 0.25835361466795 204.383 > 32 126 Tl 0.89150090070028 0.05909141054124 0.25835361466795 204.383 > 32 127 Tl 0.39150090070028 0.05909141054124 0.75835361466795 204.383 > 32 128 Tl 0.89150090070028 0.05909141054124 0.75835361466795 204.383 > 32 *129 Tl 0.24489494706684 0.28887429104360 0.10741548155605 204.383 > 33 130 Tl 0.74489494706684 0.28887429104360 0.10741548155605 204.383 > 33 131 Tl 0.24489494706684 0.28887429104360 0.60741548155605 204.383 > 33 132 Tl 0.74489494706684 0.28887429104360 0.60741548155605 204.383 > 33 133 Tl 0.25510505293316 0.78887429104359 0.14258451844395 204.383 > 34 134 Tl 0.75510505293316 0.78887429104359 0.14258451844395 204.383 > 34 135 Tl 0.25510505293316 0.78887429104359 0.64258451844395 204.383 > 34 136 Tl 0.75510505293316 0.78887429104359 0.64258451844395 204.383 > 34 137 Tl 0.25510505293316 0.71112570895641 0.39258451844395 204.383 > 35 138 Tl 0.75510505293316 0.71112570895641 0.39258451844395 204.383 > 35 139 Tl 0.25510505293316 0.71112570895641 0.89258451844395 204.383 > 35 140 Tl 0.75510505293316 0.71112570895641 0.89258451844395 204.383 > 35 141 Tl 0.24489494706684 0.21112570895641 0.35741548155605 204.383 > 36 142 Tl 0.74489494706684 0.21112570895641 0.35741548155605 204.383 > 36 143 Tl 0.24489494706684 0.21112570895641 0.85741548155605 204.383 > 36 144 Tl 0.74489494706684 0.21112570895641 0.85741548155605 204.383 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4232907 0.0000000 -0.3111251 0.0000000 6.1390176 0.0000000 -0.3111258 0.0000000 5.5994184 -------------------------- Born effective charges -------------------------- 1 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 2 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 3 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 4 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 5 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 6 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 7 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 8 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 9 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 10 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 11 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 12 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 13 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 14 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 15 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 16 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 17 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 18 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 19 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 20 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 21 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 22 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 23 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 24 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 25 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 26 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 27 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 28 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 29 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 30 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 31 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 32 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 33 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 34 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 35 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 36 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.018 Solver_block: 100 / 1120 - Time: 4.682 Solver_block: 200 / 1120 - Time: 2.742 Solver_block: 300 / 1120 - Time: 3.294 Solver_block: 400 / 1120 - Time: 4.497 Solver_block: 500 / 1120 - Time: 3.726 Solver_block: 600 / 1120 - Time: 3.496 Solver_block: 700 / 1120 - Time: 3.932 Solver_block: 800 / 1120 - Time: 3.351 Solver_block: 900 / 1120 - Time: 3.534 Solver_block: 1000 / 1120 - Time: 3.629 Solver_block: 1100 / 1120 - Time: 2.895 Solver_block: 1120 / 1120 - Time: 0.620 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 41.630 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 2026-01-08 08:20:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:20:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.162421840083090 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -3.485684125070626 0.000000000000000 7.638872329954530 Atomic positions (fractional): 1 O 0.12616586607642 0.34730593052108 0.01926347041395 15.999 2 O 0.87383413392358 0.84730593052108 0.48073652958605 15.999 3 O 0.87383413392358 0.65269406947892 0.98073652958605 15.999 4 O 0.12616586607642 0.15269406947892 0.51926347041395 15.999 5 O 0.27699576113396 0.37660849573484 0.75631087613664 15.999 6 O 0.72300423886604 0.87660849573484 0.74368912386336 15.999 7 O 0.72300423886604 0.62339150426516 0.24368912386336 15.999 8 O 0.27699576113396 0.12339150426516 0.25631087613664 15.999 9 O 0.05060090354052 0.59743438410391 0.57068611848487 15.999 10 O 0.94939909645948 0.09743438410391 0.92931388151513 15.999 11 O 0.94939909645948 0.40256561589609 0.42931388151513 15.999 12 O 0.05060090354052 0.90256561589609 0.07068611848487 15.999 13 O 0.71216538143341 0.67260249442546 0.59609128667293 15.999 14 O 0.28783461856659 0.17260249442546 0.90390871332707 15.999 15 O 0.28783461856659 0.32739750557454 0.40390871332707 15.999 16 O 0.71216538143341 0.82739750557454 0.09609128667293 15.999 17 O 0.88289849742603 0.04797055282792 0.23284563389282 15.999 18 O 0.11710150257397 0.54797055282792 0.26715436610718 15.999 19 O 0.11710150257397 0.95202944717208 0.76715436610718 15.999 20 O 0.88289849742603 0.45202944717208 0.73284563389282 15.999 21 Te 0.06235879740145 0.29625410223517 0.78806862003046 127.600 22 Te 0.93764120259855 0.79625410223517 0.71193137996954 127.600 23 Te 0.93764120259855 0.70374589776483 0.21193137996954 127.600 24 Te 0.06235879740145 0.20374589776483 0.28806862003046 127.600 25 Te 0.78308398209872 0.52826650611099 0.50346176846219 127.600 26 Te 0.21691601790128 0.02826650611099 0.99653823153781 127.600 27 Te 0.21691601790128 0.47173349388901 0.49653823153781 127.600 28 Te 0.78308398209872 0.97173349388901 0.00346176846219 127.600 29 Tl 0.78300180140055 0.44090858945876 0.01670722933590 204.383 30 Tl 0.21699819859945 0.94090858945876 0.48329277066410 204.383 31 Tl 0.21699819859945 0.55909141054124 0.98329277066410 204.383 32 Tl 0.78300180140055 0.05909141054124 0.51670722933590 204.383 33 Tl 0.48978989413367 0.28887429104360 0.21483096311211 204.383 34 Tl 0.51021010586633 0.78887429104359 0.28516903688789 204.383 35 Tl 0.51021010586633 0.71112570895641 0.78516903688789 204.383 36 Tl 0.48978989413367 0.21112570895641 0.71483096311211 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.324843680166181 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -6.971368250141252 0.000000000000000 15.277744659909059 Atomic positions (fractional): 1 O 0.06308293303821 0.34730593052108 0.00963173520698 15.999 > 1 2 O 0.56308293303821 0.34730593052108 0.00963173520698 15.999 > 1 3 O 0.06308293303821 0.34730593052108 0.50963173520698 15.999 > 1 4 O 0.56308293303821 0.34730593052108 0.50963173520698 15.999 > 1 5 O 0.43691706696179 0.84730593052108 0.24036826479302 15.999 > 5 6 O 0.93691706696179 0.84730593052108 0.24036826479302 15.999 > 5 7 O 0.43691706696179 0.84730593052108 0.74036826479302 15.999 > 5 8 O 0.93691706696179 0.84730593052108 0.74036826479302 15.999 > 5 9 O 0.43691706696179 0.65269406947892 0.49036826479302 15.999 > 9 10 O 0.93691706696179 0.65269406947892 0.49036826479302 15.999 > 9 11 O 0.43691706696179 0.65269406947892 0.99036826479302 15.999 > 9 12 O 0.93691706696179 0.65269406947892 0.99036826479302 15.999 > 9 13 O 0.06308293303821 0.15269406947892 0.25963173520698 15.999 > 13 14 O 0.56308293303821 0.15269406947892 0.25963173520698 15.999 > 13 15 O 0.06308293303821 0.15269406947892 0.75963173520698 15.999 > 13 16 O 0.56308293303821 0.15269406947892 0.75963173520698 15.999 > 13 17 O 0.13849788056698 0.37660849573484 0.37815543806832 15.999 > 17 18 O 0.63849788056698 0.37660849573484 0.37815543806832 15.999 > 17 19 O 0.13849788056698 0.37660849573484 0.87815543806832 15.999 > 17 20 O 0.63849788056698 0.37660849573484 0.87815543806832 15.999 > 17 21 O 0.36150211943302 0.87660849573484 0.37184456193168 15.999 > 21 22 O 0.86150211943302 0.87660849573484 0.37184456193168 15.999 > 21 23 O 0.36150211943302 0.87660849573484 0.87184456193168 15.999 > 21 24 O 0.86150211943302 0.87660849573484 0.87184456193168 15.999 > 21 25 O 0.36150211943302 0.62339150426516 0.12184456193168 15.999 > 25 26 O 0.86150211943302 0.62339150426516 0.12184456193168 15.999 > 25 27 O 0.36150211943302 0.62339150426516 0.62184456193168 15.999 > 25 28 O 0.86150211943302 0.62339150426516 0.62184456193168 15.999 > 25 29 O 0.13849788056698 0.12339150426516 0.12815543806832 15.999 > 29 30 O 0.63849788056698 0.12339150426516 0.12815543806832 15.999 > 29 31 O 0.13849788056698 0.12339150426516 0.62815543806832 15.999 > 29 32 O 0.63849788056698 0.12339150426516 0.62815543806832 15.999 > 29 33 O 0.02530045177026 0.59743438410391 0.28534305924244 15.999 > 33 34 O 0.52530045177026 0.59743438410391 0.28534305924244 15.999 > 33 35 O 0.02530045177026 0.59743438410391 0.78534305924244 15.999 > 33 36 O 0.52530045177026 0.59743438410391 0.78534305924244 15.999 > 33 37 O 0.47469954822974 0.09743438410391 0.46465694075756 15.999 > 37 38 O 0.97469954822974 0.09743438410391 0.46465694075756 15.999 > 37 39 O 0.47469954822974 0.09743438410391 0.96465694075756 15.999 > 37 40 O 0.97469954822974 0.09743438410391 0.96465694075756 15.999 > 37 41 O 0.47469954822974 0.40256561589609 0.21465694075756 15.999 > 41 42 O 0.97469954822974 0.40256561589609 0.21465694075756 15.999 > 41 43 O 0.47469954822974 0.40256561589609 0.71465694075756 15.999 > 41 44 O 0.97469954822974 0.40256561589609 0.71465694075756 15.999 > 41 45 O 0.02530045177026 0.90256561589609 0.03534305924244 15.999 > 45 46 O 0.52530045177026 0.90256561589609 0.03534305924244 15.999 > 45 47 O 0.02530045177026 0.90256561589609 0.53534305924244 15.999 > 45 48 O 0.52530045177026 0.90256561589609 0.53534305924244 15.999 > 45 49 O 0.35608269071671 0.67260249442546 0.29804564333647 15.999 > 49 50 O 0.85608269071671 0.67260249442546 0.29804564333647 15.999 > 49 51 O 0.35608269071671 0.67260249442546 0.79804564333647 15.999 > 49 52 O 0.85608269071671 0.67260249442546 0.79804564333647 15.999 > 49 53 O 0.14391730928329 0.17260249442546 0.45195435666353 15.999 > 53 54 O 0.64391730928329 0.17260249442546 0.45195435666353 15.999 > 53 55 O 0.14391730928329 0.17260249442546 0.95195435666353 15.999 > 53 56 O 0.64391730928329 0.17260249442546 0.95195435666353 15.999 > 53 57 O 0.14391730928329 0.32739750557454 0.20195435666353 15.999 > 57 58 O 0.64391730928329 0.32739750557454 0.20195435666353 15.999 > 57 59 O 0.14391730928329 0.32739750557454 0.70195435666353 15.999 > 57 60 O 0.64391730928329 0.32739750557454 0.70195435666353 15.999 > 57 61 O 0.35608269071671 0.82739750557454 0.04804564333647 15.999 > 61 62 O 0.85608269071671 0.82739750557454 0.04804564333647 15.999 > 61 63 O 0.35608269071671 0.82739750557454 0.54804564333647 15.999 > 61 64 O 0.85608269071671 0.82739750557454 0.54804564333647 15.999 > 61 65 O 0.44144924871302 0.04797055282792 0.11642281694641 15.999 > 65 66 O 0.94144924871302 0.04797055282792 0.11642281694641 15.999 > 65 67 O 0.44144924871302 0.04797055282792 0.61642281694641 15.999 > 65 68 O 0.94144924871302 0.04797055282792 0.61642281694641 15.999 > 65 69 O 0.05855075128698 0.54797055282792 0.13357718305359 15.999 > 69 70 O 0.55855075128698 0.54797055282792 0.13357718305359 15.999 > 69 71 O 0.05855075128698 0.54797055282792 0.63357718305359 15.999 > 69 72 O 0.55855075128698 0.54797055282792 0.63357718305359 15.999 > 69 73 O 0.05855075128698 0.95202944717208 0.38357718305359 15.999 > 73 74 O 0.55855075128698 0.95202944717208 0.38357718305359 15.999 > 73 75 O 0.05855075128698 0.95202944717208 0.88357718305359 15.999 > 73 76 O 0.55855075128698 0.95202944717208 0.88357718305359 15.999 > 73 77 O 0.44144924871302 0.45202944717208 0.36642281694641 15.999 > 77 78 O 0.94144924871302 0.45202944717208 0.36642281694641 15.999 > 77 79 O 0.44144924871302 0.45202944717208 0.86642281694641 15.999 > 77 80 O 0.94144924871302 0.45202944717208 0.86642281694641 15.999 > 77 81 Te 0.03117939870073 0.29625410223517 0.39403431001523 127.600 > 81 82 Te 0.53117939870073 0.29625410223517 0.39403431001523 127.600 > 81 83 Te 0.03117939870073 0.29625410223517 0.89403431001523 127.600 > 81 84 Te 0.53117939870073 0.29625410223517 0.89403431001523 127.600 > 81 85 Te 0.46882060129927 0.79625410223517 0.35596568998477 127.600 > 85 86 Te 0.96882060129927 0.79625410223517 0.35596568998477 127.600 > 85 87 Te 0.46882060129927 0.79625410223517 0.85596568998477 127.600 > 85 88 Te 0.96882060129927 0.79625410223517 0.85596568998477 127.600 > 85 89 Te 0.46882060129927 0.70374589776483 0.10596568998477 127.600 > 89 90 Te 0.96882060129927 0.70374589776483 0.10596568998477 127.600 > 89 91 Te 0.46882060129927 0.70374589776483 0.60596568998477 127.600 > 89 92 Te 0.96882060129927 0.70374589776483 0.60596568998477 127.600 > 89 93 Te 0.03117939870073 0.20374589776483 0.14403431001523 127.600 > 93 94 Te 0.53117939870073 0.20374589776483 0.14403431001523 127.600 > 93 95 Te 0.03117939870073 0.20374589776483 0.64403431001523 127.600 > 93 96 Te 0.53117939870073 0.20374589776483 0.64403431001523 127.600 > 93 97 Te 0.39154199104936 0.52826650611099 0.25173088423109 127.600 > 97 98 Te 0.89154199104936 0.52826650611099 0.25173088423109 127.600 > 97 99 Te 0.39154199104936 0.52826650611099 0.75173088423109 127.600 > 97 100 Te 0.89154199104936 0.52826650611099 0.75173088423109 127.600 > 97 101 Te 0.10845800895064 0.02826650611099 0.49826911576891 127.600 > 101 102 Te 0.60845800895064 0.02826650611099 0.49826911576891 127.600 > 101 103 Te 0.10845800895064 0.02826650611099 0.99826911576891 127.600 > 101 104 Te 0.60845800895064 0.02826650611099 0.99826911576891 127.600 > 101 105 Te 0.10845800895064 0.47173349388901 0.24826911576891 127.600 > 105 106 Te 0.60845800895064 0.47173349388901 0.24826911576891 127.600 > 105 107 Te 0.10845800895064 0.47173349388901 0.74826911576891 127.600 > 105 108 Te 0.60845800895064 0.47173349388901 0.74826911576891 127.600 > 105 109 Te 0.39154199104936 0.97173349388901 0.00173088423109 127.600 > 109 110 Te 0.89154199104936 0.97173349388901 0.00173088423109 127.600 > 109 111 Te 0.39154199104936 0.97173349388901 0.50173088423109 127.600 > 109 112 Te 0.89154199104936 0.97173349388901 0.50173088423109 127.600 > 109 113 Tl 0.39150090070028 0.44090858945876 0.00835361466795 204.383 > 113 114 Tl 0.89150090070028 0.44090858945876 0.00835361466795 204.383 > 113 115 Tl 0.39150090070028 0.44090858945876 0.50835361466795 204.383 > 113 116 Tl 0.89150090070028 0.44090858945876 0.50835361466795 204.383 > 113 117 Tl 0.10849909929972 0.94090858945876 0.24164638533205 204.383 > 117 118 Tl 0.60849909929972 0.94090858945876 0.24164638533205 204.383 > 117 119 Tl 0.10849909929972 0.94090858945876 0.74164638533205 204.383 > 117 120 Tl 0.60849909929972 0.94090858945876 0.74164638533205 204.383 > 117 121 Tl 0.10849909929972 0.55909141054124 0.49164638533205 204.383 > 121 122 Tl 0.60849909929972 0.55909141054124 0.49164638533205 204.383 > 121 123 Tl 0.10849909929972 0.55909141054124 0.99164638533205 204.383 > 121 124 Tl 0.60849909929972 0.55909141054124 0.99164638533205 204.383 > 121 125 Tl 0.39150090070028 0.05909141054124 0.25835361466795 204.383 > 125 126 Tl 0.89150090070028 0.05909141054124 0.25835361466795 204.383 > 125 127 Tl 0.39150090070028 0.05909141054124 0.75835361466795 204.383 > 125 128 Tl 0.89150090070028 0.05909141054124 0.75835361466795 204.383 > 125 129 Tl 0.24489494706684 0.28887429104360 0.10741548155605 204.383 > 129 130 Tl 0.74489494706684 0.28887429104360 0.10741548155605 204.383 > 129 131 Tl 0.24489494706684 0.28887429104360 0.60741548155605 204.383 > 129 132 Tl 0.74489494706684 0.28887429104360 0.60741548155605 204.383 > 129 133 Tl 0.25510505293316 0.78887429104359 0.14258451844395 204.383 > 133 134 Tl 0.75510505293316 0.78887429104359 0.14258451844395 204.383 > 133 135 Tl 0.25510505293316 0.78887429104359 0.64258451844395 204.383 > 133 136 Tl 0.75510505293316 0.78887429104359 0.64258451844395 204.383 > 133 137 Tl 0.25510505293316 0.71112570895641 0.39258451844395 204.383 > 137 138 Tl 0.75510505293316 0.71112570895641 0.39258451844395 204.383 > 137 139 Tl 0.25510505293316 0.71112570895641 0.89258451844395 204.383 > 137 140 Tl 0.75510505293316 0.71112570895641 0.89258451844395 204.383 > 137 141 Tl 0.24489494706684 0.21112570895641 0.35741548155605 204.383 > 141 142 Tl 0.74489494706684 0.21112570895641 0.35741548155605 204.383 > 141 143 Tl 0.24489494706684 0.21112570895641 0.85741548155605 204.383 > 141 144 Tl 0.74489494706684 0.21112570895641 0.85741548155605 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4232907 0.0000000 -0.3111251 0.0000000 6.1390176 0.0000000 -0.3111258 0.0000000 5.5994184 -------------------------- Born effective charges -------------------------- 1 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 2 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 3 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 4 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 5 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 6 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 7 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 8 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 9 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 10 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 11 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 12 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 13 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 14 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 15 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 16 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 17 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 18 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 19 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 20 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 21 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 22 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 23 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 24 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 25 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 26 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 27 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 28 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 29 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 30 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 31 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 32 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 33 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 34 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 35 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 36 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 ---------------------------------------------------------------------------- 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 33, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 81, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 129, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000164 (yxy) 0.00000164 (yxy) 0.00000164 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000187 (yz) -0.00000187 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:21:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:21:45]------------------------- 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): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.162421840083090 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -3.485684125070626 0.000000000000000 7.638872329954530 Atomic positions (fractional): 1 O 0.12616586607642 0.34730593052108 0.01926347041395 15.999 2 O 0.87383413392358 0.84730593052108 0.48073652958605 15.999 3 O 0.87383413392358 0.65269406947892 0.98073652958605 15.999 4 O 0.12616586607642 0.15269406947892 0.51926347041395 15.999 5 O 0.27699576113396 0.37660849573484 0.75631087613664 15.999 6 O 0.72300423886604 0.87660849573484 0.74368912386336 15.999 7 O 0.72300423886604 0.62339150426516 0.24368912386336 15.999 8 O 0.27699576113396 0.12339150426516 0.25631087613664 15.999 9 O 0.05060090354052 0.59743438410391 0.57068611848487 15.999 10 O 0.94939909645948 0.09743438410391 0.92931388151513 15.999 11 O 0.94939909645948 0.40256561589609 0.42931388151513 15.999 12 O 0.05060090354052 0.90256561589609 0.07068611848487 15.999 13 O 0.71216538143341 0.67260249442546 0.59609128667293 15.999 14 O 0.28783461856659 0.17260249442546 0.90390871332707 15.999 15 O 0.28783461856659 0.32739750557454 0.40390871332707 15.999 16 O 0.71216538143341 0.82739750557454 0.09609128667293 15.999 17 O 0.88289849742603 0.04797055282792 0.23284563389282 15.999 18 O 0.11710150257397 0.54797055282792 0.26715436610718 15.999 19 O 0.11710150257397 0.95202944717208 0.76715436610718 15.999 20 O 0.88289849742603 0.45202944717208 0.73284563389282 15.999 21 Te 0.06235879740145 0.29625410223517 0.78806862003046 127.600 22 Te 0.93764120259855 0.79625410223517 0.71193137996954 127.600 23 Te 0.93764120259855 0.70374589776483 0.21193137996954 127.600 24 Te 0.06235879740145 0.20374589776483 0.28806862003046 127.600 25 Te 0.78308398209872 0.52826650611099 0.50346176846219 127.600 26 Te 0.21691601790128 0.02826650611099 0.99653823153781 127.600 27 Te 0.21691601790128 0.47173349388901 0.49653823153781 127.600 28 Te 0.78308398209872 0.97173349388901 0.00346176846219 127.600 29 Tl 0.78300180140055 0.44090858945876 0.01670722933590 204.383 30 Tl 0.21699819859945 0.94090858945876 0.48329277066410 204.383 31 Tl 0.21699819859945 0.55909141054124 0.98329277066410 204.383 32 Tl 0.78300180140055 0.05909141054124 0.51670722933590 204.383 33 Tl 0.48978989413367 0.28887429104360 0.21483096311211 204.383 34 Tl 0.51021010586633 0.78887429104359 0.28516903688789 204.383 35 Tl 0.51021010586633 0.71112570895641 0.78516903688789 204.383 36 Tl 0.48978989413367 0.21112570895641 0.71483096311211 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.324843680166181 0.000000000000000 0.000000000000000 b 0.000000000000000 11.862778530000002 0.000000000000000 c -6.971368250141252 0.000000000000000 15.277744659909059 Atomic positions (fractional): 1 O 0.06308293303821 0.34730593052108 0.00963173520698 15.999 > 1 2 O 0.56308293303821 0.34730593052108 0.00963173520698 15.999 > 1 3 O 0.06308293303821 0.34730593052108 0.50963173520698 15.999 > 1 4 O 0.56308293303821 0.34730593052108 0.50963173520698 15.999 > 1 5 O 0.43691706696179 0.84730593052108 0.24036826479302 15.999 > 5 6 O 0.93691706696179 0.84730593052108 0.24036826479302 15.999 > 5 7 O 0.43691706696179 0.84730593052108 0.74036826479302 15.999 > 5 8 O 0.93691706696179 0.84730593052108 0.74036826479302 15.999 > 5 9 O 0.43691706696179 0.65269406947892 0.49036826479302 15.999 > 9 10 O 0.93691706696179 0.65269406947892 0.49036826479302 15.999 > 9 11 O 0.43691706696179 0.65269406947892 0.99036826479302 15.999 > 9 12 O 0.93691706696179 0.65269406947892 0.99036826479302 15.999 > 9 13 O 0.06308293303821 0.15269406947892 0.25963173520698 15.999 > 13 14 O 0.56308293303821 0.15269406947892 0.25963173520698 15.999 > 13 15 O 0.06308293303821 0.15269406947892 0.75963173520698 15.999 > 13 16 O 0.56308293303821 0.15269406947892 0.75963173520698 15.999 > 13 17 O 0.13849788056698 0.37660849573484 0.37815543806832 15.999 > 17 18 O 0.63849788056698 0.37660849573484 0.37815543806832 15.999 > 17 19 O 0.13849788056698 0.37660849573484 0.87815543806832 15.999 > 17 20 O 0.63849788056698 0.37660849573484 0.87815543806832 15.999 > 17 21 O 0.36150211943302 0.87660849573484 0.37184456193168 15.999 > 21 22 O 0.86150211943302 0.87660849573484 0.37184456193168 15.999 > 21 23 O 0.36150211943302 0.87660849573484 0.87184456193168 15.999 > 21 24 O 0.86150211943302 0.87660849573484 0.87184456193168 15.999 > 21 25 O 0.36150211943302 0.62339150426516 0.12184456193168 15.999 > 25 26 O 0.86150211943302 0.62339150426516 0.12184456193168 15.999 > 25 27 O 0.36150211943302 0.62339150426516 0.62184456193168 15.999 > 25 28 O 0.86150211943302 0.62339150426516 0.62184456193168 15.999 > 25 29 O 0.13849788056698 0.12339150426516 0.12815543806832 15.999 > 29 30 O 0.63849788056698 0.12339150426516 0.12815543806832 15.999 > 29 31 O 0.13849788056698 0.12339150426516 0.62815543806832 15.999 > 29 32 O 0.63849788056698 0.12339150426516 0.62815543806832 15.999 > 29 33 O 0.02530045177026 0.59743438410391 0.28534305924244 15.999 > 33 34 O 0.52530045177026 0.59743438410391 0.28534305924244 15.999 > 33 35 O 0.02530045177026 0.59743438410391 0.78534305924244 15.999 > 33 36 O 0.52530045177026 0.59743438410391 0.78534305924244 15.999 > 33 37 O 0.47469954822974 0.09743438410391 0.46465694075756 15.999 > 37 38 O 0.97469954822974 0.09743438410391 0.46465694075756 15.999 > 37 39 O 0.47469954822974 0.09743438410391 0.96465694075756 15.999 > 37 40 O 0.97469954822974 0.09743438410391 0.96465694075756 15.999 > 37 41 O 0.47469954822974 0.40256561589609 0.21465694075756 15.999 > 41 42 O 0.97469954822974 0.40256561589609 0.21465694075756 15.999 > 41 43 O 0.47469954822974 0.40256561589609 0.71465694075756 15.999 > 41 44 O 0.97469954822974 0.40256561589609 0.71465694075756 15.999 > 41 45 O 0.02530045177026 0.90256561589609 0.03534305924244 15.999 > 45 46 O 0.52530045177026 0.90256561589609 0.03534305924244 15.999 > 45 47 O 0.02530045177026 0.90256561589609 0.53534305924244 15.999 > 45 48 O 0.52530045177026 0.90256561589609 0.53534305924244 15.999 > 45 49 O 0.35608269071671 0.67260249442546 0.29804564333647 15.999 > 49 50 O 0.85608269071671 0.67260249442546 0.29804564333647 15.999 > 49 51 O 0.35608269071671 0.67260249442546 0.79804564333647 15.999 > 49 52 O 0.85608269071671 0.67260249442546 0.79804564333647 15.999 > 49 53 O 0.14391730928329 0.17260249442546 0.45195435666353 15.999 > 53 54 O 0.64391730928329 0.17260249442546 0.45195435666353 15.999 > 53 55 O 0.14391730928329 0.17260249442546 0.95195435666353 15.999 > 53 56 O 0.64391730928329 0.17260249442546 0.95195435666353 15.999 > 53 57 O 0.14391730928329 0.32739750557454 0.20195435666353 15.999 > 57 58 O 0.64391730928329 0.32739750557454 0.20195435666353 15.999 > 57 59 O 0.14391730928329 0.32739750557454 0.70195435666353 15.999 > 57 60 O 0.64391730928329 0.32739750557454 0.70195435666353 15.999 > 57 61 O 0.35608269071671 0.82739750557454 0.04804564333647 15.999 > 61 62 O 0.85608269071671 0.82739750557454 0.04804564333647 15.999 > 61 63 O 0.35608269071671 0.82739750557454 0.54804564333647 15.999 > 61 64 O 0.85608269071671 0.82739750557454 0.54804564333647 15.999 > 61 65 O 0.44144924871302 0.04797055282792 0.11642281694641 15.999 > 65 66 O 0.94144924871302 0.04797055282792 0.11642281694641 15.999 > 65 67 O 0.44144924871302 0.04797055282792 0.61642281694641 15.999 > 65 68 O 0.94144924871302 0.04797055282792 0.61642281694641 15.999 > 65 69 O 0.05855075128698 0.54797055282792 0.13357718305359 15.999 > 69 70 O 0.55855075128698 0.54797055282792 0.13357718305359 15.999 > 69 71 O 0.05855075128698 0.54797055282792 0.63357718305359 15.999 > 69 72 O 0.55855075128698 0.54797055282792 0.63357718305359 15.999 > 69 73 O 0.05855075128698 0.95202944717208 0.38357718305359 15.999 > 73 74 O 0.55855075128698 0.95202944717208 0.38357718305359 15.999 > 73 75 O 0.05855075128698 0.95202944717208 0.88357718305359 15.999 > 73 76 O 0.55855075128698 0.95202944717208 0.88357718305359 15.999 > 73 77 O 0.44144924871302 0.45202944717208 0.36642281694641 15.999 > 77 78 O 0.94144924871302 0.45202944717208 0.36642281694641 15.999 > 77 79 O 0.44144924871302 0.45202944717208 0.86642281694641 15.999 > 77 80 O 0.94144924871302 0.45202944717208 0.86642281694641 15.999 > 77 81 Te 0.03117939870073 0.29625410223517 0.39403431001523 127.600 > 81 82 Te 0.53117939870073 0.29625410223517 0.39403431001523 127.600 > 81 83 Te 0.03117939870073 0.29625410223517 0.89403431001523 127.600 > 81 84 Te 0.53117939870073 0.29625410223517 0.89403431001523 127.600 > 81 85 Te 0.46882060129927 0.79625410223517 0.35596568998477 127.600 > 85 86 Te 0.96882060129927 0.79625410223517 0.35596568998477 127.600 > 85 87 Te 0.46882060129927 0.79625410223517 0.85596568998477 127.600 > 85 88 Te 0.96882060129927 0.79625410223517 0.85596568998477 127.600 > 85 89 Te 0.46882060129927 0.70374589776483 0.10596568998477 127.600 > 89 90 Te 0.96882060129927 0.70374589776483 0.10596568998477 127.600 > 89 91 Te 0.46882060129927 0.70374589776483 0.60596568998477 127.600 > 89 92 Te 0.96882060129927 0.70374589776483 0.60596568998477 127.600 > 89 93 Te 0.03117939870073 0.20374589776483 0.14403431001523 127.600 > 93 94 Te 0.53117939870073 0.20374589776483 0.14403431001523 127.600 > 93 95 Te 0.03117939870073 0.20374589776483 0.64403431001523 127.600 > 93 96 Te 0.53117939870073 0.20374589776483 0.64403431001523 127.600 > 93 97 Te 0.39154199104936 0.52826650611099 0.25173088423109 127.600 > 97 98 Te 0.89154199104936 0.52826650611099 0.25173088423109 127.600 > 97 99 Te 0.39154199104936 0.52826650611099 0.75173088423109 127.600 > 97 100 Te 0.89154199104936 0.52826650611099 0.75173088423109 127.600 > 97 101 Te 0.10845800895064 0.02826650611099 0.49826911576891 127.600 > 101 102 Te 0.60845800895064 0.02826650611099 0.49826911576891 127.600 > 101 103 Te 0.10845800895064 0.02826650611099 0.99826911576891 127.600 > 101 104 Te 0.60845800895064 0.02826650611099 0.99826911576891 127.600 > 101 105 Te 0.10845800895064 0.47173349388901 0.24826911576891 127.600 > 105 106 Te 0.60845800895064 0.47173349388901 0.24826911576891 127.600 > 105 107 Te 0.10845800895064 0.47173349388901 0.74826911576891 127.600 > 105 108 Te 0.60845800895064 0.47173349388901 0.74826911576891 127.600 > 105 109 Te 0.39154199104936 0.97173349388901 0.00173088423109 127.600 > 109 110 Te 0.89154199104936 0.97173349388901 0.00173088423109 127.600 > 109 111 Te 0.39154199104936 0.97173349388901 0.50173088423109 127.600 > 109 112 Te 0.89154199104936 0.97173349388901 0.50173088423109 127.600 > 109 113 Tl 0.39150090070028 0.44090858945876 0.00835361466795 204.383 > 113 114 Tl 0.89150090070028 0.44090858945876 0.00835361466795 204.383 > 113 115 Tl 0.39150090070028 0.44090858945876 0.50835361466795 204.383 > 113 116 Tl 0.89150090070028 0.44090858945876 0.50835361466795 204.383 > 113 117 Tl 0.10849909929972 0.94090858945876 0.24164638533205 204.383 > 117 118 Tl 0.60849909929972 0.94090858945876 0.24164638533205 204.383 > 117 119 Tl 0.10849909929972 0.94090858945876 0.74164638533205 204.383 > 117 120 Tl 0.60849909929972 0.94090858945876 0.74164638533205 204.383 > 117 121 Tl 0.10849909929972 0.55909141054124 0.49164638533205 204.383 > 121 122 Tl 0.60849909929972 0.55909141054124 0.49164638533205 204.383 > 121 123 Tl 0.10849909929972 0.55909141054124 0.99164638533205 204.383 > 121 124 Tl 0.60849909929972 0.55909141054124 0.99164638533205 204.383 > 121 125 Tl 0.39150090070028 0.05909141054124 0.25835361466795 204.383 > 125 126 Tl 0.89150090070028 0.05909141054124 0.25835361466795 204.383 > 125 127 Tl 0.39150090070028 0.05909141054124 0.75835361466795 204.383 > 125 128 Tl 0.89150090070028 0.05909141054124 0.75835361466795 204.383 > 125 129 Tl 0.24489494706684 0.28887429104360 0.10741548155605 204.383 > 129 130 Tl 0.74489494706684 0.28887429104360 0.10741548155605 204.383 > 129 131 Tl 0.24489494706684 0.28887429104360 0.60741548155605 204.383 > 129 132 Tl 0.74489494706684 0.28887429104360 0.60741548155605 204.383 > 129 133 Tl 0.25510505293316 0.78887429104359 0.14258451844395 204.383 > 133 134 Tl 0.75510505293316 0.78887429104359 0.14258451844395 204.383 > 133 135 Tl 0.25510505293316 0.78887429104359 0.64258451844395 204.383 > 133 136 Tl 0.75510505293316 0.78887429104359 0.64258451844395 204.383 > 133 137 Tl 0.25510505293316 0.71112570895641 0.39258451844395 204.383 > 137 138 Tl 0.75510505293316 0.71112570895641 0.39258451844395 204.383 > 137 139 Tl 0.25510505293316 0.71112570895641 0.89258451844395 204.383 > 137 140 Tl 0.75510505293316 0.71112570895641 0.89258451844395 204.383 > 137 141 Tl 0.24489494706684 0.21112570895641 0.35741548155605 204.383 > 141 142 Tl 0.74489494706684 0.21112570895641 0.35741548155605 204.383 > 141 143 Tl 0.24489494706684 0.21112570895641 0.85741548155605 204.383 > 141 144 Tl 0.74489494706684 0.21112570895641 0.85741548155605 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4232907 0.0000000 -0.3111251 0.0000000 6.1390176 0.0000000 -0.3111258 0.0000000 5.5994184 -------------------------- Born effective charges -------------------------- 1 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 2 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 3 O -2.0918268 0.2105598 0.3047341 0.1932481 -2.2942904 0.0246050 -0.1494759 -0.0368228 -2.8764811 4 O -2.0918268 -0.2105598 0.3047341 -0.1932481 -2.2942904 -0.0246050 -0.1494759 0.0368228 -2.8764811 5 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 6 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 7 O -2.6255481 -0.2642817 0.5544469 -0.1593867 -2.5850565 0.5791692 1.1943236 0.9106291 -2.2529340 8 O -2.6255481 0.2642817 0.5544469 0.1593867 -2.5850565 -0.5791692 1.1943236 -0.9106291 -2.2529340 9 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 10 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 11 O -2.6295458 0.5315384 0.1231861 1.0037714 -2.2385011 -0.1310769 0.7604726 -0.4120773 -1.7980082 12 O -2.6295458 -0.5315384 0.1231861 -1.0037714 -2.2385011 0.1310769 0.7604726 0.4120773 -1.7980082 13 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 14 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 15 O -2.1199832 0.6780279 0.4054990 -0.1557729 -3.9495178 -1.2650071 0.0776318 -1.0343874 -2.3082157 16 O -2.1199832 -0.6780279 0.4054990 0.1557729 -3.9495178 1.2650071 0.0776318 1.0343874 -2.3082157 17 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 18 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 19 O -1.6029758 -0.2069523 0.1417167 -0.6946599 -3.0947421 -1.4522160 -0.3427403 -1.1314988 -3.3030367 20 O -1.6029758 0.2069523 0.1417167 0.6946599 -3.0947421 1.4522160 -0.3427403 1.1314988 -3.3030367 21 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 22 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 23 Te 3.1371646 -0.2301932 -0.5332193 -1.5147846 5.6731364 -0.7646447 -0.4223942 -1.2285800 3.8639171 24 Te 3.1371646 0.2301932 -0.5332193 1.5147846 5.6731364 0.7646447 -0.4223942 1.2285800 3.8639171 25 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 26 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 27 Te 3.4050158 -0.8790838 -0.8351038 -1.4752337 5.1996038 -1.4744939 -1.1977216 -0.5905979 4.9606690 28 Te 3.4050158 0.8790838 -0.8351038 1.4752337 5.1996038 1.4744939 -1.1977216 0.5905979 4.9606690 29 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 30 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 31 Tl 2.0326563 0.0347760 -0.3171230 0.1468678 1.9558720 0.2392414 -0.2247043 0.3635657 1.7956159 32 Tl 2.0326563 -0.0347760 -0.3171230 -0.1468678 1.9558720 -0.2392414 -0.2247043 -0.3635657 1.7956159 33 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 34 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 35 Tl 2.4950431 0.4105874 0.1558633 0.2769424 1.3334957 0.1336690 0.3046083 0.1224151 1.9184735 36 Tl 2.4950431 -0.4105874 0.1558633 -0.2769424 1.3334957 -0.1336690 0.3046083 -0.1224151 1.9184735 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000164 (yxy) 0.00000164 (yxy) 0.00000164 (yyx) 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 ... [ 8 4 7 ] 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: 0.48, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/87) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 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 0.906 ( 0.000 0.000 0.000) 0.000 0.934 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.190 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.347 ( 0.000 0.000 0.000) 0.000 1.371 ( 0.000 0.000 0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.323 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.554 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.923 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.974 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 14.206 ( 0.000 0.000 0.000) 0.000 14.260 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 15.594 ( 0.000 0.000 0.000) 0.000 15.915 ( 0.000 0.000 0.000) 0.000 16.196 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 17.607 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.174 ( 0.000 0.000 0.000) 0.000 18.745 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 0.000) 0.000 19.345 ( 0.000 0.000 0.000) 0.000 19.561 ( 0.000 0.000 0.000) 0.000 19.940 ( 0.000 0.000 0.000) 0.000 19.967 ( 0.000 0.000 0.000) 0.000 20.432 ( 0.000 0.000 0.000) 0.000 20.604 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/87) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( 7.999 0.000 9.740) 12.604 0.220 ( 8.894 0.000 7.022) 11.332 0.276 ( 15.334 0.000 -0.557) 15.344 0.897 ( -1.667 0.000 1.549) 2.275 0.941 ( 1.466 0.000 -1.406) 2.031 0.945 ( -3.429 0.000 1.054) 3.588 0.986 ( -0.286 0.000 0.854) 0.901 1.082 ( -2.336 0.000 -1.277) 2.662 1.089 ( 0.601 0.000 -0.864) 1.052 1.144 ( 0.755 0.000 -0.154) 0.770 1.178 ( 0.551 0.000 -0.986) 1.129 1.208 ( 1.258 0.000 -0.758) 1.469 1.215 ( -0.749 0.000 0.110) 0.757 1.285 ( -1.658 0.000 0.323) 1.689 1.384 ( 1.647 0.000 -0.356) 1.685 1.389 ( 0.852 0.000 -2.182) 2.343 1.414 ( -1.098 0.000 -0.264) 1.129 1.502 ( -2.459 0.000 0.255) 2.473 1.625 ( -2.081 0.000 2.774) 3.468 1.641 ( 2.516 0.000 -4.386) 5.056 1.754 ( 4.827 0.000 -9.967) 11.074 1.905 ( -0.321 0.000 0.941) 0.995 1.941 ( -1.409 0.000 3.972) 4.214 2.013 ( -0.721 0.000 0.576) 0.923 2.019 ( 3.579 0.000 -0.503) 3.614 2.092 ( 3.944 0.000 -1.801) 4.335 2.309 ( 0.724 0.000 -0.478) 0.868 2.321 ( 0.920 0.000 3.476) 3.596 2.337 ( 1.637 0.000 -0.419) 1.690 2.637 ( 0.809 0.000 -2.485) 2.613 2.665 ( -17.904 0.000 35.944) 40.157 2.816 ( -0.817 0.000 1.400) 1.621 2.940 ( 0.865 0.000 2.751) 2.884 3.187 ( -1.093 0.000 -0.953) 1.450 3.414 ( 3.288 0.000 -8.704) 9.304 3.548 ( -0.450 0.000 1.169) 1.253 3.558 ( -1.263 0.000 0.602) 1.399 3.859 ( -0.818 0.000 -1.476) 1.688 3.917 ( 0.535 0.000 1.378) 1.478 3.973 ( -2.228 0.000 1.380) 2.620 4.037 ( 0.378 0.000 -0.012) 0.379 4.184 ( 0.766 0.000 1.981) 2.124 4.288 ( -1.397 0.000 -0.466) 1.473 4.331 ( 6.477 0.000 -17.882) 19.018 4.833 ( -0.659 0.000 0.365) 0.753 5.025 ( -0.618 0.000 0.028) 0.618 5.034 ( -1.134 0.000 1.359) 1.770 5.342 ( -0.021 0.000 0.059) 0.062 5.469 ( -0.638 0.000 1.126) 1.294 5.493 ( 1.338 0.000 0.665) 1.494 5.551 ( 0.034 0.000 -0.477) 0.478 5.729 ( 9.825 0.000 -22.125) 24.208 5.994 ( -1.697 0.000 -3.035) 3.477 6.137 ( 8.386 0.000 -20.567) 22.211 6.399 ( -0.660 0.000 2.538) 2.623 6.624 ( -0.563 0.000 -1.591) 1.688 6.708 ( 1.120 0.000 -0.022) 1.120 7.046 ( -0.343 0.000 0.486) 0.595 7.158 ( -0.039 0.000 0.905) 0.905 7.160 ( 0.077 0.000 0.494) 0.500 7.313 ( -14.437 0.000 31.956) 35.065 7.340 ( 0.605 0.000 0.473) 0.768 7.743 ( -0.135 0.000 0.019) 0.137 7.869 ( -0.655 0.000 0.235) 0.696 8.429 ( 1.066 0.000 -2.352) 2.582 8.561 ( -2.059 0.000 4.528) 4.974 8.884 ( 0.720 0.000 0.027) 0.721 9.068 ( -1.727 0.000 -0.477) 1.792 9.236 ( 0.906 0.000 0.799) 1.208 9.578 ( -0.749 0.000 0.316) 0.813 9.957 ( -0.961 0.000 -3.264) 3.403 10.145 ( -7.325 0.000 13.560) 15.412 10.156 ( 0.529 0.000 -4.418) 4.449 10.245 ( 0.835 0.000 -3.955) 4.042 10.297 ( 0.614 0.000 2.649) 2.720 10.555 ( -11.348 0.000 25.817) 28.201 10.650 ( -6.349 0.000 8.286) 10.439 10.794 ( 3.990 0.000 -3.570) 5.354 10.951 ( -2.695 0.000 -0.914) 2.846 11.384 ( -0.926 0.000 0.417) 1.015 11.595 ( -1.931 0.000 3.853) 4.310 11.658 ( 1.072 0.000 0.394) 1.142 11.776 ( 0.830 0.000 -1.097) 1.375 12.292 ( -8.194 0.000 9.996) 12.925 12.966 ( 4.012 0.000 0.805) 4.092 13.166 ( 4.551 0.000 -19.363) 19.891 14.210 ( -0.041 0.000 1.012) 1.013 14.267 ( 0.813 0.000 -0.218) 0.842 14.432 ( -0.353 0.000 0.177) 0.395 14.679 ( 2.737 0.000 -0.873) 2.873 15.000 ( 22.256 0.000 -40.350) 46.081 15.561 ( -2.800 0.000 -1.450) 3.153 15.913 ( -0.919 0.000 1.504) 1.763 16.184 ( -1.723 0.000 1.139) 2.066 16.328 ( -4.263 0.000 -2.949) 5.184 16.920 ( -14.672 0.000 15.848) 21.597 17.609 ( 0.516 0.000 -0.522) 0.734 17.793 ( 2.139 0.000 1.432) 2.574 18.116 ( 0.171 0.000 0.521) 0.548 18.189 ( 1.217 0.000 0.813) 1.464 18.733 ( -0.099 0.000 -2.661) 2.662 18.877 ( -0.424 0.000 2.223) 2.263 19.588 ( 5.508 0.000 -8.513) 10.140 19.607 ( 5.460 0.000 -1.375) 5.630 19.948 ( -0.101 0.000 2.221) 2.224 20.419 ( -1.108 0.000 -0.742) 1.334 20.434 ( -0.139 0.000 1.453) 1.460 20.589 ( -2.138 0.000 0.894) 2.317 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 7.325 0.000 5.885) 9.396 0.423 ( 8.504 0.000 5.597) 10.180 0.515 ( 11.598 0.000 1.169) 11.657 0.877 ( -2.434 0.000 2.333) 3.372 0.896 ( -2.591 0.000 1.985) 3.264 0.958 ( 1.383 0.000 -1.720) 2.207 0.992 ( 0.352 0.000 1.061) 1.118 1.036 ( -1.509 0.000 -2.260) 2.718 1.099 ( 1.285 0.000 -0.858) 1.545 1.137 ( -0.905 0.000 0.028) 0.905 1.166 ( -1.327 0.000 -0.655) 1.480 1.220 ( 0.715 0.000 0.696) 0.998 1.229 ( 2.568 0.000 -1.927) 3.210 1.259 ( -1.620 0.000 1.267) 2.056 1.382 ( -0.288 0.000 -0.792) 0.843 1.387 ( -1.080 0.000 -0.395) 1.150 1.423 ( 2.520 0.000 -0.327) 2.541 1.461 ( -2.253 0.000 0.838) 2.404 1.611 ( -1.332 0.000 1.718) 2.174 1.654 ( 2.894 0.000 -4.281) 5.167 1.760 ( 1.647 0.000 -2.692) 3.156 1.902 ( -0.909 0.000 0.884) 1.268 1.965 ( -0.091 0.000 4.929) 4.930 2.000 ( -1.429 0.000 0.893) 1.685 2.076 ( 3.307 0.000 -0.830) 3.409 2.154 ( 3.777 0.000 -0.638) 3.830 2.319 ( 1.703 0.000 -2.785) 3.265 2.365 ( 1.492 0.000 -0.026) 1.492 2.376 ( 1.328 0.000 4.878) 5.055 2.632 ( 1.451 0.000 -3.203) 3.516 2.636 ( -6.238 0.000 10.148) 11.912 2.812 ( -1.163 0.000 1.982) 2.298 2.988 ( 1.763 0.000 3.016) 3.494 3.152 ( -1.916 0.000 -0.758) 2.060 3.390 ( 0.083 0.000 -4.932) 4.932 3.535 ( -1.998 0.000 0.900) 2.191 3.552 ( -0.005 0.000 0.964) 0.964 3.840 ( 0.031 0.000 -1.327) 1.328 3.929 ( -0.249 0.000 1.098) 1.126 3.948 ( -1.013 0.000 -0.123) 1.020 4.041 ( 0.092 0.000 0.163) 0.187 4.217 ( -0.853 0.000 5.515) 5.580 4.256 ( -0.173 0.000 -3.268) 3.273 4.298 ( 2.275 0.000 -9.007) 9.290 4.820 ( -1.214 0.000 0.685) 1.394 5.010 ( -1.134 0.000 0.067) 1.136 5.025 ( -1.373 0.000 2.091) 2.502 5.345 ( 0.407 0.000 -0.012) 0.407 5.459 ( -1.295 0.000 0.621) 1.436 5.528 ( 1.715 0.000 0.885) 1.930 5.553 ( 0.323 0.000 0.297) 0.439 5.719 ( 4.040 0.000 -10.632) 11.374 5.925 ( -2.539 0.000 -4.112) 4.833 6.115 ( 2.183 0.000 -7.551) 7.860 6.409 ( -0.886 0.000 3.129) 3.253 6.603 ( -0.397 0.000 -1.405) 1.460 6.721 ( 0.450 0.000 -0.536) 0.700 7.041 ( -0.653 0.000 0.615) 0.897 7.167 ( 0.236 0.000 0.583) 0.629 7.171 ( 0.403 0.000 1.398) 1.455 7.317 ( -5.595 0.000 12.868) 14.032 7.361 ( 1.162 0.000 0.827) 1.426 7.742 ( 0.062 0.000 -0.019) 0.065 7.854 ( -1.273 0.000 0.479) 1.360 8.431 ( 1.817 0.000 -3.405) 3.859 8.560 ( -2.128 0.000 4.239) 4.743 8.902 ( 1.373 0.000 -0.272) 1.400 9.025 ( -2.682 0.000 -0.303) 2.699 9.262 ( 1.044 0.000 0.952) 1.413 9.565 ( -0.994 0.000 0.595) 1.159 9.900 ( -1.318 0.000 -5.297) 5.459 10.128 ( -5.061 0.000 9.765) 10.998 10.128 ( 1.201 0.000 -5.579) 5.707 10.221 ( 0.858 0.000 -5.609) 5.674 10.339 ( 1.072 0.000 3.691) 3.844 10.558 ( -4.741 0.000 10.150) 11.202 10.617 ( -6.354 0.000 11.382) 13.036 10.807 ( -2.865 0.000 -0.598) 2.927 10.880 ( 0.650 0.000 -6.575) 6.607 11.389 ( 0.525 0.000 1.682) 1.762 11.584 ( -1.974 0.000 1.778) 2.657 11.685 ( 1.323 0.000 0.711) 1.501 11.790 ( 2.128 0.000 -1.824) 2.802 12.205 ( -7.443 0.000 3.386) 8.177 13.055 ( 4.691 0.000 0.909) 4.778 13.086 ( -0.461 0.000 -8.362) 8.375 14.217 ( -0.268 0.000 1.139) 1.170 14.282 ( 1.033 0.000 -0.174) 1.048 14.425 ( -0.545 0.000 0.216) 0.586 14.726 ( 3.314 0.000 -1.371) 3.586 15.082 ( 11.677 0.000 -14.722) 18.790 15.490 ( -3.514 0.000 -1.249) 3.729 15.907 ( -1.259 0.000 1.851) 2.239 16.161 ( -2.090 0.000 1.816) 2.769 16.214 ( -4.800 0.000 -4.072) 6.294 16.755 ( -11.827 0.000 2.879) 12.173 17.615 ( 0.321 0.000 0.105) 0.338 17.853 ( 2.880 0.000 1.845) 3.421 18.124 ( 0.191 0.000 0.579) 0.610 18.222 ( 1.537 0.000 0.925) 1.794 18.705 ( 0.004 0.000 -3.612) 3.612 18.898 ( 0.243 0.000 3.424) 3.433 19.623 ( 3.181 0.000 -2.316) 3.935 19.704 ( 6.530 0.000 -2.059) 6.847 19.968 ( -0.092 0.000 2.886) 2.887 20.389 ( -1.400 0.000 -0.684) 1.558 20.446 ( 0.965 0.000 -0.399) 1.044 20.546 ( -3.380 0.000 0.858) 3.487 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 4.425 0.000 3.636) 5.727 0.564 ( 4.716 0.000 -0.057) 4.717 0.695 ( 6.615 0.000 3.373) 7.425 0.861 ( -0.822 0.000 1.748) 1.932 0.888 ( -0.861 0.000 2.607) 2.745 0.953 ( -0.434 0.000 -0.630) 0.765 0.992 ( -1.300 0.000 -2.640) 2.942 1.012 ( 0.835 0.000 -0.159) 0.850 1.117 ( 1.885 0.000 -1.475) 2.393 1.127 ( -1.800 0.000 -1.413) 2.289 1.138 ( 0.195 0.000 1.774) 1.785 1.236 ( 0.232 0.000 1.002) 1.028 1.249 ( 0.682 0.000 -0.323) 0.755 1.268 ( 1.193 0.000 1.077) 1.607 1.362 ( -0.917 0.000 -1.755) 1.980 1.371 ( -0.303 0.000 -0.280) 0.412 1.446 ( -0.623 0.000 1.599) 1.716 1.463 ( 2.022 0.000 -0.140) 2.027 1.609 ( -0.358 0.000 1.369) 1.415 1.672 ( 2.615 0.000 -3.440) 4.321 1.767 ( 0.170 0.000 0.271) 0.320 1.888 ( -1.040 0.000 0.224) 1.064 1.980 ( -1.452 0.000 0.740) 1.630 2.006 ( 0.259 0.000 4.219) 4.227 2.116 ( 1.993 0.000 -0.805) 2.149 2.202 ( 1.795 0.000 0.088) 1.798 2.318 ( 1.218 0.000 -3.643) 3.841 2.383 ( 0.490 0.000 0.075) 0.496 2.436 ( 1.101 0.000 4.103) 4.248 2.611 ( -1.910 0.000 1.479) 2.415 2.641 ( 1.740 0.000 -1.788) 2.495 2.806 ( -0.996 0.000 1.377) 1.699 3.039 ( 1.722 0.000 1.330) 2.176 3.118 ( -1.640 0.000 0.834) 1.840 3.342 ( -1.233 0.000 -3.627) 3.831 3.508 ( -1.645 0.000 0.698) 1.787 3.561 ( 0.185 0.000 0.741) 0.764 3.836 ( 0.405 0.000 -0.943) 1.027 3.929 ( -0.457 0.000 0.700) 0.836 3.939 ( 0.179 0.000 -0.410) 0.447 4.045 ( 0.033 0.000 0.402) 0.403 4.217 ( -2.722 0.000 3.765) 4.646 4.257 ( 2.047 0.000 -2.062) 2.906 4.272 ( 0.944 0.000 -4.402) 4.502 4.805 ( -1.034 0.000 0.602) 1.197 4.990 ( -1.017 0.000 0.075) 1.020 5.021 ( -0.796 0.000 1.652) 1.834 5.354 ( 0.547 0.000 -0.085) 0.554 5.439 ( -1.059 0.000 0.051) 1.060 5.559 ( 1.033 0.000 0.485) 1.141 5.563 ( 0.287 0.000 0.689) 0.746 5.702 ( 1.433 0.000 -5.301) 5.491 5.855 ( -1.849 0.000 -2.835) 3.384 6.098 ( 0.492 0.000 -2.597) 2.644 6.416 ( -0.620 0.000 1.990) 2.084 6.588 ( -0.178 0.000 -0.862) 0.880 6.718 ( -0.109 0.000 -0.557) 0.568 7.034 ( -0.563 0.000 0.365) 0.670 7.175 ( 0.223 0.000 0.327) 0.396 7.192 ( 0.766 0.000 0.897) 1.180 7.320 ( -2.478 0.000 5.506) 6.038 7.388 ( 1.066 0.000 0.692) 1.271 7.745 ( 0.216 0.000 -0.067) 0.226 7.836 ( -1.142 0.000 0.468) 1.234 8.438 ( 1.689 0.000 -2.618) 3.115 8.555 ( -1.686 0.000 2.924) 3.376 8.924 ( 1.822 0.000 -1.244) 2.207 8.978 ( -2.705 0.000 0.849) 2.835 9.283 ( 0.590 0.000 0.571) 0.821 9.556 ( -0.611 0.000 0.617) 0.868 9.840 ( -0.892 0.000 -4.109) 4.204 10.115 ( 1.505 0.000 -3.727) 4.020 10.128 ( -2.955 0.000 7.850) 8.387 10.188 ( 0.745 0.000 -5.782) 5.830 10.383 ( 0.903 0.000 2.593) 2.746 10.552 ( -2.203 0.000 3.787) 4.381 10.607 ( -6.019 0.000 13.108) 14.424 10.701 ( -2.952 0.000 -7.256) 7.833 10.883 ( 2.269 0.000 -3.055) 3.806 11.416 ( 0.778 0.000 1.416) 1.616 11.559 ( -1.745 0.000 0.736) 1.894 11.709 ( 0.836 0.000 0.533) 0.992 11.820 ( 2.611 0.000 -1.565) 3.044 12.105 ( -5.617 0.000 1.337) 5.774 13.029 ( -0.584 0.000 -3.524) 3.572 13.127 ( 2.700 0.000 0.515) 2.749 14.218 ( -0.336 0.000 0.635) 0.719 14.297 ( 0.662 0.000 -0.085) 0.667 14.419 ( -0.306 0.000 0.156) 0.343 14.764 ( 2.037 0.000 -1.044) 2.289 15.156 ( 5.550 0.000 -5.261) 7.647 15.433 ( -2.009 0.000 -0.423) 2.053 15.901 ( -0.850 0.000 1.528) 1.748 16.116 ( -2.804 0.000 -3.144) 4.213 16.148 ( -0.839 0.000 1.545) 1.758 16.587 ( -7.590 0.000 -0.563) 7.611 17.620 ( 0.064 0.000 0.273) 0.281 17.910 ( 1.968 0.000 1.218) 2.314 18.131 ( 0.125 0.000 0.342) 0.365 18.250 ( 0.899 0.000 0.472) 1.015 18.681 ( 0.111 0.000 -2.465) 2.468 18.933 ( 0.613 0.000 2.687) 2.756 19.655 ( 1.554 0.000 -0.405) 1.606 19.786 ( 4.124 0.000 -1.570) 4.413 19.987 ( -0.004 0.000 1.858) 1.858 20.365 ( -0.799 0.000 -0.231) 0.832 20.459 ( 0.843 0.000 -0.597) 1.033 20.494 ( -2.776 0.000 0.322) 2.795 ======================= Grid point 4 (5/87) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 0.000 0.000) 0.000 0.613 ( 0.000 0.000 0.000) 0.000 0.773 ( 0.000 0.000 0.000) 0.000 0.866 ( 0.000 0.000 0.000) 0.000 0.897 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 -0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.130 ( -0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 -0.000) 0.000 1.243 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 -0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 -0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 -0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 -0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 -0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 8.443 ( -0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 -0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 0.000) 0.000 10.115 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 -0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 10.632 ( 0.000 0.000 -0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 -0.000) 0.000 11.545 ( 0.000 0.000 -0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.841 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 13.010 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 14.217 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 15.184 ( 0.000 0.000 0.000) 0.000 15.414 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 -0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.150 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 17.622 ( 0.000 0.000 0.000) 0.000 17.933 ( 0.000 0.000 0.000) 0.000 18.133 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 19.667 ( 0.000 0.000 0.000) 0.000 19.816 ( 0.000 0.000 0.000) 0.000 19.995 ( 0.000 0.000 0.000) 0.000 20.358 ( 0.000 0.000 0.000) 0.000 20.464 ( 0.000 0.000 0.000) 0.000 20.469 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/87) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( 0.000 9.437 0.000) 9.437 0.338 ( 0.000 15.797 0.000) 15.797 0.444 ( 0.000 13.302 0.000) 13.302 0.823 ( 0.000 -4.920 0.000) 4.920 0.877 ( 0.000 -5.151 0.000) 5.151 0.929 ( 0.000 2.010 0.000) 2.010 1.037 ( 0.000 1.070 0.000) 1.070 1.084 ( 0.000 0.066 0.000) 0.066 1.154 ( 0.000 2.282 0.000) 2.282 1.184 ( 0.000 1.777 0.000) 1.777 1.194 ( 0.000 -0.356 0.000) 0.356 1.248 ( 0.000 3.118 0.000) 3.118 1.277 ( 0.000 -2.488 0.000) 2.488 1.334 ( 0.000 0.489 0.000) 0.489 1.344 ( 0.000 0.135 0.000) 0.135 1.387 ( 0.000 1.533 0.000) 1.533 1.443 ( 0.000 0.081 0.000) 0.081 1.511 ( 0.000 -1.184 0.000) 1.184 1.582 ( 0.000 -4.329 0.000) 4.329 1.604 ( 0.000 -2.649 0.000) 2.649 1.689 ( 0.000 0.784 0.000) 0.784 1.855 ( 0.000 -5.354 0.000) 5.354 1.947 ( 0.000 -1.141 0.000) 1.141 1.972 ( 0.000 2.021 0.000) 2.021 2.020 ( 0.000 -3.187 0.000) 3.187 2.038 ( 0.000 0.745 0.000) 0.745 2.190 ( 0.000 -3.860 0.000) 3.860 2.296 ( 0.000 -3.689 0.000) 3.689 2.335 ( 0.000 -2.963 0.000) 2.963 2.346 ( 0.000 -3.429 0.000) 3.429 2.791 ( 0.000 1.310 0.000) 1.310 2.811 ( 0.000 10.529 0.000) 10.529 2.981 ( 0.000 -0.248 0.000) 0.248 3.223 ( 0.000 -11.000 0.000) 11.000 3.232 ( 0.000 7.627 0.000) 7.627 3.613 ( 0.000 2.747 0.000) 2.747 3.735 ( 0.000 2.701 0.000) 2.701 3.879 ( 0.000 0.004 0.000) 0.004 3.925 ( 0.000 -1.368 0.000) 1.368 3.980 ( 0.000 -8.703 0.000) 8.703 4.129 ( 0.000 6.906 0.000) 6.906 4.146 ( 0.000 8.184 0.000) 8.184 4.354 ( 0.000 7.023 0.000) 7.023 4.739 ( 0.000 -9.213 0.000) 9.213 4.918 ( 0.000 3.758 0.000) 3.758 5.032 ( 0.000 4.093 0.000) 4.093 5.064 ( 0.000 0.467 0.000) 0.467 5.353 ( 0.000 1.896 0.000) 1.896 5.409 ( 0.000 -6.118 0.000) 6.118 5.493 ( 0.000 -4.515 0.000) 4.515 5.714 ( 0.000 8.607 0.000) 8.607 5.966 ( 0.000 -3.293 0.000) 3.293 6.077 ( 0.000 3.182 0.000) 3.182 6.361 ( 0.000 -8.216 0.000) 8.216 6.452 ( 0.000 7.552 0.000) 7.552 6.734 ( 0.000 8.037 0.000) 8.037 6.777 ( 0.000 3.402 0.000) 3.402 6.993 ( 0.000 -1.192 0.000) 1.192 7.114 ( 0.000 -7.055 0.000) 7.055 7.128 ( 0.000 -5.777 0.000) 5.777 7.414 ( 0.000 17.516 0.000) 17.516 7.722 ( 0.000 -0.831 0.000) 0.831 7.862 ( 0.000 -1.102 0.000) 1.102 8.181 ( 0.000 -15.019 0.000) 15.019 8.546 ( 0.000 0.056 0.000) 0.056 8.641 ( 0.000 0.693 0.000) 0.693 9.091 ( 0.000 -0.693 0.000) 0.693 9.120 ( 0.000 -7.423 0.000) 7.423 9.531 ( 0.000 15.355 0.000) 15.355 9.873 ( 0.000 -2.243 0.000) 2.243 9.989 ( 0.000 -0.490 0.000) 0.490 9.996 ( 0.000 -1.171 0.000) 1.171 10.104 ( 0.000 -5.241 0.000) 5.241 10.316 ( 0.000 -11.186 0.000) 11.186 10.342 ( 0.000 5.835 0.000) 5.835 10.512 ( 0.000 14.875 0.000) 14.875 10.648 ( 0.000 -8.181 0.000) 8.181 10.967 ( 0.000 -2.636 0.000) 2.636 11.309 ( 0.000 0.374 0.000) 0.374 11.510 ( 0.000 -5.346 0.000) 5.346 11.558 ( 0.000 11.515 0.000) 11.515 11.765 ( 0.000 0.476 0.000) 0.476 11.779 ( 0.000 0.141 0.000) 0.141 11.927 ( 0.000 -4.009 0.000) 4.009 13.171 ( 0.000 2.084 0.000) 2.084 13.405 ( 0.000 -7.359 0.000) 7.359 14.257 ( 0.000 -0.131 0.000) 0.131 14.350 ( 0.000 -5.483 0.000) 5.483 14.509 ( 0.000 1.780 0.000) 1.780 14.618 ( 0.000 -2.593 0.000) 2.593 15.280 ( 0.000 10.570 0.000) 10.570 15.570 ( 0.000 -2.487 0.000) 2.487 16.218 ( 0.000 2.042 0.000) 2.042 16.348 ( 0.000 -2.885 0.000) 2.885 16.657 ( 0.000 3.956 0.000) 3.956 16.840 ( 0.000 -2.852 0.000) 2.852 17.626 ( 0.000 1.762 0.000) 1.762 17.738 ( 0.000 -2.512 0.000) 2.512 18.127 ( 0.000 1.196 0.000) 1.196 18.169 ( 0.000 -0.482 0.000) 0.482 18.761 ( 0.000 1.433 0.000) 1.433 18.850 ( 0.000 -1.993 0.000) 1.993 19.385 ( 0.000 3.479 0.000) 3.479 19.563 ( 0.000 -3.401 0.000) 3.401 19.954 ( 0.000 1.066 0.000) 1.066 19.971 ( 0.000 0.276 0.000) 0.276 20.576 ( 0.000 0.383 0.000) 0.383 20.599 ( 0.000 -0.466 0.000) 0.466 ======================= Grid point 10 (7/87) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 7.585 5.221 -2.300) 9.492 0.383 ( 8.939 12.608 -5.557) 16.424 0.486 ( 0.275 7.701 7.738) 10.921 0.840 ( 1.856 -3.262 -0.478) 3.784 0.871 ( -0.632 -4.349 0.292) 4.404 0.926 ( -0.605 1.138 0.592) 1.418 1.019 ( -1.519 1.042 -0.548) 1.922 1.051 ( -2.811 -1.443 -1.042) 3.328 1.130 ( -2.424 1.768 0.711) 3.083 1.158 ( -1.173 1.411 0.033) 1.835 1.215 ( -0.143 -0.039 0.307) 0.341 1.236 ( -0.405 2.782 0.252) 2.822 1.260 ( 0.403 0.543 -1.584) 1.722 1.337 ( -0.882 1.846 1.036) 2.293 1.349 ( 0.573 -1.151 -0.990) 1.623 1.395 ( 1.149 1.430 0.058) 1.835 1.437 ( -0.638 -0.139 -0.178) 0.676 1.491 ( -2.511 -0.843 0.589) 2.714 1.586 ( -0.037 -3.754 0.493) 3.786 1.600 ( 0.370 -2.981 -1.243) 3.251 1.710 ( 2.629 -0.229 -1.362) 2.969 1.857 ( -0.364 -5.302 1.491) 5.520 1.945 ( -0.802 0.951 2.528) 2.817 1.996 ( 1.705 0.225 -1.684) 2.407 2.022 ( 1.848 -1.455 -0.683) 2.449 2.072 ( 4.111 -1.166 -1.776) 4.628 2.227 ( 2.394 -3.545 2.436) 4.923 2.297 ( 0.072 -2.076 -0.346) 2.106 2.330 ( 1.403 -1.948 -1.437) 2.798 2.405 ( 0.911 -7.765 8.399) 11.474 2.798 ( 1.229 2.003 -0.827) 2.491 2.814 ( -0.382 9.835 1.764) 9.999 2.964 ( -0.996 -1.029 -1.594) 2.142 3.216 ( -1.674 -9.619 1.934) 9.953 3.221 ( 0.644 7.428 -3.614) 8.286 3.614 ( -0.053 2.784 0.135) 2.787 3.732 ( -0.831 3.459 1.069) 3.714 3.857 ( -1.674 -0.713 -0.160) 1.827 3.934 ( 0.186 -0.710 -0.031) 0.735 3.976 ( 0.049 -9.549 -0.428) 9.559 4.120 ( -1.564 7.737 2.069) 8.160 4.151 ( 0.975 7.433 -1.689) 7.684 4.368 ( -0.221 6.807 3.626) 7.716 4.672 ( -5.614 -4.128 -2.826) 7.520 4.904 ( -1.246 3.146 -0.680) 3.451 5.024 ( -1.200 4.018 0.654) 4.244 5.067 ( 0.153 1.020 0.183) 1.047 5.342 ( -1.177 0.111 0.419) 1.254 5.388 ( -0.633 -3.544 -2.076) 4.156 5.495 ( 0.213 -4.075 0.186) 4.084 5.724 ( 1.145 7.513 -1.051) 7.672 5.927 ( -2.809 -1.892 -2.674) 4.315 6.096 ( 1.073 3.129 1.075) 3.479 6.308 ( -2.986 -0.911 -6.067) 6.823 6.462 ( 0.778 6.970 0.058) 7.014 6.726 ( -0.547 8.543 -0.247) 8.564 6.765 ( 0.635 4.884 -4.562) 6.713 6.997 ( 0.268 -2.020 0.568) 2.116 7.101 ( -1.192 -6.110 -0.391) 6.238 7.138 ( 1.269 -5.627 -0.468) 5.787 7.411 ( 0.591 16.371 -1.869) 16.488 7.725 ( -0.052 -0.378 0.928) 1.004 7.854 ( -0.995 -1.230 -0.204) 1.595 8.023 ( -16.528 -0.194 -3.213) 16.839 8.550 ( -0.574 0.007 1.926) 2.009 8.594 ( -4.609 9.870 -2.016) 11.078 8.977 ( -9.059 0.799 -2.943) 9.558 9.143 ( -0.495 1.740 -3.138) 3.622 9.315 ( -8.225 22.342 -8.276) 25.206 9.803 ( -4.409 11.465 -2.982) 12.641 9.890 ( -0.069 -5.129 -3.496) 6.208 10.044 ( -3.875 -6.746 3.219) 8.419 10.117 ( 0.860 -2.775 3.084) 4.237 10.243 ( -1.650 -4.589 -5.078) 7.040 10.364 ( 2.541 4.747 -6.405) 8.368 10.492 ( -8.829 5.921 17.008) 20.057 10.662 ( 0.413 -7.464 2.062) 7.755 10.849 ( -12.811 0.986 5.551) 13.997 11.198 ( -11.859 20.387 1.308) 23.622 11.355 ( -2.342 -0.329 1.474) 2.787 11.574 ( -0.087 -3.919 2.212) 4.501 11.694 ( -1.199 3.657 -1.154) 4.018 11.817 ( 2.017 2.152 -2.595) 3.929 12.043 ( 3.829 -13.989 1.044) 14.541 13.094 ( -10.858 3.729 8.319) 14.178 13.240 ( -5.151 0.777 -11.016) 12.185 14.259 ( 0.228 -0.547 0.038) 0.594 14.298 ( -5.526 -0.206 1.964) 5.868 14.439 ( -3.354 4.084 0.400) 5.299 14.626 ( 0.473 -3.609 0.734) 3.713 15.167 ( 6.431 13.517 -23.359) 27.744 15.554 ( 1.087 -2.523 -8.283) 8.727 16.097 ( -6.980 6.413 -7.499) 12.086 16.268 ( -4.538 -0.497 -2.924) 5.421 16.365 ( -7.065 12.898 -3.028) 15.015 16.845 ( -10.178 -6.555 9.636) 15.473 17.632 ( 0.369 2.142 0.868) 2.340 17.760 ( 1.772 -2.790 1.396) 3.588 18.135 ( 0.487 1.566 0.881) 1.862 18.188 ( 1.058 -0.353 1.237) 1.666 18.739 ( -0.763 1.049 -1.374) 1.890 18.846 ( -1.075 -2.688 1.880) 3.452 19.541 ( 8.920 -0.074 -2.075) 9.159 19.643 ( 6.755 -0.903 -1.159) 6.913 19.964 ( 0.858 1.539 1.228) 2.147 20.126 ( 8.464 -9.828 5.823) 14.217 20.538 ( -2.895 1.732 -1.069) 3.539 20.582 ( -2.271 -0.653 0.726) 2.473 ======================= Grid point 11 (8/87) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 8.353 1.571 -0.970) 8.555 0.521 ( 8.903 4.110 -2.738) 10.181 0.557 ( 1.191 0.151 6.290) 6.404 0.854 ( -0.713 -0.127 1.027) 1.257 0.878 ( 1.211 -1.722 0.072) 2.106 0.927 ( -0.088 -0.897 1.484) 1.736 0.982 ( -1.709 -0.040 -0.677) 1.838 1.002 ( -1.150 -4.148 -1.712) 4.633 1.097 ( -1.641 2.022 -0.107) 2.606 1.145 ( -0.358 0.905 0.458) 1.075 1.206 ( -1.030 0.875 0.473) 1.432 1.243 ( 1.217 2.974 -0.990) 3.362 1.264 ( 1.097 1.188 -1.083) 1.947 1.327 ( -1.225 3.328 0.646) 3.605 1.343 ( 0.315 -1.343 -1.149) 1.796 1.413 ( -1.168 0.223 0.612) 1.337 1.429 ( 1.881 0.536 -1.364) 2.385 1.448 ( -2.852 -1.051 1.704) 3.485 1.586 ( -0.807 -2.199 2.006) 3.084 1.609 ( 2.441 -3.770 -2.442) 5.112 1.741 ( 1.232 -0.378 0.209) 1.305 1.870 ( 0.051 -4.607 2.445) 5.216 1.957 ( -0.332 0.904 2.078) 2.290 1.987 ( -1.099 -0.517 -0.103) 1.219 2.073 ( 3.984 -0.560 -1.889) 4.445 2.135 ( 4.135 -1.455 -1.555) 4.651 2.270 ( 1.796 -3.932 -2.491) 4.989 2.308 ( 0.301 -2.210 2.036) 3.020 2.362 ( 2.621 -0.261 1.453) 3.009 2.480 ( 0.377 -7.268 6.712) 9.901 2.809 ( -0.401 0.809 1.354) 1.628 2.837 ( 2.331 10.628 -0.734) 10.906 2.931 ( -1.009 -3.662 -1.540) 4.098 3.198 ( -0.567 -10.364 -1.473) 10.483 3.204 ( -0.559 10.241 -0.298) 10.260 3.611 ( -0.270 2.920 -0.083) 2.933 3.724 ( -1.255 5.508 1.508) 5.846 3.833 ( -0.780 -1.381 0.073) 1.587 3.921 ( -1.405 -2.630 -0.093) 2.983 3.978 ( 0.685 -8.712 -1.260) 8.829 4.112 ( -1.259 7.364 2.070) 7.752 4.151 ( 0.720 7.127 -1.851) 7.399 4.393 ( -2.499 6.744 7.595) 10.460 4.542 ( -3.455 3.481 -6.792) 8.377 4.871 ( -1.667 2.521 -0.756) 3.115 5.009 ( -1.388 3.390 1.798) 4.081 5.066 ( -0.384 1.943 0.053) 1.981 5.329 ( -0.654 -3.297 0.348) 3.379 5.367 ( 0.016 -1.312 -2.110) 2.484 5.502 ( 0.177 -4.038 0.504) 4.073 5.730 ( 0.525 6.037 -0.784) 6.110 5.841 ( -3.670 1.106 -3.890) 5.462 6.115 ( 0.297 2.669 0.375) 2.712 6.182 ( -3.270 11.641 -9.378) 15.302 6.473 ( 0.137 7.348 0.547) 7.370 6.716 ( -0.353 9.089 -0.447) 9.107 6.734 ( 0.135 5.599 -3.820) 6.779 7.013 ( 0.824 -2.967 0.803) 3.182 7.077 ( -1.368 -6.036 0.581) 6.216 7.154 ( 0.833 -5.006 -0.850) 5.146 7.413 ( 1.772 13.914 -2.042) 14.174 7.690 ( -13.831 15.050 5.125) 21.073 7.742 ( -0.705 1.464 -0.334) 1.659 7.842 ( -1.589 -1.005 0.058) 1.881 8.492 ( -2.785 10.734 -3.631) 11.668 8.556 ( -1.269 0.826 2.876) 3.250 8.860 ( -2.590 -3.712 0.444) 4.548 9.073 ( -1.916 5.601 -3.902) 7.090 9.283 ( 1.100 5.323 2.130) 5.838 9.732 ( -2.786 8.803 -0.264) 9.237 9.839 ( -1.193 -4.944 -7.425) 9.000 10.009 ( -0.381 -6.842 -0.582) 6.878 10.137 ( -1.074 -3.481 1.464) 3.926 10.200 ( -1.572 -3.724 1.841) 4.442 10.351 ( 1.518 4.605 -4.454) 6.584 10.470 ( -7.335 -1.341 11.391) 13.614 10.687 ( 0.746 -9.548 -0.817) 9.612 10.719 ( -8.572 1.953 10.716) 13.861 11.031 ( -6.022 13.478 -4.943) 15.568 11.377 ( 1.317 1.084 2.569) 3.084 11.582 ( -1.826 -3.605 3.142) 5.119 11.677 ( 0.748 0.661 -1.538) 1.834 11.832 ( 2.246 2.647 -2.712) 4.405 12.055 ( -2.314 -11.577 1.001) 11.849 13.016 ( -3.271 0.167 3.264) 4.624 13.122 ( -1.652 -0.828 -5.532) 5.832 14.244 ( -2.238 1.083 1.179) 2.751 14.266 ( 0.434 -1.295 0.268) 1.392 14.410 ( -0.882 0.977 0.007) 1.316 14.644 ( 0.678 -5.970 1.197) 6.126 15.166 ( 8.253 7.700 -13.266) 17.418 15.485 ( -0.726 -2.319 -8.237) 8.588 15.987 ( -2.891 4.276 -0.947) 5.248 16.152 ( -5.084 -4.502 -4.451) 8.120 16.278 ( -3.947 11.026 2.451) 11.965 16.710 ( -9.488 -4.796 2.389) 10.897 17.650 ( 0.639 3.037 0.987) 3.256 17.811 ( 2.326 -3.432 1.768) 4.508 18.153 ( 0.653 2.251 0.924) 2.520 18.220 ( 1.342 -0.402 1.053) 1.752 18.717 ( -0.102 1.270 -2.336) 2.661 18.851 ( -0.338 -3.878 2.612) 4.687 19.651 ( 5.464 2.795 -1.354) 6.285 19.739 ( 5.283 1.544 -0.692) 5.547 19.996 ( 1.208 2.954 2.037) 3.786 20.264 ( 4.624 -8.513 1.379) 9.785 20.478 ( -2.919 1.490 -0.758) 3.364 20.535 ( -3.501 -1.005 0.588) 3.689 ======================= Grid point 12 (9/87) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 5.239 -3.111 -0.385) 6.105 0.608 ( 1.705 2.009 0.262) 2.648 0.635 ( 4.142 -5.677 1.752) 7.242 0.853 ( -0.346 -0.060 1.048) 1.105 0.891 ( -0.104 1.085 0.939) 1.438 0.933 ( -0.747 -2.460 1.333) 2.896 0.970 ( 0.988 -2.622 -0.864) 2.932 0.987 ( 0.505 -3.004 -0.119) 3.048 1.066 ( -1.475 1.508 -1.401) 2.533 1.150 ( 0.192 1.431 0.739) 1.622 1.190 ( -0.554 1.955 -0.689) 2.145 1.259 ( 1.163 2.209 -0.789) 2.618 1.279 ( 1.634 1.262 -1.111) 2.345 1.309 ( -0.904 2.451 0.475) 2.655 1.349 ( 0.247 -0.545 0.419) 0.731 1.386 ( -1.689 0.400 -0.072) 1.738 1.418 ( -0.795 -2.387 0.071) 2.517 1.465 ( 1.438 0.503 0.483) 1.598 1.596 ( 0.070 -1.186 1.786) 2.145 1.641 ( 2.709 -3.278 -1.349) 4.461 1.755 ( -0.126 -0.068 0.957) 0.968 1.896 ( 0.645 -3.244 2.484) 4.136 1.953 ( -1.041 -1.262 -0.100) 1.639 1.966 ( -1.402 0.132 0.483) 1.488 2.118 ( 2.221 -0.437 -0.657) 2.357 2.182 ( 2.363 -1.960 -1.114) 3.266 2.276 ( 1.626 -2.868 -2.289) 4.013 2.315 ( -0.485 -2.051 0.021) 2.108 2.427 ( 2.145 0.493 2.482) 3.317 2.526 ( 0.377 -4.709 3.335) 5.782 2.811 ( 0.069 0.358 -0.194) 0.413 2.855 ( 0.302 9.537 -1.232) 9.621 2.922 ( 0.561 -5.503 0.457) 5.551 3.177 ( -0.446 -9.058 -1.284) 9.159 3.196 ( -0.483 11.352 0.319) 11.366 3.605 ( -0.201 2.779 -0.147) 2.791 3.714 ( -0.976 7.541 1.128) 7.687 3.833 ( 0.555 -1.623 0.215) 1.729 3.891 ( -1.765 -3.480 -0.119) 3.903 3.977 ( 0.431 -8.762 -1.303) 8.868 4.109 ( -0.632 5.895 1.410) 6.094 4.148 ( 0.417 7.221 -1.433) 7.374 4.387 ( -4.490 6.711 6.836) 10.580 4.476 ( 1.560 6.604 -5.973) 9.040 4.840 ( -1.136 2.232 -0.563) 2.567 5.010 ( -0.486 2.949 2.588) 3.954 5.053 ( -0.731 2.753 -0.789) 2.956 5.322 ( -0.351 -6.490 0.030) 6.499 5.354 ( -0.003 0.227 -1.081) 1.105 5.505 ( -0.093 -4.473 0.187) 4.478 5.732 ( -0.070 4.259 -0.076) 4.260 5.756 ( -2.268 2.659 -3.049) 4.638 6.078 ( -0.589 15.559 -6.880) 17.023 6.114 ( -1.163 3.263 1.261) 3.686 6.475 ( -0.279 7.339 0.502) 7.361 6.707 ( -0.486 9.201 0.254) 9.218 6.716 ( 0.334 4.673 -1.984) 5.088 7.031 ( 0.616 -1.318 0.361) 1.499 7.065 ( -0.746 -7.608 0.825) 7.688 7.153 ( -0.057 -5.290 -0.707) 5.337 7.442 ( 2.854 11.777 -1.492) 12.209 7.557 ( -6.472 12.517 5.073) 14.977 7.748 ( 0.303 0.526 0.272) 0.666 7.819 ( -1.054 -1.512 0.075) 1.845 8.441 ( -0.661 4.814 -2.119) 5.301 8.554 ( -0.981 0.738 1.739) 2.129 8.847 ( -0.473 -7.100 1.169) 7.211 9.023 ( -1.212 3.891 -1.938) 4.513 9.319 ( 0.923 4.946 1.657) 5.297 9.696 ( -1.265 5.376 0.360) 5.534 9.753 ( -1.603 -5.838 -6.188) 8.657 10.018 ( 1.713 -5.093 -0.683) 5.417 10.107 ( -2.073 -5.658 -0.690) 6.065 10.219 ( -0.134 0.533 5.555) 5.582 10.347 ( 3.047 0.347 -7.085) 7.720 10.411 ( -7.812 -3.714 7.942) 11.743 10.643 ( -3.956 -4.495 3.636) 7.005 10.735 ( 0.085 -6.794 4.383) 8.085 10.914 ( -2.436 12.897 -5.540) 14.247 11.412 ( 0.432 -0.148 1.565) 1.631 11.567 ( -1.437 -1.027 1.658) 2.423 11.694 ( 1.518 -1.244 -0.389) 2.002 11.853 ( 2.353 2.313 -2.190) 3.960 12.007 ( -3.542 -7.285 1.075) 8.171 12.998 ( -0.852 -1.441 0.025) 1.674 13.085 ( -0.005 -3.777 -1.185) 3.959 14.225 ( -0.925 0.471 0.677) 1.239 14.276 ( 0.393 -1.793 0.098) 1.838 14.400 ( -0.309 0.202 0.090) 0.381 14.664 ( 0.513 -8.031 0.930) 8.101 15.206 ( 4.439 4.469 -5.665) 8.472 15.418 ( -0.696 -2.386 -4.802) 5.408 15.951 ( -1.140 2.549 0.038) 2.792 16.050 ( -2.890 -4.215 -2.764) 5.810 16.247 ( -1.837 9.265 2.096) 9.675 16.580 ( -6.000 -2.122 0.078) 6.365 17.666 ( 0.396 3.921 0.709) 4.004 17.859 ( 1.542 -4.065 1.105) 4.486 18.170 ( 0.469 2.812 0.563) 2.906 18.246 ( 0.828 -0.511 0.529) 1.108 18.700 ( 0.118 1.923 -1.640) 2.530 18.870 ( 0.258 -4.954 1.944) 5.328 19.714 ( 2.455 4.507 0.009) 5.132 19.809 ( 3.098 1.236 -0.611) 3.391 20.031 ( 1.136 4.512 1.116) 4.785 20.332 ( 2.946 -4.992 0.111) 5.798 20.427 ( -2.502 -0.614 -0.445) 2.614 20.480 ( -2.791 -1.269 0.239) 3.075 ======================= Grid point 13 (10/87) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 -6.014 0.000) 6.014 0.620 ( 0.000 2.752 0.000) 2.752 0.684 ( 0.000 -7.060 0.000) 7.060 0.854 ( 0.000 -0.770 0.000) 0.770 0.892 ( 0.000 0.909 0.000) 0.909 0.934 ( 0.000 -2.210 -0.000) 2.210 0.973 ( -0.000 -6.110 0.000) 6.110 1.016 ( -0.000 6.210 -0.000) 6.210 1.027 ( 0.000 -4.476 0.000) 4.476 1.157 ( 0.000 2.558 0.000) 2.558 1.180 ( 0.000 1.930 0.000) 1.930 1.265 ( 0.000 1.418 0.000) 1.418 1.297 ( 0.000 2.062 0.000) 2.062 1.302 ( 0.000 1.067 0.000) 1.067 1.353 ( -0.000 -0.238 0.000) 0.238 1.365 ( 0.000 -0.158 0.000) 0.158 1.414 ( 0.000 -2.287 0.000) 2.287 1.480 ( 0.000 0.323 0.000) 0.323 1.606 ( 0.000 -0.744 0.000) 0.744 1.665 ( 0.000 -2.815 0.000) 2.815 1.756 ( 0.000 -0.008 0.000) 0.008 1.925 ( 0.000 3.173 -0.000) 3.173 1.931 ( 0.000 -7.670 0.000) 7.670 1.951 ( 0.000 -0.162 0.000) 0.162 2.136 ( 0.000 -0.275 -0.000) 0.275 2.198 ( 0.000 -2.893 0.000) 2.893 2.292 ( -0.000 -0.609 0.000) 0.609 2.300 ( 0.000 -2.468 0.000) 2.468 2.458 ( 0.000 0.437 0.000) 0.437 2.544 ( 0.000 -3.794 0.000) 3.794 2.810 ( 0.000 0.113 0.000) 0.113 2.848 ( 0.000 6.852 0.000) 6.852 2.933 ( 0.000 -3.950 0.000) 3.950 3.167 ( 0.000 -8.714 0.000) 8.714 3.193 ( 0.000 12.374 0.000) 12.374 3.603 ( 0.000 2.592 0.000) 2.592 3.710 ( 0.000 8.349 0.000) 8.349 3.846 ( 0.000 -0.914 0.000) 0.914 3.868 ( 0.000 -4.194 0.000) 4.194 3.975 ( 0.000 -9.169 0.000) 9.169 4.110 ( 0.000 5.084 0.000) 5.084 4.145 ( 0.000 7.367 -0.000) 7.367 4.372 ( 0.000 6.822 0.000) 6.822 4.470 ( 0.000 7.002 0.000) 7.002 4.827 ( 0.000 2.181 0.000) 2.181 5.025 ( 0.000 3.139 0.000) 3.139 5.035 ( -0.000 2.899 -0.000) 2.899 5.318 ( 0.000 -7.824 0.000) 7.824 5.350 ( 0.000 0.974 0.000) 0.974 5.505 ( 0.000 -4.672 0.000) 4.672 5.718 ( 0.000 4.094 0.000) 4.094 5.734 ( 0.000 1.697 0.000) 1.697 6.048 ( 0.000 18.210 0.000) 18.210 6.107 ( 0.000 1.592 -0.000) 1.592 6.474 ( 0.000 7.192 0.000) 7.192 6.704 ( 0.000 9.714 0.000) 9.714 6.711 ( 0.000 3.906 -0.000) 3.906 7.038 ( 0.000 0.477 0.000) 0.477 7.062 ( 0.000 -8.932 0.000) 8.932 7.148 ( 0.000 -5.856 0.000) 5.856 7.470 ( 0.000 11.630 0.000) 11.630 7.518 ( 0.000 10.273 0.000) 10.273 7.752 ( 0.000 0.575 0.000) 0.575 7.810 ( 0.000 -1.541 0.000) 1.541 8.428 ( 0.000 2.722 0.000) 2.722 8.552 ( 0.000 0.811 0.000) 0.811 8.849 ( 0.000 -7.709 0.000) 7.709 9.003 ( 0.000 3.171 0.000) 3.171 9.334 ( 0.000 5.335 0.000) 5.335 9.696 ( 0.000 9.269 0.000) 9.269 9.703 ( 0.000 -11.537 -0.000) 11.537 10.042 ( 0.000 -2.271 0.000) 2.271 10.075 ( 0.000 -8.227 0.000) 8.227 10.256 ( 0.000 7.123 -0.000) 7.123 10.335 ( 0.000 -13.025 0.000) 13.025 10.366 ( 0.000 2.147 0.000) 2.147 10.623 ( 0.000 -4.235 0.000) 4.235 10.759 ( 0.000 -11.441 0.000) 11.441 10.866 ( 0.000 16.298 0.000) 16.298 11.420 ( 0.000 -1.849 0.000) 1.849 11.563 ( 0.000 0.905 -0.000) 0.905 11.708 ( 0.000 -1.380 0.000) 1.380 11.870 ( 0.000 1.947 0.000) 1.947 11.973 ( 0.000 -5.594 0.000) 5.594 12.989 ( 0.000 -1.138 0.000) 1.138 13.083 ( 0.000 -5.382 0.000) 5.382 14.220 ( 0.000 0.318 0.000) 0.318 14.280 ( 0.000 -1.959 0.000) 1.959 14.398 ( 0.000 0.067 0.000) 0.067 14.673 ( 0.000 -8.811 0.000) 8.811 15.223 ( 0.000 3.435 0.000) 3.435 15.392 ( 0.000 -2.436 0.000) 2.436 15.942 ( 0.000 2.111 -0.000) 2.111 16.013 ( 0.000 -3.698 0.000) 3.698 16.242 ( 0.000 8.387 0.000) 8.387 16.524 ( 0.000 -0.861 0.000) 0.861 17.673 ( 0.000 4.289 0.000) 4.289 17.877 ( 0.000 -4.326 0.000) 4.326 18.176 ( 0.000 3.016 0.000) 3.016 18.255 ( 0.000 -0.531 0.000) 0.531 18.695 ( 0.000 2.232 0.000) 2.232 18.882 ( 0.000 -5.411 0.000) 5.411 19.736 ( 0.000 5.037 0.000) 5.037 19.834 ( 0.000 0.921 0.000) 0.921 20.047 ( 0.000 5.198 0.000) 5.198 20.376 ( 0.000 1.576 0.000) 1.576 20.385 ( 0.000 -6.861 0.000) 6.861 20.455 ( 0.000 -1.409 0.000) 1.409 ======================= Grid point 18 (11/87) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 -11.589 0.000) 11.589 0.382 ( 0.000 11.589 0.000) 11.589 0.644 ( 0.000 -12.439 0.000) 12.439 0.644 ( 0.000 12.439 0.000) 12.439 0.965 ( 0.000 -1.289 0.000) 1.289 0.965 ( 0.000 1.289 0.000) 1.289 1.055 ( 0.000 -4.389 0.000) 4.389 1.055 ( 0.000 4.389 0.000) 4.389 1.178 ( 0.000 -0.553 0.000) 0.553 1.178 ( 0.000 0.553 0.000) 0.553 1.211 ( 0.000 -2.857 0.000) 2.857 1.211 ( 0.000 2.857 0.000) 2.857 1.328 ( 0.000 -3.156 0.000) 3.156 1.328 ( 0.000 3.156 0.000) 3.156 1.370 ( 0.000 -3.562 0.000) 3.562 1.370 ( 0.000 3.562 0.000) 3.562 1.457 ( 0.000 -5.175 0.000) 5.175 1.457 ( 0.000 5.175 0.000) 5.175 1.546 ( 0.000 -2.440 0.000) 2.440 1.546 ( 0.000 2.440 0.000) 2.440 1.741 ( 0.000 -4.181 0.000) 4.181 1.741 ( 0.000 4.181 0.000) 4.181 1.954 ( 0.000 -1.782 0.000) 1.782 1.954 ( 0.000 1.782 0.000) 1.782 2.026 ( 0.000 -1.963 0.000) 1.963 2.026 ( 0.000 1.963 0.000) 1.963 2.184 ( 0.000 -3.452 0.000) 3.452 2.184 ( 0.000 3.452 0.000) 3.452 2.310 ( 0.000 -0.639 0.000) 0.639 2.310 ( 0.000 0.639 0.000) 0.639 2.885 ( 0.000 -6.037 0.000) 6.037 2.885 ( 0.000 6.037 0.000) 6.037 3.018 ( 0.000 -8.985 0.000) 8.985 3.018 ( 0.000 8.985 0.000) 8.985 3.501 ( 0.000 -13.330 0.000) 13.330 3.501 ( 0.000 13.330 0.000) 13.330 3.789 ( 0.000 -3.717 0.000) 3.717 3.789 ( 0.000 3.717 0.000) 3.717 3.914 ( 0.000 -2.241 0.000) 2.241 3.914 ( 0.000 2.241 0.000) 2.241 4.241 ( 0.000 -1.491 0.000) 1.491 4.241 ( 0.000 1.491 0.000) 1.491 4.530 ( 0.000 -9.507 0.000) 9.507 4.530 ( 0.000 9.507 0.000) 9.507 5.003 ( 0.000 -5.394 0.000) 5.394 5.003 ( 0.000 5.394 0.000) 5.394 5.222 ( 0.000 -10.522 0.000) 10.522 5.222 ( 0.000 10.522 0.000) 10.522 5.410 ( 0.000 -3.239 0.000) 3.239 5.410 ( 0.000 3.239 0.000) 3.239 5.869 ( 0.000 -5.974 0.000) 5.974 5.869 ( 0.000 5.974 0.000) 5.974 6.188 ( 0.000 -7.346 0.000) 7.346 6.188 ( 0.000 7.346 0.000) 7.346 6.692 ( 0.000 -11.710 0.000) 11.710 6.692 ( 0.000 11.710 0.000) 11.710 6.939 ( 0.000 -10.666 0.000) 10.666 6.939 ( 0.000 10.666 0.000) 10.666 6.999 ( 0.000 -2.015 0.000) 2.015 6.999 ( 0.000 2.015 0.000) 2.015 7.720 ( 0.000 -4.182 0.000) 4.182 7.720 ( 0.000 4.182 0.000) 4.182 7.889 ( 0.000 -9.645 0.000) 9.645 7.889 ( 0.000 9.645 0.000) 9.645 8.591 ( 0.000 -4.005 0.000) 4.005 8.591 ( 0.000 4.005 0.000) 4.005 9.046 ( 0.000 -1.500 0.000) 1.500 9.046 ( 0.000 1.500 0.000) 1.500 9.821 ( 0.000 -8.007 0.000) 8.007 9.821 ( 0.000 8.007 0.000) 8.007 9.966 ( 0.000 -1.289 0.000) 1.289 9.966 ( 0.000 1.289 0.000) 1.289 10.095 ( 0.000 -6.631 0.000) 6.631 10.095 ( 0.000 6.631 0.000) 6.631 10.481 ( 0.000 -7.353 0.000) 7.353 10.481 ( 0.000 7.353 0.000) 7.353 10.806 ( 0.000 -11.921 0.000) 11.921 10.806 ( 0.000 11.921 0.000) 11.921 11.382 ( 0.000 -5.854 0.000) 5.854 11.382 ( 0.000 5.854 0.000) 5.854 11.769 ( 0.000 -2.769 0.000) 2.769 11.769 ( 0.000 2.769 0.000) 2.769 11.794 ( 0.000 -6.857 0.000) 6.857 11.794 ( 0.000 6.857 0.000) 6.857 13.253 ( 0.000 -5.899 0.000) 5.899 13.253 ( 0.000 5.899 0.000) 5.899 14.270 ( 0.000 -1.865 0.000) 1.865 14.270 ( 0.000 1.865 0.000) 1.865 14.560 ( 0.000 -2.815 0.000) 2.815 14.560 ( 0.000 2.815 0.000) 2.815 15.473 ( 0.000 -6.984 0.000) 6.984 15.473 ( 0.000 6.984 0.000) 6.984 16.277 ( 0.000 -3.425 0.000) 3.425 16.277 ( 0.000 3.425 0.000) 3.425 16.756 ( 0.000 -4.808 0.000) 4.808 16.756 ( 0.000 4.808 0.000) 4.808 17.677 ( 0.000 -2.923 0.000) 2.923 17.677 ( 0.000 2.923 0.000) 2.923 18.152 ( 0.000 -1.089 0.000) 1.089 18.152 ( 0.000 1.089 0.000) 1.089 18.802 ( 0.000 -2.316 0.000) 2.316 18.802 ( 0.000 2.316 0.000) 2.316 19.475 ( 0.000 -4.613 0.000) 4.613 19.475 ( 0.000 4.613 0.000) 4.613 19.972 ( 0.000 -0.408 0.000) 0.408 19.972 ( 0.000 0.408 0.000) 0.408 20.587 ( 0.000 -0.619 0.000) 0.619 20.587 ( 0.000 0.619 0.000) 0.619 ======================= Grid point 20 (12/87) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 1.541 -9.790 -0.094) 9.911 0.397 ( 1.541 9.790 -0.094) 9.911 0.672 ( 4.476 -12.172 -3.036) 13.319 0.672 ( 4.476 12.172 -3.036) 13.319 0.938 ( -1.847 -2.502 -1.344) 3.388 0.938 ( -1.847 2.502 -1.344) 3.388 1.021 ( -3.748 -1.722 0.835) 4.209 1.021 ( -3.748 1.722 0.835) 4.209 1.175 ( -0.868 -1.925 0.158) 2.118 1.175 ( -0.868 1.925 0.158) 2.118 1.226 ( 0.724 -3.290 1.724) 3.785 1.226 ( 0.724 3.290 1.724) 3.785 1.313 ( -0.522 -3.279 -0.545) 3.364 1.313 ( -0.522 3.279 -0.545) 3.364 1.368 ( -0.624 -2.520 0.485) 2.641 1.368 ( -0.624 2.520 0.485) 2.641 1.460 ( 0.046 -3.748 -0.015) 3.749 1.460 ( 0.046 3.748 -0.015) 3.749 1.543 ( -0.091 -1.597 -0.376) 1.643 1.543 ( -0.091 1.597 -0.376) 1.643 1.749 ( 0.730 -3.787 0.593) 3.902 1.749 ( 0.730 3.787 0.593) 3.902 1.975 ( 0.987 -1.875 0.591) 2.200 1.975 ( 0.987 1.875 0.591) 2.200 2.034 ( 3.135 -2.464 -3.083) 5.040 2.034 ( 3.135 2.464 -3.083) 5.040 2.218 ( 1.266 -2.917 3.451) 4.693 2.218 ( 1.266 2.917 3.451) 4.693 2.323 ( 1.261 -1.401 1.311) 2.296 2.323 ( 1.261 1.401 1.311) 2.296 2.877 ( -0.455 -5.034 -1.106) 5.174 2.877 ( -0.455 5.034 -1.106) 5.174 3.016 ( -0.154 -8.529 0.166) 8.532 3.016 ( -0.154 8.529 0.166) 8.532 3.500 ( -0.070 -13.655 0.217) 13.657 3.500 ( -0.070 13.655 0.217) 13.657 3.788 ( -0.462 -3.207 0.714) 3.318 3.788 ( -0.462 3.207 0.714) 3.318 3.901 ( -0.682 -2.219 -1.496) 2.762 3.901 ( -0.682 2.219 -1.496) 2.762 4.247 ( -0.353 -1.888 1.976) 2.755 4.247 ( -0.353 1.888 1.976) 2.755 4.513 ( -1.821 -7.909 0.036) 8.116 4.513 ( -1.821 7.909 0.036) 8.116 4.996 ( -0.895 -6.004 0.508) 6.092 4.996 ( -0.895 6.004 0.508) 6.092 5.208 ( -0.333 -9.539 -2.373) 9.835 5.208 ( -0.333 9.539 -2.373) 9.835 5.413 ( 0.045 -3.284 0.494) 3.321 5.413 ( 0.045 3.284 0.494) 3.321 5.854 ( -0.906 -4.806 -1.545) 5.129 5.854 ( -0.906 4.806 -1.545) 5.129 6.190 ( -0.098 -6.330 0.363) 6.341 6.190 ( -0.098 6.330 0.363) 6.341 6.689 ( 0.022 -11.587 -0.405) 11.595 6.689 ( 0.022 11.587 -0.405) 11.595 6.939 ( -0.307 -10.303 0.564) 10.323 6.939 ( -0.307 10.303 0.564) 10.323 7.003 ( 0.892 -1.335 -1.016) 1.900 7.003 ( 0.892 1.335 -1.016) 1.900 7.716 ( 0.379 -6.253 -2.079) 6.601 7.716 ( 0.379 6.253 -2.079) 6.601 7.855 ( -3.686 -6.289 0.843) 7.338 7.855 ( -3.686 6.289 0.843) 7.338 8.593 ( -0.301 -3.933 1.190) 4.120 8.593 ( -0.301 3.933 1.190) 4.120 9.052 ( -0.182 -6.825 0.591) 6.853 9.052 ( -0.182 6.825 0.591) 6.853 9.753 ( -4.018 -12.914 -8.995) 16.243 9.753 ( -4.018 12.914 -8.995) 16.243 9.927 ( -1.118 -2.674 -4.486) 5.340 9.927 ( -1.118 2.674 -4.486) 5.340 10.100 ( -2.352 -3.282 5.726) 7.007 10.100 ( -2.352 3.282 5.726) 7.007 10.483 ( 1.353 -7.226 -2.647) 7.813 10.483 ( 1.353 7.226 -2.647) 7.813 10.739 ( -9.545 -10.344 6.146) 15.358 10.739 ( -9.545 10.344 6.146) 15.358 11.394 ( -1.387 -3.267 3.152) 4.747 11.394 ( -1.387 3.267 3.152) 4.747 11.646 ( -7.749 -10.479 -0.610) 13.048 11.646 ( -7.749 10.479 -0.610) 13.048 11.849 ( 4.109 -2.598 -3.404) 5.935 11.849 ( 4.109 2.598 -3.404) 5.935 13.174 ( -7.509 -4.441 0.629) 8.747 13.174 ( -7.509 4.441 0.629) 8.747 14.260 ( -1.402 -1.093 1.004) 2.041 14.260 ( -1.402 1.093 1.004) 2.041 14.541 ( -2.443 -4.517 1.264) 5.289 14.541 ( -2.443 4.517 1.264) 5.289 15.429 ( 1.130 -9.610 -11.811) 15.269 15.429 ( 1.130 9.610 -11.811) 15.269 16.193 ( -5.608 -4.286 -5.536) 8.971 16.193 ( -5.608 4.286 -5.536) 8.971 16.656 ( -8.197 -11.487 0.567) 14.124 16.656 ( -8.197 11.487 0.567) 14.124 17.692 ( 1.024 -3.297 1.432) 3.738 17.692 ( 1.024 3.297 1.432) 3.738 18.169 ( 0.952 -1.400 1.314) 2.143 18.169 ( 0.952 1.400 1.314) 2.143 18.782 ( -1.633 -2.865 0.498) 3.336 18.782 ( -1.633 2.865 0.498) 3.336 19.585 ( 9.245 -3.395 0.048) 9.849 19.585 ( 9.245 3.395 0.048) 9.849 20.011 ( 3.055 -2.999 2.561) 4.989 20.011 ( 3.055 2.999 2.561) 4.989 20.564 ( -2.429 -1.004 -0.084) 2.630 20.564 ( -2.429 1.004 -0.084) 2.630 ======================= Grid point 22 (13/87) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 2.579 -6.231 0.177) 6.746 0.433 ( 2.579 6.231 0.177) 6.746 0.733 ( 5.148 -11.365 -4.382) 13.224 0.733 ( 5.148 11.365 -4.382) 13.224 0.903 ( -1.043 -2.250 -0.430) 2.517 0.903 ( -1.043 2.250 -0.430) 2.517 0.962 ( -3.653 -1.018 1.915) 4.248 0.962 ( -3.653 1.018 1.915) 4.248 1.161 ( -0.365 -0.509 -0.085) 0.632 1.161 ( -0.365 0.509 -0.085) 0.632 1.243 ( -0.191 -4.163 0.442) 4.191 1.243 ( -0.191 4.163 0.442) 4.191 1.307 ( 0.232 -2.672 -0.898) 2.828 1.307 ( 0.232 2.672 -0.898) 2.828 1.364 ( -0.547 -1.295 1.043) 1.750 1.364 ( -0.547 1.295 1.043) 1.750 1.453 ( -0.566 -0.912 0.093) 1.077 1.453 ( -0.566 0.912 0.093) 1.077 1.548 ( 1.047 -0.424 0.215) 1.150 1.548 ( 1.047 0.424 0.215) 1.150 1.771 ( 0.480 -3.373 1.755) 3.832 1.771 ( 0.480 3.373 1.755) 3.832 1.981 ( -0.253 -0.646 0.242) 0.735 1.981 ( -0.253 0.646 0.242) 0.735 2.083 ( 4.464 -2.213 -3.447) 6.059 2.083 ( 4.464 2.213 -3.447) 6.059 2.255 ( 0.395 -2.142 2.426) 3.261 2.255 ( 0.395 2.142 2.426) 3.261 2.382 ( 3.030 -2.389 3.079) 4.936 2.382 ( 3.030 2.389 3.079) 4.936 2.853 ( -0.775 -3.029 -1.903) 3.660 2.853 ( -0.775 3.029 -1.903) 3.660 3.018 ( 0.161 -7.225 0.347) 7.235 3.018 ( 0.161 7.225 0.347) 7.235 3.504 ( 0.135 -14.178 0.685) 14.195 3.504 ( 0.135 14.178 0.685) 14.195 3.787 ( -0.583 -1.832 1.375) 2.364 3.787 ( -0.583 1.832 1.375) 2.364 3.871 ( -0.793 -2.716 -2.560) 3.816 3.871 ( -0.793 2.716 -2.560) 3.816 4.253 ( -1.099 -2.415 2.576) 3.698 4.253 ( -1.099 2.415 2.576) 3.698 4.477 ( -1.919 -4.844 -0.150) 5.213 4.477 ( -1.919 4.844 -0.150) 5.213 4.984 ( -0.714 -7.088 0.214) 7.127 4.984 ( -0.714 7.088 0.214) 7.127 5.180 ( -0.741 -8.343 -1.868) 8.581 5.180 ( -0.741 8.343 -1.868) 8.581 5.415 ( -0.273 -3.694 0.357) 3.722 5.415 ( -0.273 3.694 0.357) 3.722 5.817 ( -1.448 -2.695 -2.458) 3.924 5.817 ( -1.448 2.695 -2.458) 3.924 6.184 ( -0.766 -4.632 -0.058) 4.695 6.184 ( -0.766 4.632 -0.058) 4.695 6.689 ( 0.429 -11.429 -0.493) 11.448 6.689 ( 0.429 11.429 -0.493) 11.448 6.939 ( -0.120 -10.367 0.440) 10.377 6.939 ( -0.120 10.367 0.440) 10.377 7.010 ( 0.804 -3.992 -1.006) 4.195 7.010 ( 0.804 3.992 -1.006) 4.195 7.698 ( 0.038 -8.934 -3.169) 9.479 7.698 ( 0.038 8.934 -3.169) 9.479 7.800 ( -3.644 -3.034 2.559) 5.388 7.800 ( -3.644 3.034 2.559) 5.388 8.597 ( -0.592 -3.749 1.679) 4.150 8.597 ( -0.592 3.749 1.679) 4.150 9.021 ( -3.619 -12.746 -1.542) 13.340 9.021 ( -3.619 12.746 -1.542) 13.340 9.577 ( -5.337 -17.602 -9.195) 20.564 9.577 ( -5.337 17.602 -9.195) 20.564 9.885 ( -0.247 -4.376 -2.780) 5.190 9.885 ( -0.247 4.376 -2.780) 5.190 10.102 ( -2.538 -2.809 5.611) 6.769 10.102 ( -2.538 2.809 5.611) 6.769 10.481 ( 1.378 -7.933 -4.053) 9.014 10.481 ( 1.378 7.933 -4.053) 9.014 10.615 ( -10.275 -9.191 8.347) 16.116 10.615 ( -10.275 9.191 8.347) 16.116 11.332 ( -6.457 -10.723 0.963) 12.554 11.332 ( -6.457 10.723 0.963) 12.554 11.586 ( 0.811 -7.899 0.291) 7.946 11.586 ( 0.811 7.899 0.291) 7.946 11.884 ( 2.277 -3.263 -1.824) 4.377 11.884 ( 2.277 3.263 -1.824) 4.377 13.062 ( -5.082 -3.495 0.626) 6.200 13.062 ( -5.082 3.495 0.626) 6.200 14.245 ( -1.134 -0.267 1.168) 1.649 14.245 ( -1.134 0.267 1.168) 1.649 14.507 ( -2.099 -6.668 0.829) 7.039 14.507 ( -2.099 6.668 0.829) 7.039 15.360 ( 2.601 -9.030 -12.507) 15.643 15.360 ( 2.601 9.030 -12.507) 15.643 16.061 ( -4.466 -3.659 -3.375) 6.688 16.061 ( -4.466 3.659 -3.375) 6.688 16.539 ( -6.337 -11.293 1.807) 13.075 16.539 ( -6.337 11.293 1.807) 13.075 17.728 ( 1.462 -4.112 1.710) 4.687 17.728 ( 1.462 4.112 1.710) 4.687 18.198 ( 1.098 -1.692 1.174) 2.334 18.198 ( 1.098 1.692 1.174) 2.334 18.767 ( -0.544 -3.492 0.361) 3.553 18.767 ( -0.544 3.492 0.361) 3.553 19.722 ( 6.073 -3.004 -0.139) 6.777 19.722 ( 6.073 3.004 -0.139) 6.777 20.098 ( 4.203 -6.588 1.915) 8.046 20.098 ( 4.203 6.588 1.915) 8.046 20.509 ( -3.595 -1.416 -0.100) 3.865 20.509 ( -3.595 1.416 -0.100) 3.865 ======================= Grid point 24 (14/87) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 2.614 -4.865 0.411) 5.538 0.485 ( 2.614 4.865 0.411) 5.538 0.766 ( 2.243 -10.285 -3.381) 11.056 0.766 ( 2.243 10.285 -3.381) 11.056 0.889 ( -0.442 -2.367 -0.263) 2.423 0.889 ( -0.442 2.367 -0.263) 2.423 0.938 ( -1.175 -1.944 2.489) 3.370 0.938 ( -1.175 1.944 2.489) 3.370 1.164 ( 0.450 -2.212 0.288) 2.276 1.164 ( 0.450 2.212 0.288) 2.276 1.227 ( -0.918 -4.354 -0.972) 4.555 1.227 ( -0.918 4.354 -0.972) 4.555 1.308 ( 0.436 -1.619 -0.363) 1.716 1.308 ( 0.436 1.619 -0.363) 1.716 1.356 ( -0.664 -1.198 -0.105) 1.374 1.356 ( -0.664 1.198 -0.105) 1.374 1.455 ( 0.336 -3.003 0.432) 3.052 1.455 ( 0.336 3.003 0.432) 3.052 1.579 ( 1.520 -0.773 0.926) 1.940 1.579 ( 1.520 0.773 0.926) 1.940 1.789 ( 0.009 -3.705 1.595) 4.034 1.789 ( 0.009 3.705 1.595) 4.034 1.974 ( -0.649 -0.720 0.012) 0.969 1.974 ( -0.649 0.720 0.012) 0.969 2.120 ( 2.402 -1.760 -2.214) 3.711 2.120 ( 2.402 1.760 -2.214) 3.711 2.279 ( 0.593 -1.640 1.292) 2.170 2.279 ( 0.593 1.640 1.292) 2.170 2.453 ( 2.154 -2.126 2.183) 3.732 2.453 ( 2.154 2.126 2.183) 3.732 2.825 ( -0.612 -1.828 -1.639) 2.530 2.825 ( -0.612 1.828 -1.639) 2.530 3.026 ( 0.314 -5.914 0.274) 5.928 3.026 ( 0.314 5.914 0.274) 5.928 3.514 ( 0.209 -14.365 0.821) 14.390 3.514 ( 0.209 14.365 0.821) 14.390 3.789 ( -0.613 -0.843 1.757) 2.043 3.789 ( -0.613 0.843 1.757) 2.043 3.839 ( -0.278 -3.518 -2.774) 4.489 3.839 ( -0.278 3.518 -2.774) 4.489 4.250 ( -1.111 -2.484 1.764) 3.243 4.250 ( -1.111 2.484 1.764) 3.243 4.450 ( -0.936 -4.481 -0.323) 4.589 4.450 ( -0.936 4.481 -0.323) 4.589 4.977 ( -0.132 -8.179 -0.035) 8.180 4.977 ( -0.132 8.179 -0.035) 8.180 5.157 ( -0.699 -7.544 -0.472) 7.591 5.157 ( -0.699 7.544 -0.472) 7.591 5.412 ( -0.314 -3.905 0.206) 3.923 5.412 ( -0.314 3.905 0.206) 3.923 5.771 ( -1.390 -0.826 -2.194) 2.726 5.771 ( -1.390 0.826 -2.194) 2.726 6.168 ( -0.747 -3.430 -0.217) 3.517 6.168 ( -0.747 3.430 -0.217) 3.517 6.695 ( 0.475 -11.198 -0.296) 11.212 6.695 ( 0.475 11.198 -0.296) 11.212 6.941 ( 0.040 -10.926 0.143) 10.927 6.941 ( 0.040 10.926 0.143) 10.927 7.014 ( 0.322 -4.251 -0.458) 4.287 7.014 ( 0.322 4.251 -0.458) 4.287 7.675 ( -0.337 -5.821 -1.447) 6.008 7.675 ( -0.337 5.821 -1.447) 6.008 7.773 ( -1.532 -2.812 1.678) 3.615 7.773 ( -1.532 2.812 1.678) 3.615 8.598 ( -0.605 -2.697 1.182) 3.006 8.598 ( -0.605 2.697 1.182) 3.006 8.918 ( -4.542 -17.773 -2.899) 18.572 8.918 ( -4.542 17.773 -2.899) 18.572 9.470 ( -1.703 -10.512 -2.926) 11.044 9.470 ( -1.703 10.512 -2.926) 11.044 9.871 ( 0.495 -7.733 -1.619) 7.916 9.871 ( 0.495 7.733 -1.619) 7.916 10.104 ( -1.487 -6.034 3.753) 7.260 10.104 ( -1.487 6.034 3.753) 7.260 10.469 ( 0.636 -9.629 -3.055) 10.122 10.469 ( 0.636 9.629 -3.055) 10.122 10.527 ( -5.634 -9.879 4.721) 12.313 10.527 ( -5.634 9.879 4.721) 12.313 11.247 ( -3.316 -15.113 0.119) 15.473 11.247 ( -3.316 15.113 0.119) 15.473 11.621 ( 1.674 -5.545 0.801) 5.847 11.621 ( 1.674 5.545 0.801) 5.847 11.899 ( 0.691 -2.593 -0.684) 2.769 11.899 ( 0.691 2.593 -0.684) 2.769 13.008 ( -1.825 -2.524 0.234) 3.123 13.008 ( -1.825 2.524 0.234) 3.123 14.239 ( -0.508 -1.226 0.703) 1.502 14.239 ( -0.508 1.226 0.703) 1.502 14.486 ( -0.884 -7.513 0.317) 7.572 14.486 ( -0.884 7.513 0.317) 7.572 15.323 ( 1.843 -5.920 -6.739) 9.157 15.323 ( 1.843 5.920 -6.739) 9.157 15.989 ( -1.884 -1.743 -1.294) 2.874 15.989 ( -1.884 1.743 -1.294) 2.874 16.461 ( -3.760 -8.960 1.100) 9.779 16.461 ( -3.760 8.960 1.100) 9.779 17.763 ( 0.989 -4.805 1.072) 5.022 17.763 ( 0.989 4.805 1.072) 5.022 18.222 ( 0.713 -1.860 0.628) 2.089 18.222 ( 0.713 1.860 0.628) 2.089 18.766 ( 0.073 -4.307 0.233) 4.314 18.766 ( 0.073 4.307 0.233) 4.314 19.798 ( 2.706 -2.608 0.249) 3.766 19.798 ( 2.706 2.608 0.249) 3.766 20.174 ( 3.153 -8.308 0.481) 8.899 20.174 ( 3.153 8.308 0.481) 8.899 20.447 ( -3.048 -1.667 -0.061) 3.475 20.447 ( -3.048 1.667 -0.061) 3.475 ======================= Grid point 26 (15/87) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 -5.875 0.000) 5.875 0.512 ( 0.000 5.875 0.000) 5.875 0.770 ( 0.000 -9.480 -0.000) 9.480 0.770 ( 0.000 9.480 0.000) 9.480 0.884 ( 0.000 -2.365 0.000) 2.365 0.884 ( 0.000 2.365 0.000) 2.365 0.941 ( 0.000 -2.834 0.000) 2.834 0.941 ( 0.000 2.834 0.000) 2.834 1.171 ( 0.000 -5.447 0.000) 5.447 1.171 ( 0.000 5.447 0.000) 5.447 1.212 ( 0.000 -3.822 0.000) 3.822 1.212 ( 0.000 3.822 0.000) 3.822 1.310 ( 0.000 -1.194 0.000) 1.194 1.310 ( 0.000 1.194 0.000) 1.194 1.349 ( 0.000 -0.981 0.000) 0.981 1.349 ( 0.000 0.981 -0.000) 0.981 1.460 ( 0.000 -3.512 0.000) 3.512 1.460 ( 0.000 3.512 0.000) 3.512 1.599 ( 0.000 -1.246 0.000) 1.246 1.599 ( 0.000 1.246 0.000) 1.246 1.796 ( 0.000 -4.083 0.000) 4.083 1.796 ( 0.000 4.083 0.000) 4.083 1.966 ( -0.000 -0.074 0.000) 0.074 1.966 ( 0.000 0.074 0.000) 0.074 2.132 ( 0.000 -1.336 0.000) 1.336 2.132 ( 0.000 1.336 0.000) 1.336 2.290 ( 0.000 -0.220 0.000) 0.220 2.290 ( 0.000 0.220 0.000) 0.220 2.482 ( 0.000 -1.892 0.000) 1.892 2.482 ( 0.000 1.892 0.000) 1.892 2.812 ( 0.000 -1.373 0.000) 1.373 2.812 ( 0.000 1.373 0.000) 1.373 3.030 ( 0.000 -5.360 0.000) 5.360 3.030 ( 0.000 5.360 -0.000) 5.360 3.520 ( 0.000 -14.349 0.000) 14.349 3.520 ( 0.000 14.349 0.000) 14.349 3.791 ( 0.000 -1.207 0.000) 1.207 3.791 ( 0.000 1.207 0.000) 1.207 3.824 ( 0.000 -3.658 0.000) 3.658 3.824 ( 0.000 3.658 -0.000) 3.658 4.247 ( 0.000 -2.249 0.000) 2.249 4.247 ( 0.000 2.249 0.000) 2.249 4.440 ( 0.000 -4.974 0.000) 4.974 4.440 ( 0.000 4.974 0.000) 4.974 4.976 ( 0.000 -8.788 0.000) 8.788 4.976 ( 0.000 8.788 0.000) 8.788 5.149 ( 0.000 -7.214 0.000) 7.214 5.149 ( 0.000 7.214 0.000) 7.214 5.409 ( 0.000 -3.910 0.000) 3.910 5.409 ( 0.000 3.910 0.000) 3.910 5.747 ( 0.000 -0.052 0.000) 0.052 5.747 ( 0.000 0.052 0.000) 0.052 6.160 ( 0.000 -2.758 0.000) 2.758 6.160 ( 0.000 2.758 0.000) 2.758 6.698 ( 0.000 -11.030 0.000) 11.030 6.698 ( 0.000 11.030 0.000) 11.030 6.942 ( 0.000 -11.150 0.000) 11.150 6.942 ( 0.000 11.150 0.000) 11.150 7.015 ( 0.000 -2.750 0.000) 2.750 7.015 ( 0.000 2.750 0.000) 2.750 7.667 ( 0.000 -2.896 -0.000) 2.896 7.667 ( 0.000 2.896 0.000) 2.896 7.767 ( 0.000 -1.895 0.000) 1.895 7.767 ( 0.000 1.895 0.000) 1.895 8.597 ( 0.000 -0.767 0.000) 0.767 8.597 ( 0.000 0.767 0.000) 0.767 8.862 ( 0.000 -18.082 0.000) 18.082 8.862 ( 0.000 18.082 0.000) 18.082 9.447 ( 0.000 -6.126 0.000) 6.126 9.447 ( 0.000 6.126 0.000) 6.126 9.870 ( 0.000 -9.145 0.000) 9.145 9.870 ( 0.000 9.145 0.000) 9.145 10.107 ( 0.000 -7.979 0.000) 7.979 10.107 ( 0.000 7.979 -0.000) 7.979 10.461 ( 0.000 -11.253 -0.000) 11.253 10.461 ( 0.000 11.253 0.000) 11.253 10.497 ( 0.000 -9.652 0.000) 9.652 10.497 ( 0.000 9.652 0.000) 9.652 11.219 ( 0.000 -15.653 0.000) 15.653 11.219 ( 0.000 15.653 0.000) 15.653 11.640 ( 0.000 -4.997 0.000) 4.997 11.640 ( 0.000 4.997 0.000) 4.997 11.901 ( 0.000 -1.481 0.000) 1.481 11.901 ( 0.000 1.481 0.000) 1.481 12.994 ( 0.000 -2.136 0.000) 2.136 12.994 ( 0.000 2.136 0.000) 2.136 14.238 ( 0.000 -1.564 0.000) 1.564 14.238 ( 0.000 1.564 0.000) 1.564 14.480 ( 0.000 -7.689 0.000) 7.689 14.480 ( 0.000 7.689 0.000) 7.689 15.313 ( 0.000 -4.602 0.000) 4.602 15.313 ( 0.000 4.602 0.000) 4.602 15.968 ( 0.000 -0.976 0.000) 0.976 15.968 ( 0.000 0.976 0.000) 0.976 16.432 ( 0.000 -7.732 0.000) 7.732 16.432 ( 0.000 7.732 0.000) 7.732 17.776 ( 0.000 -5.069 0.000) 5.069 17.776 ( 0.000 5.069 0.000) 5.069 18.231 ( 0.000 -1.896 0.000) 1.896 18.231 ( 0.000 1.896 0.000) 1.896 18.769 ( 0.000 -4.709 0.000) 4.709 18.769 ( 0.000 4.709 0.000) 4.709 19.822 ( 0.000 -2.442 0.000) 2.442 19.822 ( 0.000 2.442 0.000) 2.442 20.206 ( 0.000 -9.081 0.000) 9.081 20.206 ( 0.000 9.081 0.000) 9.081 20.416 ( 0.000 -2.079 0.000) 2.079 20.416 ( -0.000 2.079 0.000) 2.079 ======================= Grid point 45 (16/87) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( -0.708 0.000 12.099) 12.119 0.308 ( -1.297 0.000 15.904) 15.957 0.369 ( -6.259 0.000 18.382) 19.419 0.911 ( 1.296 0.000 0.577) 1.419 0.945 ( -2.271 0.000 0.694) 2.374 0.975 ( 0.891 0.000 0.027) 0.891 1.001 ( 0.184 0.000 1.708) 1.718 1.105 ( 0.804 0.000 -1.933) 2.093 1.110 ( -0.774 0.000 -0.259) 0.816 1.143 ( 0.392 0.000 1.345) 1.401 1.170 ( -0.745 0.000 -1.835) 1.980 1.178 ( -1.561 0.000 0.447) 1.624 1.218 ( -0.241 0.000 -0.419) 0.484 1.294 ( 0.506 0.000 -0.878) 1.013 1.363 ( 0.123 0.000 0.977) 0.985 1.369 ( -0.028 0.000 -0.166) 0.169 1.433 ( -0.685 0.000 0.850) 1.092 1.530 ( 0.154 0.000 -3.739) 3.742 1.593 ( 0.421 0.000 1.270) 1.338 1.657 ( -0.328 0.000 -0.664) 0.741 1.721 ( -4.763 0.000 1.809) 5.095 1.844 ( 2.722 0.000 -5.081) 5.764 1.904 ( 5.448 0.000 -3.245) 6.341 2.010 ( -1.725 0.000 1.893) 2.561 2.013 ( 0.856 0.000 -0.371) 0.933 2.102 ( -2.725 0.000 3.577) 4.497 2.291 ( 0.099 0.000 -1.405) 1.408 2.316 ( 2.143 0.000 1.710) 2.742 2.321 ( -0.319 0.000 -0.661) 0.734 2.617 ( -1.164 0.000 -0.406) 1.233 2.728 ( 16.338 0.000 -5.630) 17.280 2.924 ( -3.657 0.000 9.271) 9.966 2.946 ( -2.263 0.000 1.727) 2.847 3.214 ( -0.667 0.000 1.666) 1.795 3.510 ( 0.651 0.000 -2.228) 2.321 3.567 ( 0.598 0.000 0.071) 0.603 3.665 ( -2.458 0.000 1.750) 3.017 3.827 ( 1.067 0.000 -4.908) 5.023 3.888 ( 1.915 0.000 -1.035) 2.176 3.986 ( 0.554 0.000 0.346) 0.653 4.011 ( 1.135 0.000 -2.228) 2.500 4.117 ( 3.059 0.000 -3.422) 4.590 4.418 ( -4.299 0.000 9.493) 10.421 4.565 ( -15.263 0.000 3.090) 15.572 4.882 ( -0.848 0.000 2.913) 3.034 5.034 ( -0.125 0.000 0.413) 0.432 5.062 ( -0.264 0.000 3.292) 3.303 5.361 ( -0.887 0.000 2.209) 2.380 5.429 ( 2.255 0.000 -5.047) 5.528 5.496 ( -0.196 0.000 1.684) 1.696 5.524 ( 0.931 0.000 -1.766) 1.996 5.729 ( -17.443 0.000 0.942) 17.469 5.912 ( 2.179 0.000 -8.361) 8.640 6.080 ( -5.874 0.000 0.624) 5.907 6.496 ( -2.187 0.000 7.822) 8.122 6.609 ( -0.139 0.000 -2.058) 2.063 6.711 ( -0.494 0.000 1.363) 1.450 7.018 ( 1.867 0.000 -2.860) 3.416 7.129 ( 2.105 0.000 -2.929) 3.607 7.143 ( 0.337 0.000 -1.358) 1.399 7.322 ( 0.526 0.000 -0.613) 0.808 7.674 ( 2.191 0.000 -6.039) 6.424 7.929 ( -2.260 0.000 5.207) 5.677 8.113 ( -14.020 0.000 5.248) 14.970 8.345 ( -0.695 0.000 -5.196) 5.242 8.857 ( 1.205 0.000 -2.624) 2.887 8.868 ( -10.630 0.000 14.037) 17.608 9.111 ( -1.873 0.000 2.956) 3.500 9.226 ( 0.664 0.000 0.349) 0.750 9.575 ( 0.339 0.000 -0.738) 0.812 9.965 ( -1.170 0.000 -9.691) 9.761 10.038 ( 8.979 0.000 -6.584) 11.134 10.070 ( -0.901 0.000 -0.658) 1.116 10.174 ( 2.496 0.000 -8.270) 8.638 10.360 ( 1.663 0.000 6.523) 6.732 10.568 ( 8.815 0.000 -7.932) 11.858 10.874 ( -6.160 0.000 7.910) 10.025 11.075 ( -3.250 0.000 8.470) 9.072 11.310 ( 2.506 0.000 -1.456) 2.898 11.381 ( 1.063 0.000 -0.851) 1.362 11.592 ( 41.838 0.000 -0.687) 41.844 11.683 ( -1.614 0.000 3.179) 3.565 11.753 ( -5.154 0.000 -3.321) 6.131 11.794 ( -8.047 0.000 0.746) 8.081 12.939 ( 0.297 0.000 1.741) 1.767 13.661 ( -11.064 0.000 -7.708) 13.484 14.226 ( 0.205 0.000 2.096) 2.106 14.273 ( -0.929 0.000 1.387) 1.669 14.448 ( 0.932 0.000 0.998) 1.366 14.568 ( -14.576 0.000 -3.473) 14.984 14.697 ( -20.639 0.000 2.899) 20.842 15.394 ( 6.163 0.000 -14.902) 16.126 16.033 ( -2.438 0.000 6.237) 6.697 16.169 ( -0.721 0.000 -2.655) 2.752 16.419 ( -4.861 0.000 4.404) 6.559 17.091 ( 5.557 0.000 -2.947) 6.290 17.773 ( 1.331 0.000 0.630) 1.472 18.079 ( -1.792 0.000 -4.280) 4.640 18.180 ( 0.658 0.000 0.626) 0.908 18.394 ( -16.692 0.000 -14.583) 22.165 18.903 ( 1.313 0.000 3.024) 3.297 19.093 ( -53.347 0.000 12.337) 54.755 19.373 ( 10.886 0.000 4.462) 11.765 19.569 ( -2.117 0.000 0.838) 2.277 19.944 ( 3.732 0.000 0.924) 3.845 20.267 ( 13.788 0.000 2.656) 14.042 20.400 ( 0.885 0.000 -3.133) 3.256 20.597 ( 1.235 0.000 -0.951) 1.559 ======================= Grid point 46 (17/87) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 6.219 0.000 8.127) 10.233 0.446 ( 2.229 0.000 14.146) 14.320 0.470 ( 1.851 0.000 14.051) 14.172 0.920 ( -0.249 0.000 -1.105) 1.133 0.930 ( -0.303 0.000 1.916) 1.940 0.967 ( -1.895 0.000 0.709) 2.023 1.019 ( -0.391 0.000 2.669) 2.698 1.047 ( -3.768 0.000 -1.737) 4.149 1.099 ( -0.079 0.000 0.784) 0.788 1.154 ( 0.263 0.000 -2.284) 2.299 1.161 ( -0.358 0.000 1.582) 1.622 1.180 ( 1.022 0.000 -1.316) 1.666 1.218 ( 0.236 0.000 0.707) 0.746 1.287 ( -0.317 0.000 -0.060) 0.322 1.372 ( 0.022 0.000 -0.885) 0.885 1.386 ( 1.627 0.000 0.434) 1.684 1.419 ( -1.532 0.000 0.646) 1.663 1.500 ( -0.595 0.000 -2.652) 2.718 1.592 ( -0.999 0.000 0.657) 1.196 1.684 ( -1.052 0.000 2.932) 3.115 1.694 ( 2.729 0.000 0.855) 2.860 1.865 ( 4.012 0.000 -4.910) 6.341 1.958 ( 1.656 0.000 -1.573) 2.284 2.019 ( -0.102 0.000 0.052) 0.114 2.028 ( 4.108 0.000 -0.407) 4.128 2.097 ( -1.201 0.000 3.498) 3.699 2.270 ( 0.407 0.000 -4.256) 4.276 2.339 ( 1.720 0.000 0.402) 1.767 2.377 ( 2.587 0.000 2.821) 3.828 2.601 ( -0.626 0.000 0.599) 0.867 2.791 ( -1.443 0.000 -8.332) 8.456 2.929 ( -4.105 0.000 8.873) 9.776 2.948 ( 3.074 0.000 -0.636) 3.140 3.215 ( -1.151 0.000 0.526) 1.266 3.480 ( -4.785 0.000 2.518) 5.407 3.567 ( -0.799 0.000 0.304) 0.855 3.582 ( -5.729 0.000 4.120) 7.056 3.810 ( 0.993 0.000 -3.438) 3.578 3.908 ( 1.483 0.000 -1.667) 2.231 3.972 ( -1.645 0.000 -0.813) 1.835 4.017 ( 1.440 0.000 -2.295) 2.709 4.148 ( 3.135 0.000 -2.877) 4.255 4.348 ( -11.447 0.000 10.442) 15.494 4.410 ( -5.361 0.000 9.902) 11.260 4.891 ( -1.491 0.000 4.084) 4.347 5.033 ( -0.577 0.000 0.872) 1.045 5.073 ( -1.434 0.000 3.245) 3.547 5.361 ( -1.072 0.000 2.235) 2.479 5.409 ( 1.716 0.000 -7.853) 8.039 5.517 ( 0.973 0.000 1.498) 1.786 5.525 ( 0.174 0.000 0.018) 0.175 5.613 ( -0.306 0.000 2.344) 2.364 5.875 ( 0.600 0.000 -6.653) 6.680 6.067 ( 0.458 0.000 0.869) 0.982 6.509 ( -3.008 0.000 6.768) 7.406 6.591 ( -0.140 0.000 -1.456) 1.463 6.717 ( 0.062 0.000 0.642) 0.645 7.025 ( 1.293 0.000 -2.533) 2.843 7.143 ( 1.797 0.000 -2.138) 2.793 7.145 ( 1.330 0.000 -1.740) 2.190 7.331 ( 1.220 0.000 -1.004) 1.580 7.622 ( -4.256 0.000 -1.977) 4.692 7.876 ( -15.935 0.000 14.815) 21.758 7.925 ( -2.883 0.000 5.036) 5.803 8.320 ( 1.898 0.000 -4.902) 5.257 8.806 ( -9.386 0.000 15.882) 18.448 8.859 ( 1.650 0.000 -3.265) 3.658 9.090 ( -3.152 0.000 3.070) 4.400 9.252 ( 1.282 0.000 1.054) 1.660 9.568 ( -0.060 0.000 -1.277) 1.278 9.865 ( -0.411 0.000 -10.615) 10.623 10.042 ( -1.328 0.000 -1.035) 1.684 10.085 ( 4.578 0.000 -7.593) 8.867 10.138 ( 1.820 0.000 -9.128) 9.308 10.415 ( -1.302 0.000 7.320) 7.435 10.638 ( 5.835 0.000 -7.786) 9.730 10.845 ( -3.812 0.000 7.068) 8.030 11.040 ( -8.619 0.000 8.687) 12.238 11.061 ( -23.420 0.000 16.965) 28.919 11.394 ( 0.648 0.000 1.217) 1.379 11.600 ( -2.435 0.000 -2.826) 3.730 11.689 ( -0.112 0.000 2.304) 2.306 11.745 ( 0.588 0.000 -2.366) 2.438 12.115 ( 16.560 0.000 -15.893) 22.952 12.993 ( 3.522 0.000 2.194) 4.149 13.243 ( -21.497 0.000 10.594) 23.966 14.246 ( -0.416 0.000 2.707) 2.739 14.276 ( 0.173 0.000 1.180) 1.193 14.417 ( -0.066 0.000 -0.958) 0.960 14.572 ( 8.784 0.000 -4.340) 9.798 14.723 ( 9.343 0.000 -2.025) 9.560 15.369 ( 4.208 0.000 -13.740) 14.370 16.024 ( -3.538 0.000 4.804) 5.966 16.156 ( 1.287 0.000 -3.117) 3.372 16.334 ( -8.229 0.000 4.520) 9.389 17.028 ( -9.525 0.000 -2.215) 9.779 17.812 ( -17.766 0.000 5.855) 18.706 17.820 ( 2.803 0.000 1.355) 3.113 18.146 ( -3.111 0.000 2.650) 4.087 18.206 ( 1.384 0.000 0.980) 1.696 18.712 ( -7.987 0.000 2.852) 8.481 18.949 ( -0.027 0.000 5.412) 5.413 19.571 ( 4.785 0.000 4.922) 6.865 19.588 ( 3.999 0.000 -0.824) 4.083 20.001 ( 1.244 0.000 2.702) 2.974 20.381 ( 3.366 0.000 -3.411) 4.792 20.384 ( 0.025 0.000 -2.615) 2.615 20.588 ( -1.337 0.000 -1.230) 1.817 ======================= Grid point 47 (18/87) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 5.489 0.000 4.866) 7.335 0.585 ( 1.823 0.000 10.843) 10.995 0.624 ( 4.962 0.000 7.540) 9.026 0.918 ( 1.410 0.000 -2.127) 2.552 0.925 ( -2.792 0.000 2.826) 3.972 0.934 ( -1.987 0.000 0.678) 2.100 0.987 ( -1.223 0.000 -1.616) 2.026 1.024 ( -1.098 0.000 1.833) 2.137 1.113 ( -0.026 0.000 1.668) 1.668 1.130 ( -0.862 0.000 -2.816) 2.945 1.168 ( 0.038 0.000 2.861) 2.861 1.187 ( 1.898 0.000 -1.998) 2.756 1.241 ( 0.766 0.000 2.125) 2.259 1.296 ( 0.276 0.000 2.204) 2.221 1.347 ( -0.534 0.000 -3.359) 3.401 1.392 ( -1.804 0.000 0.832) 1.987 1.430 ( 2.481 0.000 0.799) 2.607 1.469 ( -0.774 0.000 -1.845) 2.001 1.582 ( -0.255 0.000 -0.273) 0.374 1.702 ( -1.062 0.000 6.635) 6.720 1.760 ( 2.861 0.000 1.445) 3.205 1.886 ( 1.506 0.000 -3.145) 3.487 1.967 ( 2.645 0.000 -4.069) 4.853 2.008 ( -1.219 0.000 -0.148) 1.228 2.090 ( -0.185 0.000 2.335) 2.342 2.130 ( 5.365 0.000 -1.779) 5.652 2.249 ( 2.160 0.000 -5.801) 6.190 2.369 ( 0.679 0.000 1.233) 1.407 2.440 ( 1.873 0.000 2.397) 3.043 2.608 ( 0.347 0.000 1.890) 1.922 2.675 ( -4.054 0.000 -4.430) 6.005 2.923 ( -4.482 0.000 8.391) 9.513 3.001 ( 3.293 0.000 -0.928) 3.421 3.173 ( -3.131 0.000 -0.742) 3.218 3.413 ( -5.763 0.000 5.878) 8.232 3.545 ( -1.816 0.000 0.023) 1.816 3.559 ( -0.248 0.000 0.700) 0.742 3.809 ( 1.307 0.000 -2.044) 2.426 3.912 ( 0.846 0.000 -2.197) 2.354 3.939 ( -0.972 0.000 -0.740) 1.222 4.022 ( 1.252 0.000 -2.472) 2.771 4.169 ( 1.815 0.000 -3.338) 3.800 4.300 ( -3.715 0.000 7.718) 8.566 4.396 ( -5.392 0.000 10.447) 11.757 4.892 ( -2.760 0.000 5.330) 6.002 5.027 ( -1.344 0.000 1.742) 2.201 5.064 ( -2.088 0.000 2.283) 3.094 5.361 ( -0.702 0.000 1.869) 1.996 5.374 ( 2.230 0.000 -8.906) 9.181 5.532 ( 0.942 0.000 -1.152) 1.488 5.547 ( 1.204 0.000 0.930) 1.521 5.649 ( 1.912 0.000 1.453) 2.402 5.835 ( -0.273 0.000 -3.395) 3.406 6.082 ( 0.599 0.000 0.395) 0.718 6.500 ( -3.418 0.000 5.097) 6.137 6.583 ( 0.001 0.000 -0.243) 0.243 6.719 ( -0.182 0.000 0.287) 0.340 7.021 ( 0.610 0.000 -2.516) 2.589 7.156 ( 1.388 0.000 -1.722) 2.211 7.161 ( 2.021 0.000 -1.976) 2.826 7.347 ( 1.851 0.000 -1.842) 2.612 7.522 ( -7.336 0.000 3.952) 8.332 7.791 ( -5.976 0.000 8.149) 10.105 7.908 ( -3.411 0.000 4.621) 5.743 8.323 ( 2.634 0.000 -4.427) 5.151 8.778 ( -8.098 0.000 14.751) 16.828 8.862 ( 2.187 0.000 -4.311) 4.834 9.056 ( -3.570 0.000 3.446) 4.962 9.280 ( 0.758 0.000 1.124) 1.356 9.555 ( -0.107 0.000 -1.642) 1.646 9.800 ( 1.311 0.000 -6.902) 7.025 10.015 ( 0.090 0.000 -2.551) 2.553 10.073 ( 1.850 0.000 -10.012) 10.182 10.119 ( 3.660 0.000 -6.785) 7.709 10.439 ( -2.187 0.000 6.430) 6.792 10.625 ( 0.300 0.000 -9.581) 9.585 10.853 ( -16.099 0.000 15.877) 22.611 10.860 ( -0.203 0.000 5.103) 5.107 10.944 ( -10.622 0.000 12.138) 16.129 11.420 ( 0.619 0.000 1.623) 1.737 11.559 ( -0.025 0.000 -4.186) 4.187 11.710 ( 0.504 0.000 1.594) 1.672 11.744 ( 1.936 0.000 -2.806) 3.408 12.140 ( 1.004 0.000 -8.907) 8.963 13.076 ( 3.742 0.000 1.511) 4.035 13.080 ( -7.024 0.000 5.542) 8.947 14.251 ( -1.226 0.000 2.350) 2.650 14.295 ( 0.447 0.000 1.534) 1.598 14.409 ( 0.232 0.000 -1.645) 1.661 14.662 ( 5.721 0.000 -3.818) 6.878 14.900 ( 12.801 0.000 -6.009) 14.142 15.330 ( 3.357 0.000 -11.992) 12.453 15.991 ( -3.666 0.000 3.059) 4.774 16.155 ( 0.783 0.000 -1.882) 2.039 16.233 ( -7.823 0.000 6.969) 10.477 16.802 ( -13.517 0.000 0.771) 13.539 17.683 ( -4.807 0.000 4.300) 6.450 17.881 ( 2.740 0.000 1.108) 2.956 18.133 ( -0.467 0.000 0.477) 0.668 18.237 ( 1.216 0.000 0.670) 1.389 18.649 ( -1.062 0.000 -0.996) 1.456 18.983 ( -1.262 0.000 5.418) 5.563 19.665 ( 1.370 0.000 5.999) 6.154 19.677 ( 6.388 0.000 -0.832) 6.442 20.028 ( -0.827 0.000 3.070) 3.180 20.364 ( -0.235 0.000 -1.924) 1.938 20.398 ( 2.549 0.000 -3.723) 4.513 20.536 ( -2.787 0.000 -1.944) 3.398 ======================= Grid point 48 (19/87) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 2.570 0.000 4.930) 5.559 0.664 ( -1.171 0.000 6.571) 6.675 0.728 ( 2.572 0.000 0.186) 2.579 0.889 ( -1.756 0.000 -2.648) 3.178 0.902 ( -2.051 0.000 1.838) 2.754 0.932 ( 1.712 0.000 -0.991) 1.978 0.980 ( -0.307 0.000 2.374) 2.394 1.013 ( -1.061 0.000 0.269) 1.095 1.100 ( -0.237 0.000 -1.004) 1.032 1.124 ( -0.032 0.000 1.834) 1.835 1.205 ( 1.905 0.000 -2.951) 3.513 1.206 ( 0.362 0.000 4.057) 4.073 1.259 ( -1.019 0.000 1.218) 1.588 1.320 ( -0.132 0.000 2.708) 2.712 1.322 ( 0.885 0.000 -1.670) 1.889 1.374 ( -0.824 0.000 0.677) 1.066 1.445 ( -0.200 0.000 -2.227) 2.236 1.478 ( 1.666 0.000 1.503) 2.243 1.577 ( 0.337 0.000 -1.198) 1.245 1.743 ( -0.926 0.000 7.324) 7.382 1.806 ( -0.003 0.000 3.407) 3.407 1.873 ( -0.118 0.000 -2.037) 2.041 1.972 ( 2.303 0.000 -6.699) 7.084 1.976 ( -1.611 0.000 -1.169) 1.991 2.087 ( -0.095 0.000 -1.105) 1.109 2.210 ( 4.339 0.000 -1.410) 4.562 2.266 ( 4.480 0.000 -4.357) 6.249 2.378 ( -1.062 0.000 2.324) 2.555 2.456 ( -0.927 0.000 -1.701) 1.937 2.614 ( -0.441 0.000 -0.860) 0.967 2.637 ( 0.779 0.000 2.211) 2.344 2.909 ( -4.630 0.000 8.208) 9.424 3.040 ( 1.992 0.000 -1.897) 2.750 3.117 ( -1.934 0.000 -0.212) 1.945 3.380 ( -3.438 0.000 6.174) 7.067 3.510 ( -1.717 0.000 -0.363) 1.755 3.562 ( 0.023 0.000 -0.384) 0.385 3.821 ( 1.460 0.000 -1.100) 1.828 3.904 ( 0.464 0.000 -2.639) 2.679 3.931 ( 0.548 0.000 -0.657) 0.856 4.022 ( 1.086 0.000 -2.633) 2.848 4.157 ( 0.459 0.000 -4.165) 4.190 4.320 ( -1.534 0.000 8.267) 8.408 4.390 ( -4.721 0.000 10.091) 11.141 4.880 ( -3.659 0.000 5.960) 6.993 5.015 ( -1.847 0.000 2.483) 3.095 5.038 ( -2.055 0.000 0.526) 2.122 5.351 ( 3.139 0.000 -8.599) 9.154 5.367 ( -0.238 0.000 1.529) 1.547 5.536 ( 0.868 0.000 -1.895) 2.084 5.569 ( 0.516 0.000 0.529) 0.739 5.697 ( 1.762 0.000 2.864) 3.363 5.819 ( 0.171 0.000 -0.157) 0.233 6.096 ( 0.766 0.000 0.471) 0.899 6.475 ( -3.304 0.000 3.563) 4.859 6.586 ( 0.032 0.000 0.826) 0.826 6.719 ( -0.130 0.000 0.737) 0.748 7.009 ( 0.492 0.000 -2.752) 2.796 7.162 ( 0.952 0.000 -1.842) 2.073 7.178 ( 1.664 0.000 -2.197) 2.756 7.361 ( 1.778 0.000 -2.883) 3.387 7.433 ( -6.647 0.000 4.037) 7.777 7.769 ( -2.701 0.000 4.592) 5.328 7.883 ( -3.294 0.000 4.112) 5.269 8.339 ( 2.997 0.000 -4.191) 5.152 8.754 ( -7.774 0.000 14.097) 16.098 8.869 ( 2.890 0.000 -4.786) 5.590 9.024 ( -3.239 0.000 3.644) 4.876 9.294 ( -0.030 0.000 0.772) 0.773 9.541 ( 0.038 0.000 -1.479) 1.480 9.804 ( 2.652 0.000 -1.263) 2.937 10.011 ( 2.834 0.000 -4.550) 5.360 10.015 ( 1.746 0.000 -11.768) 11.896 10.136 ( 3.774 0.000 -5.493) 6.665 10.437 ( -2.955 0.000 3.940) 4.925 10.519 ( -1.966 0.000 -10.958) 11.133 10.733 ( -10.549 0.000 11.748) 15.790 10.873 ( -7.487 0.000 12.006) 14.149 10.914 ( -0.524 0.000 6.942) 6.962 11.433 ( -0.184 0.000 0.350) 0.396 11.525 ( 0.060 0.000 -4.119) 4.120 11.726 ( 0.043 0.000 1.079) 1.080 11.771 ( 3.692 0.000 -3.193) 4.881 12.071 ( -1.709 0.000 -4.886) 5.177 13.044 ( -2.097 0.000 4.421) 4.894 13.135 ( 1.926 0.000 0.393) 1.966 14.244 ( -1.496 0.000 2.159) 2.627 14.311 ( -0.050 0.000 1.567) 1.567 14.401 ( 0.453 0.000 -1.738) 1.797 14.718 ( 3.970 0.000 -3.227) 5.116 15.049 ( 9.736 0.000 -6.269) 11.580 15.300 ( 3.733 0.000 -10.942) 11.562 15.952 ( -2.920 0.000 2.080) 3.585 16.153 ( 0.006 0.000 -0.596) 0.596 16.185 ( -5.303 0.000 9.749) 11.098 16.617 ( -8.512 0.000 2.754) 8.946 17.657 ( -2.016 0.000 2.866) 3.504 17.923 ( 1.246 0.000 0.185) 1.260 18.130 ( -0.050 0.000 -0.305) 0.309 18.256 ( 0.511 0.000 0.185) 0.543 18.647 ( 1.234 0.000 -0.451) 1.314 18.984 ( -2.318 0.000 2.460) 3.380 19.717 ( -1.034 0.000 6.328) 6.412 19.780 ( 4.763 0.000 1.037) 4.875 20.023 ( -1.898 0.000 1.950) 2.721 20.348 ( 0.117 0.000 -1.640) 1.644 20.417 ( 2.793 0.000 -3.521) 4.494 20.474 ( -1.954 0.000 -2.440) 3.126 ======================= Grid point 49 (20/87) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -5.075 0.000 2.578) 5.692 0.682 ( -3.517 0.000 4.809) 5.958 0.715 ( 0.086 0.000 -3.112) 3.113 0.838 ( -0.694 0.000 -3.594) 3.660 0.884 ( -1.808 0.000 1.444) 2.314 0.956 ( 0.300 0.000 1.149) 1.188 1.002 ( 0.688 0.000 -0.691) 0.976 1.003 ( 0.408 0.000 2.525) 2.557 1.108 ( 1.178 0.000 -0.007) 1.178 1.135 ( -0.496 0.000 1.346) 1.435 1.204 ( 1.173 0.000 -3.043) 3.262 1.225 ( -1.949 0.000 -1.065) 2.221 1.228 ( -2.037 0.000 4.487) 4.928 1.326 ( -1.621 0.000 2.489) 2.971 1.352 ( 1.848 0.000 1.098) 2.149 1.373 ( -0.001 0.000 0.499) 0.499 1.426 ( 0.067 0.000 -1.808) 1.809 1.502 ( -0.697 0.000 2.084) 2.198 1.573 ( 0.563 0.000 -1.821) 1.906 1.781 ( -1.207 0.000 6.968) 7.072 1.808 ( -3.116 0.000 3.723) 4.855 1.862 ( 0.761 0.000 -2.011) 2.150 1.940 ( 0.641 0.000 -7.121) 7.150 1.948 ( 0.295 0.000 -2.057) 2.078 2.079 ( 1.260 0.000 -3.307) 3.538 2.239 ( 0.229 0.000 -1.531) 1.548 2.319 ( 4.499 0.000 -3.664) 5.802 2.387 ( -0.818 0.000 4.779) 4.849 2.399 ( -1.753 0.000 -5.256) 5.540 2.607 ( -0.801 0.000 -0.842) 1.162 2.661 ( -0.101 0.000 1.990) 1.993 2.894 ( -4.498 0.000 8.368) 9.501 3.033 ( 0.135 0.000 -3.116) 3.119 3.121 ( 0.163 0.000 3.874) 3.878 3.395 ( -0.688 0.000 6.465) 6.502 3.488 ( -0.320 0.000 -0.468) 0.567 3.550 ( -0.356 0.000 -1.659) 1.697 3.840 ( 1.335 0.000 -0.459) 1.411 3.887 ( 0.416 0.000 -3.580) 3.604 3.939 ( 0.623 0.000 -0.552) 0.832 4.020 ( 1.031 0.000 -2.376) 2.590 4.128 ( 0.630 0.000 -5.118) 5.157 4.372 ( -0.941 0.000 9.900) 9.945 4.388 ( -4.470 0.000 9.404) 10.412 4.865 ( -3.266 0.000 5.880) 6.726 5.006 ( -1.332 0.000 2.612) 2.932 5.007 ( -1.254 0.000 -0.711) 1.442 5.349 ( 4.014 0.000 -7.491) 8.498 5.373 ( -0.576 0.000 1.508) 1.614 5.533 ( 0.724 0.000 -2.202) 2.318 5.572 ( -0.518 0.000 0.201) 0.556 5.758 ( 1.708 0.000 4.672) 4.974 5.838 ( 1.505 0.000 0.990) 1.801 6.124 ( 1.796 0.000 1.764) 2.517 6.446 ( -2.758 0.000 2.930) 4.024 6.596 ( 0.105 0.000 1.225) 1.229 6.729 ( 0.088 0.000 1.791) 1.793 6.998 ( 1.001 0.000 -3.169) 3.323 7.158 ( 0.565 0.000 -2.547) 2.609 7.179 ( 0.524 0.000 -2.379) 2.436 7.353 ( -5.510 0.000 2.584) 6.085 7.360 ( 0.989 0.000 -3.416) 3.557 7.762 ( -1.680 0.000 3.118) 3.541 7.866 ( -2.120 0.000 3.946) 4.479 8.357 ( 2.727 0.000 -4.297) 5.089 8.733 ( -7.400 0.000 13.975) 15.814 8.884 ( 3.073 0.000 -5.244) 6.078 9.007 ( -2.221 0.000 4.636) 5.140 9.292 ( -0.729 0.000 0.286) 0.783 9.534 ( 0.334 0.000 -0.916) 0.976 9.862 ( 2.757 0.000 3.158) 4.192 9.951 ( 2.444 0.000 -13.057) 13.284 10.041 ( 5.291 0.000 -6.178) 8.135 10.160 ( 3.960 0.000 -5.727) 6.963 10.401 ( -3.531 0.000 1.842) 3.983 10.413 ( 0.368 0.000 -10.874) 10.880 10.663 ( -7.105 0.000 8.893) 11.383 10.854 ( -5.482 0.000 12.360) 13.521 10.961 ( -0.788 0.000 6.792) 6.838 11.417 ( -1.113 0.000 -1.322) 1.728 11.504 ( 1.363 0.000 -3.918) 4.148 11.728 ( -0.788 0.000 0.917) 1.209 11.808 ( 2.880 0.000 -3.115) 4.243 12.025 ( 0.730 0.000 -3.368) 3.447 13.069 ( 0.376 0.000 5.446) 5.459 13.148 ( -0.391 0.000 -0.504) 0.638 14.235 ( -1.457 0.000 1.927) 2.416 14.317 ( -0.647 0.000 1.541) 1.672 14.397 ( 0.719 0.000 -1.687) 1.834 14.746 ( 2.114 0.000 -3.268) 3.892 15.144 ( 6.342 0.000 -4.436) 7.740 15.288 ( 4.982 0.000 -10.940) 12.021 15.930 ( -1.603 0.000 2.712) 3.151 16.143 ( -0.883 0.000 0.319) 0.939 16.199 ( -2.704 0.000 10.907) 11.237 16.564 ( -0.813 0.000 4.336) 4.412 17.654 ( -1.120 0.000 3.498) 3.673 17.923 ( -0.890 0.000 -1.017) 1.351 18.125 ( -0.039 0.000 -0.702) 0.703 18.257 ( -0.374 0.000 -0.334) 0.501 18.677 ( 1.847 0.000 0.766) 2.000 18.944 ( -2.720 0.000 -0.797) 2.835 19.733 ( -2.717 0.000 6.253) 6.818 19.844 ( 0.438 0.000 2.950) 2.983 19.998 ( -2.040 0.000 0.686) 2.152 20.343 ( 0.859 0.000 -1.694) 1.899 20.434 ( 1.990 0.000 -3.095) 3.680 20.443 ( 0.966 0.000 -2.674) 2.844 ======================= Grid point 50 (21/87) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -8.139 0.000 1.205) 8.227 0.545 ( -9.238 0.000 -4.065) 10.093 0.710 ( -5.218 0.000 5.927) 7.897 0.818 ( 1.251 0.000 -2.412) 2.717 0.865 ( -0.796 0.000 0.194) 0.819 0.965 ( 0.215 0.000 1.035) 1.057 1.016 ( -0.253 0.000 0.793) 0.833 1.029 ( 1.025 0.000 1.051) 1.468 1.127 ( 1.805 0.000 -1.866) 2.596 1.131 ( -0.459 0.000 1.095) 1.187 1.179 ( -3.320 0.000 2.309) 4.044 1.209 ( 1.341 0.000 -1.471) 1.990 1.225 ( -0.943 0.000 0.994) 1.370 1.309 ( -2.519 0.000 2.839) 3.795 1.372 ( 0.317 0.000 -0.787) 0.849 1.382 ( 0.497 0.000 0.886) 1.016 1.440 ( 1.657 0.000 1.970) 2.574 1.486 ( -2.848 0.000 2.171) 3.581 1.568 ( 0.781 0.000 -2.251) 2.383 1.767 ( -4.086 0.000 2.842) 4.978 1.818 ( -0.569 0.000 6.564) 6.589 1.864 ( 1.328 0.000 -2.545) 2.870 1.892 ( 0.468 0.000 -6.818) 6.834 1.956 ( 1.993 0.000 -1.683) 2.608 2.075 ( 1.085 0.000 -3.273) 3.448 2.208 ( -2.109 0.000 -0.911) 2.298 2.320 ( -1.610 0.000 -6.996) 7.179 2.346 ( 1.396 0.000 -2.701) 3.041 2.411 ( -1.480 0.000 4.739) 4.964 2.561 ( -2.284 0.000 -3.491) 4.172 2.667 ( -0.829 0.000 1.801) 1.982 2.887 ( -4.012 0.000 8.704) 9.584 3.007 ( -1.571 0.000 -0.226) 1.587 3.167 ( 0.739 0.000 4.892) 4.948 3.450 ( 0.686 0.000 6.708) 6.743 3.494 ( 1.319 0.000 -0.429) 1.387 3.528 ( 0.092 0.000 -2.781) 2.782 3.853 ( -0.295 0.000 0.566) 0.639 3.868 ( 2.119 0.000 -5.584) 5.972 3.941 ( 0.250 0.000 -0.426) 0.494 4.021 ( 1.044 0.000 -1.977) 2.236 4.104 ( 1.781 0.000 -5.903) 6.165 4.386 ( -4.186 0.000 9.313) 10.211 4.442 ( -0.641 0.000 11.376) 11.394 4.862 ( -2.128 0.000 5.119) 5.544 4.990 ( -0.011 0.000 -0.405) 0.405 5.011 ( -0.402 0.000 2.102) 2.141 5.368 ( 4.254 0.000 -6.334) 7.630 5.370 ( -1.204 0.000 1.600) 2.003 5.528 ( 0.778 0.000 -2.194) 2.328 5.554 ( -1.573 0.000 -0.065) 1.574 5.823 ( 1.130 0.000 4.721) 4.854 5.881 ( 2.980 0.000 -0.830) 3.094 6.204 ( 4.291 0.000 6.090) 7.450 6.430 ( -2.061 0.000 3.783) 4.308 6.608 ( 0.282 0.000 0.903) 0.946 6.747 ( -0.321 0.000 2.887) 2.905 6.994 ( 1.668 0.000 -3.608) 3.975 7.142 ( 0.521 0.000 -3.613) 3.650 7.159 ( -0.779 0.000 -1.727) 1.895 7.288 ( -3.899 0.000 2.355) 4.555 7.345 ( 0.264 0.000 -2.785) 2.798 7.759 ( -1.437 0.000 2.995) 3.322 7.874 ( -0.826 0.000 4.328) 4.406 8.363 ( 2.054 0.000 -4.503) 4.950 8.721 ( -6.794 0.000 14.263) 15.799 8.884 ( 1.703 0.000 -5.092) 5.370 9.026 ( -0.225 0.000 5.321) 5.325 9.274 ( -1.269 0.000 -0.147) 1.277 9.539 ( 0.778 0.000 -0.453) 0.901 9.897 ( 3.599 0.000 -13.868) 14.327 9.941 ( 2.322 0.000 5.015) 5.526 10.086 ( 5.288 0.000 -6.600) 8.457 10.177 ( 3.903 0.000 -7.927) 8.836 10.356 ( -3.046 0.000 2.227) 3.773 10.367 ( 4.246 0.000 -10.867) 11.667 10.619 ( -5.636 0.000 7.735) 9.570 10.881 ( -2.460 0.000 11.421) 11.682 10.991 ( -2.187 0.000 7.323) 7.643 11.379 ( -1.166 0.000 -2.567) 2.819 11.507 ( 2.423 0.000 -4.174) 4.826 11.716 ( -1.538 0.000 1.357) 2.052 11.811 ( 0.280 0.000 -2.530) 2.546 12.046 ( 4.610 0.000 -4.269) 6.283 13.113 ( -2.834 0.000 -0.913) 2.977 13.146 ( 2.809 0.000 7.193) 7.721 14.225 ( -1.253 0.000 1.482) 1.941 14.312 ( -1.282 0.000 1.509) 1.980 14.400 ( 1.029 0.000 -1.360) 1.705 14.737 ( 0.076 0.000 -3.813) 3.814 15.212 ( 4.297 0.000 -1.075) 4.430 15.303 ( 7.060 0.000 -11.575) 13.558 15.940 ( -0.503 0.000 4.166) 4.196 16.137 ( -0.530 0.000 2.029) 2.097 16.258 ( -0.419 0.000 10.565) 10.574 16.639 ( 4.671 0.000 4.027) 6.168 17.681 ( -0.401 0.000 7.495) 7.506 17.880 ( -2.499 0.000 -1.929) 3.157 18.118 ( -0.077 0.000 -0.874) 0.878 18.237 ( -1.257 0.000 -0.949) 1.575 18.715 ( 1.421 0.000 1.025) 1.752 18.889 ( -1.924 0.000 -1.950) 2.739 19.730 ( -3.193 0.000 6.580) 7.314 19.836 ( -4.443 0.000 3.670) 5.763 19.968 ( -1.785 0.000 0.587) 1.879 20.354 ( 1.953 0.000 -1.681) 2.577 20.431 ( 0.506 0.000 -3.592) 3.627 20.462 ( 3.549 0.000 -2.918) 4.594 ======================= Grid point 51 (22/87) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -10.679 0.000 -0.862) 10.713 0.397 ( -9.894 0.000 3.556) 10.514 0.605 ( -12.741 0.000 7.952) 15.019 0.841 ( 2.707 0.000 -1.222) 2.971 0.872 ( 2.212 0.000 -0.746) 2.334 0.977 ( 0.255 0.000 0.721) 0.765 1.001 ( -2.122 0.000 2.003) 2.918 1.057 ( 1.683 0.000 -0.180) 1.693 1.121 ( -2.047 0.000 0.625) 2.140 1.148 ( 2.672 0.000 -2.279) 3.512 1.171 ( 0.024 0.000 2.059) 2.059 1.214 ( -0.764 0.000 0.963) 1.230 1.219 ( 0.778 0.000 -1.051) 1.307 1.289 ( -2.120 0.000 2.652) 3.395 1.374 ( 0.993 0.000 -1.398) 1.715 1.404 ( 0.845 0.000 1.273) 1.528 1.445 ( -3.474 0.000 1.708) 3.872 1.497 ( 1.676 0.000 4.113) 4.441 1.565 ( 1.176 0.000 -3.121) 3.335 1.724 ( -2.617 0.000 1.648) 3.093 1.855 ( 1.390 0.000 -5.941) 6.101 1.862 ( 1.132 0.000 -3.543) 3.719 1.864 ( -0.117 0.000 5.160) 5.162 1.979 ( 1.918 0.000 -1.520) 2.447 2.061 ( -0.501 0.000 -1.574) 1.652 2.164 ( -2.427 0.000 0.284) 2.444 2.243 ( -0.382 0.000 -6.181) 6.193 2.330 ( -1.078 0.000 -1.285) 1.677 2.399 ( -3.317 0.000 3.050) 4.505 2.483 ( -3.190 0.000 -2.628) 4.133 2.661 ( -1.034 0.000 0.627) 1.209 2.894 ( -3.441 0.000 9.261) 9.880 2.979 ( -2.412 0.000 2.204) 3.267 3.210 ( -0.072 0.000 3.807) 3.807 3.508 ( 0.690 0.000 -0.289) 0.748 3.520 ( 1.899 0.000 -0.421) 1.945 3.525 ( 1.190 0.000 4.781) 4.927 3.844 ( 1.028 0.000 -3.098) 3.264 3.869 ( 1.344 0.000 -2.929) 3.223 3.947 ( 0.772 0.000 -0.169) 0.791 4.022 ( 0.853 0.000 -2.093) 2.260 4.096 ( 2.572 0.000 -5.850) 6.390 4.393 ( -3.604 0.000 9.583) 10.238 4.531 ( 0.364 0.000 11.555) 11.561 4.869 ( -1.237 0.000 3.651) 3.855 5.001 ( 0.868 0.000 1.173) 1.460 5.022 ( 0.057 0.000 1.209) 1.210 5.361 ( -1.201 0.000 1.751) 2.123 5.392 ( 3.746 0.000 -5.229) 6.432 5.523 ( -1.901 0.000 0.344) 1.932 5.526 ( 1.001 0.000 -2.267) 2.478 5.869 ( 0.807 0.000 2.649) 2.769 5.918 ( 3.620 0.000 -4.699) 5.932 6.364 ( 6.750 0.000 5.737) 8.859 6.437 ( -1.541 0.000 5.863) 6.062 6.619 ( 0.561 0.000 -0.010) 0.562 6.757 ( -1.674 0.000 2.989) 3.425 6.998 ( 2.109 0.000 -3.705) 4.263 7.124 ( 1.130 0.000 -4.175) 4.325 7.145 ( 0.201 0.000 0.872) 0.894 7.282 ( -0.785 0.000 12.710) 12.734 7.329 ( 0.028 0.000 -1.554) 1.554 7.767 ( -1.238 0.000 6.136) 6.259 7.899 ( -0.708 0.000 4.842) 4.894 8.358 ( 1.603 0.000 -4.494) 4.771 8.725 ( -6.104 0.000 15.360) 16.529 8.870 ( 0.965 0.000 -3.849) 3.968 9.070 ( 0.409 0.000 4.605) 4.623 9.249 ( -1.349 0.000 -0.186) 1.362 9.553 ( 1.070 0.000 -0.295) 1.110 9.854 ( 3.830 0.000 -13.489) 14.023 10.012 ( 0.744 0.000 5.292) 5.344 10.107 ( 3.585 0.000 -8.094) 8.852 10.169 ( 3.608 0.000 -9.762) 10.408 10.334 ( -2.227 0.000 2.917) 3.670 10.389 ( 7.823 0.000 -10.074) 12.755 10.593 ( -4.894 0.000 10.180) 11.295 10.932 ( -3.062 0.000 11.205) 11.616 11.005 ( -1.907 0.000 6.197) 6.483 11.350 ( 0.627 0.000 -2.634) 2.707 11.512 ( 2.011 0.000 -4.991) 5.381 11.700 ( -1.908 0.000 2.468) 3.119 11.791 ( -0.250 0.000 -2.099) 2.114 12.085 ( 3.958 0.000 -6.993) 8.035 13.040 ( -4.582 0.000 -0.643) 4.626 13.291 ( 6.670 0.000 9.042) 11.236 14.215 ( -0.956 0.000 1.165) 1.507 14.298 ( -1.594 0.000 1.477) 2.174 14.412 ( 1.177 0.000 -0.705) 1.372 14.693 ( -1.243 0.000 -4.258) 4.435 15.286 ( 4.687 0.000 -0.169) 4.690 15.346 ( 8.672 0.000 -12.939) 15.576 15.973 ( -0.382 0.000 5.732) 5.745 16.165 ( 0.787 0.000 4.467) 4.536 16.345 ( 1.063 0.000 9.082) 9.144 16.764 ( 5.671 0.000 3.712) 6.778 17.792 ( 2.697 0.000 19.649) 19.833 17.816 ( -2.610 0.000 -1.972) 3.271 18.110 ( -0.018 0.000 -0.722) 0.722 18.203 ( -1.460 0.000 -1.071) 1.811 18.737 ( 0.536 0.000 0.044) 0.537 18.856 ( -0.260 0.000 -1.143) 1.172 19.738 ( -2.015 0.000 7.794) 8.050 19.755 ( -7.599 0.000 3.334) 8.298 19.954 ( -1.111 0.000 2.678) 2.899 20.380 ( 2.496 0.000 -2.066) 3.240 20.384 ( -1.688 0.000 -7.045) 7.245 20.511 ( 4.318 0.000 -2.576) 5.028 ======================= Grid point 52 (23/87) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.205 ( -7.250 0.000 8.374) 11.076 0.282 ( -8.371 0.000 10.675) 13.566 0.432 ( -14.811 0.000 13.079) 19.759 0.878 ( 2.141 0.000 -0.214) 2.152 0.930 ( 4.233 0.000 -0.734) 4.296 0.976 ( -2.153 0.000 1.783) 2.796 0.989 ( -0.283 0.000 1.490) 1.516 1.082 ( 2.131 0.000 -1.518) 2.616 1.102 ( 0.292 0.000 -0.295) 0.415 1.159 ( -2.190 0.000 1.082) 2.442 1.177 ( 1.744 0.000 -1.492) 2.295 1.212 ( -1.382 0.000 0.222) 1.399 1.225 ( 0.276 0.000 0.389) 0.477 1.284 ( 0.183 0.000 0.612) 0.639 1.372 ( 0.041 0.000 -1.955) 1.956 1.394 ( -2.616 0.000 0.212) 2.624 1.428 ( 0.227 0.000 1.295) 1.314 1.546 ( 0.570 0.000 0.144) 0.588 1.564 ( 1.550 0.000 -0.539) 1.641 1.695 ( -1.853 0.000 -0.433) 1.903 1.832 ( -5.105 0.000 -4.052) 6.517 1.848 ( 1.887 0.000 -4.946) 5.294 1.856 ( 2.892 0.000 -4.091) 5.011 1.998 ( 1.527 0.000 -1.053) 1.855 2.034 ( -2.113 0.000 0.906) 2.299 2.130 ( -2.693 0.000 2.030) 3.372 2.259 ( 3.997 0.000 0.990) 4.118 2.302 ( -0.841 0.000 -0.822) 1.176 2.355 ( -3.072 0.000 0.839) 3.184 2.472 ( 3.922 0.000 7.231) 8.226 2.642 ( -1.182 0.000 -0.363) 1.236 2.911 ( -3.359 0.000 9.456) 10.035 2.961 ( -2.099 0.000 3.208) 3.833 3.221 ( -1.209 0.000 1.933) 2.280 3.509 ( 1.472 0.000 -2.859) 3.216 3.548 ( 1.565 0.000 -0.315) 1.596 3.610 ( 2.320 0.000 6.962) 7.338 3.842 ( 2.249 0.000 -5.510) 5.951 3.869 ( 0.762 0.000 -0.903) 1.182 3.965 ( 1.111 0.000 0.365) 1.170 4.016 ( 0.539 0.000 -2.277) 2.340 4.099 ( 2.688 0.000 -4.696) 5.411 4.409 ( -3.465 0.000 9.560) 10.169 4.628 ( 1.371 0.000 6.289) 6.437 4.875 ( -0.841 0.000 2.629) 2.760 5.030 ( 0.114 0.000 0.515) 0.528 5.033 ( 0.746 0.000 2.632) 2.736 5.358 ( -0.821 0.000 1.986) 2.149 5.415 ( 3.141 0.000 -4.170) 5.221 5.499 ( -1.378 0.000 1.178) 1.813 5.525 ( 1.056 0.000 -2.575) 2.783 5.890 ( -0.098 0.000 -0.708) 0.715 5.929 ( 3.317 0.000 -7.795) 8.471 6.366 ( -7.029 0.000 -15.570) 17.083 6.465 ( -1.533 0.000 7.587) 7.741 6.622 ( 0.319 0.000 -1.478) 1.512 6.725 ( -2.752 0.000 1.270) 3.031 7.007 ( 2.138 0.000 -3.354) 3.978 7.119 ( 1.920 0.000 -3.780) 4.240 7.151 ( 0.113 0.000 -1.060) 1.066 7.322 ( 0.122 0.000 -0.756) 0.766 7.590 ( 14.278 0.000 6.268) 15.593 7.921 ( -1.488 0.000 5.142) 5.353 7.929 ( 11.871 0.000 32.108) 34.232 8.358 ( 2.420 0.000 -3.305) 4.096 8.784 ( -1.410 0.000 21.237) 21.284 8.860 ( 0.950 0.000 -2.868) 3.022 9.105 ( -0.400 0.000 3.590) 3.612 9.231 ( -0.690 0.000 0.164) 0.709 9.568 ( 0.884 0.000 -0.380) 0.962 9.845 ( 6.447 0.000 -2.080) 6.774 10.035 ( -1.424 0.000 0.191) 1.437 10.087 ( 1.738 0.000 -6.755) 6.975 10.164 ( 4.769 0.000 -8.578) 9.814 10.312 ( -2.302 0.000 2.999) 3.781 10.470 ( 9.635 0.000 -8.759) 13.021 10.685 ( 6.225 0.000 23.315) 24.131 10.923 ( -6.574 0.000 8.978) 11.127 11.040 ( -0.724 0.000 7.355) 7.391 11.361 ( 2.284 0.000 -1.901) 2.972 11.491 ( 0.272 0.000 -5.439) 5.446 11.689 ( -2.044 0.000 3.441) 4.002 11.773 ( 0.100 0.000 -1.987) 1.989 12.032 ( -3.835 0.000 -9.694) 10.425 12.962 ( -3.594 0.000 0.411) 3.617 13.526 ( 12.822 0.000 6.324) 14.297 14.213 ( -0.374 0.000 1.394) 1.443 14.283 ( -1.448 0.000 1.484) 2.074 14.427 ( 0.857 0.000 0.066) 0.859 14.639 ( -0.647 0.000 -4.153) 4.204 15.287 ( -4.125 0.000 -17.736) 18.210 15.386 ( 8.167 0.000 -14.530) 16.667 16.011 ( -1.127 0.000 6.664) 6.759 16.209 ( -0.389 0.000 1.085) 1.153 16.420 ( -0.367 0.000 6.575) 6.585 16.918 ( 8.547 0.000 6.984) 11.038 17.771 ( -0.978 0.000 -0.864) 1.305 18.096 ( 1.534 0.000 -1.081) 1.876 18.178 ( -0.582 0.000 -0.316) 0.663 18.245 ( 24.425 0.000 33.631) 41.565 18.767 ( 3.947 0.000 10.120) 10.862 18.864 ( 1.262 0.000 0.582) 1.390 19.643 ( -7.159 0.000 2.387) 7.547 19.807 ( 3.954 0.000 5.921) 7.120 19.990 ( 0.939 0.000 8.609) 8.660 20.178 ( -15.742 0.000 -19.193) 24.823 20.400 ( 1.945 0.000 -2.874) 3.470 20.564 ( 3.445 0.000 -1.562) 3.782 ======================= Grid point 53 (24/87) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.175 ( -1.426 7.593 5.960) 9.758 0.352 ( -4.900 6.839 8.906) 12.251 0.643 ( -4.536 8.721 12.331) 15.769 0.858 ( -0.097 -6.838 -0.281) 6.844 0.860 ( -1.196 -1.981 2.584) 3.469 0.936 ( 0.215 2.076 0.790) 2.232 1.026 ( -0.575 0.237 -1.066) 1.234 1.073 ( -0.555 -0.154 -0.855) 1.031 1.142 ( 2.794 1.602 -1.055) 3.389 1.174 ( -0.271 0.367 -2.519) 2.559 1.186 ( 0.677 0.943 0.059) 1.162 1.217 ( 0.793 1.970 -1.542) 2.625 1.260 ( -0.720 2.071 -1.560) 2.691 1.315 ( 0.671 0.901 -0.426) 1.202 1.352 ( -0.132 0.330 0.061) 0.361 1.390 ( -0.399 0.764 0.512) 1.002 1.456 ( -0.123 1.777 0.617) 1.885 1.515 ( -0.105 -2.399 -1.194) 2.682 1.527 ( 1.755 -3.901 -1.997) 4.721 1.614 ( 0.514 -4.772 -0.357) 4.813 1.708 ( -2.706 0.113 1.575) 3.133 1.822 ( 2.152 -2.738 -2.556) 4.320 1.912 ( 3.855 0.966 -2.639) 4.771 1.998 ( -3.342 -1.127 1.718) 3.924 2.016 ( 1.426 -0.342 -1.046) 1.801 2.060 ( -2.781 -2.704 2.102) 4.412 2.185 ( 3.060 -2.443 1.026) 4.047 2.264 ( 0.950 -1.184 -3.005) 3.367 2.338 ( -0.641 -2.594 2.602) 3.730 2.450 ( 3.021 -10.709 4.692) 12.075 2.770 ( 0.158 9.317 0.412) 9.327 2.901 ( -2.315 0.820 5.288) 5.831 2.993 ( -2.357 -0.049 1.869) 3.008 3.184 ( -1.196 0.536 1.755) 2.190 3.363 ( -4.384 -6.507 7.038) 10.540 3.585 ( 1.507 3.324 -1.680) 4.018 3.737 ( 1.026 4.680 -0.788) 4.856 3.837 ( 1.400 0.178 -3.522) 3.795 3.910 ( 0.862 -1.514 -1.796) 2.502 3.996 ( -0.168 -7.785 0.874) 7.836 4.105 ( 1.588 7.527 -0.958) 7.752 4.171 ( -1.666 6.250 1.470) 6.633 4.307 ( 4.109 7.790 -4.263) 9.785 4.697 ( -0.696 -6.222 -1.497) 6.437 4.929 ( 0.320 -0.806 -0.704) 1.117 5.054 ( -0.091 -0.861 -0.008) 0.866 5.088 ( -2.103 5.089 4.412) 7.056 5.354 ( 1.097 -0.971 -2.868) 3.220 5.374 ( -1.673 -0.989 1.123) 2.245 5.469 ( 0.798 -3.140 -2.443) 4.058 5.708 ( -0.349 7.406 -1.315) 7.530 5.876 ( 0.959 -0.935 -7.283) 7.405 6.017 ( 3.105 5.124 -7.517) 9.612 6.212 ( 0.687 2.600 -9.341) 9.721 6.526 ( -2.527 5.333 5.566) 8.112 6.729 ( -0.107 6.538 0.187) 6.541 6.731 ( -1.331 6.870 -1.541) 7.166 6.978 ( 1.531 -2.556 -1.600) 3.382 7.100 ( -0.034 -7.023 -1.420) 7.165 7.120 ( -0.134 -3.896 -0.500) 3.931 7.373 ( 0.661 12.666 -2.682) 12.964 7.719 ( 1.140 0.164 -2.932) 3.150 7.887 ( -1.190 -2.594 2.486) 3.785 8.128 ( -1.606 -7.626 -1.697) 7.976 8.641 ( -1.817 7.782 0.392) 8.001 8.730 ( -5.890 -5.266 13.856) 15.950 9.067 ( -3.270 4.016 -9.647) 10.949 9.090 ( -0.138 0.618 -0.187) 0.661 9.284 ( -1.246 15.758 -7.966) 17.701 9.792 ( 0.233 9.460 -3.164) 9.978 9.881 ( -0.354 -6.191 -11.386) 12.965 9.971 ( 0.420 -4.427 -1.889) 4.831 10.061 ( 5.255 -0.336 -5.904) 7.911 10.210 ( 2.880 -2.231 -2.718) 4.545 10.332 ( -2.663 4.093 1.857) 5.224 10.519 ( 6.649 -3.073 -6.999) 10.130 10.812 ( -3.312 -2.210 12.438) 13.060 11.041 ( -1.063 -4.428 6.568) 7.992 11.319 ( 1.602 1.804 1.382) 2.781 11.518 ( 9.694 7.968 -2.848) 12.868 11.544 ( 1.147 -3.188 1.868) 3.869 11.736 ( 1.240 1.428 -1.343) 2.319 11.780 ( -10.419 0.452 -5.099) 11.609 11.843 ( 6.012 2.055 -1.870) 6.623 13.006 ( 6.223 5.352 -7.702) 11.256 13.428 ( -3.314 -13.724 -3.346) 14.510 14.259 ( 0.417 0.152 0.405) 0.601 14.326 ( 2.044 -1.738 -1.109) 2.903 14.494 ( 4.164 1.951 -1.252) 4.766 14.584 ( 1.463 -1.052 -3.470) 3.910 15.003 ( -18.915 22.152 -11.747) 31.409 15.428 ( -0.313 0.009 -12.978) 12.982 16.162 ( -5.911 4.643 -3.349) 8.229 16.273 ( 0.736 9.523 -5.468) 11.006 16.405 ( -2.833 3.080 3.735) 5.609 16.990 ( 3.089 -9.776 -2.300) 10.507 17.758 ( 0.017 -0.775 1.885) 2.038 17.974 ( -11.526 -13.135 3.908) 17.907 18.160 ( -1.116 -1.085 2.712) 3.127 18.205 ( -1.962 -3.764 3.433) 5.459 18.853 ( -4.519 -1.300 8.115) 9.379 18.948 ( -9.298 -4.340 9.813) 14.198 19.402 ( 3.047 2.958 2.066) 4.722 19.569 ( -0.435 -2.873 0.607) 2.968 19.957 ( 0.943 2.727 2.906) 4.095 20.116 ( 2.225 -4.603 9.343) 10.650 20.513 ( 1.830 3.120 -5.150) 6.293 20.589 ( 1.193 -0.931 -1.493) 2.126 ======================= Grid point 54 (25/87) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 4.374 -0.870 10.538) 11.443 0.407 ( 3.297 4.663 6.625) 8.747 0.654 ( -3.321 0.446 7.921) 8.601 0.856 ( 0.279 -5.909 0.779) 5.967 0.870 ( -0.144 -0.488 1.214) 1.316 0.943 ( -0.123 -0.524 1.140) 1.261 1.009 ( -0.705 0.639 -0.200) 0.972 1.037 ( -2.987 -0.333 -0.095) 3.007 1.128 ( -1.697 1.992 -1.359) 2.949 1.144 ( -0.157 0.084 -2.243) 2.250 1.208 ( 0.442 1.447 -0.557) 1.612 1.223 ( 0.383 2.998 -0.337) 3.041 1.245 ( 0.367 2.025 -0.159) 2.064 1.314 ( 0.279 -0.697 -1.829) 1.977 1.350 ( -0.273 1.251 0.860) 1.542 1.399 ( 1.044 1.435 0.255) 1.793 1.448 ( -1.382 1.435 0.488) 2.051 1.492 ( -0.627 -0.943 -2.106) 2.391 1.550 ( 0.760 -3.837 0.752) 3.983 1.635 ( 0.708 -4.999 1.814) 5.365 1.703 ( 1.691 1.789 0.758) 2.575 1.853 ( 3.557 -2.344 -2.304) 4.844 1.941 ( 1.094 -0.654 -2.223) 2.562 1.992 ( 0.655 -1.169 1.279) 1.853 2.026 ( 0.537 -3.147 -1.004) 3.347 2.051 ( 1.093 -1.853 0.644) 2.246 2.217 ( 0.960 -0.910 -2.106) 2.487 2.302 ( 4.260 -0.584 0.223) 4.306 2.353 ( -0.508 -1.937 3.411) 3.956 2.530 ( 1.840 -12.116 3.013) 12.620 2.786 ( 0.742 9.167 0.857) 9.237 2.891 ( -2.069 0.260 2.618) 3.347 2.968 ( -2.716 -1.353 3.427) 4.577 3.181 ( -0.985 1.980 2.295) 3.187 3.327 ( -5.417 -4.096 6.377) 9.316 3.594 ( 0.765 3.205 -1.124) 3.482 3.739 ( 0.084 4.570 -1.286) 4.749 3.826 ( 0.376 0.457 -2.457) 2.527 3.906 ( 0.488 -2.605 -2.675) 3.765 3.996 ( -0.925 -9.601 1.614) 9.780 4.113 ( 0.600 8.596 -1.803) 8.803 4.153 ( -1.521 6.888 1.516) 7.215 4.349 ( 4.586 8.938 -5.477) 11.441 4.637 ( -5.598 -2.474 1.663) 6.343 4.910 ( -1.798 0.038 -0.035) 1.798 5.048 ( -0.379 -0.624 -0.004) 0.730 5.088 ( -1.549 3.892 3.378) 5.382 5.320 ( -0.528 -4.895 -3.144) 5.842 5.375 ( -0.824 1.778 2.252) 2.986 5.477 ( 1.823 -2.448 -1.799) 3.543 5.702 ( 1.058 5.797 -1.993) 6.221 5.818 ( -1.168 1.150 -6.447) 6.652 5.989 ( 2.478 9.628 -11.452) 15.166 6.160 ( -0.165 7.430 -3.500) 8.215 6.525 ( -2.236 4.437 4.338) 6.596 6.708 ( -0.528 7.265 -0.513) 7.302 6.729 ( -0.458 6.130 1.136) 6.251 6.994 ( 1.398 -3.427 -1.047) 3.846 7.091 ( 0.111 -6.107 -1.196) 6.224 7.115 ( 0.556 -4.253 -1.221) 4.459 7.369 ( 0.993 10.299 -1.689) 10.484 7.708 ( 0.979 0.745 -4.649) 4.809 7.882 ( -1.775 -2.771 2.699) 4.256 8.014 ( -11.017 0.039 3.037) 11.428 8.544 ( -7.087 20.436 -2.578) 21.783 8.729 ( -6.409 -3.909 13.715) 15.636 8.910 ( -3.633 4.583 -3.594) 6.864 9.079 ( -1.447 1.238 1.018) 2.159 9.274 ( 1.239 5.448 0.866) 5.654 9.762 ( -1.204 10.545 -2.116) 10.822 9.774 ( -0.557 -7.737 -11.652) 13.997 9.952 ( -1.051 -6.049 -0.246) 6.144 10.071 ( 2.841 -1.131 -7.595) 8.188 10.224 ( 3.066 0.785 -7.144) 7.813 10.309 ( -2.909 -1.001 4.488) 5.441 10.577 ( 5.156 -6.476 -4.691) 9.514 10.823 ( -5.634 -0.367 10.541) 11.958 11.003 ( -8.900 -2.324 9.108) 12.945 11.276 ( -18.756 15.058 5.786) 24.739 11.389 ( -0.777 1.236 2.442) 2.845 11.627 ( 1.018 -4.204 1.733) 4.659 11.659 ( -1.448 3.356 -1.614) 3.995 11.736 ( 2.346 -1.794 -5.636) 6.362 11.976 ( 8.491 -9.828 -6.201) 14.393 13.032 ( 3.255 2.723 -6.176) 7.493 13.236 ( -13.073 -3.546 1.915) 13.680 14.262 ( -0.685 0.454 1.109) 1.381 14.326 ( -1.490 -0.952 0.516) 1.842 14.467 ( -6.169 5.693 2.286) 8.701 14.594 ( 4.113 0.177 -3.876) 5.654 14.832 ( 7.834 14.049 -6.938) 17.518 15.346 ( 1.655 -3.425 -11.878) 12.472 16.059 ( -4.174 2.516 -0.112) 4.875 16.226 ( -3.405 -0.812 -1.922) 3.994 16.352 ( -4.663 8.771 2.295) 10.195 16.914 ( -8.080 -10.152 -2.059) 13.137 17.759 ( -4.948 -1.385 4.001) 6.512 17.822 ( -3.657 -1.821 4.907) 6.385 18.160 ( -0.593 1.416 1.611) 2.225 18.210 ( 0.852 -0.143 0.923) 1.265 18.746 ( -6.988 3.105 3.090) 8.247 18.917 ( -2.100 -3.036 5.062) 6.265 19.541 ( 6.785 0.824 1.541) 7.006 19.651 ( 5.999 0.499 1.879) 6.306 20.007 ( 1.396 1.697 3.036) 3.748 20.214 ( 2.452 -7.329 3.552) 8.506 20.486 ( -0.509 3.155 -3.770) 4.942 20.575 ( -1.357 -1.231 -1.586) 2.423 ======================= Grid point 55 (26/87) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 3.576 -4.648 10.217) 11.780 0.532 ( 5.844 0.404 2.641) 6.426 0.659 ( -1.542 -3.708 4.295) 5.880 0.863 ( 0.117 -2.656 -0.671) 2.742 0.886 ( 0.903 -2.931 1.337) 3.345 0.951 ( -0.616 -2.553 0.721) 2.723 0.976 ( -1.879 2.148 0.689) 2.935 1.015 ( -0.823 -0.613 2.498) 2.701 1.083 ( -1.751 1.376 -1.460) 2.663 1.145 ( 1.383 -0.228 -0.775) 1.602 1.200 ( -0.327 2.508 -1.059) 2.742 1.214 ( -0.320 1.646 -0.756) 1.839 1.260 ( 0.958 1.844 0.432) 2.122 1.303 ( 0.133 0.061 -1.112) 1.121 1.358 ( -0.082 0.771 1.140) 1.378 1.417 ( -0.397 -0.101 -0.090) 0.420 1.423 ( -1.109 0.797 0.443) 1.436 1.475 ( 0.165 1.125 0.558) 1.267 1.562 ( 0.689 -2.546 -0.689) 2.726 1.666 ( -0.116 -3.770 5.266) 6.477 1.756 ( 2.370 0.727 1.012) 2.677 1.895 ( 2.060 -0.717 -0.483) 2.234 1.942 ( 1.161 -2.131 -3.069) 3.912 1.988 ( -0.507 -0.969 -0.874) 1.400 2.030 ( 1.364 -3.979 -2.119) 4.710 2.100 ( 4.442 -2.596 -2.084) 5.551 2.223 ( 1.679 1.092 -1.265) 2.369 2.348 ( -0.240 -2.117 1.416) 2.558 2.395 ( 2.666 -0.219 2.193) 3.460 2.557 ( -0.135 -7.800 0.636) 7.827 2.788 ( -0.625 7.164 -0.211) 7.194 2.900 ( 0.944 -0.264 2.274) 2.476 2.950 ( -3.172 -2.349 4.711) 6.146 3.183 ( -1.003 1.986 2.546) 3.381 3.285 ( -4.672 -0.558 5.571) 7.292 3.595 ( 0.384 3.122 -0.807) 3.248 3.721 ( -0.433 6.208 -2.198) 6.599 3.819 ( 0.682 -0.370 -1.436) 1.632 3.883 ( -0.235 -2.820 -3.462) 4.472 3.993 ( -0.916 -9.438 1.955) 9.681 4.101 ( 0.314 8.677 -2.727) 9.101 4.146 ( -0.712 5.547 1.834) 5.885 4.361 ( 2.339 9.108 -7.341) 11.930 4.567 ( -5.548 0.954 6.902) 8.906 4.878 ( -1.833 -0.840 0.547) 2.089 5.048 ( -0.041 0.065 0.871) 0.875 5.079 ( -2.254 3.626 2.342) 4.869 5.296 ( 0.502 -4.965 -3.178) 5.916 5.375 ( -1.280 1.639 2.467) 3.227 5.493 ( 1.068 -2.899 -0.903) 3.219 5.705 ( 1.398 3.638 -3.481) 5.225 5.749 ( -1.714 3.144 -2.838) 4.569 5.951 ( 2.843 12.024 -8.214) 14.836 6.141 ( -0.138 5.045 -1.538) 5.276 6.517 ( -1.986 4.409 3.001) 5.692 6.698 ( -0.239 8.000 -0.368) 8.012 6.734 ( -0.611 5.411 2.419) 5.959 7.007 ( 1.164 -2.988 -1.457) 3.522 7.082 ( -0.368 -6.095 -0.395) 6.119 7.119 ( 1.298 -4.770 -2.085) 5.365 7.383 ( 1.917 8.248 -1.315) 8.570 7.673 ( -0.445 3.683 -5.891) 6.962 7.853 ( -8.064 4.000 5.062) 10.328 7.875 ( -5.007 -1.413 7.000) 8.722 8.433 ( -3.338 14.695 -1.453) 15.139 8.725 ( -6.332 -2.741 12.914) 14.641 8.865 ( -0.745 -1.175 -1.281) 1.891 9.060 ( -2.641 1.237 3.381) 4.465 9.304 ( 1.493 5.091 -0.044) 5.306 9.693 ( 0.730 -8.849 -7.665) 11.730 9.726 ( -1.500 9.192 -0.961) 9.363 9.936 ( 0.428 -5.334 -2.242) 5.802 10.052 ( 1.775 -1.639 -7.072) 7.474 10.207 ( 2.586 2.334 -9.137) 9.779 10.302 ( -1.919 -3.907 4.259) 6.089 10.613 ( 1.657 -6.599 -2.367) 7.204 10.785 ( -7.659 -4.395 10.544) 13.753 10.922 ( -9.754 -2.593 10.626) 14.655 11.003 ( -13.574 14.507 3.847) 20.236 11.425 ( 0.530 1.647 2.354) 2.921 11.608 ( -2.236 0.906 -2.176) 3.249 11.666 ( 1.856 -3.416 1.544) 4.183 11.745 ( 3.676 0.611 -5.710) 6.818 12.018 ( 1.873 -9.126 -4.410) 10.307 13.035 ( 0.728 -1.334 -2.189) 2.664 13.093 ( -5.222 -1.541 2.647) 6.054 14.255 ( -1.266 0.366 1.500) 1.997 14.309 ( -1.566 -0.344 2.379) 2.869 14.416 ( -1.904 3.107 1.052) 3.793 14.633 ( 2.859 -3.030 -2.268) 4.744 14.964 ( 11.513 6.265 -7.268) 14.988 15.296 ( 2.819 -4.159 -9.948) 11.145 16.002 ( -2.878 0.954 0.839) 3.145 16.139 ( -5.716 -5.040 2.431) 7.999 16.301 ( -2.767 10.291 0.971) 10.701 16.739 ( -9.780 -6.138 -0.116) 11.547 17.715 ( -2.979 2.699 3.885) 5.591 17.849 ( 1.222 -2.678 2.027) 3.574 18.166 ( 0.269 2.494 0.458) 2.550 18.235 ( 1.065 -0.367 0.595) 1.274 18.688 ( -1.593 3.609 0.068) 3.946 18.921 ( -2.007 -5.266 4.511) 7.218 19.671 ( 5.942 2.542 2.438) 6.907 19.752 ( 3.511 2.933 2.462) 5.196 20.044 ( 0.100 2.077 2.638) 3.359 20.268 ( 2.907 -6.311 -0.651) 6.979 20.443 ( -1.325 2.144 -2.745) 3.727 20.522 ( -2.760 -1.320 -2.010) 3.661 ======================= Grid point 56 (27/87) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.463 -6.489 8.123) 10.407 0.632 ( 3.868 -3.650 0.147) 5.320 0.669 ( -0.955 -1.528 3.605) 4.030 0.853 ( -0.378 -0.868 -1.199) 1.528 0.909 ( 0.777 -3.873 0.565) 3.990 0.923 ( -1.791 0.141 -0.272) 1.817 0.975 ( 0.107 -0.674 -0.216) 0.716 1.032 ( -0.403 2.570 2.746) 3.782 1.048 ( -1.288 -2.682 0.592) 3.033 1.170 ( 1.410 0.421 0.041) 1.473 1.181 ( -1.404 1.760 1.395) 2.648 1.222 ( 2.381 1.180 -2.543) 3.678 1.276 ( 0.233 1.761 0.151) 1.782 1.311 ( 1.149 0.500 0.490) 1.346 1.352 ( -0.624 -0.809 -0.712) 1.245 1.389 ( -1.896 0.507 0.298) 1.985 1.421 ( -0.276 -1.029 1.015) 1.472 1.500 ( 0.281 1.788 2.615) 3.180 1.566 ( 1.067 -1.060 -2.303) 2.750 1.711 ( -0.273 -3.673 5.865) 6.925 1.781 ( -0.737 -0.584 1.398) 1.684 1.907 ( 0.223 0.946 -3.718) 3.843 1.928 ( 0.221 -3.564 -0.438) 3.597 1.963 ( -1.506 0.143 -0.864) 1.742 2.054 ( 4.098 -1.948 -4.829) 6.626 2.159 ( 4.093 -4.442 -1.843) 6.315 2.254 ( 2.569 0.996 -0.838) 2.880 2.344 ( -1.805 -1.849 3.047) 3.995 2.436 ( 0.924 0.144 -1.101) 1.445 2.548 ( -0.414 -4.119 -1.021) 4.263 2.784 ( 0.093 5.550 0.842) 5.614 2.923 ( -0.247 -6.241 0.036) 6.246 2.946 ( -1.916 3.273 6.679) 7.681 3.186 ( -0.928 0.975 2.453) 2.798 3.255 ( -3.507 2.150 5.021) 6.491 3.596 ( 0.255 2.902 -0.568) 2.968 3.695 ( -0.191 8.069 -2.637) 8.491 3.825 ( 1.484 -2.039 -2.381) 3.469 3.852 ( -0.310 -2.383 -2.206) 3.262 3.996 ( -0.421 -7.493 1.704) 7.696 4.085 ( 0.422 7.337 -2.865) 7.888 4.156 ( -0.240 3.076 2.416) 3.918 4.323 ( 0.084 8.435 -6.242) 10.493 4.552 ( -2.946 1.927 6.955) 7.795 4.858 ( -1.278 -0.989 1.214) 2.021 5.043 ( -1.991 2.855 0.237) 3.489 5.062 ( -1.002 2.003 2.539) 3.386 5.286 ( 1.262 -4.632 -3.069) 5.698 5.372 ( -1.054 1.024 2.152) 2.606 5.498 ( 0.205 -3.389 -0.604) 3.449 5.693 ( 0.925 4.641 -3.008) 5.607 5.729 ( 0.162 0.911 0.249) 0.959 5.964 ( 3.883 11.609 -3.831) 12.827 6.126 ( -0.066 2.821 -1.527) 3.208 6.505 ( -1.768 5.688 2.484) 6.454 6.693 ( -0.067 8.305 -0.286) 8.311 6.745 ( -0.678 5.269 3.191) 6.197 7.009 ( 0.885 -1.324 -2.533) 2.992 7.073 ( -0.456 -7.124 -0.116) 7.140 7.125 ( 1.186 -5.072 -1.774) 5.502 7.408 ( 2.302 7.235 -2.111) 7.881 7.605 ( -2.641 8.254 -3.298) 9.273 7.781 ( -4.512 2.180 4.936) 7.034 7.859 ( -2.945 -2.034 4.856) 6.033 8.395 ( -0.224 9.040 -0.858) 9.083 8.713 ( -6.671 -2.153 12.726) 14.528 8.844 ( -0.112 -3.498 -2.274) 4.174 9.047 ( -2.358 1.802 4.688) 5.548 9.318 ( 0.721 4.827 -1.454) 5.093 9.681 ( 1.369 -4.690 -1.162) 5.022 9.703 ( 0.392 3.308 -0.880) 3.445 9.930 ( 2.667 -3.963 -6.266) 7.879 10.024 ( 1.183 -1.620 -6.015) 6.341 10.172 ( 1.699 -0.506 -8.794) 8.971 10.311 ( -0.206 -1.830 2.806) 3.357 10.577 ( -4.872 -2.961 1.214) 5.829 10.762 ( -4.373 -8.044 4.809) 10.342 10.775 ( -9.985 -1.942 8.290) 13.123 10.927 ( -3.153 9.385 6.146) 11.653 11.429 ( -0.960 -1.456 0.041) 1.745 11.563 ( -0.959 1.711 -1.841) 2.691 11.710 ( 1.212 -2.262 1.752) 3.108 11.769 ( 4.461 1.376 -5.944) 7.558 11.994 ( -0.827 -5.685 -2.539) 6.281 13.017 ( -1.491 -1.981 1.446) 2.871 13.077 ( 0.331 -4.510 0.445) 4.544 14.243 ( -1.536 0.126 1.728) 2.316 14.306 ( -1.059 -1.192 2.319) 2.814 14.401 ( -0.676 1.967 0.428) 2.124 14.653 ( 1.337 -5.679 -2.051) 6.184 15.092 ( 9.171 3.965 -6.158) 11.737 15.292 ( 4.632 -2.041 -7.460) 9.015 15.971 ( -1.752 1.174 1.643) 2.673 16.087 ( -3.801 -5.526 5.854) 8.902 16.265 ( -2.090 8.726 0.402) 8.982 16.599 ( -6.294 -2.945 1.316) 7.072 17.703 ( -1.602 3.814 2.601) 4.887 17.877 ( 0.462 -3.585 0.821) 3.706 18.172 ( 0.215 3.016 -0.254) 3.035 18.252 ( 0.455 -0.515 0.127) 0.699 18.681 ( 0.543 3.266 0.085) 3.312 18.913 ( -2.117 -5.803 2.314) 6.596 19.766 ( 0.925 3.680 5.004) 6.280 19.819 ( 2.568 2.572 1.751) 4.034 20.055 ( -0.514 3.380 1.308) 3.660 20.315 ( 3.657 -4.681 -1.875) 6.229 20.399 ( -1.346 0.164 -2.417) 2.771 20.460 ( -1.924 -1.279 -2.382) 3.318 ======================= Grid point 57 (28/87) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -3.193 -5.224 5.694) 8.361 0.642 ( -1.838 -6.384 -1.580) 6.829 0.695 ( -0.921 2.338 5.552) 6.094 0.836 ( -0.053 1.102 -1.578) 1.925 0.888 ( -1.272 0.166 -1.719) 2.144 0.920 ( 0.027 -2.365 0.774) 2.488 0.962 ( -0.295 -0.025 -1.535) 1.563 1.034 ( -0.520 -2.677 3.095) 4.125 1.063 ( 0.578 -1.342 0.984) 1.761 1.161 ( -1.113 1.827 0.361) 2.169 1.203 ( 0.042 -0.032 2.647) 2.648 1.244 ( 2.243 2.460 -2.555) 4.196 1.275 ( 0.129 2.967 -0.336) 2.989 1.325 ( -0.813 -1.227 0.988) 1.773 1.349 ( 0.647 -0.680 -0.065) 0.941 1.371 ( -0.010 0.297 0.876) 0.925 1.417 ( -1.140 -0.673 0.499) 1.415 1.512 ( -1.469 0.413 3.046) 3.407 1.559 ( 0.629 -0.267 -2.975) 3.052 1.732 ( -2.840 -5.469 4.654) 7.722 1.763 ( -1.425 -0.707 0.471) 1.659 1.868 ( -0.186 -3.271 -4.488) 5.557 1.932 ( 0.512 1.822 -1.177) 2.229 1.942 ( 0.311 0.542 -0.932) 1.122 2.078 ( 2.701 -0.113 -4.207) 5.001 2.209 ( 1.943 -3.942 0.075) 4.395 2.279 ( 1.454 -1.675 -2.360) 3.239 2.349 ( -0.986 -2.827 4.439) 5.354 2.407 ( -1.306 1.318 -4.623) 4.981 2.523 ( -1.566 -3.096 -1.514) 3.785 2.798 ( 0.068 5.344 1.420) 5.529 2.924 ( 0.054 -5.373 1.216) 5.509 2.958 ( -2.740 3.807 6.253) 7.817 3.191 ( -0.702 0.246 2.266) 2.385 3.248 ( -1.962 1.086 5.390) 5.838 3.592 ( 0.155 3.271 -1.413) 3.566 3.679 ( 0.642 8.917 -2.064) 9.175 3.817 ( 0.861 -4.184 -4.097) 5.919 3.855 ( 1.236 -1.185 0.042) 1.713 4.002 ( -0.003 -4.923 0.458) 4.945 4.072 ( 0.597 6.197 -2.590) 6.743 4.173 ( -0.422 0.649 3.004) 3.102 4.279 ( 0.395 8.143 -5.328) 9.739 4.564 ( -1.625 1.248 5.716) 6.072 4.852 ( -0.351 -0.828 0.716) 1.150 5.011 ( -1.897 4.351 1.465) 4.968 5.065 ( -0.609 1.777 1.513) 2.412 5.293 ( 1.783 -3.653 -1.961) 4.514 5.375 ( -0.443 0.074 2.124) 2.170 5.493 ( 0.119 -3.569 -1.065) 3.726 5.703 ( 2.027 6.307 -1.366) 6.764 5.746 ( 0.994 0.049 1.431) 1.743 6.010 ( 4.006 9.682 -2.769) 10.838 6.125 ( 1.431 0.532 -0.835) 1.740 6.499 ( -1.248 7.533 2.927) 8.177 6.694 ( 0.477 8.680 -0.020) 8.693 6.760 ( -0.759 4.865 3.633) 6.119 7.001 ( 0.943 -0.349 -3.310) 3.460 7.064 ( -0.473 -7.913 -0.161) 7.929 7.133 ( 1.192 -4.642 -1.473) 5.013 7.424 ( 1.927 7.660 -3.451) 8.619 7.542 ( -2.127 11.239 -1.203) 11.502 7.758 ( -2.004 0.724 2.952) 3.640 7.850 ( -2.214 -1.738 4.425) 5.245 8.403 ( 1.485 8.225 -0.151) 8.359 8.696 ( -6.657 -1.945 12.517) 14.310 8.827 ( 0.377 -5.138 -2.368) 5.670 9.057 ( -0.966 3.273 5.293) 6.298 9.306 ( -0.359 4.025 -2.164) 4.584 9.688 ( 0.001 9.118 0.922) 9.164 9.753 ( 4.309 -10.339 1.082) 11.253 9.921 ( 4.095 -2.053 -11.285) 12.179 10.009 ( 2.094 -2.859 -4.333) 5.598 10.135 ( 1.352 -3.570 -6.617) 7.639 10.335 ( 0.613 0.981 1.947) 2.264 10.498 ( -3.822 -0.777 -0.405) 3.921 10.650 ( -6.705 0.379 3.729) 7.681 10.778 ( -3.502 -10.650 8.248) 13.918 10.950 ( 0.482 6.371 5.443) 8.394 11.407 ( -0.745 -2.628 -1.403) 3.071 11.535 ( -0.396 1.871 -2.525) 3.168 11.726 ( -0.820 -0.498 1.587) 1.854 11.804 ( 4.500 0.189 -5.906) 7.428 11.968 ( 0.070 -4.006 -1.164) 4.172 13.014 ( -0.651 -3.493 1.953) 4.055 13.087 ( 0.443 -5.136 0.600) 5.190 14.231 ( -1.324 -0.026 1.570) 2.054 14.305 ( -1.109 -1.772 2.164) 3.009 14.397 ( -0.193 1.747 0.240) 1.774 14.647 ( 0.210 -7.138 -2.595) 7.598 15.188 ( 6.489 3.990 -3.892) 8.554 15.336 ( 6.377 1.309 -5.760) 8.692 15.969 ( -0.553 2.322 3.083) 3.899 16.101 ( -0.980 -5.712 8.109) 9.967 16.233 ( -1.754 7.561 0.174) 7.764 16.551 ( -0.711 -2.576 2.225) 3.477 17.698 ( -1.363 3.677 2.712) 4.768 17.874 ( -1.045 -3.762 -0.198) 3.909 18.168 ( -0.229 3.047 -0.857) 3.173 18.251 ( -0.389 -0.620 -0.432) 0.850 18.701 ( 1.098 2.311 0.827) 2.689 18.884 ( -2.175 -4.907 0.093) 5.368 19.786 ( -2.603 3.948 4.879) 6.795 19.859 ( -0.502 0.817 2.636) 2.805 20.049 ( -1.011 4.932 0.410) 5.051 20.357 ( -1.252 -0.932 -2.160) 2.665 20.364 ( 3.545 -3.988 -2.075) 5.725 20.430 ( 0.980 -1.261 -2.624) 3.072 ======================= Grid point 58 (29/87) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -7.077 -1.410 0.007) 7.216 0.581 ( -4.874 -1.440 2.892) 5.847 0.691 ( -4.541 1.669 5.069) 7.007 0.831 ( 0.594 1.977 -0.944) 2.270 0.863 ( 0.136 0.489 -1.306) 1.401 0.925 ( -0.278 -0.651 0.278) 0.761 0.964 ( 1.174 -2.121 1.148) 2.683 1.054 ( -0.881 -4.845 3.529) 6.059 1.074 ( 0.920 1.068 -0.873) 1.659 1.143 ( -0.918 0.991 -0.105) 1.355 1.204 ( -1.588 -0.078 1.812) 2.411 1.254 ( 0.407 3.554 -0.964) 3.705 1.284 ( 1.389 3.992 -1.564) 4.507 1.317 ( -1.572 0.278 2.520) 2.983 1.354 ( -0.153 -1.392 0.443) 1.468 1.397 ( -0.115 -1.893 -0.813) 2.063 1.398 ( 1.298 0.090 1.185) 1.759 1.500 ( -2.632 0.026 3.226) 4.164 1.546 ( 0.602 -1.014 -2.604) 2.859 1.690 ( -3.577 -5.993 1.461) 7.131 1.753 ( -0.567 -2.072 1.115) 2.421 1.835 ( -0.036 -3.665 -3.658) 5.178 1.924 ( 0.429 2.766 -2.473) 3.735 1.957 ( 1.778 0.551 -0.795) 2.024 2.086 ( 1.511 0.920 -2.716) 3.241 2.210 ( -2.323 -0.421 1.164) 2.632 2.284 ( 0.623 -6.109 -1.892) 6.425 2.328 ( -1.350 0.609 -6.683) 6.845 2.365 ( -1.724 -3.121 3.393) 4.922 2.469 ( -2.919 -3.405 -1.638) 4.775 2.800 ( -0.928 6.398 0.794) 6.513 2.925 ( -2.037 -0.608 2.336) 3.158 2.969 ( -1.548 1.257 6.678) 6.969 3.197 ( -0.755 -1.320 2.291) 2.750 3.273 ( -0.611 -1.446 6.248) 6.442 3.582 ( 0.677 3.981 -2.661) 4.836 3.684 ( 1.361 8.295 -1.306) 8.507 3.803 ( 0.946 -3.620 -2.981) 4.784 3.882 ( 2.030 -1.504 -0.812) 2.654 4.001 ( 0.062 -3.170 -0.962) 3.314 4.065 ( 0.824 5.716 -2.349) 6.234 4.185 ( -0.821 1.272 2.534) 2.952 4.257 ( 1.786 6.502 -4.637) 8.184 4.589 ( -0.192 -0.602 4.929) 4.969 4.854 ( 0.899 -1.324 -1.283) 2.051 5.011 ( -0.611 6.014 4.259) 7.395 5.065 ( -0.342 1.474 0.659) 1.650 5.309 ( 1.149 -1.620 -0.812) 2.145 5.391 ( 0.032 -0.615 2.393) 2.471 5.485 ( 0.256 -3.443 -1.781) 3.885 5.726 ( 1.491 8.091 -0.973) 8.284 5.791 ( 2.998 -0.219 0.967) 3.158 6.043 ( 2.972 6.890 -4.817) 8.916 6.171 ( 4.117 -2.957 -0.334) 5.080 6.509 ( -0.941 8.183 4.086) 9.195 6.710 ( 1.007 9.332 0.205) 9.388 6.778 ( -0.348 4.082 3.710) 5.527 6.989 ( 0.787 -0.457 -3.666) 3.778 7.059 ( 0.273 -7.717 -0.009) 7.722 7.142 ( 1.094 -3.845 -1.603) 4.307 7.420 ( 1.011 9.894 -4.058) 10.741 7.541 ( 3.535 14.976 1.094) 15.426 7.754 ( -1.669 0.981 3.946) 4.395 7.855 ( -1.002 -2.148 3.866) 4.535 8.444 ( 2.850 11.814 1.002) 12.194 8.683 ( -6.147 -2.031 12.343) 13.937 8.823 ( 1.130 -4.827 -1.423) 5.158 9.097 ( 0.597 5.084 5.577) 7.570 9.273 ( -1.176 3.760 -2.471) 4.650 9.704 ( 0.969 10.276 0.895) 10.361 9.837 ( 4.910 -6.988 -3.890) 9.385 9.911 ( 4.282 -2.378 -6.459) 8.107 10.021 ( 3.386 -4.799 -5.622) 8.130 10.122 ( 2.296 -5.356 -4.202) 7.184 10.354 ( -0.776 2.226 2.812) 3.670 10.453 ( 1.712 2.623 -5.863) 6.647 10.588 ( -4.246 -0.072 4.501) 6.188 10.781 ( -3.659 -10.127 9.140) 14.124 11.024 ( 2.873 5.749 5.203) 8.269 11.376 ( -1.387 0.104 -2.127) 2.541 11.517 ( 1.244 -1.555 -3.218) 3.785 11.715 ( -1.568 0.382 1.563) 2.247 11.819 ( 2.518 0.492 -5.574) 6.136 11.985 ( 2.474 -4.683 -0.909) 5.374 13.009 ( -1.545 -4.726 0.578) 5.006 13.117 ( 2.384 -5.125 2.009) 5.999 14.223 ( -0.752 -0.025 1.002) 1.253 14.301 ( -1.376 -1.901 2.155) 3.186 14.400 ( 0.342 1.772 0.363) 1.841 14.623 ( -0.112 -6.910 -3.139) 7.591 15.258 ( 3.943 5.347 -1.551) 6.822 15.419 ( 7.923 4.099 -5.169) 10.310 16.003 ( 0.692 3.894 5.441) 6.726 16.180 ( 2.305 -3.048 7.655) 8.555 16.215 ( -0.897 5.421 2.406) 5.998 16.598 ( 3.872 -4.435 1.560) 6.090 17.705 ( -1.183 2.208 5.444) 5.992 17.840 ( -2.324 -3.185 -0.753) 4.015 18.152 ( -0.537 2.606 -1.185) 2.913 18.231 ( -1.199 -0.666 -1.061) 1.734 18.727 ( 0.812 1.263 1.134) 1.882 18.848 ( -1.453 -3.403 -0.424) 3.724 19.766 ( -3.956 2.953 5.002) 7.027 19.840 ( -3.987 0.120 2.643) 4.785 20.023 ( -2.347 4.855 0.626) 5.429 20.308 ( -2.436 -5.437 -2.525) 6.470 20.411 ( 3.691 -0.176 -2.224) 4.313 20.451 ( 3.689 -0.971 -2.728) 4.689 ======================= Grid point 59 (30/87) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( -7.765 2.201 -1.304) 8.176 0.518 ( -6.373 3.213 5.099) 8.771 0.635 ( -6.551 7.628 7.430) 12.502 0.842 ( 0.402 -1.169 0.400) 1.300 0.868 ( 1.530 0.741 -0.773) 1.867 0.919 ( -0.558 -0.040 0.631) 0.843 1.003 ( 0.934 -0.870 2.280) 2.613 1.050 ( -1.134 -4.458 1.728) 4.913 1.089 ( 1.283 1.098 -0.537) 1.772 1.135 ( 0.476 0.505 -0.901) 1.137 1.197 ( -0.216 0.522 0.597) 0.822 1.238 ( -1.034 2.958 -0.638) 3.198 1.285 ( 0.307 1.557 -2.264) 2.765 1.312 ( -0.849 2.256 1.868) 3.049 1.354 ( 0.147 -1.355 -0.024) 1.363 1.409 ( 0.276 -3.628 1.168) 3.821 1.427 ( 1.477 1.473 0.114) 2.089 1.484 ( -1.436 -0.477 2.934) 3.301 1.540 ( 1.042 -1.773 -2.835) 3.503 1.650 ( -1.812 -5.625 0.214) 5.913 1.757 ( -0.797 -3.428 2.199) 4.150 1.810 ( 0.857 -3.494 -3.661) 5.133 1.908 ( 0.185 2.801 -2.879) 4.021 1.982 ( 1.680 0.207 -0.942) 1.937 2.084 ( -0.429 1.547 -0.517) 1.687 2.163 ( -3.797 -0.111 1.229) 3.993 2.214 ( -2.909 -1.234 -5.673) 6.494 2.299 ( 1.079 -5.171 -4.175) 6.734 2.352 ( -2.514 -3.321 3.365) 5.355 2.407 ( -3.005 -4.461 -0.031) 5.379 2.785 ( -0.924 7.561 0.037) 7.617 2.904 ( -3.282 1.847 4.935) 6.207 2.996 ( -0.929 0.465 4.881) 4.990 3.199 ( -1.114 -2.426 2.188) 3.452 3.319 ( -0.535 -3.801 7.247) 8.200 3.575 ( 1.261 3.918 -3.304) 5.278 3.701 ( 1.565 7.333 -1.000) 7.564 3.805 ( 2.002 -2.915 -2.759) 4.485 3.907 ( 1.701 -0.550 -1.544) 2.362 3.992 ( 0.052 -3.576 -1.146) 3.756 4.065 ( 1.372 6.092 -2.190) 6.618 4.186 ( -0.663 4.443 1.285) 4.672 4.264 ( 2.471 4.079 -3.652) 6.007 4.636 ( 1.657 -3.535 3.268) 5.091 4.869 ( 2.464 -1.565 -2.036) 3.559 5.047 ( 0.309 4.292 3.934) 5.830 5.065 ( -0.747 3.671 1.908) 4.205 5.320 ( 0.809 0.114 -0.460) 0.938 5.405 ( -0.650 -0.175 1.763) 1.888 5.478 ( 0.653 -3.681 -1.693) 4.104 5.740 ( 0.625 8.316 -0.532) 8.356 5.852 ( 4.048 -0.591 -1.921) 4.519 6.040 ( 1.995 5.709 -6.407) 8.811 6.236 ( 4.427 -7.634 -3.722) 9.578 6.523 ( -1.675 6.304 4.675) 8.025 6.723 ( 0.396 8.561 0.042) 8.570 6.798 ( -0.442 2.779 1.321) 3.108 6.971 ( 0.771 -1.156 -3.401) 3.674 7.080 ( 1.760 -6.940 0.418) 7.171 7.141 ( 0.193 -3.920 -1.615) 4.244 7.401 ( 0.653 12.497 -3.754) 13.065 7.684 ( 9.000 7.276 -5.077) 12.638 7.805 ( 4.560 7.843 12.536) 15.475 7.877 ( 0.267 -2.509 4.742) 5.371 8.527 ( 5.195 17.026 2.909) 18.037 8.681 ( -5.640 -2.262 13.147) 14.483 8.860 ( 4.820 0.442 -0.153) 4.843 9.159 ( 1.042 3.546 3.725) 5.247 9.243 ( 1.260 10.215 -1.275) 10.371 9.737 ( 2.620 11.393 -0.053) 11.691 9.842 ( 4.138 -0.785 -10.930) 11.713 9.966 ( 1.892 -5.000 1.756) 5.627 10.025 ( 2.857 -5.351 -7.459) 9.614 10.149 ( 4.096 -5.135 -3.871) 7.625 10.364 ( -0.054 3.975 2.223) 4.554 10.450 ( 3.465 3.523 -7.747) 9.189 10.582 ( -0.753 0.957 6.791) 6.899 10.808 ( -1.922 -9.407 10.519) 14.242 11.122 ( 3.665 9.218 4.199) 10.771 11.330 ( -1.143 0.897 -2.410) 2.814 11.527 ( 2.243 -3.208 -2.646) 4.725 11.706 ( -0.777 1.824 1.728) 2.630 11.810 ( 1.627 1.310 -5.344) 5.738 12.017 ( 1.551 -5.681 -1.658) 6.118 12.975 ( -1.416 -2.422 -1.237) 3.066 13.212 ( 6.329 -7.892 2.714) 10.474 14.223 ( 0.305 0.191 0.169) 0.398 14.294 ( -1.217 -1.500 2.107) 2.859 14.415 ( 0.913 2.013 0.614) 2.294 14.599 ( 0.323 -5.285 -3.297) 6.237 15.297 ( 1.987 6.688 -2.034) 7.267 15.517 ( 7.882 4.042 -6.404) 10.931 16.096 ( 4.218 7.454 8.643) 12.168 16.218 ( 1.637 8.326 -1.113) 8.558 16.311 ( 2.623 -3.548 9.960) 10.894 16.697 ( 5.986 -6.360 1.464) 8.856 17.764 ( 0.264 -1.679 13.540) 13.647 17.791 ( -2.497 -2.002 -0.178) 3.205 18.134 ( -0.473 1.895 -0.933) 2.165 18.198 ( -1.385 -0.615 -1.189) 1.926 18.745 ( 0.348 1.021 1.112) 1.549 18.836 ( 0.085 -1.961 0.844) 2.137 19.721 ( -6.784 0.181 5.137) 8.511 19.772 ( -5.379 0.089 2.723) 6.030 19.990 ( -2.152 3.051 2.083) 4.275 20.214 ( -6.093 -8.340 -3.667) 10.960 20.459 ( 4.165 1.897 -3.139) 5.550 20.504 ( 4.437 -0.647 -2.468) 5.118 ======================= Grid point 60 (31/87) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -6.554 7.057 -0.662) 9.654 0.424 ( -9.107 4.633 6.527) 12.125 0.618 ( -4.749 14.138 12.900) 19.719 0.848 ( 0.652 -4.770 -0.569) 4.848 0.880 ( -1.870 -2.840 2.548) 4.249 0.923 ( 0.541 1.998 0.507) 2.131 1.027 ( 0.917 0.516 0.325) 1.101 1.066 ( 1.421 -1.673 0.503) 2.252 1.109 ( 1.667 0.882 -1.517) 2.420 1.144 ( 2.385 0.373 -2.119) 3.212 1.194 ( 0.293 2.425 -0.665) 2.532 1.230 ( -0.401 -0.147 -0.387) 0.577 1.271 ( 0.595 0.182 -1.893) 1.993 1.312 ( -0.537 3.256 0.823) 3.401 1.355 ( -0.056 -1.603 -0.098) 1.607 1.402 ( -1.583 0.142 1.093) 1.928 1.449 ( 0.817 1.634 -0.121) 1.831 1.502 ( 0.610 -3.751 1.844) 4.224 1.533 ( 1.110 -1.826 -3.640) 4.221 1.624 ( -0.913 -5.351 -0.745) 5.479 1.746 ( -2.575 -2.677 1.990) 4.214 1.811 ( 1.769 -3.309 -2.683) 4.613 1.890 ( 1.051 2.529 -3.260) 4.258 2.000 ( 1.351 -0.006 -1.005) 1.684 2.056 ( -3.788 1.136 1.640) 4.281 2.102 ( -2.855 -0.926 -0.505) 3.043 2.152 ( -0.267 -2.643 -1.203) 2.916 2.280 ( 0.481 -3.534 -3.334) 4.882 2.338 ( -1.725 -3.695 2.605) 4.839 2.387 ( -0.064 -5.536 2.989) 6.292 2.772 ( -0.391 8.443 -0.158) 8.453 2.896 ( -2.675 1.916 6.104) 6.934 3.008 ( -1.456 0.424 3.032) 3.390 3.193 ( -1.336 -1.488 1.779) 2.676 3.359 ( -1.968 -6.199 7.638) 10.032 3.575 ( 1.594 3.604 -2.901) 4.893 3.721 ( 1.490 6.067 -0.867) 6.307 3.826 ( 2.759 -1.711 -3.174) 4.540 3.913 ( 0.733 0.417 -2.032) 2.200 3.990 ( 0.286 -5.723 -0.041) 5.730 4.080 ( 2.037 6.815 -1.508) 7.271 4.183 ( -0.963 5.616 1.301) 5.845 4.280 ( 2.789 5.218 -3.744) 7.001 4.687 ( 2.153 -6.074 0.110) 6.445 4.906 ( 2.906 -1.714 -1.337) 3.629 5.056 ( 0.145 -0.816 -0.785) 1.141 5.083 ( -1.773 7.372 6.018) 9.680 5.336 ( 1.591 1.001 -0.738) 2.019 5.397 ( -0.996 -0.754 0.233) 1.271 5.478 ( 0.523 -3.863 -1.639) 4.229 5.732 ( -0.842 7.829 -1.036) 7.942 5.891 ( 3.242 -1.214 -5.175) 6.226 6.022 ( 2.138 4.934 -6.356) 8.325 6.254 ( 2.972 -6.879 -8.243) 11.140 6.526 ( -2.411 5.533 5.341) 8.059 6.728 ( 0.215 7.759 -0.117) 7.763 6.774 ( -1.744 3.841 -1.579) 4.504 6.968 ( 1.423 -1.698 -2.489) 3.333 7.107 ( 0.780 -7.422 -0.487) 7.479 7.127 ( -0.327 -3.984 -0.939) 4.106 7.385 ( 0.789 13.789 -3.436) 14.233 7.718 ( 1.667 0.440 -2.942) 3.410 7.882 ( -0.411 -2.173 2.520) 3.353 8.073 ( 8.621 -5.595 2.684) 10.623 8.629 ( 2.245 6.748 1.747) 7.323 8.704 ( -4.635 -3.617 14.999) 16.110 9.006 ( 9.609 4.360 -1.130) 10.613 9.146 ( -2.325 -3.778 -0.603) 4.477 9.339 ( 8.642 23.802 -9.201) 26.942 9.799 ( 4.061 9.137 -5.731) 11.525 9.867 ( 7.672 4.999 0.420) 9.166 9.971 ( 2.906 -5.298 -10.876) 12.442 10.015 ( -0.127 -4.483 1.134) 4.626 10.183 ( 3.273 -2.563 -4.031) 5.791 10.367 ( -1.855 5.332 0.754) 5.696 10.463 ( 6.029 1.265 -7.807) 9.945 10.705 ( 3.731 -0.905 14.592) 15.089 10.904 ( 5.402 -4.451 9.169) 11.535 11.220 ( 5.877 15.768 2.804) 17.059 11.325 ( 3.036 -0.572 -1.408) 3.396 11.545 ( 1.582 -1.393 -1.587) 2.639 11.716 ( 0.368 3.955 1.611) 4.287 11.798 ( 2.207 2.092 -5.311) 6.120 11.980 ( -4.955 -4.172 -2.565) 6.967 12.963 ( 2.992 2.392 -4.118) 5.624 13.367 ( 8.700 -12.427 0.406) 15.176 14.239 ( 1.696 0.221 -0.582) 1.806 14.298 ( 0.319 -0.741 1.332) 1.557 14.441 ( 1.889 2.636 0.280) 3.255 14.585 ( 1.084 -3.166 -3.181) 4.617 15.274 ( -1.762 7.367 -7.579) 10.716 15.544 ( 2.018 1.460 -12.050) 12.305 16.228 ( 0.044 2.091 1.477) 2.560 16.271 ( 8.633 19.044 -4.697) 21.431 16.389 ( -0.923 -3.130 4.850) 5.846 16.849 ( 8.689 -6.828 5.134) 12.185 17.758 ( -1.366 -0.766 0.965) 1.840 17.960 ( 3.777 -14.288 20.613) 25.363 18.133 ( 0.626 0.436 3.071) 3.165 18.174 ( -0.375 -0.505 0.107) 0.638 18.782 ( 1.918 1.611 6.461) 6.929 18.872 ( 2.327 -0.833 4.280) 4.942 19.593 ( -11.532 -3.093 2.334) 12.166 19.680 ( -9.962 -6.138 1.039) 11.748 19.973 ( -3.557 1.045 1.460) 3.984 20.061 ( -5.465 -2.516 2.597) 6.553 20.500 ( 3.966 2.839 -4.784) 6.832 20.559 ( 3.515 -0.621 -1.750) 3.976 ======================= Grid point 61 (32/87) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -1.004 -8.199 1.710) 8.436 0.387 ( -1.004 8.199 1.710) 8.436 0.692 ( -4.817 -7.155 4.668) 9.807 0.692 ( -4.817 7.155 4.668) 9.807 0.957 ( -1.631 -2.502 -0.784) 3.087 0.957 ( -1.631 2.502 -0.784) 3.087 1.057 ( 0.082 -3.512 -0.217) 3.519 1.057 ( 0.082 3.512 -0.217) 3.519 1.158 ( 2.026 -1.451 -2.800) 3.748 1.158 ( 2.026 1.451 -2.800) 3.748 1.226 ( 0.907 -3.262 2.031) 3.948 1.226 ( 0.907 3.262 2.031) 3.948 1.314 ( 0.071 -3.348 -1.053) 3.511 1.314 ( 0.071 3.348 -1.053) 3.511 1.372 ( -0.049 -3.141 0.947) 3.281 1.372 ( -0.049 3.141 0.947) 3.281 1.471 ( -0.538 -3.380 0.911) 3.542 1.471 ( -0.538 3.380 0.911) 3.542 1.505 ( 1.897 -2.186 -3.557) 4.585 1.505 ( 1.897 2.186 -3.557) 4.585 1.746 ( -0.003 -3.300 0.262) 3.310 1.746 ( -0.003 3.300 0.262) 3.310 1.951 ( 1.151 -2.730 -0.899) 3.096 1.951 ( 1.151 2.730 -0.899) 3.096 2.021 ( -2.819 -1.386 0.526) 3.185 2.021 ( -2.819 1.386 0.526) 3.185 2.221 ( 2.067 -4.516 1.855) 5.302 2.221 ( 2.067 4.516 1.855) 5.302 2.311 ( 1.101 -3.070 1.159) 3.461 2.311 ( 1.101 3.070 1.159) 3.461 2.902 ( -1.615 -3.991 1.173) 4.463 2.902 ( -1.615 3.991 1.173) 4.463 3.048 ( -1.487 -7.909 3.813) 8.906 3.048 ( -1.487 7.909 3.813) 8.906 3.523 ( -0.595 -11.199 2.093) 11.409 3.523 ( -0.595 11.199 2.093) 11.409 3.794 ( 0.461 -2.826 0.060) 2.864 3.794 ( 0.461 2.826 0.060) 2.864 3.883 ( 0.018 -2.229 -2.739) 3.531 3.883 ( 0.018 2.229 -2.739) 3.531 4.237 ( 2.000 -2.696 -0.614) 3.412 4.237 ( 2.000 2.696 -0.614) 3.412 4.512 ( 0.812 -9.773 -1.711) 9.955 4.512 ( 0.812 9.773 -1.711) 9.955 4.971 ( 1.874 -5.379 -3.080) 6.476 4.971 ( 1.874 5.379 -3.080) 6.476 5.233 ( -2.996 -7.439 1.523) 8.163 5.233 ( -2.996 7.439 1.523) 8.163 5.416 ( 0.358 -2.230 0.516) 2.317 5.416 ( 0.358 2.230 0.516) 2.317 5.828 ( 0.212 -3.869 -4.311) 5.796 5.828 ( 0.212 3.869 -4.311) 5.796 6.127 ( 3.260 -6.225 -6.118) 9.317 6.127 ( 3.260 6.225 -6.118) 9.317 6.710 ( -1.388 -8.666 1.955) 8.991 6.710 ( -1.388 8.666 1.955) 8.991 6.934 ( 0.907 -7.326 -0.244) 7.386 6.934 ( 0.907 7.326 -0.244) 7.386 6.982 ( -0.253 -4.333 -1.285) 4.527 6.982 ( -0.253 4.333 -1.285) 4.527 7.650 ( 1.240 -9.232 -5.097) 10.618 7.650 ( 1.240 9.232 -5.097) 10.618 7.929 ( -1.398 -8.534 2.163) 8.914 7.929 ( -1.398 8.534 2.163) 8.914 8.683 ( -2.687 -1.130 8.691) 9.167 8.683 ( -2.687 1.130 8.691) 9.167 9.070 ( -0.446 -2.831 2.392) 3.733 9.070 ( -0.446 2.831 2.392) 3.733 9.671 ( -0.421 -14.854 -15.477) 21.456 9.671 ( -0.421 14.854 -15.477) 21.456 9.895 ( -1.056 -3.422 -0.310) 3.595 9.895 ( -1.056 3.422 -0.310) 3.595 10.106 ( 2.998 -5.054 -2.634) 6.440 10.106 ( 2.998 5.054 -2.634) 6.440 10.452 ( 0.154 -4.997 -3.947) 6.370 10.452 ( 0.154 4.997 -3.947) 6.370 10.885 ( 0.500 -8.247 7.725) 11.311 10.885 ( 0.500 8.247 7.725) 11.311 11.409 ( 2.843 -6.091 2.771) 7.271 11.409 ( 2.843 6.091 2.771) 7.271 11.704 ( 5.767 -5.471 -5.340) 9.576 11.704 ( 5.767 5.471 -5.340) 9.576 11.812 ( -8.265 -3.040 0.450) 8.818 11.812 ( -8.265 3.040 0.450) 8.818 13.167 ( 3.979 -10.248 -7.787) 13.472 13.167 ( 3.979 10.248 -7.787) 13.472 14.278 ( 0.585 -1.793 0.971) 2.121 14.278 ( 0.585 1.793 0.971) 2.121 14.542 ( 2.349 -2.446 -1.885) 3.880 14.542 ( 2.349 2.446 -1.885) 3.880 15.334 ( -5.286 -9.455 -10.904) 15.370 15.334 ( -5.286 9.455 -10.904) 15.370 16.251 ( -4.860 -4.473 -2.164) 6.950 16.251 ( -4.860 4.473 -2.164) 6.950 16.704 ( 1.082 -16.323 -3.954) 16.830 16.704 ( 1.082 16.323 -3.954) 16.830 17.783 ( -3.867 -4.113 6.755) 8.803 17.783 ( -3.867 4.113 6.755) 8.803 18.171 ( 0.580 -1.130 1.612) 2.052 18.171 ( 0.580 1.130 1.612) 2.052 18.877 ( -3.416 -2.678 6.773) 8.044 18.877 ( -3.416 2.678 6.773) 8.044 19.483 ( 0.754 -4.419 0.826) 4.558 19.483 ( 0.754 4.419 0.826) 4.558 20.034 ( -0.164 -3.859 6.079) 7.203 20.034 ( -0.164 3.859 6.079) 7.203 20.560 ( 1.273 -1.758 -2.743) 3.497 20.560 ( 1.273 1.758 -2.743) 3.497 ======================= Grid point 63 (33/87) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 1.048 -8.288 2.248) 8.651 0.404 ( 1.048 8.288 2.248) 8.651 0.676 ( -0.507 -8.980 3.081) 9.508 0.676 ( -0.507 8.980 3.081) 9.508 0.919 ( -1.660 -1.637 -0.706) 2.436 0.919 ( -1.660 1.637 -0.706) 2.436 1.035 ( -2.204 -1.328 0.491) 2.620 1.035 ( -2.204 1.328 0.491) 2.620 1.150 ( 0.348 -1.088 -3.051) 3.257 1.150 ( 0.348 1.088 -3.051) 3.257 1.249 ( -0.159 -1.532 0.607) 1.656 1.249 ( -0.159 1.532 0.607) 1.656 1.298 ( -0.390 -2.898 -0.403) 2.952 1.298 ( -0.390 2.898 -0.403) 2.952 1.386 ( -0.332 -4.339 1.771) 4.698 1.386 ( -0.332 4.339 1.771) 4.698 1.468 ( -0.631 -2.079 0.399) 2.209 1.468 ( -0.631 2.079 0.399) 2.209 1.522 ( 2.443 -4.160 -1.153) 4.960 1.522 ( 2.443 4.160 -1.153) 4.960 1.765 ( 1.893 -4.151 0.695) 4.615 1.765 ( 1.893 4.151 0.695) 4.615 1.964 ( 1.121 -2.076 -2.963) 3.787 1.964 ( 1.121 2.076 -2.963) 3.787 2.005 ( 0.525 -1.960 1.366) 2.446 2.005 ( 0.525 1.960 1.366) 2.446 2.261 ( 1.369 -3.539 0.385) 3.814 2.261 ( 1.369 3.539 0.385) 3.814 2.364 ( 2.636 -4.158 3.136) 5.837 2.364 ( 2.636 4.158 3.136) 5.837 2.878 ( -2.003 -2.394 0.889) 3.246 2.878 ( -2.003 2.394 0.889) 3.246 3.050 ( -1.733 -7.796 3.846) 8.864 3.050 ( -1.733 7.796 3.846) 8.864 3.531 ( -0.623 -12.173 2.822) 12.511 3.531 ( -0.623 12.173 2.822) 12.511 3.796 ( 0.009 -2.924 -0.259) 2.936 3.796 ( 0.009 2.924 -0.259) 2.936 3.856 ( -0.614 -2.810 -2.743) 3.975 3.856 ( -0.614 2.810 -2.743) 3.975 4.261 ( 1.151 -2.394 -0.878) 2.797 4.261 ( 1.151 2.394 -0.878) 2.797 4.498 ( -0.865 -7.078 -1.439) 7.275 4.498 ( -0.865 7.078 -1.439) 7.275 4.968 ( 0.741 -5.899 -2.914) 6.621 4.968 ( 0.741 5.899 -2.914) 6.621 5.201 ( -1.949 -5.921 1.591) 6.433 5.201 ( -1.949 5.921 1.591) 6.433 5.426 ( 0.061 -2.392 0.954) 2.575 5.426 ( 0.061 2.392 0.954) 2.575 5.790 ( -0.081 -2.661 -5.036) 5.697 5.790 ( -0.081 2.661 -5.036) 5.697 6.129 ( 2.567 -6.261 -6.328) 9.265 6.129 ( 2.567 6.261 -6.328) 9.265 6.703 ( -1.095 -8.951 1.831) 9.202 6.703 ( -1.095 8.951 1.831) 9.202 6.944 ( 0.072 -9.619 0.344) 9.625 6.944 ( 0.072 9.619 0.344) 9.625 6.974 ( 0.782 -4.297 -1.551) 4.635 6.974 ( 0.782 4.297 -1.551) 4.635 7.628 ( 1.003 -9.728 -4.934) 10.954 7.628 ( 1.003 9.728 -4.934) 10.954 7.903 ( -3.244 -5.950 2.140) 7.107 7.903 ( -3.244 5.950 2.140) 7.107 8.702 ( -3.356 -0.651 8.874) 9.510 8.702 ( -3.356 0.651 8.874) 9.510 9.066 ( -2.318 -6.802 0.604) 7.212 9.066 ( -2.318 6.802 0.604) 7.212 9.531 ( -2.114 -15.355 -11.038) 19.028 9.531 ( -2.114 15.355 -11.038) 19.028 9.865 ( -1.282 -1.707 -1.429) 2.569 9.865 ( -1.282 1.707 -1.429) 2.569 10.116 ( 1.253 -5.523 -3.651) 6.738 10.116 ( 1.253 5.523 -3.651) 6.738 10.430 ( 0.883 -7.178 -3.780) 8.161 10.430 ( 0.883 7.178 -3.780) 8.161 10.897 ( -6.740 -6.506 9.503) 13.344 10.897 ( -6.740 6.506 9.503) 13.344 11.464 ( -2.669 -3.510 3.833) 5.843 11.464 ( -2.669 3.510 3.833) 5.843 11.614 ( -6.963 -7.653 -2.800) 10.719 11.614 ( -6.963 7.653 -2.800) 10.719 11.782 ( 4.807 -7.146 -3.197) 9.187 11.782 ( 4.807 7.146 -3.197) 9.187 13.118 ( -2.179 -5.699 -5.814) 8.428 13.118 ( -2.179 5.699 -5.814) 8.428 14.285 ( -0.953 -1.792 1.606) 2.588 14.285 ( -0.953 1.792 1.606) 2.588 14.555 ( -0.218 -3.087 -0.350) 3.114 14.555 ( -0.218 3.087 -0.350) 3.114 15.174 ( -1.075 -13.472 -10.713) 17.246 15.174 ( -1.075 13.472 -10.713) 17.246 16.134 ( -5.910 -4.755 -1.339) 7.703 16.134 ( -5.910 4.755 -1.339) 7.703 16.642 ( -4.229 -14.790 -2.007) 15.513 16.642 ( -4.229 14.790 -2.007) 15.513 17.772 ( -2.148 -2.163 4.820) 5.703 17.772 ( -2.148 2.163 4.820) 5.703 18.193 ( 0.753 -1.395 1.047) 1.900 18.193 ( 0.753 1.395 1.047) 1.900 18.832 ( -4.993 -4.578 4.139) 7.938 18.832 ( -4.993 4.578 4.139) 7.938 19.598 ( 8.525 -3.833 1.254) 9.431 19.598 ( 8.525 3.833 1.254) 9.431 20.087 ( 0.756 -5.116 4.885) 7.114 20.087 ( 0.756 5.116 4.885) 7.114 20.539 ( -1.184 -2.082 -2.433) 3.415 20.539 ( -1.184 2.082 -2.433) 3.415 ======================= Grid point 65 (34/87) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 1.884 -5.448 3.055) 6.524 0.453 ( 1.884 5.448 3.055) 6.524 0.712 ( 2.021 -8.779 1.679) 9.164 0.712 ( 2.021 8.779 1.679) 9.164 0.895 ( -0.688 -2.341 -0.045) 2.441 0.895 ( -0.688 2.341 -0.045) 2.441 1.002 ( -2.430 -0.824 1.751) 3.107 1.002 ( -2.430 0.824 1.751) 3.107 1.141 ( 1.158 -1.116 -2.322) 2.824 1.141 ( 1.158 1.116 -2.322) 2.824 1.234 ( -1.170 -1.104 -0.579) 1.709 1.234 ( -1.170 1.104 -0.579) 1.709 1.298 ( 0.450 -1.719 0.049) 1.778 1.298 ( 0.450 1.719 0.049) 1.778 1.375 ( -1.690 -2.081 0.407) 2.712 1.375 ( -1.690 2.081 0.407) 2.712 1.465 ( -0.234 -3.133 0.880) 3.262 1.465 ( -0.234 3.133 0.880) 3.262 1.567 ( 2.002 -4.582 1.759) 5.300 1.567 ( 2.002 4.582 1.759) 5.300 1.807 ( 1.115 -4.127 1.632) 4.576 1.807 ( 1.115 4.127 1.632) 4.576 1.958 ( 1.771 -1.837 -3.708) 4.502 1.958 ( 1.771 1.837 -3.708) 4.502 2.033 ( 1.899 -2.689 -0.770) 3.381 2.033 ( 1.899 2.689 -0.770) 3.381 2.283 ( 0.896 -3.646 0.582) 3.799 2.283 ( 0.896 3.646 0.582) 3.799 2.432 ( 2.454 -3.739 1.815) 4.827 2.432 ( 2.454 3.739 1.815) 4.827 2.851 ( -1.987 -2.111 1.547) 3.286 2.851 ( -1.987 2.111 1.547) 3.286 3.050 ( -1.441 -7.147 3.289) 7.999 3.050 ( -1.441 7.147 3.289) 7.999 3.544 ( -0.741 -12.606 2.969) 12.972 3.544 ( -0.741 12.606 2.969) 12.972 3.794 ( 0.360 -1.452 -1.020) 1.810 3.794 ( 0.360 1.452 -1.020) 1.810 3.822 ( -0.864 -1.916 -1.824) 2.782 3.822 ( -0.864 1.916 -1.824) 2.782 4.259 ( 0.023 -2.178 -2.054) 2.994 4.259 ( 0.023 2.178 -2.054) 2.994 4.468 ( -1.360 -5.205 -0.804) 5.440 4.468 ( -1.360 5.205 -0.804) 5.440 4.961 ( 0.814 -7.399 -1.921) 7.687 4.961 ( 0.814 7.399 -1.921) 7.687 5.185 ( -1.593 -5.360 1.642) 5.828 5.185 ( -1.593 5.360 1.642) 5.828 5.430 ( -0.701 -2.891 1.384) 3.281 5.430 ( -0.701 2.891 1.384) 3.281 5.750 ( -0.048 -1.171 -4.180) 4.341 5.750 ( -0.048 1.171 -4.180) 4.341 6.118 ( 2.048 -5.918 -6.232) 8.835 6.118 ( 2.048 5.918 -6.232) 8.835 6.704 ( -0.542 -9.908 1.999) 10.123 6.704 ( -0.542 9.908 1.999) 10.123 6.944 ( -0.188 -10.533 0.190) 10.537 6.944 ( -0.188 10.533 0.190) 10.537 6.982 ( 1.306 -4.125 -1.531) 4.589 6.982 ( 1.306 4.125 -1.531) 4.589 7.610 ( 1.368 -9.166 -4.654) 10.370 7.610 ( 1.368 9.166 -4.654) 10.370 7.860 ( -3.508 -2.331 2.450) 4.873 7.860 ( -3.508 2.331 2.450) 4.873 8.701 ( -4.117 -1.618 7.178) 8.432 8.701 ( -4.117 1.618 7.178) 8.432 8.989 ( -5.623 -13.264 -0.238) 14.408 8.989 ( -5.623 13.264 -0.238) 14.408 9.456 ( -0.194 -9.406 -3.191) 9.934 9.456 ( -0.194 9.406 -3.191) 9.934 9.838 ( -0.117 -2.943 -1.840) 3.472 9.838 ( -0.117 2.943 -1.840) 3.472 10.098 ( 0.603 -6.194 -4.675) 7.784 10.098 ( 0.603 6.194 -4.675) 7.784 10.422 ( 1.443 -9.312 -3.177) 9.944 10.422 ( 1.443 9.312 -3.177) 9.944 10.810 ( -12.153 -5.678 11.303) 17.541 10.810 ( -12.153 5.678 11.303) 17.541 11.336 ( -7.961 -13.614 -0.569) 15.781 11.336 ( -7.961 13.614 -0.569) 15.781 11.599 ( 1.910 -3.436 0.846) 4.021 11.599 ( 1.910 3.436 0.846) 4.021 11.836 ( 3.792 -7.332 -2.874) 8.741 11.836 ( 3.792 7.332 -2.874) 8.741 13.041 ( -2.183 -2.057 -2.630) 3.989 13.041 ( -2.183 2.057 -2.630) 3.989 14.276 ( -1.574 -1.674 1.992) 3.041 14.276 ( -1.574 1.674 1.992) 3.041 14.533 ( -2.275 -6.097 1.309) 6.638 14.533 ( -2.275 6.097 1.309) 6.638 15.143 ( 5.460 -9.415 -8.410) 13.755 15.143 ( 5.460 9.415 -8.410) 13.755 16.043 ( -4.145 -3.280 0.786) 5.344 16.043 ( -4.145 3.280 0.786) 5.344 16.549 ( -4.823 -11.402 -0.755) 12.403 16.549 ( -4.823 11.402 -0.755) 12.403 17.782 ( -0.633 -3.427 3.153) 4.700 17.782 ( -0.633 3.427 3.153) 4.700 18.214 ( 0.853 -1.718 0.518) 1.987 18.214 ( 0.853 1.718 0.518) 1.987 18.794 ( -2.360 -6.071 2.402) 6.943 18.794 ( -2.360 6.071 2.402) 6.943 19.744 ( 5.977 -3.206 2.179) 7.124 19.744 ( 5.977 3.206 2.179) 7.124 20.133 ( 1.587 -5.940 1.773) 6.399 20.133 ( 1.587 5.940 1.773) 6.399 20.486 ( -2.515 -1.960 -2.229) 3.890 20.486 ( -2.515 1.960 -2.229) 3.890 ======================= Grid point 67 (35/87) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 1.081 -3.851 2.847) 4.910 0.505 ( 1.081 3.851 2.847) 4.910 0.765 ( 2.207 -7.755 2.242) 8.369 0.765 ( 2.207 7.755 2.242) 8.369 0.890 ( -0.290 -2.983 0.741) 3.088 0.890 ( -0.290 2.983 0.741) 3.088 0.972 ( -2.440 -2.356 0.737) 3.471 0.972 ( -2.440 2.356 0.737) 3.471 1.148 ( 1.249 -4.096 -1.847) 4.664 1.148 ( 1.249 4.096 -1.847) 4.664 1.215 ( -0.381 -2.240 0.222) 2.283 1.215 ( -0.381 2.240 0.222) 2.283 1.311 ( 0.683 -1.272 0.314) 1.478 1.311 ( 0.683 1.272 0.314) 1.478 1.350 ( -1.046 -2.418 -0.072) 2.636 1.350 ( -1.046 2.418 -0.072) 2.636 1.469 ( -0.153 -3.572 0.817) 3.668 1.469 ( -0.153 3.572 0.817) 3.668 1.607 ( 0.526 -4.610 2.187) 5.129 1.607 ( 0.526 4.610 2.187) 5.129 1.815 ( -1.240 -3.611 0.724) 3.886 1.815 ( -1.240 3.611 0.724) 3.886 1.963 ( 0.819 -1.544 -1.531) 2.323 1.963 ( 0.819 1.544 -1.531) 2.323 2.064 ( 3.721 -3.261 -3.166) 5.874 2.064 ( 3.721 3.261 -3.166) 5.874 2.297 ( 0.093 -2.553 0.427) 2.590 2.297 ( 0.093 2.553 0.427) 2.590 2.469 ( 0.983 -2.888 -0.390) 3.075 2.469 ( 0.983 2.888 -0.390) 3.075 2.841 ( -1.122 -1.982 2.995) 3.763 2.841 ( -1.122 1.982 2.995) 3.763 3.052 ( -1.159 -6.250 2.625) 6.878 3.052 ( -1.159 6.250 2.625) 6.878 3.547 ( -1.227 -12.802 1.880) 12.997 3.547 ( -1.227 12.802 1.880) 12.997 3.777 ( -0.474 -3.127 -2.176) 3.839 3.777 ( -0.474 3.127 -2.176) 3.839 3.820 ( 0.994 -3.194 0.463) 3.377 3.820 ( 0.994 3.194 0.463) 3.377 4.234 ( -0.389 -3.078 -3.063) 4.360 4.234 ( -0.389 3.078 -3.063) 4.360 4.446 ( -0.588 -7.067 -0.254) 7.096 4.446 ( -0.588 7.067 -0.254) 7.096 4.964 ( 0.794 -8.405 -1.388) 8.556 4.964 ( 0.794 8.405 -1.388) 8.556 5.171 ( -1.363 -5.918 1.604) 6.281 5.171 ( -1.363 5.918 1.604) 6.281 5.424 ( -1.024 -3.193 1.129) 3.538 5.424 ( -1.024 3.193 1.129) 3.538 5.733 ( 0.835 -0.335 -1.411) 1.673 5.733 ( 0.835 0.335 -1.411) 1.673 6.106 ( 2.152 -4.417 -5.790) 7.594 6.106 ( 2.152 4.417 -5.790) 7.594 6.713 ( -0.402 -10.476 2.082) 10.688 6.713 ( -0.402 10.476 2.082) 10.688 6.943 ( -0.039 -10.670 -0.020) 10.670 6.943 ( -0.039 10.670 -0.020) 10.670 6.990 ( 1.104 -3.237 -1.731) 3.833 6.990 ( 1.104 3.237 -1.731) 3.833 7.601 ( 1.859 -7.576 -4.860) 9.191 7.601 ( 1.859 7.576 -4.860) 9.191 7.824 ( -2.793 -1.068 2.477) 3.883 7.824 ( -2.793 1.068 2.477) 3.883 8.676 ( -3.815 -5.224 4.642) 7.962 8.676 ( -3.815 5.224 4.642) 7.962 8.913 ( -4.122 -16.540 4.302) 17.581 8.913 ( -4.122 16.540 4.302) 17.581 9.448 ( 0.279 -7.683 -0.015) 7.688 9.448 ( 0.279 7.683 -0.015) 7.688 9.835 ( 1.533 -5.229 -2.131) 5.851 9.835 ( 1.533 5.229 -2.131) 5.851 10.063 ( 0.176 -6.107 -5.683) 8.344 10.063 ( 0.176 6.107 -5.683) 8.344 10.429 ( 1.664 -9.815 -2.187) 10.192 10.429 ( 1.664 9.815 -2.187) 10.192 10.687 ( -11.092 -4.172 10.813) 16.043 10.687 ( -11.092 4.172 10.813) 16.043 11.236 ( -2.959 -15.248 -1.243) 15.582 11.236 ( -2.959 15.248 -1.243) 15.582 11.634 ( 1.151 -4.448 0.385) 4.610 11.634 ( 1.151 4.448 0.385) 4.610 11.865 ( 2.120 -6.370 -2.638) 7.213 11.865 ( 2.120 6.370 -2.638) 7.213 13.003 ( -0.841 -1.492 -0.757) 1.872 13.003 ( -0.841 1.492 -0.757) 1.872 14.264 ( -1.583 -1.914 1.969) 3.170 14.264 ( -1.583 1.914 1.969) 3.170 14.508 ( -1.769 -7.101 1.613) 7.494 14.508 ( -1.769 7.101 1.613) 7.494 15.201 ( 7.027 -5.702 -5.600) 10.642 15.201 ( 7.027 5.702 -5.600) 10.642 16.003 ( -2.108 -2.355 2.700) 4.157 16.003 ( -2.108 2.355 2.700) 4.157 16.470 ( -3.534 -8.958 -0.286) 9.634 16.470 ( -3.534 8.958 -0.286) 9.634 17.792 ( -0.651 -4.295 1.844) 4.719 17.792 ( -0.651 4.295 1.844) 4.719 18.227 ( 0.370 -1.925 -0.032) 1.960 18.227 ( 0.370 1.925 -0.032) 1.960 18.781 ( -1.003 -5.970 1.349) 6.202 18.781 ( -1.003 5.970 1.349) 6.202 19.832 ( 1.578 -1.730 3.201) 3.966 19.832 ( 1.578 1.730 3.201) 3.966 20.174 ( 2.408 -7.300 -0.404) 7.698 20.174 ( 2.408 7.300 -0.404) 7.698 20.425 ( -2.032 -1.760 -2.207) 3.478 20.425 ( -2.032 1.760 -2.207) 3.478 ======================= Grid point 69 (36/87) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -1.370 -2.099 2.776) 3.741 0.526 ( -1.370 2.099 2.776) 3.741 0.822 ( 1.432 -7.106 3.510) 8.054 0.822 ( 1.432 7.106 3.510) 8.054 0.893 ( -0.442 -3.253 1.417) 3.576 0.893 ( -0.442 3.253 1.417) 3.576 0.928 ( -2.092 -2.004 -0.843) 3.017 0.928 ( -2.092 2.004 -0.843) 3.017 1.153 ( 0.791 -4.701 -1.044) 4.880 1.153 ( 0.791 4.701 -1.044) 4.880 1.220 ( 0.300 -2.766 0.029) 2.782 1.220 ( 0.300 2.766 0.029) 2.782 1.321 ( -0.229 -1.762 0.703) 1.911 1.321 ( -0.229 1.762 0.703) 1.911 1.344 ( 0.585 -2.740 0.018) 2.802 1.344 ( 0.585 2.740 0.018) 2.802 1.469 ( -0.655 -3.598 0.596) 3.705 1.469 ( -0.655 3.598 0.596) 3.705 1.610 ( -1.916 -4.627 1.302) 5.175 1.610 ( -1.916 4.627 1.302) 5.175 1.788 ( -1.306 -2.857 -0.907) 3.270 1.788 ( -1.306 2.857 -0.907) 3.270 1.962 ( 0.273 -0.158 -0.541) 0.626 1.962 ( 0.273 0.158 -0.541) 0.626 2.106 ( 3.356 -3.482 -2.767) 5.572 2.106 ( 3.356 3.482 -2.767) 5.572 2.291 ( -1.033 -2.072 -0.040) 2.316 2.291 ( -1.033 2.072 -0.040) 2.316 2.457 ( -1.153 -3.066 -2.189) 3.940 2.457 ( -1.153 3.066 -2.189) 3.940 2.859 ( -0.296 -1.415 4.433) 4.663 2.859 ( -0.296 1.415 4.433) 4.663 3.049 ( -1.325 -5.937 2.083) 6.429 3.049 ( -1.325 5.937 2.083) 6.429 3.533 ( -1.351 -13.034 0.869) 13.132 3.533 ( -1.351 13.034 0.869) 13.132 3.757 ( 0.101 -3.584 -1.817) 4.020 3.757 ( 0.101 3.584 -1.817) 4.020 3.848 ( 1.306 -4.596 1.119) 4.907 3.848 ( 1.306 4.596 1.119) 4.907 4.204 ( 0.234 -3.626 -3.537) 5.071 4.204 ( 0.234 3.626 -3.537) 5.071 4.442 ( 0.249 -8.561 -0.208) 8.567 4.442 ( 0.249 8.561 -0.208) 8.567 4.961 ( 0.437 -8.382 -2.255) 8.691 4.961 ( 0.437 8.382 -2.255) 8.691 5.172 ( -0.255 -7.091 2.886) 7.660 5.172 ( -0.255 7.091 2.886) 7.660 5.417 ( -0.616 -3.145 0.778) 3.298 5.417 ( -0.616 3.145 0.778) 3.298 5.757 ( 1.927 -0.272 0.983) 2.180 5.757 ( 1.927 0.272 0.983) 2.180 6.102 ( 2.682 -2.632 -5.818) 6.926 6.102 ( 2.682 2.632 -5.818) 6.926 6.720 ( -0.704 -10.746 2.244) 11.000 6.720 ( -0.704 10.746 2.244) 11.000 6.941 ( -0.075 -9.484 -0.204) 9.486 6.941 ( -0.075 9.484 -0.204) 9.486 6.993 ( 1.066 -2.269 -2.146) 3.300 6.993 ( 1.066 2.269 -2.146) 3.300 7.599 ( 2.659 -5.971 -5.174) 8.336 7.599 ( 2.659 5.971 -5.174) 8.336 7.805 ( -1.679 -2.188 2.696) 3.857 7.805 ( -1.679 2.188 2.696) 3.857 8.655 ( -2.724 -5.122 4.611) 7.410 8.655 ( -2.724 5.122 4.611) 7.410 8.919 ( -0.313 -18.696 6.517) 19.802 8.919 ( -0.313 18.696 6.517) 19.802 9.463 ( 1.339 -11.729 0.772) 11.831 9.463 ( 1.339 11.729 0.772) 11.831 9.852 ( 2.359 -6.287 -2.679) 7.229 9.852 ( 2.359 6.287 -2.679) 7.229 10.018 ( -0.022 -5.661 -5.534) 7.917 10.018 ( -0.022 5.661 -5.534) 7.917 10.441 ( 1.530 -6.951 -1.874) 7.360 10.441 ( 1.530 6.951 -1.874) 7.360 10.613 ( -6.666 -2.387 9.526) 11.870 10.613 ( -6.666 2.387 9.526) 11.870 11.204 ( 0.546 -14.184 -1.519) 14.276 11.204 ( 0.546 14.184 -1.519) 14.276 11.637 ( -0.794 -6.401 -0.517) 6.471 11.637 ( -0.794 6.401 -0.517) 6.471 11.877 ( 1.712 -4.922 -2.305) 5.698 11.877 ( 1.712 4.922 -2.305) 5.698 12.993 ( -0.035 -2.243 -0.122) 2.246 12.993 ( -0.035 2.243 -0.122) 2.246 14.253 ( -1.402 -2.219 1.759) 3.159 14.253 ( -1.402 2.219 1.759) 3.159 14.495 ( -1.010 -6.722 1.178) 6.899 14.495 ( -1.010 6.722 1.178) 6.899 15.290 ( 6.905 -4.795 -2.747) 8.844 15.290 ( 6.905 4.795 -2.747) 8.844 16.012 ( -0.317 -2.468 4.919) 5.513 16.012 ( -0.317 2.468 4.919) 5.513 16.428 ( -0.804 -8.810 -0.415) 8.856 16.428 ( -0.804 8.810 -0.415) 8.856 17.786 ( -1.389 -4.393 1.218) 4.766 17.786 ( -1.389 4.393 1.218) 4.766 18.224 ( -0.384 -2.042 -0.689) 2.189 18.224 ( -0.384 2.042 -0.689) 2.189 18.776 ( -0.638 -4.687 0.815) 4.800 18.776 ( -0.638 4.687 0.815) 4.800 19.853 ( -1.850 -1.795 3.130) 4.055 19.853 ( -1.850 1.795 3.130) 4.055 20.197 ( 0.196 -8.377 -0.917) 8.429 20.197 ( 0.196 8.377 -0.917) 8.429 20.395 ( 1.063 -1.845 -2.236) 3.087 20.395 ( 1.063 1.845 -2.236) 3.087 ======================= Grid point 71 (37/87) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -3.987 -2.093 3.004) 5.413 0.501 ( -3.987 2.093 3.004) 5.413 0.846 ( -0.776 -7.219 0.950) 7.323 0.846 ( -0.776 7.219 0.950) 7.323 0.902 ( 0.112 -2.162 0.600) 2.247 0.902 ( 0.112 2.162 0.600) 2.247 0.916 ( -0.039 -1.258 4.063) 4.254 0.916 ( -0.039 1.258 4.063) 4.254 1.156 ( 0.060 -1.697 -0.177) 1.707 1.156 ( 0.060 1.697 -0.177) 1.707 1.220 ( 0.603 -5.343 -1.876) 5.694 1.220 ( 0.603 5.343 -1.876) 5.694 1.320 ( -0.319 -1.800 0.701) 1.958 1.320 ( -0.319 1.800 0.701) 1.958 1.358 ( 0.031 -1.822 0.431) 1.873 1.358 ( 0.031 1.822 0.431) 1.873 1.456 ( -0.844 -3.334 0.366) 3.458 1.456 ( -0.844 3.334 0.366) 3.458 1.574 ( -2.279 -3.642 0.292) 4.306 1.574 ( -2.279 3.642 0.292) 4.306 1.763 ( -0.613 -2.482 -1.066) 2.770 1.763 ( -0.613 2.482 -1.066) 2.770 1.965 ( 0.702 -0.664 -1.104) 1.467 1.965 ( 0.702 0.664 -1.104) 1.467 2.132 ( 1.460 -4.092 -1.222) 4.513 2.132 ( 1.460 4.092 -1.222) 4.513 2.260 ( -2.307 -3.151 -0.355) 3.922 2.260 ( -2.307 3.151 -0.355) 3.922 2.399 ( -2.756 -3.480 -2.992) 5.354 2.399 ( -2.756 3.480 -2.992) 5.354 2.891 ( -0.503 -1.753 4.699) 5.040 2.891 ( -0.503 1.753 4.699) 5.040 3.041 ( -1.387 -6.164 2.011) 6.630 3.041 ( -1.387 6.164 2.011) 6.630 3.520 ( -0.930 -12.633 0.938) 12.702 3.520 ( -0.930 12.633 0.938) 12.702 3.751 ( 0.815 -2.639 -1.700) 3.243 3.751 ( 0.815 2.639 -1.700) 3.243 3.878 ( 1.029 -4.300 0.885) 4.510 3.878 ( 1.029 4.300 0.885) 4.510 4.189 ( 1.300 -3.858 -3.565) 5.411 4.189 ( 1.300 3.858 -3.565) 5.411 4.449 ( 0.998 -9.396 -0.580) 9.467 4.449 ( 0.998 9.396 -0.580) 9.467 4.948 ( 0.875 -8.159 -3.303) 8.845 4.948 ( 0.875 8.159 -3.303) 8.845 5.208 ( 0.520 -7.890 4.742) 9.220 5.208 ( 0.520 7.890 4.742) 9.220 5.415 ( -0.253 -2.723 0.617) 2.803 5.415 ( -0.253 2.723 0.617) 2.803 5.803 ( 1.996 -1.163 1.131) 2.573 5.803 ( 1.996 1.163 1.131) 2.573 6.107 ( 3.398 -2.318 -6.459) 7.658 6.107 ( 3.398 2.318 -6.459) 7.658 6.723 ( -1.185 -10.800 2.613) 11.174 6.723 ( -1.185 10.800 2.613) 11.174 6.935 ( -0.304 -7.987 -0.629) 8.018 6.935 ( -0.304 7.987 -0.629) 8.018 6.996 ( 1.345 -4.864 -2.332) 5.559 6.996 ( 1.345 4.864 -2.332) 5.559 7.616 ( 4.003 -6.237 -5.214) 9.061 7.616 ( 4.003 6.237 -5.214) 9.061 7.811 ( -0.483 -1.818 3.645) 4.102 7.811 ( -0.483 1.818 3.645) 4.102 8.650 ( -2.604 -2.906 5.490) 6.735 8.650 ( -2.604 2.906 5.490) 6.735 8.992 ( 2.473 -17.517 5.192) 18.436 8.992 ( 2.473 17.517 5.192) 18.436 9.528 ( 6.015 -18.806 1.094) 19.775 9.528 ( 6.015 18.806 1.094) 19.775 9.872 ( 2.681 -6.210 -3.247) 7.503 9.872 ( 2.681 6.210 -3.247) 7.503 9.982 ( 0.408 -5.984 -3.958) 7.186 9.982 ( 0.408 5.984 -3.958) 7.186 10.458 ( 2.714 -4.880 -2.733) 6.217 10.458 ( 2.714 4.880 -2.733) 6.217 10.594 ( -4.028 -4.745 8.530) 10.560 10.594 ( -4.028 4.745 8.530) 10.560 11.232 ( 3.897 -11.937 -1.413) 12.636 11.232 ( 3.897 11.937 -1.413) 12.636 11.604 ( -1.801 -8.620 -1.132) 8.879 11.604 ( -1.801 8.620 -1.132) 8.879 11.890 ( 1.417 -4.665 -1.361) 5.062 11.890 ( 1.417 4.665 -1.361) 5.062 12.998 ( 1.057 -3.891 -0.687) 4.090 12.998 ( 1.057 3.891 -0.687) 4.090 14.244 ( -1.035 -2.276 1.449) 2.890 14.244 ( -1.035 2.276 1.449) 2.890 14.492 ( -0.107 -5.795 0.480) 5.816 14.492 ( -0.107 5.795 0.480) 5.816 15.392 ( 6.143 -5.625 -1.015) 8.391 15.392 ( 6.143 5.625 -1.015) 8.391 16.075 ( 1.761 -4.020 8.257) 9.351 16.075 ( 1.761 4.020 8.257) 9.351 16.436 ( 2.481 -10.700 -1.482) 11.083 16.436 ( 2.481 10.700 -1.482) 11.083 17.767 ( -2.074 -3.435 1.882) 4.432 17.767 ( -2.074 3.435 1.882) 4.432 18.204 ( -1.015 -1.981 -1.260) 2.558 18.204 ( -1.015 1.981 -1.260) 2.558 18.773 ( -0.390 -3.148 1.069) 3.348 18.773 ( -0.390 3.148 1.069) 3.348 19.824 ( -4.109 -1.911 2.934) 5.399 19.824 ( -4.109 1.911 2.934) 5.399 20.158 ( -3.521 -7.532 -1.074) 8.383 20.158 ( -3.521 7.532 -1.074) 8.383 20.427 ( 4.088 -1.208 -2.250) 4.820 20.427 ( 4.088 1.208 -2.250) 4.820 ======================= Grid point 73 (38/87) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -4.003 -5.411 2.660) 7.237 0.450 ( -4.003 5.411 2.660) 7.237 0.827 ( -3.766 -4.647 2.833) 6.619 0.827 ( -3.766 4.647 2.833) 6.619 0.917 ( 1.273 -4.583 2.069) 5.187 0.917 ( 1.273 4.583 2.069) 5.187 0.960 ( 1.566 -2.282 2.568) 3.776 0.960 ( 1.566 2.282 2.568) 3.776 1.158 ( 0.401 -2.130 -0.421) 2.208 1.158 ( 0.401 2.130 -0.421) 2.208 1.210 ( 0.112 -6.217 -2.208) 6.599 1.210 ( 0.112 6.217 -2.208) 6.599 1.312 ( -0.924 -2.297 -0.625) 2.554 1.312 ( -0.924 2.297 -0.625) 2.554 1.355 ( 0.202 -1.508 0.785) 1.712 1.355 ( 0.202 1.508 0.785) 1.712 1.460 ( 0.655 -1.619 0.631) 1.857 1.460 ( 0.655 1.619 0.631) 1.857 1.544 ( -1.094 -3.039 -0.969) 3.372 1.544 ( -1.094 3.039 -0.969) 3.372 1.749 ( -0.222 -1.892 -0.514) 1.973 1.749 ( -0.222 1.892 -0.514) 1.973 1.967 ( 0.599 -2.053 -1.600) 2.671 1.967 ( 0.599 2.053 -1.600) 2.671 2.131 ( -1.897 -3.181 0.974) 3.830 2.131 ( -1.897 3.181 0.974) 3.830 2.209 ( -2.246 -3.882 -1.431) 4.708 2.209 ( -2.246 3.882 -1.431) 4.708 2.331 ( -2.188 -3.383 -2.068) 4.528 2.331 ( -2.188 3.383 -2.068) 4.528 2.912 ( -0.977 -3.108 3.588) 4.846 2.912 ( -0.977 3.108 3.588) 4.846 3.037 ( -1.163 -6.524 2.652) 7.138 3.037 ( -1.163 6.524 2.652) 7.138 3.516 ( -0.648 -11.513 1.374) 11.612 3.516 ( -0.648 11.513 1.374) 11.612 3.759 ( 1.416 -0.980 -1.292) 2.153 3.759 ( 1.416 0.980 -1.292) 2.153 3.896 ( 0.735 -2.602 -0.248) 2.715 3.896 ( 0.735 2.602 -0.248) 2.715 4.192 ( 1.932 -3.847 -2.963) 5.226 4.192 ( 1.932 3.847 -2.963) 5.226 4.469 ( 1.962 -10.022 -0.964) 10.258 4.469 ( 1.962 10.022 -0.964) 10.258 4.944 ( 1.892 -7.620 -3.565) 8.623 4.944 ( 1.892 7.620 -3.565) 8.623 5.252 ( -0.234 -7.830 4.970) 9.277 5.252 ( -0.234 7.830 4.970) 9.277 5.414 ( -0.380 -2.122 0.298) 2.176 5.414 ( -0.380 2.122 0.298) 2.176 5.837 ( 1.410 -2.233 -0.305) 2.658 5.837 ( 1.410 2.233 -0.305) 2.658 6.114 ( 3.532 -3.495 -7.022) 8.602 6.114 ( 3.532 3.495 -7.022) 8.602 6.721 ( -1.472 -10.444 2.803) 10.913 6.721 ( -1.472 10.444 2.803) 10.913 6.925 ( 0.050 -7.009 -1.043) 7.087 6.925 ( 0.050 7.009 -1.043) 7.087 7.000 ( 0.963 -3.906 -2.024) 4.503 7.000 ( 0.963 3.906 -2.024) 4.503 7.647 ( 3.972 -8.285 -5.320) 10.616 7.647 ( 3.972 8.285 -5.320) 10.616 7.850 ( 1.154 -1.558 4.596) 4.988 7.850 ( 1.154 1.558 4.596) 4.988 8.651 ( -2.594 -1.828 6.418) 7.159 8.651 ( -2.594 1.828 6.418) 7.159 9.052 ( 0.498 -11.071 2.501) 11.360 9.052 ( 0.498 11.071 2.501) 11.360 9.684 ( 10.673 -19.652 -3.233) 22.596 9.684 ( 10.673 19.652 -3.233) 22.596 9.895 ( 2.099 -5.317 -1.828) 6.002 9.895 ( 2.099 5.317 -1.828) 6.002 9.976 ( 2.444 -8.535 -2.295) 9.170 9.976 ( 2.444 8.535 -2.295) 9.170 10.489 ( 3.661 -4.114 -5.254) 7.611 10.489 ( 3.661 4.114 -5.254) 7.611 10.620 ( -0.312 -6.822 10.123) 12.211 10.620 ( -0.312 6.822 10.123) 12.211 11.304 ( 5.027 -6.850 -1.815) 8.689 11.304 ( 5.027 6.850 -1.815) 8.689 11.579 ( 0.730 -10.759 -0.968) 10.827 11.579 ( 0.730 10.759 -0.968) 10.827 11.902 ( 0.352 -5.332 0.267) 5.350 11.902 ( 0.352 5.332 0.267) 5.350 13.027 ( 4.125 -7.187 -2.557) 8.672 13.027 ( 4.125 7.187 -2.557) 8.672 14.242 ( -0.213 -2.056 1.056) 2.321 14.242 ( -0.213 2.056 1.056) 2.321 14.500 ( 0.923 -4.663 -0.351) 4.767 14.500 ( 0.923 4.663 -0.351) 4.767 15.471 ( 3.842 -7.140 -2.533) 8.495 15.471 ( 3.842 7.140 -2.533) 8.495 16.204 ( 3.600 -5.166 10.508) 12.250 16.204 ( 3.600 5.166 10.508) 12.250 16.494 ( 6.416 -12.797 -2.469) 14.527 16.494 ( 6.416 12.797 -2.469) 14.527 17.754 ( -2.035 -0.929 4.763) 5.262 17.754 ( -2.035 0.929 4.763) 5.262 18.174 ( -1.096 -1.643 -1.187) 2.304 18.174 ( -1.096 1.643 -1.187) 2.304 18.784 ( 0.282 -2.534 2.302) 3.435 18.784 ( 0.282 2.534 2.302) 3.435 19.750 ( -7.440 -1.873 2.539) 8.081 19.750 ( -7.440 1.873 2.539) 8.081 20.073 ( -4.873 -4.981 -0.264) 6.973 20.073 ( -4.873 4.981 -0.264) 6.973 20.486 ( 4.599 -0.986 -2.516) 5.334 20.486 ( 4.599 0.986 -2.516) 5.334 ======================= Grid point 75 (39/87) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -2.881 -7.130 1.930) 7.928 0.408 ( -2.881 7.130 1.930) 7.928 0.759 ( -6.893 -5.375 5.181) 10.161 0.759 ( -6.893 5.375 5.181) 10.161 0.966 ( 1.137 -3.143 1.002) 3.489 0.966 ( 1.137 3.143 1.002) 3.489 1.017 ( 3.633 -3.198 0.785) 4.904 1.017 ( 3.633 3.198 0.785) 4.904 1.150 ( 0.389 -3.217 -2.544) 4.119 1.150 ( 0.389 3.217 -2.544) 4.119 1.205 ( 0.416 -3.015 0.469) 3.080 1.205 ( 0.416 3.015 0.469) 3.080 1.304 ( 1.142 -2.680 -1.145) 3.130 1.304 ( 1.142 2.680 -1.145) 3.130 1.370 ( 0.096 -2.462 1.012) 2.663 1.370 ( 0.096 2.462 1.012) 2.663 1.474 ( -0.171 -1.327 1.039) 1.694 1.474 ( -0.171 1.327 1.039) 1.694 1.515 ( 0.008 -2.914 -3.413) 4.487 1.515 ( 0.008 2.914 -3.413) 4.487 1.746 ( -0.043 -2.141 0.098) 2.144 1.746 ( -0.043 2.141 0.098) 2.144 1.956 ( -0.165 -3.532 -1.758) 3.948 1.956 ( -0.165 3.532 -1.758) 3.948 2.079 ( -4.367 -1.652 1.362) 4.864 2.079 ( -4.367 1.652 1.362) 4.864 2.185 ( 0.313 -5.445 0.404) 5.469 2.185 ( 0.313 5.445 0.404) 5.469 2.301 ( -0.109 -2.929 -0.623) 2.997 2.301 ( -0.109 2.929 -0.623) 2.997 2.914 ( -1.296 -4.402 2.152) 5.068 2.914 ( -1.296 4.402 2.152) 5.068 3.041 ( -1.118 -7.394 3.376) 8.205 3.041 ( -1.118 7.394 3.376) 8.205 3.518 ( -0.537 -10.731 1.635) 10.868 3.518 ( -0.537 10.731 1.635) 10.868 3.778 ( 1.380 -1.550 -0.432) 2.120 3.778 ( 1.380 1.550 -0.432) 2.120 3.898 ( 0.404 -0.855 -1.784) 2.020 3.898 ( 0.404 0.855 -1.784) 2.020 4.209 ( 2.109 -3.277 -1.646) 4.231 4.209 ( 2.109 3.277 -1.646) 4.231 4.498 ( 2.149 -10.420 -1.399) 10.731 4.498 ( 2.149 10.420 -1.399) 10.731 4.956 ( 2.484 -6.374 -3.292) 7.592 4.956 ( 2.484 6.374 -3.292) 7.592 5.265 ( -2.219 -8.078 3.151) 8.950 5.265 ( -2.219 8.078 3.151) 8.950 5.410 ( -0.130 -2.380 0.209) 2.393 5.410 ( -0.130 2.380 0.209) 2.393 5.846 ( 0.833 -3.479 -2.395) 4.306 5.846 ( 0.833 3.479 -2.395) 4.306 6.119 ( 3.373 -5.392 -6.663) 9.212 6.119 ( 3.373 5.392 -6.663) 9.212 6.717 ( -1.423 -9.574 2.468) 9.988 6.717 ( -1.423 9.574 2.468) 9.988 6.923 ( 0.691 -6.560 -0.853) 6.651 6.923 ( 0.691 6.560 -0.853) 6.651 6.996 ( 0.129 -2.539 -1.501) 2.953 6.996 ( 0.129 2.539 -1.501) 2.953 7.661 ( 2.333 -8.740 -5.153) 10.411 7.661 ( 2.333 8.740 -5.153) 10.411 7.908 ( 1.126 -7.013 3.559) 7.944 7.908 ( 1.126 7.013 3.559) 7.944 8.662 ( -2.510 -1.457 7.585) 8.122 8.662 ( -2.510 1.457 7.585) 8.122 9.062 ( -0.788 -4.164 2.069) 4.716 9.062 ( -0.788 4.164 2.069) 4.716 9.756 ( 4.834 -14.218 -13.538) 20.218 9.756 ( 4.834 14.218 -13.538) 20.218 9.905 ( -0.500 -4.611 1.051) 4.756 9.905 ( -0.500 4.611 1.051) 4.756 10.045 ( 5.640 -8.186 -1.393) 10.038 10.045 ( 5.640 8.186 -1.393) 10.038 10.482 ( 0.501 -3.718 -4.497) 5.857 10.482 ( 0.501 3.718 -4.497) 5.857 10.757 ( 5.608 -7.828 8.859) 13.085 10.757 ( 5.608 7.828 8.859) 13.085 11.356 ( 2.521 -2.694 -0.779) 3.771 11.356 ( 2.521 2.694 -0.779) 3.771 11.628 ( 5.797 -9.564 -2.622) 11.487 11.628 ( 5.797 9.564 -2.622) 11.487 11.896 ( -2.420 -4.297 1.414) 5.131 11.896 ( -2.420 4.297 1.414) 5.131 13.105 ( 7.954 -10.679 -5.674) 14.474 13.105 ( 7.954 10.679 -5.674) 14.474 14.256 ( 0.893 -1.746 0.771) 2.107 14.256 ( 0.893 1.746 0.771) 2.107 14.517 ( 1.832 -3.583 -1.393) 4.259 14.517 ( 1.832 3.583 -1.393) 4.259 15.464 ( -0.706 -7.848 -6.966) 10.518 15.464 ( -0.706 7.848 -6.966) 10.518 16.300 ( -0.243 -4.515 3.115) 5.491 16.300 ( -0.243 4.515 3.115) 5.491 16.629 ( 9.434 -13.873 -1.830) 16.877 16.629 ( 9.434 13.873 -1.830) 16.877 17.775 ( -2.070 -3.550 8.160) 9.136 17.775 ( -2.070 3.550 8.160) 9.136 18.156 ( -0.225 -1.138 0.334) 1.207 18.156 ( -0.225 1.138 0.334) 1.207 18.829 ( 1.392 -2.589 5.384) 6.134 18.829 ( 1.392 2.589 5.384) 6.134 19.593 ( -11.016 -2.644 0.706) 11.350 19.593 ( -11.016 2.644 0.706) 11.350 20.015 ( -2.528 -2.240 3.373) 4.774 20.015 ( -2.528 2.240 3.373) 4.774 20.538 ( 3.561 -1.281 -2.786) 4.699 20.538 ( 3.561 1.281 -2.786) 4.699 ======================= Grid point 85 (40/87) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -2.151 0.000 12.652) 12.834 0.582 ( 0.399 0.000 12.887) 12.893 0.657 ( -4.920 0.000 11.621) 12.619 0.934 ( 1.249 0.000 2.066) 2.414 0.946 ( -3.240 0.000 -0.604) 3.296 0.962 ( 0.930 0.000 -1.485) 1.752 1.042 ( 4.912 0.000 -5.120) 7.095 1.044 ( 1.199 0.000 2.603) 2.866 1.119 ( -1.519 0.000 1.294) 1.995 1.141 ( -2.445 0.000 -0.807) 2.574 1.185 ( -0.241 0.000 2.701) 2.712 1.192 ( -2.208 0.000 0.544) 2.274 1.223 ( 0.348 0.000 1.244) 1.291 1.264 ( 0.178 0.000 -1.881) 1.889 1.352 ( -0.051 0.000 -3.375) 3.376 1.371 ( 0.731 0.000 0.348) 0.810 1.454 ( -1.702 0.000 1.152) 2.055 1.460 ( 0.609 0.000 -1.078) 1.238 1.590 ( 2.360 0.000 -2.325) 3.313 1.683 ( -2.101 0.000 3.087) 3.735 1.743 ( 2.585 0.000 -5.220) 5.825 1.777 ( -2.368 0.000 4.712) 5.274 1.833 ( 6.054 0.000 -4.332) 7.444 2.006 ( 1.310 0.000 -0.242) 1.333 2.033 ( -1.777 0.000 0.123) 1.781 2.177 ( -2.306 0.000 3.209) 3.951 2.235 ( -1.697 0.000 -3.898) 4.251 2.319 ( 0.190 0.000 1.490) 1.502 2.346 ( 3.440 0.000 1.092) 3.609 2.605 ( 6.798 0.000 -6.925) 9.704 2.653 ( -1.767 0.000 3.923) 4.303 2.944 ( -1.603 0.000 -2.558) 3.019 3.112 ( -4.435 0.000 9.947) 10.891 3.281 ( -3.222 0.000 5.664) 6.516 3.453 ( 2.068 0.000 -3.476) 4.044 3.577 ( 0.051 0.000 1.357) 1.358 3.717 ( -2.813 0.000 3.582) 4.555 3.720 ( 3.425 0.000 -6.213) 7.094 3.871 ( 0.993 0.000 -0.562) 1.141 3.930 ( 2.754 0.000 -5.856) 6.471 4.002 ( -0.992 0.000 0.623) 1.171 4.059 ( 3.687 0.000 -2.765) 4.609 4.611 ( -4.433 0.000 10.384) 11.291 4.640 ( -8.216 0.000 4.674) 9.452 4.894 ( 2.562 0.000 -1.225) 2.840 5.043 ( 0.216 0.000 0.141) 0.258 5.152 ( -1.762 0.000 4.311) 4.658 5.295 ( 0.891 0.000 -7.909) 7.959 5.439 ( -2.584 0.000 6.029) 6.559 5.503 ( 2.045 0.000 -0.786) 2.191 5.521 ( 0.040 0.000 0.972) 0.973 5.741 ( -7.231 0.000 0.021) 7.231 5.804 ( 1.290 0.000 -1.722) 2.151 6.071 ( -1.127 0.000 -2.250) 2.516 6.581 ( 0.039 0.000 -0.322) 0.324 6.617 ( -1.920 0.000 4.256) 4.669 6.740 ( -1.526 0.000 1.896) 2.434 6.948 ( 2.873 0.000 -4.362) 5.223 7.067 ( 2.936 0.000 -2.973) 4.179 7.104 ( 0.434 0.000 -2.696) 2.731 7.325 ( -0.610 0.000 1.210) 1.355 7.558 ( 2.893 0.000 -5.984) 6.647 8.039 ( -2.684 0.000 6.028) 6.598 8.196 ( -4.025 0.000 2.684) 4.838 8.302 ( -3.733 0.000 1.557) 4.044 8.764 ( 2.704 0.000 -7.474) 7.948 9.137 ( -8.150 0.000 11.334) 13.959 9.200 ( -3.540 0.000 6.099) 7.052 9.262 ( -0.487 0.000 6.125) 6.144 9.569 ( -1.124 0.000 0.586) 1.268 9.692 ( 2.146 0.000 -14.383) 14.543 9.900 ( 6.360 0.000 -7.860) 10.111 9.976 ( 3.489 0.000 -11.896) 12.397 10.092 ( 1.090 0.000 -3.041) 3.231 10.464 ( 2.964 0.000 -0.993) 3.126 10.480 ( 2.340 0.000 5.638) 6.104 11.023 ( -6.392 0.000 7.680) 9.992 11.232 ( -3.091 0.000 7.778) 8.370 11.277 ( 4.816 0.000 -1.967) 5.202 11.389 ( 1.961 0.000 1.968) 2.778 11.568 ( 13.797 0.000 -1.961) 13.936 11.657 ( -1.707 0.000 -6.702) 6.916 11.740 ( -2.370 0.000 2.598) 3.517 11.806 ( -2.532 0.000 0.250) 2.544 12.996 ( 0.156 0.000 4.465) 4.467 13.481 ( -1.355 0.000 -10.832) 10.917 14.279 ( -0.007 0.000 3.468) 3.468 14.311 ( -1.596 0.000 2.541) 3.001 14.452 ( 1.913 0.000 -0.803) 2.074 14.500 ( -1.604 0.000 -3.768) 4.095 14.758 ( -12.365 0.000 3.709) 12.909 15.136 ( 5.715 0.000 -11.902) 13.203 16.082 ( -0.979 0.000 -0.202) 1.000 16.110 ( -0.732 0.000 -3.196) 3.279 16.540 ( -6.025 0.000 7.786) 9.845 17.002 ( 3.453 0.000 -6.628) 7.473 17.787 ( 2.237 0.000 0.747) 2.358 17.947 ( -3.567 0.000 -7.788) 8.566 18.194 ( 1.161 0.000 0.778) 1.398 18.247 ( -3.735 0.000 -2.931) 4.748 18.977 ( 4.049 0.000 4.602) 6.130 19.174 ( -30.310 0.000 -0.786) 30.321 19.512 ( 11.471 0.000 7.048) 13.463 19.587 ( -4.526 0.000 0.878) 4.610 19.998 ( 0.048 0.000 5.178) 5.178 20.327 ( 2.266 0.000 -4.446) 4.990 20.329 ( 2.141 0.000 3.764) 4.331 20.562 ( 1.800 0.000 -2.945) 3.451 ======================= Grid point 86 (41/87) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.398 0.000 8.920) 8.929 0.687 ( -1.042 0.000 8.360) 8.425 0.693 ( 0.663 0.000 11.332) 11.351 0.898 ( -1.180 0.000 -1.054) 1.582 0.934 ( -0.922 0.000 -3.825) 3.934 0.972 ( 0.685 0.000 2.783) 2.866 1.056 ( -3.908 0.000 2.000) 4.390 1.072 ( -1.393 0.000 2.570) 2.924 1.087 ( 1.164 0.000 -4.350) 4.503 1.119 ( 1.137 0.000 1.789) 2.120 1.163 ( -0.941 0.000 -0.863) 1.277 1.200 ( -0.521 0.000 2.455) 2.510 1.246 ( 1.202 0.000 -0.637) 1.361 1.290 ( 2.855 0.000 0.376) 2.880 1.315 ( -0.554 0.000 -2.344) 2.408 1.391 ( 1.507 0.000 -0.381) 1.555 1.432 ( -1.378 0.000 0.910) 1.651 1.453 ( -0.681 0.000 -1.172) 1.355 1.624 ( -0.639 0.000 1.263) 1.415 1.682 ( 3.213 0.000 -0.414) 3.240 1.762 ( 4.165 0.000 -5.174) 6.642 1.813 ( -0.451 0.000 8.933) 8.944 1.894 ( 4.100 0.000 -5.192) 6.615 2.016 ( 1.427 0.000 -0.722) 1.599 2.017 ( -0.040 0.000 -0.097) 0.105 2.127 ( -1.731 0.000 -5.853) 6.104 2.200 ( -1.814 0.000 2.077) 2.758 2.357 ( 1.979 0.000 1.862) 2.717 2.414 ( 3.401 0.000 0.765) 3.486 2.615 ( 1.682 0.000 -9.024) 9.180 2.665 ( -1.210 0.000 5.558) 5.688 2.924 ( 2.097 0.000 -3.216) 3.840 3.108 ( -4.925 0.000 9.591) 10.781 3.251 ( -4.717 0.000 4.004) 6.188 3.458 ( 1.254 0.000 -2.624) 2.908 3.573 ( -1.461 0.000 0.626) 1.589 3.674 ( -5.513 0.000 4.931) 7.396 3.735 ( 3.171 0.000 -4.634) 5.615 3.877 ( 0.577 0.000 -1.456) 1.566 3.922 ( 1.321 0.000 -5.286) 5.448 3.982 ( -0.682 0.000 -0.832) 1.075 4.099 ( 2.862 0.000 -2.404) 3.738 4.530 ( -9.096 0.000 8.582) 12.506 4.612 ( -5.105 0.000 11.032) 12.155 4.931 ( 1.824 0.000 0.355) 1.858 5.049 ( 0.543 0.000 -0.101) 0.552 5.146 ( -2.396 0.000 3.203) 4.000 5.243 ( 0.741 0.000 -8.026) 8.060 5.432 ( -3.041 0.000 4.641) 5.549 5.526 ( 0.670 0.000 -0.401) 0.781 5.538 ( 0.720 0.000 1.531) 1.692 5.666 ( -2.089 0.000 2.427) 3.202 5.817 ( 0.424 0.000 1.239) 1.309 6.056 ( 1.094 0.000 -3.025) 3.216 6.587 ( 0.154 0.000 1.367) 1.375 6.603 ( -2.760 0.000 2.726) 3.879 6.734 ( -0.789 0.000 1.386) 1.595 6.961 ( 2.281 0.000 -4.052) 4.650 7.093 ( 2.517 0.000 -2.695) 3.688 7.097 ( 1.504 0.000 -3.241) 3.573 7.323 ( -0.463 0.000 0.594) 0.753 7.539 ( 0.353 0.000 -5.250) 5.262 8.032 ( -3.630 0.000 5.982) 6.997 8.107 ( -10.455 0.000 9.576) 14.178 8.277 ( -0.488 0.000 0.571) 0.751 8.747 ( 2.864 0.000 -8.533) 9.001 9.090 ( -8.100 0.000 12.832) 15.175 9.174 ( -4.396 0.000 5.031) 6.681 9.298 ( -0.622 0.000 5.266) 5.303 9.551 ( -1.005 0.000 0.188) 1.022 9.644 ( 3.521 0.000 -9.616) 10.240 9.921 ( 1.978 0.000 -11.380) 11.550 9.941 ( 5.710 0.000 -9.279) 10.895 10.067 ( -2.022 0.000 -0.654) 2.125 10.482 ( 2.032 0.000 -6.600) 6.906 10.537 ( -0.755 0.000 5.262) 5.315 10.981 ( -4.944 0.000 6.980) 8.554 11.215 ( -6.307 0.000 9.477) 11.383 11.244 ( -8.688 0.000 4.576) 9.820 11.430 ( 0.655 0.000 2.282) 2.375 11.515 ( -3.736 0.000 -5.834) 6.928 11.675 ( 2.796 0.000 -5.365) 6.049 11.729 ( -0.823 0.000 1.892) 2.063 11.902 ( 10.240 0.000 -6.956) 12.379 13.054 ( 1.922 0.000 4.456) 4.852 13.305 ( -9.461 0.000 -2.779) 9.861 14.304 ( -1.491 0.000 3.034) 3.381 14.312 ( 0.379 0.000 2.925) 2.950 14.419 ( -2.860 0.000 0.200) 2.866 14.524 ( 5.570 0.000 -2.529) 6.117 14.715 ( 2.544 0.000 1.592) 3.001 15.134 ( 4.322 0.000 -10.595) 11.442 16.053 ( -1.858 0.000 -0.189) 1.867 16.100 ( 1.781 0.000 -2.408) 2.995 16.479 ( -8.376 0.000 9.520) 12.680 16.938 ( -4.492 0.000 -6.525) 7.922 17.811 ( -5.722 0.000 -2.425) 6.215 17.841 ( 2.971 0.000 0.982) 3.129 18.177 ( -3.101 0.000 0.622) 3.163 18.223 ( 1.277 0.000 0.811) 1.513 18.800 ( -14.642 0.000 4.819) 15.415 19.075 ( 0.306 0.000 7.771) 7.777 19.570 ( 3.267 0.000 -1.320) 3.523 19.698 ( 4.811 0.000 6.646) 8.204 20.044 ( 1.366 0.000 2.350) 2.718 20.327 ( 1.303 0.000 -3.549) 3.781 20.353 ( -0.690 0.000 0.577) 0.899 20.541 ( -1.016 0.000 -3.683) 3.821 ======================= Grid point 87 (42/87) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 2.585 0.000 4.058) 4.811 0.730 ( 0.228 0.000 2.825) 2.835 0.767 ( -1.174 0.000 7.428) 7.520 0.875 ( -1.618 0.000 -4.790) 5.056 0.896 ( 1.368 0.000 0.339) 1.409 0.994 ( -3.644 0.000 3.905) 5.341 1.007 ( -0.132 0.000 1.843) 1.848 1.052 ( -2.210 0.000 1.161) 2.497 1.079 ( 0.769 0.000 -2.477) 2.593 1.155 ( 0.721 0.000 -0.859) 1.122 1.158 ( 0.144 0.000 3.329) 3.332 1.209 ( 0.461 0.000 -1.842) 1.899 1.244 ( 1.841 0.000 -1.917) 2.658 1.323 ( 0.120 0.000 3.457) 3.459 1.337 ( 0.950 0.000 2.033) 2.244 1.403 ( -0.194 0.000 -0.179) 0.264 1.427 ( -0.868 0.000 -1.100) 1.402 1.449 ( 2.688 0.000 1.447) 3.053 1.601 ( -2.126 0.000 1.212) 2.447 1.754 ( 4.095 0.000 -0.660) 4.148 1.795 ( 3.798 0.000 -4.986) 6.268 1.885 ( -0.574 0.000 9.894) 9.911 1.886 ( 1.023 0.000 -5.605) 5.697 2.001 ( -1.760 0.000 0.074) 1.762 2.043 ( 0.200 0.000 -7.422) 7.425 2.086 ( 5.788 0.000 -3.130) 6.580 2.189 ( -0.836 0.000 1.150) 1.421 2.402 ( 1.239 0.000 1.769) 2.160 2.456 ( 0.152 0.000 -1.375) 1.383 2.566 ( 1.498 0.000 -5.590) 5.787 2.696 ( -1.099 0.000 6.814) 6.902 2.946 ( 3.535 0.000 -5.164) 6.258 3.096 ( -5.151 0.000 9.498) 10.805 3.197 ( -4.486 0.000 4.598) 6.424 3.455 ( 0.257 0.000 -1.348) 1.372 3.542 ( -2.218 0.000 0.110) 2.221 3.621 ( -4.827 0.000 4.955) 6.918 3.754 ( 2.906 0.000 -4.062) 4.994 3.871 ( 0.399 0.000 -1.931) 1.972 3.900 ( 0.846 0.000 -4.021) 4.109 3.972 ( 0.729 0.000 -1.984) 2.114 4.109 ( 0.747 0.000 -3.126) 3.214 4.482 ( -4.929 0.000 10.023) 11.169 4.609 ( -5.634 0.000 11.586) 12.883 4.954 ( 0.018 0.000 0.908) 0.908 5.060 ( 0.577 0.000 0.276) 0.640 5.121 ( -3.385 0.000 3.517) 4.882 5.199 ( 1.398 0.000 -7.502) 7.631 5.415 ( -2.307 0.000 3.312) 4.036 5.523 ( -0.302 0.000 -0.360) 0.470 5.565 ( 0.598 0.000 1.671) 1.775 5.687 ( 1.873 0.000 1.851) 2.633 5.837 ( -0.408 0.000 3.457) 3.481 6.052 ( 1.863 0.000 -4.535) 4.903 6.570 ( -3.083 0.000 2.083) 3.721 6.604 ( -0.093 0.000 2.439) 2.441 6.734 ( -0.397 0.000 1.424) 1.478 6.961 ( 1.201 0.000 -3.515) 3.714 7.105 ( 2.472 0.000 -3.751) 4.492 7.108 ( 1.745 0.000 -2.956) 3.433 7.320 ( 0.055 0.000 -0.521) 0.524 7.492 ( -1.291 0.000 -4.302) 4.492 8.008 ( -4.402 0.000 5.668) 7.176 8.012 ( -10.302 0.000 12.649) 16.313 8.281 ( 0.627 0.000 -0.036) 0.628 8.733 ( 3.736 0.000 -9.183) 9.914 9.058 ( -7.893 0.000 14.019) 16.088 9.136 ( -4.092 0.000 4.680) 6.217 9.322 ( -1.083 0.000 4.193) 4.330 9.541 ( -0.780 0.000 1.054) 1.312 9.661 ( 5.620 0.000 -6.232) 8.392 9.854 ( 1.515 0.000 -12.369) 12.461 9.970 ( 5.492 0.000 -8.595) 10.200 10.021 ( -2.523 0.000 -0.510) 2.574 10.422 ( -1.113 0.000 -9.693) 9.756 10.541 ( -2.956 0.000 3.941) 4.926 10.972 ( -1.877 0.000 5.899) 6.190 11.085 ( -14.068 0.000 8.816) 16.602 11.178 ( -7.631 0.000 12.244) 14.428 11.445 ( -0.445 0.000 0.901) 1.005 11.452 ( 1.141 0.000 -6.661) 6.758 11.677 ( 2.696 0.000 -4.708) 5.426 11.737 ( 0.041 0.000 1.360) 1.361 11.964 ( 4.449 0.000 -8.255) 9.378 13.117 ( 1.526 0.000 2.984) 3.352 13.168 ( -5.643 0.000 2.094) 6.019 14.301 ( -1.508 0.000 2.937) 3.302 14.339 ( -0.202 0.000 3.197) 3.203 14.387 ( -0.927 0.000 -0.435) 1.024 14.600 ( 5.358 0.000 -3.368) 6.328 14.809 ( 8.128 0.000 -3.524) 8.859 15.119 ( 3.294 0.000 -9.644) 10.191 16.020 ( -2.375 0.000 1.418) 2.766 16.122 ( 2.135 0.000 -1.166) 2.432 16.418 ( -7.564 0.000 10.960) 13.317 16.780 ( -7.954 0.000 -2.688) 8.396 17.731 ( -3.109 0.000 1.045) 3.280 17.896 ( 2.253 0.000 0.641) 2.343 18.142 ( -1.504 0.000 0.508) 1.587 18.247 ( 0.820 0.000 0.448) 0.934 18.682 ( -4.373 0.000 3.976) 5.910 19.086 ( -4.694 0.000 4.954) 6.824 19.676 ( 8.132 0.000 0.884) 8.180 19.805 ( 0.948 0.000 7.778) 7.835 20.072 ( -0.098 0.000 1.523) 1.526 20.316 ( 0.649 0.000 -3.246) 3.311 20.338 ( 0.245 0.000 -1.960) 1.975 20.477 ( -2.303 0.000 -4.234) 4.820 ======================= Grid point 88 (43/87) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.949 0.000 -0.242) 1.965 0.738 ( 0.149 0.000 0.324) 0.356 0.760 ( -4.249 0.000 2.606) 4.985 0.814 ( -1.044 0.000 -3.737) 3.880 0.944 ( 2.623 0.000 2.218) 3.435 0.960 ( -3.056 0.000 3.304) 4.500 1.018 ( -2.215 0.000 0.377) 2.247 1.030 ( -0.140 0.000 2.650) 2.654 1.075 ( 0.968 0.000 -2.862) 3.021 1.167 ( 0.873 0.000 0.472) 0.992 1.169 ( -0.105 0.000 -0.805) 0.812 1.196 ( 0.057 0.000 0.038) 0.069 1.288 ( 1.559 0.000 1.236) 1.989 1.343 ( 0.438 0.000 1.413) 1.479 1.360 ( 0.197 0.000 1.465) 1.479 1.394 ( -1.157 0.000 1.235) 1.692 1.419 ( -0.395 0.000 1.877) 1.918 1.517 ( 2.375 0.000 2.822) 3.688 1.575 ( -1.557 0.000 0.391) 1.605 1.798 ( 1.513 0.000 -5.586) 5.787 1.804 ( 2.299 0.000 -0.534) 2.360 1.862 ( 1.073 0.000 -5.406) 5.512 1.920 ( -1.802 0.000 2.713) 3.257 1.973 ( -3.479 0.000 6.039) 6.969 1.997 ( 2.229 0.000 -7.818) 8.130 2.172 ( 5.138 0.000 -2.162) 5.574 2.195 ( 2.200 0.000 -1.703) 2.782 2.397 ( -3.029 0.000 -3.858) 4.905 2.428 ( 0.412 0.000 1.458) 1.515 2.574 ( 1.789 0.000 -3.839) 4.235 2.730 ( -1.631 0.000 7.394) 7.572 2.964 ( 3.283 0.000 -4.004) 5.178 3.083 ( -5.069 0.000 9.725) 10.967 3.189 ( -1.683 0.000 6.620) 6.831 3.451 ( 0.341 0.000 -0.352) 0.491 3.507 ( -1.803 0.000 0.512) 1.874 3.582 ( -3.628 0.000 3.342) 4.932 3.767 ( 2.525 0.000 -4.998) 5.600 3.861 ( 0.175 0.000 -1.815) 1.823 3.894 ( 1.864 0.000 -3.732) 4.171 3.973 ( 1.120 0.000 -1.847) 2.160 4.080 ( -0.527 0.000 -3.880) 3.916 4.506 ( -1.902 0.000 10.164) 10.340 4.600 ( -5.904 0.000 11.489) 12.917 4.946 ( -1.334 0.000 0.231) 1.354 5.069 ( -0.792 0.000 2.008) 2.158 5.089 ( -4.105 0.000 5.386) 6.772 5.179 ( 3.550 0.000 -7.758) 8.532 5.410 ( -1.110 0.000 2.805) 3.016 5.514 ( -0.234 0.000 -0.754) 0.789 5.579 ( -0.194 0.000 0.765) 0.789 5.746 ( 3.120 0.000 1.521) 3.471 5.855 ( -0.887 0.000 3.713) 3.817 6.055 ( 3.384 0.000 -5.317) 6.303 6.536 ( -2.825 0.000 2.788) 3.969 6.617 ( -0.587 0.000 2.150) 2.229 6.748 ( 0.351 0.000 2.275) 2.302 6.948 ( 0.478 0.000 -3.284) 3.318 7.105 ( 0.966 0.000 -3.766) 3.888 7.117 ( 2.355 0.000 -4.070) 4.703 7.316 ( 0.406 0.000 -1.404) 1.462 7.429 ( -2.381 0.000 -3.128) 3.931 7.948 ( -8.578 0.000 12.483) 15.146 7.975 ( -4.105 0.000 5.391) 6.777 8.295 ( 1.054 0.000 -0.463) 1.152 8.733 ( 4.676 0.000 -9.465) 10.558 9.036 ( -7.907 0.000 15.234) 17.163 9.115 ( -3.135 0.000 6.089) 6.849 9.327 ( -1.770 0.000 3.394) 3.828 9.538 ( -0.641 0.000 1.193) 1.354 9.732 ( 7.372 0.000 -5.415) 9.147 9.780 ( 1.441 0.000 -12.364) 12.447 9.977 ( -0.844 0.000 -2.783) 2.908 9.993 ( 5.048 0.000 -9.142) 10.443 10.321 ( -1.517 0.000 -7.618) 7.767 10.501 ( -4.241 0.000 2.396) 4.871 10.928 ( -11.405 0.000 8.568) 14.265 10.996 ( -0.766 0.000 4.570) 4.634 11.153 ( -6.824 0.000 13.720) 15.323 11.428 ( 1.610 0.000 -5.603) 5.829 11.429 ( -1.477 0.000 -0.663) 1.619 11.701 ( 4.123 0.000 -4.598) 6.176 11.747 ( -0.096 0.000 1.201) 1.204 11.953 ( 1.646 0.000 -6.667) 6.867 13.133 ( -1.388 0.000 3.521) 3.785 13.148 ( 0.102 0.000 1.223) 1.228 14.297 ( -1.811 0.000 3.292) 3.757 14.355 ( -0.900 0.000 3.273) 3.394 14.375 ( -0.066 0.000 -0.705) 0.708 14.651 ( 3.778 0.000 -4.110) 5.583 14.923 ( 9.257 0.000 -6.645) 11.395 15.097 ( 3.088 0.000 -9.723) 10.202 15.998 ( -2.230 0.000 3.347) 4.022 16.148 ( 1.206 0.000 0.166) 1.217 16.395 ( -5.246 0.000 11.270) 12.431 16.656 ( -4.863 0.000 1.047) 4.975 17.711 ( -0.964 0.000 2.777) 2.940 17.921 ( 0.256 0.000 -0.196) 0.322 18.127 ( -0.724 0.000 0.221) 0.757 18.257 ( 0.039 0.000 -0.126) 0.132 18.677 ( -0.260 0.000 3.506) 3.515 19.011 ( -5.450 0.000 -0.022) 5.450 19.826 ( 5.935 0.000 3.872) 7.086 19.856 ( -2.092 0.000 7.578) 7.861 20.064 ( -2.480 0.000 2.510) 3.529 20.300 ( 0.706 0.000 -3.696) 3.763 20.342 ( 2.756 0.000 -4.047) 4.896 20.409 ( -1.244 0.000 -4.260) 4.438 ======================= Grid point 89 (44/87) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -4.418 0.000 -2.543) 5.098 0.680 ( -5.896 0.000 0.901) 5.964 0.773 ( 1.906 0.000 1.119) 2.210 0.781 ( -0.016 0.000 -2.535) 2.535 0.928 ( -3.631 0.000 3.098) 4.773 0.988 ( -1.434 0.000 0.560) 1.539 1.014 ( 2.690 0.000 3.210) 4.188 1.033 ( -0.638 0.000 -0.148) 0.655 1.075 ( 1.440 0.000 -1.755) 2.270 1.157 ( 0.511 0.000 -2.934) 2.978 1.189 ( 0.573 0.000 1.022) 1.171 1.199 ( -1.897 0.000 3.895) 4.333 1.291 ( -0.586 0.000 0.212) 0.623 1.367 ( -0.918 0.000 1.724) 1.954 1.379 ( 0.116 0.000 1.961) 1.965 1.390 ( -0.294 0.000 1.349) 1.381 1.434 ( 0.530 0.000 3.114) 3.159 1.553 ( -0.930 0.000 -0.285) 0.972 1.554 ( -1.294 0.000 3.050) 3.313 1.780 ( 2.299 0.000 -6.580) 6.970 1.816 ( -1.013 0.000 -0.898) 1.354 1.828 ( -0.036 0.000 -4.893) 4.893 1.899 ( 0.627 0.000 -2.159) 2.248 1.966 ( -4.572 0.000 9.097) 10.181 1.996 ( 3.248 0.000 -5.385) 6.289 2.195 ( 0.756 0.000 -1.490) 1.670 2.258 ( 4.963 0.000 -2.678) 5.639 2.308 ( -3.417 0.000 -4.070) 5.314 2.445 ( 0.659 0.000 0.644) 0.921 2.546 ( -0.606 0.000 -5.091) 5.127 2.750 ( -2.874 0.000 7.138) 7.695 3.001 ( 2.494 0.000 -0.475) 2.539 3.075 ( -4.859 0.000 10.190) 11.289 3.228 ( -0.483 0.000 7.196) 7.212 3.464 ( 1.804 0.000 -1.842) 2.578 3.492 ( -0.663 0.000 1.295) 1.455 3.550 ( -2.773 0.000 4.027) 4.889 3.759 ( 2.080 0.000 -7.127) 7.424 3.852 ( 0.329 0.000 -1.346) 1.386 3.898 ( 2.079 0.000 -4.177) 4.666 3.981 ( 1.075 0.000 -1.160) 1.581 4.039 ( -0.419 0.000 -3.937) 3.960 4.566 ( -0.610 0.000 9.678) 9.697 4.588 ( -5.668 0.000 11.010) 12.383 4.918 ( -1.489 0.000 -0.603) 1.606 5.064 ( -1.757 0.000 2.755) 3.268 5.072 ( -3.594 0.000 7.449) 8.270 5.200 ( 5.443 0.000 -7.070) 8.922 5.415 ( -1.066 0.000 2.887) 3.077 5.503 ( -0.124 0.000 -1.141) 1.148 5.570 ( -0.843 0.000 -0.479) 0.970 5.808 ( 2.975 0.000 -0.237) 2.985 5.861 ( -1.024 0.000 1.784) 2.057 6.102 ( 6.756 0.000 -4.272) 7.994 6.521 ( -2.127 0.000 4.565) 5.037 6.619 ( -0.609 0.000 0.936) 1.116 6.780 ( 0.647 0.000 3.247) 3.311 6.929 ( 0.679 0.000 -3.626) 3.689 7.083 ( 0.392 0.000 -4.759) 4.775 7.120 ( 1.659 0.000 -3.803) 4.149 7.313 ( 0.531 0.000 -1.343) 1.444 7.366 ( -2.470 0.000 -1.464) 2.872 7.914 ( -6.309 0.000 11.815) 13.394 7.960 ( -2.485 0.000 5.560) 6.090 8.308 ( 0.888 0.000 -0.606) 1.075 8.742 ( 4.893 0.000 -9.432) 10.626 9.025 ( -7.872 0.000 16.721) 18.482 9.124 ( -2.179 0.000 7.755) 8.056 9.315 ( -2.366 0.000 2.690) 3.582 9.539 ( -0.292 0.000 1.236) 1.270 9.714 ( 2.056 0.000 -11.483) 11.666 9.815 ( 7.618 0.000 -7.901) 10.975 9.954 ( 2.572 0.000 -6.249) 6.758 9.998 ( 4.443 0.000 -10.518) 11.418 10.269 ( -0.053 0.000 -1.533) 1.533 10.442 ( -3.953 0.000 1.513) 4.233 10.829 ( -7.720 0.000 8.499) 11.482 11.014 ( -0.981 0.000 4.592) 4.695 11.160 ( -4.942 0.000 13.122) 14.022 11.384 ( -2.381 0.000 -1.860) 3.021 11.420 ( 2.156 0.000 -4.485) 4.976 11.734 ( 3.494 0.000 -4.826) 5.958 11.753 ( -0.537 0.000 1.694) 1.777 11.935 ( 2.445 0.000 -5.673) 6.177 13.141 ( -1.442 0.000 0.070) 1.444 13.164 ( 1.544 0.000 3.551) 3.873 14.289 ( -2.306 0.000 3.687) 4.349 14.360 ( -1.525 0.000 3.109) 3.463 14.373 ( 0.512 0.000 -0.569) 0.766 14.665 ( 2.048 0.000 -5.078) 5.476 15.024 ( 8.876 0.000 -7.599) 11.685 15.078 ( 4.111 0.000 -10.476) 11.254 15.998 ( -1.273 0.000 4.499) 4.675 16.168 ( 0.504 0.000 1.464) 1.549 16.411 ( -3.017 0.000 10.586) 11.008 16.633 ( 0.495 0.000 2.434) 2.484 17.748 ( 1.516 0.000 5.938) 6.128 17.900 ( -1.909 0.000 -1.290) 2.304 18.118 ( -0.551 0.000 0.437) 0.703 18.244 ( -0.882 0.000 -1.081) 1.395 18.710 ( 0.752 0.000 2.940) 3.034 18.918 ( -3.702 0.000 -2.072) 4.242 19.860 ( -3.466 0.000 6.469) 7.339 19.921 ( 0.478 0.000 4.958) 4.981 20.039 ( -2.986 0.000 3.944) 4.947 20.287 ( 1.716 0.000 -4.554) 4.866 20.356 ( 2.501 0.000 -4.861) 5.467 20.377 ( 1.542 0.000 -4.011) 4.298 ======================= Grid point 90 (45/87) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -7.457 0.000 1.496) 7.606 0.582 ( -6.787 0.000 2.889) 7.376 0.777 ( 2.038 0.000 -2.408) 3.155 0.788 ( -1.770 0.000 1.606) 2.390 0.890 ( -2.926 0.000 2.566) 3.891 0.978 ( -0.046 0.000 -0.066) 0.080 1.024 ( 0.601 0.000 -1.292) 1.425 1.073 ( -0.262 0.000 4.467) 4.474 1.088 ( 1.388 0.000 -1.533) 2.068 1.137 ( -0.264 0.000 -2.266) 2.281 1.200 ( 0.358 0.000 0.292) 0.462 1.201 ( -1.432 0.000 4.427) 4.653 1.285 ( -2.038 0.000 2.844) 3.498 1.357 ( -1.906 0.000 2.012) 2.771 1.359 ( -1.916 0.000 0.076) 1.918 1.407 ( 0.622 0.000 1.741) 1.849 1.487 ( 2.278 0.000 0.489) 2.330 1.525 ( -3.405 0.000 1.008) 3.551 1.546 ( 0.003 0.000 1.943) 1.943 1.760 ( -2.910 0.000 -2.738) 3.995 1.767 ( 1.433 0.000 -5.598) 5.779 1.798 ( 1.154 0.000 -4.792) 4.929 1.914 ( 2.593 0.000 -2.375) 3.516 1.960 ( -3.677 0.000 6.648) 7.597 2.014 ( 2.655 0.000 -3.273) 4.215 2.189 ( -0.648 0.000 0.152) 0.666 2.224 ( -2.402 0.000 -2.660) 3.584 2.304 ( 2.310 0.000 -1.954) 3.025 2.455 ( -0.215 0.000 -0.004) 0.215 2.492 ( -1.078 0.000 -3.622) 3.779 2.738 ( -4.276 0.000 5.372) 6.866 3.028 ( 0.100 0.000 1.172) 1.176 3.077 ( -4.362 0.000 10.672) 11.529 3.273 ( -0.984 0.000 6.483) 6.557 3.459 ( 0.686 0.000 -4.420) 4.473 3.503 ( 0.449 0.000 1.629) 1.689 3.578 ( 0.820 0.000 6.620) 6.671 3.732 ( 2.321 0.000 -8.489) 8.801 3.852 ( 0.610 0.000 -0.939) 1.119 3.901 ( 2.339 0.000 -4.604) 5.164 3.988 ( 0.501 0.000 -0.758) 0.909 4.008 ( 0.642 0.000 -4.031) 4.082 4.582 ( -4.833 0.000 10.668) 11.711 4.633 ( -0.129 0.000 8.400) 8.401 4.889 ( -0.829 0.000 -1.508) 1.721 5.054 ( -1.469 0.000 1.874) 2.381 5.083 ( -2.495 0.000 8.448) 8.809 5.247 ( 5.448 0.000 -5.525) 7.760 5.416 ( -1.617 0.000 3.536) 3.888 5.492 ( 0.133 0.000 -1.641) 1.646 5.548 ( -0.963 0.000 -0.798) 1.251 5.842 ( 2.325 0.000 -2.467) 3.390 5.847 ( -0.694 0.000 -1.353) 1.521 6.211 ( 8.720 0.000 -5.084) 10.094 6.534 ( -1.345 0.000 6.273) 6.416 6.613 ( -0.295 0.000 -0.428) 0.520 6.813 ( -0.382 0.000 3.336) 3.358 6.917 ( 1.551 0.000 -4.133) 4.414 7.051 ( 0.706 0.000 -5.038) 5.087 7.118 ( 1.291 0.000 -2.808) 3.091 7.314 ( 0.467 0.000 -0.473) 0.665 7.341 ( 0.894 0.000 0.740) 1.161 7.928 ( -2.901 0.000 13.362) 13.673 7.976 ( -1.064 0.000 5.878) 5.974 8.315 ( 0.308 0.000 -0.304) 0.433 8.752 ( 4.521 0.000 -8.591) 9.708 9.032 ( -7.328 0.000 18.628) 20.018 9.155 ( -1.737 0.000 8.089) 8.273 9.289 ( -2.601 0.000 1.824) 3.177 9.548 ( 0.122 0.000 1.288) 1.294 9.677 ( 3.285 0.000 -9.033) 9.612 9.860 ( 6.820 0.000 -12.505) 14.244 9.971 ( 5.536 0.000 -7.629) 9.426 9.982 ( 4.067 0.000 -11.566) 12.260 10.289 ( 0.796 0.000 4.077) 4.154 10.396 ( -2.388 0.000 0.955) 2.572 10.793 ( -4.849 0.000 10.199) 11.293 11.049 ( 0.662 0.000 5.273) 5.314 11.174 ( -5.334 0.000 12.261) 13.371 11.325 ( -1.811 0.000 -2.851) 3.377 11.427 ( 2.198 0.000 -3.831) 4.417 11.737 ( 1.507 0.000 -5.129) 5.346 11.757 ( -0.963 0.000 2.725) 2.891 11.951 ( 4.222 0.000 -5.792) 7.168 13.101 ( -3.067 0.000 -0.116) 3.069 13.240 ( 4.556 0.000 2.194) 5.057 14.276 ( -2.621 0.000 3.860) 4.665 14.351 ( -2.019 0.000 2.736) 3.400 14.384 ( 1.123 0.000 -0.221) 1.145 14.642 ( 0.380 0.000 -5.668) 5.680 15.078 ( 5.941 0.000 -11.389) 12.846 15.108 ( 7.671 0.000 -8.334) 11.327 16.023 ( -0.084 0.000 4.481) 4.482 16.194 ( 0.903 0.000 1.777) 1.993 16.455 ( -1.152 0.000 9.419) 9.489 16.699 ( 4.734 0.000 1.663) 5.018 17.842 ( -2.878 0.000 -2.037) 3.526 17.869 ( 5.600 0.000 9.257) 10.819 18.119 ( -0.281 0.000 2.238) 2.255 18.213 ( -1.265 0.000 -1.631) 2.064 18.743 ( 0.391 0.000 3.149) 3.174 18.859 ( -1.381 0.000 -1.466) 2.014 19.848 ( -3.136 0.000 5.405) 6.249 19.917 ( -5.260 0.000 4.804) 7.123 20.033 ( -1.933 0.000 5.965) 6.270 20.289 ( 3.077 0.000 -5.402) 6.217 20.336 ( -0.302 0.000 -5.762) 5.770 20.399 ( 4.263 0.000 -3.468) 5.496 ======================= Grid point 91 (46/87) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -6.612 0.000 8.304) 10.615 0.504 ( -5.968 0.000 6.843) 9.080 0.736 ( -6.739 0.000 5.302) 8.574 0.818 ( 4.762 0.000 -2.080) 5.196 0.877 ( -0.575 0.000 2.023) 2.103 0.982 ( 0.618 0.000 -0.305) 0.689 1.030 ( 1.321 0.000 -2.302) 2.654 1.080 ( -3.379 0.000 6.102) 6.975 1.103 ( -1.306 0.000 -1.910) 2.314 1.105 ( 2.580 0.000 -1.981) 3.253 1.213 ( 0.635 0.000 0.580) 0.860 1.218 ( -0.549 0.000 2.569) 2.627 1.255 ( -3.860 0.000 3.322) 5.093 1.333 ( -2.425 0.000 1.705) 2.964 1.345 ( 0.766 0.000 -1.168) 1.397 1.424 ( -0.499 0.000 0.066) 0.504 1.470 ( -2.782 0.000 1.025) 2.965 1.492 ( 0.634 0.000 -3.571) 3.627 1.592 ( 0.708 0.000 4.767) 4.819 1.690 ( -1.387 0.000 -4.293) 4.511 1.752 ( 1.903 0.000 -4.525) 4.909 1.781 ( 1.183 0.000 -4.918) 5.059 1.908 ( -4.101 0.000 -0.229) 4.108 1.951 ( 1.320 0.000 0.432) 1.389 2.034 ( 1.872 0.000 -1.681) 2.516 2.180 ( -1.447 0.000 2.491) 2.881 2.212 ( 1.991 0.000 0.681) 2.104 2.309 ( -0.182 0.000 -1.161) 1.175 2.425 ( -3.172 0.000 -0.372) 3.194 2.467 ( 0.742 0.000 -0.647) 0.984 2.697 ( -3.877 0.000 3.285) 5.081 3.025 ( -1.346 0.000 1.014) 1.685 3.090 ( -3.963 0.000 10.680) 11.391 3.291 ( -2.406 0.000 5.593) 6.088 3.440 ( 1.520 0.000 -4.412) 4.666 3.528 ( 0.874 0.000 1.500) 1.736 3.653 ( 1.241 0.000 6.336) 6.457 3.713 ( 3.315 0.000 -8.510) 9.133 3.854 ( 0.313 0.000 -0.539) 0.624 3.910 ( 3.113 0.000 -5.050) 5.932 3.990 ( 0.236 0.000 0.018) 0.237 4.002 ( 2.387 0.000 -4.068) 4.716 4.589 ( -4.082 0.000 10.469) 11.237 4.688 ( -0.349 0.000 6.100) 6.110 4.869 ( 0.444 0.000 -2.474) 2.513 5.044 ( -0.836 0.000 0.772) 1.138 5.112 ( -1.810 0.000 7.887) 8.092 5.295 ( 4.476 0.000 -4.695) 6.487 5.419 ( -1.801 0.000 4.779) 5.107 5.482 ( 0.524 0.000 -2.094) 2.158 5.529 ( -0.766 0.000 -0.083) 0.770 5.821 ( 0.223 0.000 -3.687) 3.693 5.857 ( 1.958 0.000 -3.039) 3.615 6.266 ( 2.989 0.000 -9.737) 10.186 6.568 ( -0.932 0.000 6.760) 6.824 6.602 ( -0.043 0.000 -1.436) 1.437 6.804 ( -3.195 0.000 2.485) 4.048 6.919 ( 2.507 0.000 -4.411) 5.074 7.034 ( 1.769 0.000 -4.324) 4.672 7.122 ( 1.212 0.000 -2.276) 2.578 7.320 ( 0.116 0.000 0.460) 0.475 7.423 ( 7.453 0.000 -0.950) 7.513 8.007 ( -1.012 0.000 5.938) 6.024 8.045 ( 3.552 0.000 14.084) 14.525 8.318 ( 0.186 0.000 0.720) 0.744 8.763 ( 3.938 0.000 -7.384) 8.368 9.077 ( -5.383 0.000 21.148) 21.822 9.186 ( -1.924 0.000 7.270) 7.521 9.257 ( -2.044 0.000 0.776) 2.186 9.562 ( 0.284 0.000 1.315) 1.345 9.697 ( 5.859 0.000 -4.336) 7.289 9.850 ( 4.667 0.000 -15.452) 16.142 9.966 ( 4.828 0.000 -11.403) 12.383 10.019 ( 6.805 0.000 -7.659) 10.246 10.347 ( 0.877 0.000 6.029) 6.093 10.371 ( -1.338 0.000 1.172) 1.779 10.835 ( -0.254 0.000 13.323) 13.326 11.109 ( 0.055 0.000 5.215) 5.216 11.160 ( -6.205 0.000 11.568) 13.127 11.299 ( 1.532 0.000 -2.037) 2.549 11.430 ( 1.267 0.000 -3.165) 3.409 11.716 ( 1.219 0.000 -5.511) 5.644 11.762 ( -1.397 0.000 3.522) 3.789 11.966 ( 2.212 0.000 -6.047) 6.439 13.039 ( -4.053 0.000 0.883) 4.148 13.357 ( 8.164 0.000 -1.371) 8.279 14.263 ( -2.276 0.000 3.777) 4.410 14.336 ( -2.089 0.000 2.497) 3.256 14.406 ( 1.405 0.000 -0.091) 1.408 14.595 ( -0.460 0.000 -5.526) 5.545 15.100 ( 7.101 0.000 -12.290) 14.194 15.139 ( 3.424 0.000 -10.345) 10.897 16.060 ( 0.484 0.000 3.362) 3.397 16.214 ( 0.310 0.000 -1.048) 1.093 16.514 ( -0.439 0.000 8.053) 8.065 16.813 ( 7.290 0.000 0.004) 7.290 17.782 ( -1.884 0.000 -1.637) 2.496 18.025 ( 4.503 0.000 -1.469) 4.737 18.183 ( -0.713 0.000 -1.008) 1.235 18.202 ( 6.460 0.000 9.138) 11.191 18.813 ( 4.068 0.000 10.985) 11.714 18.847 ( 0.857 0.000 -0.190) 0.878 19.825 ( -8.798 0.000 4.025) 9.675 19.838 ( -2.229 0.000 2.790) 3.571 20.068 ( -0.395 0.000 6.323) 6.335 20.241 ( -5.639 0.000 -4.915) 7.480 20.304 ( 3.569 0.000 -5.750) 6.768 20.461 ( 5.342 0.000 -2.819) 6.040 ======================= Grid point 92 (47/87) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -4.550 0.000 12.271) 13.088 0.499 ( -2.619 0.000 11.213) 11.514 0.672 ( -7.200 0.000 10.802) 12.982 0.896 ( 1.692 0.000 2.074) 2.676 0.905 ( 5.427 0.000 -2.061) 5.805 0.991 ( -0.035 0.000 0.022) 0.041 1.027 ( 1.470 0.000 -4.123) 4.377 1.032 ( -3.411 0.000 1.767) 3.842 1.111 ( 0.372 0.000 2.770) 2.795 1.144 ( 2.643 0.000 -1.502) 3.040 1.197 ( -3.238 0.000 2.028) 3.821 1.219 ( -0.804 0.000 0.516) 0.956 1.225 ( -1.206 0.000 0.506) 1.308 1.301 ( -2.495 0.000 0.571) 2.560 1.356 ( 0.896 0.000 -0.381) 0.973 1.379 ( -1.775 0.000 -1.582) 2.378 1.463 ( -0.898 0.000 2.239) 2.412 1.470 ( 0.366 0.000 -3.569) 3.587 1.599 ( -0.578 0.000 -2.204) 2.279 1.674 ( -0.003 0.000 2.442) 2.442 1.752 ( 1.532 0.000 -5.074) 5.300 1.778 ( 3.690 0.000 -4.165) 5.565 1.824 ( -5.078 0.000 1.425) 5.274 1.981 ( 1.887 0.000 -0.561) 1.968 2.048 ( 0.249 0.000 -0.178) 0.306 2.179 ( -1.757 0.000 4.135) 4.492 2.276 ( 3.761 0.000 0.895) 3.866 2.286 ( -1.086 0.000 -1.739) 2.050 2.351 ( -4.009 0.000 -0.513) 4.042 2.518 ( 5.643 0.000 -1.366) 5.806 2.664 ( -2.566 0.000 2.812) 3.807 2.996 ( -2.039 0.000 -1.038) 2.288 3.105 ( -4.039 0.000 10.354) 11.114 3.287 ( -3.036 0.000 5.888) 6.625 3.443 ( 2.381 0.000 -3.972) 4.631 3.556 ( 0.899 0.000 1.457) 1.712 3.709 ( -0.024 0.000 4.441) 4.441 3.712 ( 3.858 0.000 -7.690) 8.604 3.858 ( 0.649 0.000 -0.271) 0.703 3.924 ( 3.230 0.000 -5.740) 6.587 3.999 ( 0.147 0.000 1.275) 1.284 4.023 ( 3.286 0.000 -3.543) 4.832 4.602 ( -3.991 0.000 10.254) 11.003 4.705 ( -2.712 0.000 3.616) 4.520 4.869 ( 1.908 0.000 -2.485) 3.133 5.040 ( -0.137 0.000 0.285) 0.317 5.139 ( -1.603 0.000 6.149) 6.355 5.320 ( 2.827 0.000 -5.814) 6.465 5.430 ( -1.967 0.000 5.964) 6.280 5.482 ( 1.311 0.000 -1.658) 2.114 5.520 ( -0.520 0.000 0.649) 0.832 5.803 ( 1.233 0.000 -3.774) 3.970 5.846 ( -1.324 0.000 -3.470) 3.714 6.165 ( -4.794 0.000 -7.280) 8.717 6.589 ( -0.029 0.000 -1.500) 1.500 6.602 ( -1.129 0.000 5.878) 5.985 6.763 ( -3.141 0.000 2.430) 3.971 6.932 ( 2.954 0.000 -4.447) 5.339 7.043 ( 2.669 0.000 -3.515) 4.413 7.118 ( 0.452 0.000 -2.302) 2.346 7.324 ( -0.330 0.000 1.099) 1.148 7.525 ( 6.356 0.000 -5.505) 8.409 8.030 ( -1.785 0.000 5.940) 6.203 8.189 ( 2.496 0.000 3.318) 4.152 8.336 ( -0.121 0.000 1.359) 1.364 8.769 ( 3.210 0.000 -6.875) 7.587 9.157 ( -5.354 0.000 17.566) 18.363 9.202 ( -2.523 0.000 6.542) 7.012 9.234 ( -0.882 0.000 1.238) 1.520 9.574 ( -0.217 0.000 1.151) 1.172 9.781 ( 2.259 0.000 -16.203) 16.360 9.816 ( 9.340 0.000 -3.771) 10.073 9.976 ( 6.381 0.000 -11.020) 12.734 10.073 ( 5.248 0.000 -6.246) 8.158 10.389 ( 1.749 0.000 4.399) 4.734 10.410 ( 1.623 0.000 4.043) 4.357 11.037 ( 12.489 0.000 11.357) 16.881 11.079 ( -6.807 0.000 7.410) 10.061 11.198 ( -0.806 0.000 8.472) 8.511 11.336 ( 2.966 0.000 0.090) 2.967 11.431 ( 1.675 0.000 -0.703) 1.816 11.696 ( 1.652 0.000 -5.973) 6.197 11.759 ( -2.227 0.000 3.357) 4.029 11.913 ( -3.632 0.000 -4.603) 5.864 12.990 ( -2.806 0.000 2.830) 3.985 13.479 ( 8.758 0.000 -7.712) 11.669 14.261 ( -1.179 0.000 3.603) 3.791 14.321 ( -1.861 0.000 2.496) 3.113 14.428 ( 1.348 0.000 -0.421) 1.412 14.547 ( -0.107 0.000 -5.063) 5.064 15.018 ( -9.374 0.000 -8.651) 12.755 15.124 ( 6.869 0.000 -12.607) 14.357 16.085 ( 0.031 0.000 1.437) 1.437 16.173 ( -2.400 0.000 -3.714) 4.422 16.554 ( -2.293 0.000 7.161) 7.519 16.937 ( 7.731 0.000 -3.321) 8.414 17.760 ( 0.358 0.000 -0.285) 0.457 18.027 ( 0.457 0.000 -5.860) 5.878 18.176 ( 0.352 0.000 0.081) 0.361 18.314 ( 1.912 0.000 -5.269) 5.605 18.887 ( 3.143 0.000 1.490) 3.478 19.146 ( 17.857 0.000 16.653) 24.417 19.694 ( -8.822 0.000 2.916) 9.291 19.711 ( -15.732 0.000 -11.664) 19.584 20.000 ( -7.327 0.000 4.368) 8.530 20.223 ( 2.581 0.000 8.722) 9.096 20.319 ( 3.146 0.000 -5.369) 6.223 20.528 ( 4.391 0.000 -2.575) 5.090 ======================= Grid point 93 (48/87) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -1.047 -1.006 14.780) 14.851 0.549 ( -5.591 0.884 10.474) 11.905 0.801 ( -1.874 3.482 2.813) 4.852 0.863 ( -2.347 -8.096 2.595) 8.819 0.928 ( -1.312 -0.038 2.541) 2.860 0.964 ( -1.150 2.676 2.177) 3.636 1.007 ( 0.403 -2.307 -0.668) 2.436 1.060 ( 0.338 -0.512 -1.244) 1.387 1.107 ( -0.058 1.212 -2.273) 2.576 1.118 ( 0.751 -1.164 -2.431) 2.798 1.183 ( 0.926 -0.020 -0.334) 0.985 1.224 ( -0.256 2.578 1.540) 3.014 1.257 ( -0.408 1.658 0.472) 1.772 1.299 ( -0.876 2.472 0.246) 2.634 1.338 ( 0.976 3.144 -1.954) 3.828 1.392 ( -0.416 -1.594 0.074) 1.649 1.444 ( 0.859 0.765 -2.837) 3.061 1.485 ( -0.441 0.684 1.911) 2.077 1.534 ( 2.971 -4.756 -0.615) 5.642 1.613 ( -0.245 -5.575 1.079) 5.684 1.742 ( -1.144 -1.047 1.960) 2.499 1.773 ( 0.370 0.392 -2.071) 2.140 1.857 ( 4.298 2.042 -3.183) 5.725 1.988 ( 1.292 -3.243 -1.521) 3.808 2.040 ( -3.229 -0.751 1.745) 3.747 2.082 ( -0.789 -2.652 -0.469) 2.806 2.203 ( -0.345 -0.634 0.911) 1.162 2.245 ( 2.416 -1.927 1.409) 3.397 2.380 ( 0.234 -1.428 1.591) 2.150 2.478 ( 3.709 -8.409 -1.247) 9.275 2.802 ( -0.047 9.228 2.611) 9.590 2.942 ( -2.645 -0.129 -0.373) 2.674 3.095 ( -3.740 0.086 8.347) 9.147 3.281 ( -3.216 -0.076 7.599) 8.252 3.420 ( -0.369 -2.550 -1.141) 2.818 3.605 ( -0.772 -0.518 3.517) 3.638 3.703 ( 1.385 4.572 -1.937) 5.155 3.761 ( 2.337 2.914 -4.605) 5.929 3.860 ( 1.404 -2.717 -3.361) 4.544 3.964 ( 2.415 -0.820 -4.572) 5.235 4.118 ( 0.484 6.086 1.575) 6.305 4.173 ( 1.112 10.813 -1.306) 10.949 4.301 ( -3.122 -6.647 5.409) 9.121 4.693 ( 0.180 -8.241 -0.625) 8.267 4.898 ( 0.779 -1.518 -1.489) 2.264 5.021 ( 1.078 -4.087 -2.951) 5.155 5.188 ( -3.207 5.014 4.557) 7.496 5.308 ( -1.049 0.281 -1.932) 2.217 5.426 ( 0.113 -0.893 0.863) 1.247 5.431 ( -0.458 -0.723 2.807) 2.935 5.642 ( 1.167 4.852 -5.028) 7.084 5.770 ( 0.972 -2.355 -4.662) 5.313 5.873 ( -0.287 6.928 -4.352) 8.186 6.089 ( 2.366 -1.176 -5.731) 6.310 6.614 ( -2.571 4.566 3.661) 6.392 6.718 ( -0.300 9.048 -0.081) 9.053 6.769 ( -1.499 3.306 3.400) 4.973 6.939 ( 2.379 -1.078 -2.412) 3.555 7.079 ( -0.554 -3.675 -0.790) 3.799 7.102 ( 0.185 -3.480 -1.330) 3.730 7.342 ( 0.768 8.395 -0.246) 8.434 7.614 ( 2.370 2.523 -7.069) 7.871 7.946 ( -1.561 -5.299 3.711) 6.655 8.124 ( -1.351 -7.169 -0.127) 7.296 8.623 ( -3.439 18.701 -0.985) 19.040 8.846 ( 0.898 6.484 -5.542) 8.577 9.055 ( -8.525 -2.830 14.963) 17.452 9.146 ( -0.993 -2.255 4.916) 5.499 9.297 ( -1.789 5.096 4.124) 6.795 9.602 ( 2.278 -6.306 -13.510) 15.082 9.767 ( -1.065 10.769 -0.071) 10.822 9.904 ( 5.931 -0.253 -7.903) 9.884 10.019 ( -1.133 -6.020 -1.396) 6.283 10.087 ( 2.331 7.946 -8.861) 12.128 10.329 ( 4.192 -9.645 -4.201) 11.325 10.434 ( 1.379 -3.283 1.503) 3.865 11.020 ( -5.251 -0.037 10.032) 11.323 11.173 ( -0.882 -5.283 7.302) 9.056 11.364 ( 3.275 5.366 2.923) 6.933 11.447 ( 6.045 5.764 -3.721) 9.144 11.565 ( 5.587 -2.462 -0.916) 6.174 11.643 ( -0.930 0.652 -7.396) 7.483 11.733 ( -2.559 0.635 1.174) 2.886 11.842 ( -3.477 0.954 -0.360) 3.623 12.944 ( 1.722 -1.800 0.190) 2.498 13.293 ( 0.768 -14.180 -9.420) 17.041 14.285 ( 0.340 0.490 2.424) 2.497 14.335 ( -0.623 -0.062 1.740) 1.849 14.463 ( 3.482 0.828 -2.247) 4.227 14.513 ( 1.100 0.432 -3.724) 3.907 14.926 ( -11.907 13.891 0.446) 18.301 15.202 ( 1.592 3.220 -10.192) 10.807 16.118 ( -4.088 3.418 -1.773) 5.616 16.198 ( 1.051 6.516 -3.696) 7.565 16.504 ( -4.813 -1.499 5.941) 7.791 16.894 ( 2.694 -9.877 -6.866) 12.327 17.795 ( 0.224 1.438 1.837) 2.343 17.933 ( -3.332 -2.096 -4.038) 5.639 18.190 ( 0.433 -0.190 1.085) 1.184 18.223 ( -1.827 -1.618 -0.367) 2.468 18.971 ( 1.132 -0.122 5.275) 5.397 19.094 ( -18.387 -5.712 3.554) 19.579 19.465 ( 5.866 -0.510 4.057) 7.150 19.578 ( 0.091 -2.994 0.055) 2.996 20.052 ( -1.705 4.907 6.762) 8.527 20.258 ( -0.395 -3.598 5.665) 6.723 20.416 ( 3.012 4.243 -4.681) 6.999 20.544 ( 1.906 -1.656 -3.258) 4.122 ======================= Grid point 94 (49/87) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 1.228 -1.841 11.392) 11.605 0.568 ( -1.445 -1.397 10.521) 10.711 0.760 ( -4.226 -2.802 3.370) 6.089 0.850 ( -0.657 -6.036 -0.133) 6.073 0.928 ( -2.036 1.028 3.468) 4.151 0.958 ( 0.363 -1.535 -0.153) 1.584 1.016 ( -0.606 -1.247 0.367) 1.435 1.059 ( -1.708 -0.578 2.573) 3.142 1.064 ( 0.374 -0.847 -4.704) 4.794 1.101 ( 1.139 -0.641 -1.178) 1.760 1.196 ( -1.059 3.039 -0.872) 3.334 1.226 ( 0.673 1.455 -0.030) 1.604 1.261 ( 0.263 1.226 -0.353) 1.302 1.300 ( -0.672 2.038 2.315) 3.157 1.366 ( 2.041 3.608 0.456) 4.170 1.384 ( 1.367 -0.694 -1.965) 2.492 1.434 ( -0.044 1.087 -1.039) 1.504 1.479 ( -0.958 1.020 0.921) 1.675 1.584 ( -1.033 -4.213 1.598) 4.623 1.648 ( 6.198 -4.143 -0.383) 7.465 1.750 ( -0.662 -1.828 3.571) 4.066 1.787 ( 3.612 0.760 -2.964) 4.734 1.896 ( 2.547 -0.029 -3.329) 4.192 1.977 ( -0.595 -5.725 -3.588) 6.783 2.012 ( -0.854 -0.852 0.624) 1.358 2.059 ( -0.537 0.158 -0.441) 0.713 2.211 ( -0.054 1.058 1.896) 2.172 2.310 ( 3.498 -2.413 0.579) 4.289 2.403 ( 0.827 -1.360 1.347) 2.086 2.518 ( 2.600 -7.037 -3.192) 8.152 2.821 ( -0.716 8.725 2.768) 9.182 2.903 ( -0.848 -0.359 -0.364) 0.991 3.094 ( -4.241 -0.451 8.833) 9.808 3.281 ( -3.655 1.666 7.092) 8.151 3.394 ( -1.930 -2.532 -0.197) 3.190 3.610 ( -1.431 1.272 2.979) 3.541 3.697 ( -0.166 5.064 -1.931) 5.422 3.760 ( 1.942 1.130 -4.866) 5.360 3.850 ( 0.366 -2.969 -2.984) 4.225 3.962 ( 2.122 0.009 -5.574) 5.964 4.115 ( -1.631 8.644 1.070) 8.861 4.186 ( 0.419 3.486 0.746) 3.589 4.295 ( -1.554 -1.801 3.265) 4.040 4.682 ( -1.471 -7.378 0.974) 7.586 4.885 ( -0.589 -1.858 -1.657) 2.559 5.022 ( 1.715 -3.340 -2.304) 4.406 5.169 ( -3.023 3.567 4.109) 6.224 5.270 ( -0.978 0.587 -2.197) 2.475 5.438 ( -1.658 0.814 4.041) 4.443 5.462 ( 1.873 -1.082 0.902) 2.344 5.629 ( 1.732 3.135 -4.474) 5.731 5.756 ( 0.211 -3.977 -1.647) 4.309 5.838 ( 0.695 9.679 -3.893) 10.456 6.084 ( 1.946 -0.215 -5.423) 5.766 6.595 ( -2.725 3.947 3.411) 5.885 6.711 ( -0.668 8.935 0.661) 8.985 6.778 ( -0.766 4.413 3.242) 5.529 6.958 ( 1.967 -1.178 -2.550) 3.429 7.069 ( 0.194 -4.132 -0.865) 4.226 7.093 ( 0.026 -3.777 -1.289) 3.991 7.354 ( 0.566 7.959 0.369) 7.988 7.586 ( 1.164 2.118 -7.492) 7.872 7.940 ( -2.557 -4.996 3.679) 6.711 8.077 ( -4.522 -6.176 2.234) 7.974 8.532 ( -6.338 20.596 1.899) 21.633 8.816 ( 0.684 4.808 -5.255) 7.155 9.028 ( -8.586 -2.330 16.220) 18.500 9.174 ( -2.107 -2.119 7.197) 7.793 9.292 ( -0.795 5.618 0.877) 5.741 9.554 ( 3.018 -6.317 -9.057) 11.448 9.742 ( -1.571 10.025 -0.012) 10.147 9.907 ( 2.363 -0.667 -9.365) 9.682 9.987 ( -1.260 -6.595 -0.545) 6.737 10.066 ( 2.926 7.444 -7.879) 11.228 10.334 ( -0.024 -8.220 -2.615) 8.626 10.485 ( 4.207 -7.354 -2.184) 8.750 10.994 ( -5.888 2.142 8.170) 10.296 11.174 ( -6.011 -3.370 8.933) 11.282 11.359 ( -13.141 8.086 2.292) 15.599 11.444 ( 0.370 2.700 3.069) 4.104 11.549 ( 1.592 2.705 -6.789) 7.479 11.615 ( 2.488 -4.494 -6.668) 8.417 11.709 ( -1.715 -1.857 3.373) 4.215 11.878 ( 6.159 -3.196 -3.634) 7.833 12.983 ( 2.219 -3.507 0.441) 4.173 13.191 ( -3.974 -9.625 -5.552) 11.801 14.304 ( -0.773 0.224 3.063) 3.167 14.336 ( -0.470 0.230 1.073) 1.194 14.481 ( -1.625 3.302 -1.392) 3.934 14.523 ( 5.008 0.341 -3.516) 6.128 14.819 ( -1.472 10.818 3.331) 11.414 15.161 ( 1.781 0.384 -7.525) 7.742 16.053 ( -2.618 1.641 0.024) 3.090 16.185 ( 0.344 3.679 -2.218) 4.310 16.441 ( -7.466 -0.403 6.433) 9.864 16.832 ( -3.561 -9.353 -5.782) 11.558 17.799 ( -2.073 0.667 1.236) 2.504 17.866 ( -1.046 0.188 0.449) 1.154 18.183 ( -1.378 0.789 0.698) 1.734 18.222 ( 1.058 -0.293 0.505) 1.208 18.827 ( -11.889 2.763 4.481) 13.003 19.025 ( -2.268 -4.318 6.338) 7.998 19.564 ( 6.150 0.892 0.384) 6.226 19.699 ( 7.920 -2.058 2.448) 8.542 20.076 ( -0.858 3.778 4.404) 5.866 20.270 ( -1.650 -3.500 2.595) 4.658 20.414 ( 0.535 3.400 -3.628) 5.001 20.524 ( -0.869 -1.540 -3.717) 4.117 ======================= Grid point 95 (50/87) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 1.051 -1.031 3.574) 3.865 0.667 ( 0.916 -4.680 11.030) 12.017 0.730 ( -2.249 -3.274 3.661) 5.402 0.836 ( -0.118 -2.925 -1.721) 3.396 0.914 ( -1.379 -1.612 1.259) 2.467 0.960 ( 0.158 -0.159 -2.320) 2.331 0.978 ( -2.499 -2.026 0.912) 3.344 1.056 ( 0.822 -0.646 -0.354) 1.103 1.075 ( -0.302 1.064 2.996) 3.194 1.133 ( 2.071 -2.296 0.729) 3.177 1.169 ( -0.008 3.041 -1.606) 3.438 1.230 ( -0.595 0.826 0.804) 1.297 1.265 ( 0.579 1.561 -0.012) 1.665 1.306 ( -0.057 0.635 1.676) 1.793 1.360 ( -1.043 -0.506 -0.691) 1.349 1.414 ( 0.374 0.585 -0.434) 0.819 1.433 ( 0.137 0.600 0.637) 0.885 1.494 ( 1.879 4.338 1.470) 4.950 1.567 ( -1.335 -3.357 1.154) 3.793 1.756 ( 4.822 -2.505 0.508) 5.458 1.772 ( 0.828 -1.989 1.615) 2.692 1.835 ( 2.854 0.070 -1.847) 3.400 1.889 ( 0.805 -0.181 -5.445) 5.507 1.938 ( 0.647 -7.374 -2.816) 7.920 1.996 ( -1.235 0.705 -0.952) 1.712 2.071 ( 2.364 -1.207 -1.007) 2.839 2.226 ( 0.388 2.053 0.876) 2.266 2.362 ( 2.008 -3.166 -0.097) 3.750 2.425 ( 0.449 -1.290 0.614) 1.498 2.520 ( 1.066 -3.750 -3.371) 5.154 2.823 ( -1.211 6.507 3.491) 7.483 2.907 ( 0.889 -0.831 -0.162) 1.228 3.088 ( -4.286 -0.365 8.568) 9.587 3.268 ( -3.445 2.497 5.734) 7.140 3.357 ( -2.312 -1.455 0.740) 2.830 3.608 ( -1.254 2.710 2.567) 3.938 3.672 ( -0.691 5.990 -1.989) 6.349 3.750 ( 1.699 -1.120 -5.522) 5.885 3.833 ( 0.260 -2.289 -1.953) 3.021 3.953 ( 2.249 0.365 -6.167) 6.575 4.093 ( -1.572 9.108 0.853) 9.282 4.197 ( 0.023 1.810 1.086) 2.110 4.291 ( -1.819 -1.885 2.974) 3.963 4.663 ( -2.059 -6.653 2.275) 7.326 4.862 ( -0.446 -2.516 -1.553) 2.990 5.040 ( 1.821 -3.057 -1.576) 3.892 5.146 ( -3.380 3.433 4.508) 6.598 5.243 ( -0.211 1.418 -1.906) 2.385 5.430 ( -2.131 1.252 2.830) 3.757 5.492 ( 0.445 -1.211 0.819) 1.528 5.634 ( 2.068 2.903 -2.550) 4.382 5.749 ( -0.955 -2.719 1.922) 3.463 5.851 ( 4.105 7.407 -3.870) 9.311 6.069 ( 1.466 -0.475 -5.753) 5.956 6.576 ( -2.447 4.447 3.270) 6.038 6.706 ( -0.806 8.566 1.093) 8.673 6.792 ( -0.534 4.924 2.992) 5.787 6.963 ( 1.041 -0.769 -2.862) 3.141 7.069 ( 0.349 -5.737 -0.757) 5.797 7.087 ( 0.659 -3.303 -1.413) 3.652 7.366 ( 0.638 7.782 -0.144) 7.809 7.539 ( 0.560 2.362 -7.789) 8.159 7.910 ( -4.069 -4.259 3.494) 6.848 8.020 ( -5.035 -4.918 5.072) 8.675 8.458 ( -4.811 17.151 4.500) 18.373 8.787 ( 0.942 3.223 -5.365) 6.330 9.010 ( -8.332 -1.979 16.285) 18.399 9.176 ( -4.045 0.408 7.396) 8.440 9.293 ( 0.639 4.462 -0.428) 4.527 9.563 ( 4.672 -7.048 -6.308) 10.550 9.718 ( -1.433 9.203 0.966) 9.364 9.852 ( 0.190 -0.466 -9.073) 9.087 9.961 ( 0.056 -5.038 -3.744) 6.277 10.063 ( 2.325 4.962 -4.472) 7.073 10.307 ( 0.181 -4.801 -3.481) 5.933 10.524 ( 2.324 -6.960 -3.673) 8.206 10.955 ( -5.153 0.542 7.482) 9.101 11.106 ( -14.156 -1.491 7.804) 16.233 11.128 ( -10.291 1.518 7.891) 13.057 11.449 ( -1.535 -0.768 -0.635) 1.830 11.539 ( 1.206 6.087 -3.796) 7.274 11.608 ( 4.101 -4.011 -6.751) 8.859 11.727 ( 0.420 -0.960 2.644) 2.844 11.929 ( 3.103 -3.550 -4.187) 6.306 13.021 ( 1.318 -5.313 0.727) 5.522 13.106 ( -2.159 -6.443 -1.414) 6.941 14.307 ( -1.985 0.240 3.772) 4.269 14.338 ( -0.389 -0.394 1.152) 1.279 14.444 ( -2.001 4.650 0.944) 5.149 14.576 ( 3.957 -1.785 -3.603) 5.641 14.880 ( 6.242 6.865 -1.658) 9.426 15.146 ( 2.673 0.189 -6.084) 6.649 16.023 ( -1.738 1.104 2.044) 2.901 16.178 ( -0.331 0.900 0.790) 1.242 16.365 ( -6.614 -0.002 6.303) 9.137 16.709 ( -5.775 -6.635 -2.662) 9.190 17.766 ( -2.294 2.878 1.734) 4.068 17.880 ( 0.597 -1.543 1.308) 2.109 18.171 ( -0.427 2.318 0.115) 2.360 18.243 ( 0.781 -0.540 0.284) 0.991 18.725 ( -4.256 4.111 3.572) 6.912 19.006 ( -4.512 -6.660 4.159) 9.056 19.708 ( 8.531 3.061 1.727) 9.226 19.830 ( 3.498 0.499 4.790) 5.953 20.089 ( -0.767 2.268 2.228) 3.271 20.258 ( -0.412 -3.663 0.066) 3.687 20.382 ( -0.694 2.269 -3.707) 4.401 20.463 ( -2.195 -1.279 -4.158) 4.873 ======================= Grid point 96 (51/87) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.166 -2.938 0.879) 3.072 0.737 ( -0.437 -0.258 3.416) 3.454 0.748 ( -0.698 -4.612 8.377) 9.588 0.821 ( -0.079 1.397 -1.488) 2.043 0.890 ( -1.692 -1.220 -1.475) 2.555 0.930 ( -0.303 -2.557 -1.729) 3.101 0.972 ( -0.494 -0.714 2.177) 2.344 1.062 ( -0.154 -0.873 -0.395) 0.970 1.078 ( -1.258 1.600 1.898) 2.783 1.171 ( 1.634 -0.470 1.060) 2.004 1.183 ( 1.074 1.154 -0.164) 1.585 1.230 ( 0.182 0.340 1.546) 1.593 1.278 ( 0.219 0.658 0.994) 1.212 1.326 ( 0.809 -1.228 -0.330) 1.507 1.340 ( -0.323 -0.297 1.123) 1.206 1.403 ( -1.280 0.509 1.154) 1.797 1.444 ( -0.128 -0.206 1.225) 1.249 1.520 ( 0.625 0.721 -1.712) 1.960 1.572 ( -0.704 0.878 4.262) 4.408 1.789 ( -1.306 -1.184 -1.689) 2.441 1.799 ( 2.001 -0.677 -2.880) 3.572 1.826 ( -1.473 -5.983 2.227) 6.552 1.882 ( 3.264 1.577 -5.075) 6.236 1.952 ( -1.667 -0.518 0.048) 1.746 1.965 ( 2.638 -1.149 -3.498) 4.530 2.122 ( 4.757 -4.721 -2.179) 7.048 2.234 ( 0.663 1.835 -1.277) 2.332 2.374 ( -0.091 -2.540 -2.343) 3.457 2.416 ( -1.356 -0.686 0.653) 1.654 2.519 ( 0.711 -2.549 -1.378) 2.984 2.841 ( -0.761 5.191 4.537) 6.936 2.922 ( 0.967 -0.967 0.442) 1.437 3.085 ( -3.448 -0.192 7.538) 8.291 3.258 ( -2.575 0.950 4.984) 5.690 3.332 ( -1.493 -0.193 1.659) 2.240 3.601 ( -1.749 3.086 1.885) 4.017 3.650 ( 0.123 6.623 -2.031) 6.928 3.737 ( 1.801 -1.772 -4.957) 5.563 3.832 ( 1.048 -1.852 -1.287) 2.487 3.942 ( 2.215 0.685 -6.373) 6.782 4.075 ( -1.201 8.309 0.659) 8.421 4.198 ( 0.290 6.538 -1.889) 6.812 4.287 ( -2.568 -7.650 6.199) 10.175 4.649 ( -1.724 -6.548 2.501) 7.218 4.843 ( -0.337 -2.865 -1.836) 3.419 5.051 ( 0.591 -2.967 -1.136) 3.231 5.129 ( -3.106 4.030 5.718) 7.654 5.237 ( 1.197 2.203 -1.456) 2.900 5.419 ( -1.422 0.743 2.673) 3.118 5.491 ( -0.634 -1.672 -0.177) 1.797 5.655 ( 1.727 4.560 -1.138) 5.007 5.760 ( -0.058 -1.684 3.155) 3.576 5.900 ( 4.649 4.760 -4.433) 7.995 6.051 ( 2.003 -1.426 -5.486) 6.011 6.566 ( -1.809 5.840 3.674) 7.133 6.700 ( -0.730 8.005 0.963) 8.096 6.808 ( -0.301 4.692 2.930) 5.541 6.951 ( 0.474 -0.237 -3.155) 3.200 7.065 ( -0.127 -6.924 -0.592) 6.951 7.092 ( 1.201 -2.606 -1.657) 3.313 7.370 ( 0.513 7.559 -1.619) 7.748 7.488 ( 0.757 3.406 -7.353) 8.139 7.867 ( -3.966 -3.521 4.334) 6.849 7.981 ( -4.324 -4.193 5.259) 7.996 8.435 ( -2.471 14.825 5.514) 16.009 8.768 ( 1.581 1.728 -4.927) 5.456 8.994 ( -8.559 -2.430 16.467) 18.716 9.166 ( -3.289 2.461 7.015) 8.129 9.298 ( -0.199 3.446 0.157) 3.455 9.602 ( 5.835 -7.190 -7.790) 12.101 9.715 ( 0.123 6.564 1.429) 6.718 9.778 ( -0.500 0.837 -8.091) 8.149 9.934 ( 1.678 -3.511 -6.338) 7.437 10.073 ( 1.279 2.656 -0.985) 3.108 10.294 ( 1.991 0.360 -4.543) 4.973 10.496 ( -1.859 -3.490 -3.738) 5.441 10.912 ( -12.336 -1.458 8.125) 14.843 10.954 ( -2.423 -3.650 7.916) 9.047 11.055 ( -6.968 -2.378 7.553) 10.547 11.403 ( -1.305 -4.644 -3.031) 5.697 11.523 ( -0.679 5.813 -1.873) 6.145 11.642 ( 5.487 -1.161 -6.912) 8.901 11.753 ( 0.113 -0.295 2.379) 2.400 11.930 ( 1.058 -2.641 -3.709) 4.674 13.037 ( 0.032 -5.500 0.983) 5.587 13.089 ( 0.157 -6.073 0.130) 6.077 14.299 ( -2.465 0.223 4.121) 4.807 14.340 ( -0.515 -1.062 1.508) 1.915 14.426 ( -1.436 4.241 1.681) 4.782 14.599 ( 1.822 -3.531 -3.519) 5.308 14.983 ( 8.268 5.525 -4.847) 11.063 15.158 ( 4.471 2.468 -6.593) 8.339 16.023 ( -1.058 2.021 4.051) 4.649 16.187 ( -0.269 0.460 2.549) 2.604 16.318 ( -4.522 -1.712 6.725) 8.283 16.611 ( -3.719 -4.845 -0.094) 6.109 17.752 ( -1.185 3.378 2.610) 4.431 17.891 ( -0.483 -2.446 0.816) 2.623 18.164 ( -0.340 2.852 -0.451) 2.907 18.250 ( 0.013 -0.715 -0.320) 0.784 18.712 ( -0.771 3.356 3.133) 4.656 18.945 ( -4.352 -5.532 0.794) 7.084 19.857 ( 5.080 2.511 3.874) 6.864 19.892 ( -1.233 2.315 5.931) 6.485 20.083 ( -1.576 2.166 1.876) 3.270 20.270 ( 2.952 -3.657 -2.506) 5.326 20.338 ( -0.666 0.677 -4.180) 4.287 20.396 ( -1.248 -1.137 -4.190) 4.518 ======================= Grid point 97 (52/87) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -3.419 -1.507 0.487) 3.768 0.733 ( -4.212 2.639 4.320) 6.586 0.780 ( -0.264 -1.903 2.808) 3.402 0.819 ( -0.547 3.151 0.754) 3.286 0.844 ( -0.732 -2.605 -2.184) 3.477 0.934 ( 0.885 -2.454 1.008) 2.796 0.985 ( -0.495 -0.324 3.529) 3.578 1.046 ( -0.017 -0.775 -2.208) 2.340 1.079 ( 0.080 0.050 1.457) 1.460 1.174 ( -1.549 0.918 0.034) 1.801 1.209 ( 1.768 1.265 0.706) 2.286 1.256 ( 0.477 1.656 1.423) 2.235 1.281 ( -0.789 -0.230 1.219) 1.470 1.336 ( 0.831 -1.769 0.978) 2.186 1.358 ( 0.297 -1.783 0.767) 1.964 1.403 ( -0.207 1.441 2.417) 2.821 1.439 ( -1.912 -0.766 2.158) 2.983 1.509 ( 0.335 -1.266 -2.327) 2.670 1.582 ( -2.320 1.302 3.911) 4.730 1.740 ( -1.648 -2.520 -2.563) 3.954 1.761 ( -1.241 -2.672 -4.669) 5.521 1.846 ( -1.071 -5.852 4.747) 7.611 1.893 ( 0.455 3.236 -2.728) 4.257 1.914 ( 0.171 1.581 -1.868) 2.453 1.997 ( 3.711 -0.255 -4.045) 5.496 2.185 ( 4.607 -6.867 -3.408) 8.944 2.232 ( 0.350 1.614 -1.270) 2.083 2.311 ( -2.880 0.750 -4.932) 5.760 2.416 ( -0.451 -2.466 2.061) 3.246 2.504 ( -1.607 -3.044 -0.596) 3.493 2.854 ( -1.964 6.174 4.134) 7.686 2.955 ( 1.276 -1.443 2.472) 3.134 3.086 ( -2.845 -0.075 6.677) 7.258 3.258 ( -1.770 -2.546 4.529) 5.489 3.333 ( -0.097 0.325 2.336) 2.360 3.581 ( -2.023 3.989 1.702) 4.786 3.642 ( 1.098 4.904 -2.659) 5.686 3.737 ( 1.860 0.230 -3.368) 3.854 3.843 ( 1.301 -1.815 -1.492) 2.685 3.929 ( 2.228 1.248 -6.596) 7.073 4.060 ( -0.918 6.861 0.383) 6.933 4.180 ( 0.148 10.329 -3.110) 10.788 4.299 ( -2.589 -11.455 7.747) 14.069 4.645 ( -0.835 -6.914 2.099) 7.274 4.821 ( -0.243 -3.181 -1.847) 3.686 5.047 ( 0.046 -3.614 -1.240) 3.821 5.133 ( -2.231 5.772 7.187) 9.484 5.262 ( 2.518 2.835 -0.919) 3.902 5.425 ( -0.590 0.331 3.157) 3.229 5.473 ( -0.815 -1.764 -0.793) 2.099 5.671 ( 1.622 6.672 -2.122) 7.187 5.791 ( 0.270 -1.243 3.422) 3.651 5.927 ( 3.548 3.262 -6.901) 8.418 6.063 ( 3.964 -3.955 -4.737) 7.335 6.575 ( -0.905 6.844 4.595) 8.293 6.698 ( -0.011 7.939 0.205) 7.942 6.826 ( -0.432 3.473 2.946) 4.575 6.933 ( 0.593 0.174 -3.447) 3.502 7.057 ( -0.241 -6.869 -0.430) 6.886 7.100 ( 1.254 -2.410 -1.901) 3.315 7.360 ( 0.510 7.594 -3.021) 8.189 7.459 ( 2.293 5.602 -5.917) 8.465 7.851 ( -2.204 -2.888 5.256) 6.389 7.954 ( -3.147 -3.883 4.806) 6.934 8.454 ( -0.558 15.353 5.653) 16.370 8.766 ( 2.249 1.288 -3.901) 4.684 8.976 ( -8.483 -3.377 16.773) 19.098 9.179 ( -1.738 3.453 7.275) 8.238 9.284 ( -1.622 3.080 0.439) 3.508 9.637 ( 5.872 -4.199 -8.851) 11.422 9.699 ( 1.837 -0.900 -10.903) 11.093 9.755 ( 0.828 4.552 2.614) 5.314 9.929 ( 3.876 -2.148 -6.777) 8.097 10.094 ( 0.971 1.916 1.247) 2.484 10.294 ( 2.520 4.107 -6.538) 8.122 10.425 ( -3.030 -1.769 -1.231) 3.718 10.798 ( -8.346 -1.590 8.749) 12.195 10.983 ( -5.115 -12.200 11.746) 17.691 11.028 ( 0.819 1.896 2.469) 3.219 11.367 ( -0.161 -4.840 -2.800) 5.594 11.486 ( -1.383 4.242 -2.238) 4.991 11.677 ( 4.667 -0.244 -7.088) 8.490 11.763 ( -1.294 -0.419 2.189) 2.578 11.927 ( 2.150 -1.936 -2.948) 4.131 13.040 ( -0.887 -5.771 0.878) 5.905 13.101 ( 1.123 -6.413 0.358) 6.520 14.287 ( -2.736 0.173 4.391) 5.177 14.344 ( -0.722 -1.529 1.959) 2.587 14.417 ( -1.107 3.752 1.592) 4.224 14.587 ( 0.241 -4.458 -3.599) 5.734 15.086 ( 8.259 5.610 -6.158) 11.730 15.195 ( 6.678 5.698 -8.515) 12.230 16.051 ( 0.020 3.938 5.100) 6.443 16.203 ( 0.067 3.237 1.483) 3.561 16.325 ( -1.742 -5.508 9.346) 10.987 16.582 ( -0.012 -5.305 0.614) 5.341 17.772 ( 0.284 2.068 4.808) 5.242 17.874 ( -1.902 -2.100 0.224) 2.843 18.152 ( -0.593 2.596 -0.524) 2.714 18.237 ( -0.841 -0.828 -1.213) 1.692 18.734 ( 0.247 2.235 2.825) 3.611 18.881 ( -2.780 -3.240 -0.512) 4.300 19.891 ( -3.592 2.359 5.677) 7.120 19.929 ( -0.949 0.545 4.568) 4.697 20.074 ( -1.429 3.353 2.520) 4.431 20.294 ( -0.422 -1.981 -4.386) 4.831 20.309 ( 3.920 -1.581 -3.837) 5.708 20.364 ( 1.600 -1.104 -4.023) 4.468 ======================= Grid point 98 (53/87) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -7.219 1.135 2.095) 7.602 0.688 ( -4.033 6.575 4.352) 8.856 0.761 ( -4.562 -3.720 1.399) 6.051 0.805 ( 1.433 0.443 0.743) 1.674 0.868 ( 1.782 1.341 0.479) 2.281 0.944 ( -1.130 2.031 1.988) 3.058 1.011 ( 1.041 -3.205 0.295) 3.383 1.047 ( 0.728 -0.237 1.494) 1.679 1.096 ( 0.707 -1.079 0.315) 1.328 1.141 ( -1.829 1.444 -0.256) 2.345 1.237 ( 0.584 0.601 -0.362) 0.913 1.262 ( -1.021 4.083 2.087) 4.697 1.273 ( -1.856 -0.869 2.916) 3.564 1.345 ( -0.509 -0.452 -0.339) 0.761 1.367 ( -0.922 -0.700 1.353) 1.781 1.403 ( -0.363 0.330 1.348) 1.434 1.452 ( 0.030 -3.173 4.727) 5.694 1.496 ( 0.311 -1.574 -2.440) 2.921 1.552 ( -3.084 0.646 1.185) 3.366 1.668 ( -2.918 -5.261 -3.133) 6.783 1.741 ( 1.529 -1.433 -2.596) 3.336 1.834 ( -3.071 -3.288 2.427) 5.112 1.876 ( -0.018 0.675 -1.207) 1.383 1.926 ( 2.261 1.087 -2.576) 3.596 2.029 ( 3.259 1.186 -3.405) 4.860 2.203 ( -1.749 2.129 -3.801) 4.695 2.222 ( -0.179 -4.490 -4.192) 6.145 2.236 ( 0.374 -2.110 0.375) 2.176 2.415 ( -1.476 -1.362 1.395) 2.446 2.465 ( -2.520 -5.648 0.585) 6.212 2.836 ( -3.082 7.313 2.890) 8.446 2.989 ( -0.522 -1.395 3.700) 3.988 3.093 ( -2.428 0.653 6.331) 6.812 3.266 ( -1.498 -4.936 4.434) 6.802 3.364 ( 1.395 -0.778 2.173) 2.697 3.562 ( -1.684 4.075 1.952) 4.822 3.647 ( 2.032 3.664 -3.106) 5.216 3.741 ( 1.344 2.002 -2.825) 3.714 3.853 ( 1.667 -1.538 -2.326) 3.249 3.919 ( 2.705 1.131 -6.229) 6.884 4.050 ( -0.531 5.919 0.497) 5.964 4.161 ( 0.405 12.012 -2.620) 12.301 4.315 ( -2.673 -12.173 7.420) 14.505 4.654 ( 0.360 -7.795 1.036) 7.872 4.813 ( 0.744 -3.036 -0.707) 3.205 5.036 ( 0.292 -4.610 -2.106) 5.076 5.162 ( -1.441 7.848 7.678) 11.074 5.297 ( 1.745 2.943 -0.377) 3.442 5.444 ( -0.622 0.390 3.022) 3.110 5.453 ( -0.317 -1.413 -0.803) 1.656 5.680 ( 2.106 8.283 -3.759) 9.337 5.817 ( 0.058 -0.881 2.072) 2.252 5.919 ( 2.752 3.281 -8.178) 9.231 6.100 ( 4.646 -8.318 -6.015) 11.268 6.601 ( -0.877 6.315 5.166) 8.205 6.703 ( 0.815 8.477 -0.892) 8.562 6.837 ( -0.949 1.737 2.505) 3.193 6.916 ( 0.635 0.034 -3.625) 3.681 7.057 ( 0.735 -6.403 -0.134) 6.447 7.106 ( 1.248 -2.398 -1.991) 3.357 7.342 ( 0.641 8.484 -3.590) 9.235 7.489 ( 6.177 7.626 -4.823) 10.936 7.876 ( 0.016 -2.805 5.543) 6.213 7.956 ( -0.930 -4.046 5.485) 6.879 8.505 ( 1.553 17.634 4.943) 18.379 8.785 ( 3.047 2.554 -2.713) 4.813 8.970 ( -7.611 -4.001 17.456) 19.458 9.213 ( -1.289 2.386 5.970) 6.557 9.254 ( -1.996 4.446 1.613) 5.134 9.662 ( 3.617 2.421 -8.664) 9.696 9.669 ( 5.566 -3.603 -9.110) 11.267 9.791 ( 2.272 2.919 -1.411) 3.959 9.959 ( 5.421 -1.554 -6.372) 8.509 10.123 ( 1.263 2.946 0.548) 3.252 10.265 ( 0.640 2.057 -6.695) 7.033 10.396 ( -0.366 0.219 0.750) 0.863 10.760 ( -4.616 -1.548 10.670) 11.729 10.987 ( -3.973 -11.215 11.227) 16.358 11.095 ( 3.643 1.107 2.366) 4.483 11.339 ( -1.521 0.087 -1.690) 2.276 11.460 ( 1.143 -0.598 -2.579) 2.884 11.688 ( 3.252 -0.894 -7.488) 8.213 11.749 ( -1.699 0.549 2.032) 2.705 11.958 ( 3.292 -1.467 -2.191) 4.218 13.014 ( -2.497 -5.277 0.291) 5.845 13.138 ( 3.115 -8.528 -0.143) 9.080 14.273 ( -2.819 0.187 4.318) 5.160 14.344 ( -1.320 -1.793 2.542) 3.379 14.415 ( -0.180 3.187 0.863) 3.307 14.558 ( -0.046 -4.155 -3.692) 5.558 15.160 ( 6.004 6.864 -7.275) 11.666 15.254 ( 8.688 7.511 -10.771) 15.746 16.105 ( 1.846 7.060 4.280) 8.460 16.217 ( 0.437 3.251 1.325) 3.538 16.398 ( 0.695 -5.249 9.364) 10.757 16.617 ( 3.848 -7.500 -0.002) 8.430 17.828 ( -1.594 -0.707 0.958) 1.990 17.855 ( 2.093 -1.296 6.851) 7.280 18.140 ( -0.555 1.800 0.655) 1.994 18.206 ( -1.181 -0.713 -1.544) 2.071 18.762 ( 0.307 1.704 3.314) 3.739 18.847 ( -0.748 -1.211 0.039) 1.424 19.866 ( -4.001 1.481 4.960) 6.543 19.908 ( -5.392 -0.526 4.416) 6.990 20.068 ( -2.172 2.852 4.104) 5.449 20.244 ( -1.880 -4.118 -3.791) 5.904 20.341 ( 3.876 0.727 -5.193) 6.520 20.389 ( 4.472 -0.944 -3.705) 5.884 ======================= Grid point 99 (54/87) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -7.962 2.879 5.774) 10.248 0.653 ( -6.174 2.488 6.787) 9.507 0.722 ( -0.154 3.152 1.804) 3.635 0.845 ( 2.973 0.247 -0.179) 2.989 0.895 ( 0.056 0.496 2.302) 2.356 0.944 ( -0.562 4.234 2.310) 4.856 1.032 ( 2.187 -3.153 -1.516) 4.126 1.063 ( -0.807 -1.316 0.817) 1.747 1.100 ( -1.425 -0.494 0.979) 1.798 1.114 ( -0.914 2.245 0.540) 2.484 1.223 ( -1.226 0.708 -0.605) 1.539 1.245 ( -2.406 0.351 4.201) 4.854 1.271 ( -2.079 1.650 1.889) 3.258 1.330 ( -0.386 -0.042 -0.730) 0.827 1.356 ( -0.365 0.359 0.975) 1.101 1.420 ( 0.545 -0.285 -0.954) 1.135 1.467 ( -2.325 -1.556 3.206) 4.255 1.479 ( 0.403 -1.088 -3.420) 3.612 1.531 ( -0.292 -3.112 2.602) 4.067 1.608 ( -0.666 -5.644 -3.881) 6.882 1.749 ( 1.355 -0.569 -2.319) 2.745 1.807 ( -1.195 -1.720 0.436) 2.139 1.860 ( -1.355 -0.439 -0.689) 1.582 1.943 ( 2.293 0.060 -2.614) 3.477 2.055 ( 2.343 1.493 -2.417) 3.682 2.125 ( -2.832 2.123 -1.137) 3.718 2.207 ( -1.268 -1.705 1.204) 2.442 2.241 ( 0.494 -5.749 -1.881) 6.069 2.395 ( -1.677 -1.794 1.467) 2.861 2.428 ( -2.426 -6.558 1.247) 7.103 2.805 ( -2.365 8.398 1.959) 8.942 2.997 ( -1.827 -1.499 3.686) 4.379 3.097 ( -2.753 1.213 6.018) 6.728 3.274 ( -2.126 -4.328 5.365) 7.214 3.405 ( 1.712 -2.124 0.365) 2.752 3.558 ( -0.725 2.459 2.789) 3.788 3.662 ( 2.591 3.681 -3.241) 5.547 3.742 ( 1.713 2.698 -3.213) 4.531 3.860 ( 1.654 -0.898 -3.460) 3.939 3.928 ( 3.290 -0.469 -4.770) 5.814 4.054 ( 0.468 6.002 0.854) 6.081 4.157 ( 1.086 13.220 -1.716) 13.375 4.321 ( -3.077 -11.739 6.715) 13.869 4.670 ( 1.213 -8.371 -0.530) 8.475 4.839 ( 2.126 -2.714 0.365) 3.467 5.026 ( 0.754 -4.771 -2.545) 5.460 5.195 ( -1.656 8.429 6.539) 10.796 5.314 ( 0.568 2.197 -0.061) 2.270 5.430 ( -0.838 -1.070 -0.262) 1.385 5.464 ( -0.675 0.044 1.949) 2.063 5.681 ( 1.904 8.315 -4.996) 9.885 5.821 ( 0.120 -0.325 -1.859) 1.891 5.905 ( 2.516 3.285 -6.363) 7.590 6.115 ( 3.290 -9.704 -7.802) 12.879 6.620 ( -1.608 5.413 4.981) 7.529 6.709 ( 0.848 8.662 -1.143) 8.778 6.824 ( -2.692 1.267 2.024) 3.598 6.905 ( 1.554 -0.428 -3.277) 3.653 7.079 ( 1.631 -5.809 -0.422) 6.049 7.109 ( 0.726 -2.699 -1.686) 3.264 7.330 ( 1.038 9.443 -2.921) 9.939 7.569 ( 6.912 6.118 -6.332) 11.194 7.918 ( 0.088 -4.598 3.605) 5.844 8.026 ( 3.638 -4.975 5.201) 8.065 8.585 ( 3.666 17.411 2.636) 17.987 8.828 ( 4.368 5.434 -3.330) 7.726 8.995 ( -5.602 -3.512 18.032) 19.206 9.194 ( -3.063 -1.327 1.947) 3.865 9.272 ( -0.253 7.637 4.417) 8.826 9.686 ( 5.374 -0.647 -10.057) 11.421 9.697 ( 6.906 1.310 -5.953) 9.211 9.803 ( 0.649 5.420 -2.004) 5.815 10.008 ( 5.343 -1.845 -5.957) 8.212 10.136 ( 2.048 6.849 -4.833) 8.629 10.239 ( 1.346 -4.615 -2.909) 5.619 10.402 ( -0.118 1.385 1.187) 1.828 10.821 ( 1.002 -0.605 13.537) 13.587 11.023 ( -2.514 -10.122 11.394) 15.447 11.183 ( 4.149 4.130 2.251) 6.272 11.297 ( -1.293 3.011 -0.692) 3.349 11.480 ( 2.857 -1.767 -2.269) 4.053 11.675 ( 2.418 -2.386 -7.457) 8.194 11.747 ( -0.487 2.837 2.050) 3.534 11.986 ( 1.309 -0.613 -2.246) 2.670 12.966 ( -2.934 -4.035 0.280) 4.996 13.208 ( 6.014 -11.976 -2.631) 13.657 14.261 ( -2.140 0.282 3.786) 4.358 14.338 ( -1.670 -1.566 2.709) 3.547 14.423 ( 0.667 2.220 -0.102) 2.320 14.532 ( 0.576 -2.743 -3.567) 4.536 15.175 ( 2.827 7.972 -8.256) 11.820 15.303 ( 6.974 7.366 -13.186) 16.636 16.169 ( 2.798 10.262 0.362) 10.643 16.237 ( 0.607 2.591 0.323) 2.681 16.469 ( -0.106 -4.216 6.535) 7.778 16.719 ( 7.779 -8.752 -0.642) 11.727 17.794 ( -1.724 1.460 0.510) 2.316 17.979 ( 4.327 -5.038 2.701) 7.170 18.163 ( 1.337 -1.225 4.822) 5.152 18.181 ( -0.325 -0.457 -0.049) 0.563 18.819 ( 2.181 0.974 6.719) 7.131 18.863 ( 2.468 0.396 2.561) 3.578 19.804 ( -9.140 -1.371 3.534) 9.895 19.824 ( -6.065 -1.266 1.788) 6.448 20.070 ( -2.424 0.778 4.835) 5.464 20.170 ( -3.859 -3.503 1.061) 5.319 20.366 ( 4.320 2.980 -6.238) 8.152 20.450 ( 5.413 -1.060 -3.365) 6.461 ======================= Grid point 100 (55/87) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -5.500 2.245 11.451) 12.901 0.589 ( -7.600 0.687 9.079) 11.860 0.767 ( 2.363 6.613 2.106) 7.331 0.885 ( -1.031 -5.009 2.630) 5.751 0.913 ( 0.799 1.309 1.679) 2.274 0.962 ( -0.435 5.012 3.059) 5.888 1.026 ( -1.944 -1.364 -1.247) 2.682 1.065 ( 2.862 -3.677 -1.086) 4.784 1.079 ( -0.554 0.140 -1.042) 1.189 1.117 ( -0.038 2.329 1.079) 2.567 1.207 ( -0.309 0.041 -0.293) 0.428 1.220 ( -3.097 0.176 2.312) 3.869 1.260 ( -0.084 1.244 0.666) 1.413 1.319 ( -0.892 1.542 -0.179) 1.790 1.355 ( -0.784 1.620 -0.653) 1.914 1.397 ( -0.254 -0.398 -1.411) 1.488 1.455 ( 0.581 -1.099 -3.683) 3.887 1.470 ( -0.473 0.160 2.507) 2.556 1.531 ( -0.608 -4.296 -1.035) 4.461 1.599 ( 0.797 -5.922 0.613) 6.007 1.751 ( 0.468 -0.456 -1.596) 1.725 1.794 ( -1.188 -1.881 0.495) 2.279 1.827 ( 0.739 2.845 -2.964) 4.175 1.968 ( 2.219 -1.352 -1.584) 3.043 2.076 ( 1.447 0.843 -1.254) 2.092 2.084 ( -2.800 -1.543 2.130) 3.842 2.199 ( -1.292 -2.186 3.034) 3.956 2.227 ( 0.151 -3.700 -1.908) 4.166 2.378 ( -1.598 -1.950 1.782) 3.087 2.427 ( 1.778 -7.238 0.636) 7.480 2.791 ( -0.974 9.170 2.020) 9.441 2.983 ( -2.350 -1.222 1.651) 3.121 3.095 ( -3.327 0.915 7.008) 7.812 3.277 ( -2.886 -2.152 6.662) 7.573 3.424 ( 0.987 -2.233 -1.317) 2.775 3.581 ( -0.005 -0.162 3.732) 3.736 3.684 ( 2.513 4.147 -2.566) 5.486 3.752 ( 2.563 3.295 -4.085) 5.841 3.859 ( 1.659 -1.514 -3.650) 4.285 3.950 ( 3.021 -1.355 -4.082) 5.256 4.082 ( 1.681 6.065 1.208) 6.409 4.166 ( 1.099 13.436 -1.280) 13.542 4.314 ( -3.558 -10.238 6.215) 12.494 4.686 ( 1.348 -8.427 -1.181) 8.616 4.880 ( 2.158 -2.181 -0.459) 3.102 5.023 ( 1.222 -4.574 -2.630) 5.416 5.203 ( -2.739 7.173 5.251) 9.302 5.321 ( 0.396 1.173 -0.402) 1.301 5.420 ( -0.081 -0.879 0.134) 0.893 5.448 ( -2.385 -1.126 1.258) 2.922 5.665 ( 1.070 6.732 -5.287) 8.627 5.796 ( 0.623 -0.609 -5.126) 5.200 5.900 ( 1.397 3.630 -4.468) 5.924 6.100 ( 2.389 -5.412 -7.421) 9.490 6.624 ( -2.102 5.098 4.211) 6.938 6.716 ( 0.716 8.844 -0.525) 8.888 6.787 ( -3.148 2.167 2.575) 4.609 6.917 ( 2.308 -0.724 -2.650) 3.588 7.093 ( 0.131 -4.259 -0.719) 4.322 7.106 ( 0.525 -3.392 -1.427) 3.717 7.332 ( 1.133 9.232 -1.552) 9.430 7.613 ( 4.242 3.803 -6.875) 8.929 7.938 ( -0.835 -5.273 3.409) 6.334 8.113 ( 2.596 -7.002 0.775) 7.508 8.645 ( 1.436 14.648 -0.119) 14.718 8.861 ( 2.765 6.713 -5.186) 8.922 9.050 ( -3.987 -2.692 14.448) 15.228 9.157 ( -3.283 -1.957 2.658) 4.655 9.290 ( -1.482 6.190 4.383) 7.728 9.667 ( 3.840 -6.193 -14.612) 16.328 9.778 ( 0.848 11.167 -1.003) 11.244 9.825 ( 7.748 1.315 -4.186) 8.904 10.034 ( 2.055 -3.130 -3.981) 5.465 10.120 ( 1.801 7.261 -7.539) 10.621 10.270 ( 5.355 -7.817 -4.415) 10.453 10.411 ( -0.616 0.129 3.099) 3.162 10.985 ( 1.603 -2.269 12.875) 13.171 11.082 ( 1.457 -6.816 8.892) 11.298 11.274 ( 4.525 10.415 2.305) 11.587 11.318 ( 4.638 0.286 0.820) 4.718 11.511 ( 2.458 0.577 -1.560) 2.968 11.664 ( 3.050 -1.750 -7.317) 8.118 11.755 ( -0.747 3.518 1.647) 3.956 11.947 ( -4.150 0.796 -2.047) 4.695 12.932 ( -0.885 -2.402 0.421) 2.594 13.289 ( 6.699 -14.788 -7.079) 17.711 14.263 ( -0.592 0.470 2.992) 3.086 14.333 ( -1.176 -0.919 2.401) 2.827 14.435 ( 1.407 1.415 -1.150) 2.303 14.520 ( 1.141 -1.211 -3.489) 3.866 15.115 ( -3.760 9.098 -7.149) 12.167 15.270 ( 1.973 6.743 -13.574) 15.285 16.199 ( 1.514 7.215 -2.842) 7.901 16.209 ( -2.655 6.093 -2.882) 7.245 16.507 ( -1.275 -3.403 5.993) 7.009 16.844 ( 7.694 -8.818 -4.171) 12.423 17.783 ( -0.497 2.484 1.374) 2.882 18.001 ( 0.034 -3.533 -4.456) 5.686 18.175 ( 0.265 -0.079 0.601) 0.662 18.240 ( 0.996 -4.916 1.210) 5.160 18.894 ( 2.857 1.043 2.978) 4.256 19.067 ( 10.862 -6.397 12.442) 17.711 19.601 ( -16.959 -3.336 -2.341) 17.442 19.672 ( -9.213 -3.129 0.525) 9.744 20.041 ( -3.708 3.622 6.309) 8.165 20.194 ( 0.547 -2.421 8.313) 8.675 20.393 ( 4.358 4.300 -6.134) 8.667 20.512 ( 4.429 -1.452 -3.181) 5.643 ======================= Grid point 101 (56/87) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -3.073 -7.099 8.994) 11.863 0.489 ( -3.073 7.099 8.994) 11.863 0.785 ( -5.340 -2.315 4.081) 7.109 0.785 ( -5.340 2.315 4.081) 7.109 0.940 ( -0.919 -1.456 -0.941) 1.962 0.940 ( -0.919 1.456 -0.941) 1.962 1.051 ( -0.307 -2.295 0.184) 2.323 1.051 ( -0.307 2.295 0.184) 2.323 1.089 ( 1.259 -0.665 -4.088) 4.329 1.089 ( 1.259 0.665 -4.088) 4.329 1.255 ( 0.514 -1.114 0.421) 1.297 1.255 ( 0.514 1.114 0.421) 1.297 1.298 ( -0.172 -4.774 -0.627) 4.818 1.298 ( -0.172 4.774 -0.627) 4.818 1.409 ( 2.281 -1.645 -0.067) 2.813 1.409 ( 2.281 1.645 -0.067) 2.813 1.439 ( 0.836 -4.350 0.273) 4.438 1.439 ( 0.836 4.350 0.273) 4.438 1.496 ( -0.953 -2.242 1.244) 2.735 1.496 ( -0.953 2.242 1.244) 2.735 1.748 ( 0.150 -1.588 0.181) 1.605 1.748 ( 0.150 1.588 0.181) 1.605 1.915 ( 1.500 -2.930 -2.647) 4.224 1.915 ( 1.500 2.930 -2.647) 4.224 2.050 ( -2.517 -1.346 1.858) 3.406 2.050 ( -2.517 1.346 1.858) 3.406 2.225 ( 1.913 -0.930 -0.208) 2.137 2.225 ( 1.913 0.930 -0.208) 2.137 2.354 ( 1.818 -1.533 1.989) 3.100 2.354 ( 1.818 1.533 1.989) 3.100 2.923 ( -1.724 -2.439 1.401) 3.299 2.923 ( -1.724 2.439 1.401) 3.299 3.160 ( -3.024 -6.080 7.375) 10.025 3.160 ( -3.024 6.080 7.375) 10.025 3.560 ( 0.489 -8.277 1.155) 8.371 3.560 ( 0.489 8.277 1.155) 8.371 3.778 ( 1.299 -2.751 -1.824) 3.547 3.778 ( 1.299 2.751 -1.824) 3.547 3.837 ( -0.307 -5.068 -1.463) 5.284 3.837 ( -0.307 5.068 -1.463) 5.284 4.223 ( 1.228 -3.588 -0.490) 3.824 4.223 ( 1.228 3.588 -0.490) 3.824 4.469 ( 1.257 -11.477 -3.064) 11.945 4.469 ( 1.257 11.477 -3.064) 11.945 4.909 ( 1.891 -4.311 -2.925) 5.543 4.909 ( 1.891 4.311 -2.925) 5.543 5.277 ( -3.640 -3.115 2.637) 5.469 5.277 ( -3.640 3.115 2.637) 5.469 5.431 ( 0.598 -0.319 1.453) 1.603 5.431 ( 0.598 0.319 1.453) 1.603 5.718 ( 0.681 -2.662 -6.897) 7.424 5.718 ( 0.681 2.662 -6.897) 7.424 5.996 ( 3.375 -5.807 -6.572) 9.397 5.996 ( 3.375 5.807 -6.572) 9.397 6.763 ( -2.247 -6.406 3.627) 7.697 6.763 ( -2.247 6.406 3.627) 7.697 6.931 ( 1.451 -4.043 -0.708) 4.353 6.931 ( 1.451 4.043 -0.708) 4.353 6.965 ( -0.483 -2.830 -0.171) 2.876 6.965 ( -0.483 2.830 -0.171) 2.876 7.572 ( 0.694 -8.631 -2.894) 9.130 7.572 ( 0.694 8.631 -2.894) 9.130 7.945 ( -0.603 -7.053 -0.244) 7.083 7.945 ( -0.603 7.053 -0.244) 7.083 8.836 ( -1.724 -5.089 5.007) 7.344 8.836 ( -1.724 5.089 5.007) 7.344 9.144 ( -2.994 -2.218 6.406) 7.410 9.144 ( -2.994 2.218 6.406) 7.410 9.436 ( 0.512 -8.946 -7.057) 11.406 9.436 ( 0.512 8.946 -7.057) 11.406 9.886 ( -0.905 -4.673 -3.597) 5.966 9.886 ( -0.905 4.673 -3.597) 5.966 10.032 ( 1.787 -9.406 -2.220) 9.828 10.032 ( 1.787 9.406 -2.220) 9.828 10.336 ( 2.586 -6.601 -7.726) 10.486 10.336 ( 2.586 6.601 -7.726) 10.486 11.056 ( -1.499 -4.244 9.811) 10.794 11.056 ( -1.499 4.244 9.811) 10.794 11.469 ( 5.018 -4.500 2.560) 7.210 11.469 ( 5.018 4.500 2.560) 7.210 11.593 ( 3.325 -5.484 -5.571) 8.495 11.593 ( 3.325 5.484 -5.571) 8.495 11.804 ( -6.801 -4.268 -1.221) 8.122 11.804 ( -6.801 4.268 -1.221) 8.122 13.020 ( 3.084 -9.425 -6.815) 12.032 13.020 ( 3.084 9.425 -6.815) 12.032 14.308 ( 0.134 -1.586 2.118) 2.649 14.308 ( 0.134 1.586 2.118) 2.649 14.495 ( 2.397 -1.679 -2.839) 4.078 14.495 ( 2.397 1.679 -2.839) 4.078 15.172 ( -4.658 -6.982 -5.793) 10.199 15.172 ( -4.658 6.982 -5.793) 10.199 16.215 ( -4.450 -4.660 -1.458) 6.607 16.215 ( -4.450 4.660 -1.458) 6.607 16.633 ( 1.181 -12.826 -3.602) 13.375 16.633 ( 1.181 12.826 -3.602) 13.375 17.858 ( -2.291 -4.136 1.771) 5.049 17.858 ( -2.291 4.136 1.771) 5.049 18.197 ( 0.089 -0.822 0.936) 1.249 18.197 ( 0.089 0.822 0.936) 1.249 18.998 ( -4.683 -2.976 5.230) 7.625 18.998 ( -4.683 2.976 5.230) 7.625 19.501 ( 1.315 -3.301 0.900) 3.665 19.501 ( 1.315 3.301 0.900) 3.665 20.166 ( -1.513 -5.173 7.150) 8.954 20.166 ( -1.513 5.173 7.150) 8.954 20.494 ( 2.305 -3.050 -4.051) 5.571 20.494 ( 2.305 3.050 -4.051) 5.571 ======================= Grid point 103 (57/87) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -1.791 -3.600 10.009) 10.786 0.524 ( -1.791 3.600 10.009) 10.786 0.742 ( -2.251 -4.388 2.767) 5.655 0.742 ( -2.251 4.388 2.767) 5.655 0.921 ( -1.274 -0.960 0.963) 1.864 0.921 ( -1.274 0.960 0.963) 1.864 1.032 ( -0.909 -0.840 -1.508) 1.950 1.032 ( -0.909 0.840 -1.508) 1.950 1.086 ( 1.499 -1.171 -2.102) 2.835 1.086 ( 1.499 1.171 -2.102) 2.835 1.254 ( -0.872 -1.113 0.090) 1.416 1.254 ( -0.872 1.113 0.090) 1.416 1.290 ( 0.097 -3.407 -0.708) 3.481 1.290 ( 0.097 3.407 -0.708) 3.481 1.421 ( -1.604 -2.822 0.492) 3.283 1.421 ( -1.604 2.822 0.492) 3.283 1.468 ( 0.710 -3.680 0.207) 3.754 1.468 ( 0.710 3.680 0.207) 3.754 1.525 ( 4.251 -5.129 1.718) 6.879 1.525 ( 4.251 5.129 1.718) 6.879 1.765 ( 2.021 -2.189 -0.557) 3.031 1.765 ( 2.021 2.189 -0.557) 3.031 1.905 ( -0.114 -1.558 -3.167) 3.532 1.905 ( -0.114 1.558 -3.167) 3.532 2.039 ( -0.726 -2.041 1.784) 2.806 2.039 ( -0.726 2.041 1.784) 2.806 2.256 ( 1.820 -2.898 -0.332) 3.438 2.256 ( 1.820 2.898 -0.332) 3.438 2.403 ( 2.446 -2.702 0.432) 3.670 2.403 ( 2.446 2.702 0.432) 3.670 2.907 ( -1.764 -0.371 2.231) 2.869 2.907 ( -1.764 0.371 2.231) 2.869 3.156 ( -3.848 -6.379 6.856) 10.125 3.156 ( -3.848 6.379 6.856) 10.125 3.574 ( 0.156 -9.140 0.476) 9.154 3.574 ( 0.156 9.140 0.476) 9.154 3.777 ( 0.544 -2.809 -2.011) 3.497 3.777 ( 0.544 2.809 -2.011) 3.497 3.820 ( -0.897 -7.122 0.086) 7.179 3.820 ( -0.897 7.122 0.086) 7.179 4.227 ( 0.306 -4.541 -1.987) 4.966 4.227 ( 0.306 4.541 -1.987) 4.966 4.459 ( 0.375 -10.884 -2.822) 11.250 4.459 ( 0.375 10.884 -2.822) 11.250 4.915 ( 1.420 -5.146 -2.450) 5.874 4.915 ( 1.420 5.146 -2.450) 5.874 5.244 ( -2.523 -2.793 2.471) 4.503 5.244 ( -2.523 2.793 2.471) 4.503 5.457 ( 0.183 -0.401 2.459) 2.498 5.457 ( 0.183 0.401 2.459) 2.498 5.683 ( 1.392 -2.596 -5.868) 6.565 5.683 ( 1.392 2.596 -5.868) 6.565 5.996 ( 2.723 -6.441 -6.693) 9.680 5.996 ( 2.723 6.441 -6.693) 9.680 6.757 ( -1.833 -8.120 3.744) 9.128 6.757 ( -1.833 8.120 3.744) 9.128 6.944 ( 0.656 -7.540 -1.332) 7.685 6.944 ( 0.656 7.540 -1.332) 7.685 6.958 ( -0.123 -3.544 0.321) 3.560 6.958 ( -0.123 3.544 0.321) 3.560 7.558 ( 0.147 -6.975 -2.528) 7.421 7.558 ( 0.147 6.975 -2.528) 7.421 7.923 ( -1.831 -5.328 0.215) 5.638 7.923 ( -1.831 5.328 0.215) 5.638 8.822 ( -3.110 -5.283 1.856) 6.405 8.822 ( -3.110 5.283 1.856) 6.405 9.129 ( -5.305 -6.920 8.290) 12.032 9.129 ( -5.305 6.920 8.290) 12.032 9.410 ( 1.026 -5.791 -2.570) 6.418 9.410 ( 1.026 5.791 -2.570) 6.418 9.837 ( -1.121 -3.097 -3.704) 4.957 9.837 ( -1.121 3.097 -3.704) 4.957 10.034 ( 0.575 -8.806 -2.353) 9.133 10.034 ( 0.575 8.806 -2.353) 9.133 10.328 ( 3.213 -6.616 -6.834) 10.040 10.328 ( 3.213 6.616 -6.834) 10.040 11.072 ( -5.358 -5.265 8.987) 11.713 11.072 ( -5.358 5.265 8.987) 11.713 11.498 ( -9.298 -3.322 -3.100) 10.349 11.498 ( -9.298 3.322 -3.100) 10.349 11.556 ( 3.149 -2.889 -0.977) 4.384 11.556 ( 3.149 2.889 -0.977) 4.384 11.752 ( 2.172 -7.354 0.229) 7.671 11.752 ( 2.172 7.354 0.229) 7.671 13.003 ( 1.059 -5.948 -5.456) 8.140 13.003 ( 1.059 5.948 -5.456) 8.140 14.320 ( -0.715 -1.137 2.179) 2.560 14.320 ( -0.715 1.137 2.179) 2.560 14.519 ( 2.676 -0.988 -3.195) 4.283 14.519 ( 2.676 0.988 -3.195) 4.283 15.071 ( -2.777 -9.528 -1.424) 10.026 15.071 ( -2.777 9.528 -1.424) 10.026 16.133 ( -4.433 -5.495 1.255) 7.171 16.133 ( -4.433 5.495 1.255) 7.171 16.592 ( -2.348 -11.914 -2.894) 12.483 16.592 ( -2.348 11.914 -2.894) 12.483 17.838 ( -1.727 -2.322 2.256) 3.669 17.838 ( -1.727 2.322 2.256) 3.669 18.206 ( 0.499 -1.155 0.446) 1.335 18.206 ( 0.499 1.155 0.446) 1.335 18.916 ( -7.025 -5.331 4.515) 9.907 18.916 ( -7.025 5.331 4.515) 9.907 19.621 ( 9.212 -4.066 0.889) 10.108 19.621 ( 9.212 4.066 0.889) 10.108 20.180 ( -2.323 -5.058 4.900) 7.416 20.180 ( -2.323 5.058 4.900) 7.416 20.479 ( -0.331 -2.665 -3.836) 4.683 20.479 ( -0.331 2.665 -3.836) 4.683 ======================= Grid point 105 (58/87) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -1.523 -1.606 9.029) 9.296 0.574 ( -1.523 1.606 9.029) 9.296 0.751 ( 1.146 -4.898 1.613) 5.282 0.751 ( 1.146 4.898 1.613) 5.282 0.914 ( -0.663 -2.080 1.613) 2.714 0.914 ( -0.663 2.080 1.613) 2.714 1.003 ( -0.966 -3.127 -1.621) 3.652 1.003 ( -0.966 3.127 -1.621) 3.652 1.108 ( 1.586 -1.140 0.007) 1.953 1.108 ( 1.586 1.140 0.007) 1.953 1.235 ( -1.310 -1.330 0.482) 1.928 1.235 ( -1.310 1.330 0.482) 1.928 1.292 ( 0.813 -1.670 -0.832) 2.035 1.292 ( 0.813 1.670 -0.832) 2.035 1.389 ( -2.187 -2.383 0.928) 3.365 1.389 ( -2.187 2.383 0.928) 3.365 1.474 ( 0.187 -3.469 -0.022) 3.474 1.474 ( 0.187 3.469 -0.022) 3.474 1.618 ( 2.778 -6.725 3.766) 8.193 1.618 ( 2.778 6.725 3.766) 8.193 1.809 ( 3.594 -3.348 -2.305) 5.426 1.809 ( 3.594 3.348 -2.305) 5.426 1.873 ( 0.620 -1.577 -3.868) 4.223 1.873 ( 0.620 1.577 -3.868) 4.223 2.036 ( -0.876 -2.084 0.499) 2.315 2.036 ( -0.876 2.084 0.499) 2.315 2.280 ( 1.380 -3.761 -0.902) 4.107 2.280 ( 1.380 3.761 -0.902) 4.107 2.440 ( 1.854 -2.746 -0.923) 3.439 2.440 ( 1.854 2.746 -0.923) 3.439 2.900 ( -1.411 -1.198 3.292) 3.776 2.900 ( -1.411 1.198 3.292) 3.776 3.140 ( -3.671 -5.842 5.927) 9.096 3.140 ( -3.671 5.842 5.927) 9.096 3.568 ( -0.352 -9.556 -1.329) 9.655 3.568 ( -0.352 9.556 -1.329) 9.655 3.769 ( 0.291 -3.891 -2.053) 4.409 3.769 ( 0.291 3.891 -2.053) 4.409 3.813 ( -0.465 -8.756 1.631) 8.919 3.813 ( -0.465 8.756 1.631) 8.919 4.206 ( -0.434 -4.810 -2.395) 5.391 4.206 ( -0.434 4.810 -2.395) 5.391 4.442 ( 0.023 -10.728 -2.057) 10.923 4.442 ( 0.023 10.728 -2.057) 10.923 4.920 ( 1.347 -6.749 -2.587) 7.353 4.920 ( 1.347 6.749 -2.587) 7.353 5.225 ( -2.011 -2.926 2.810) 4.528 5.225 ( -2.011 2.926 2.810) 4.528 5.464 ( -1.386 -1.702 1.877) 2.888 5.464 ( -1.386 1.702 1.877) 2.888 5.684 ( 2.562 -2.390 -2.523) 4.318 5.684 ( 2.562 2.390 -2.523) 4.318 5.988 ( 2.570 -5.741 -6.661) 9.161 5.988 ( 2.570 5.741 -6.661) 9.161 6.759 ( -1.343 -9.485 3.534) 10.210 6.759 ( -1.343 9.485 3.534) 10.210 6.938 ( 0.015 -8.305 -1.104) 8.378 6.938 ( 0.015 8.305 -1.104) 8.378 6.962 ( 0.503 -4.587 -0.545) 4.647 6.962 ( 0.503 4.587 -0.545) 4.647 7.538 ( 0.159 -4.627 -2.931) 5.480 7.538 ( 0.159 4.627 -2.931) 5.480 7.889 ( -2.349 -4.156 0.802) 4.841 7.889 ( -2.349 4.156 0.802) 4.841 8.769 ( -3.564 -6.899 0.807) 7.807 8.769 ( -3.564 6.899 0.807) 7.807 9.102 ( -6.505 -9.487 11.349) 16.159 9.102 ( -6.505 9.487 11.349) 16.159 9.420 ( 1.732 -6.057 -1.747) 6.537 9.420 ( 1.732 6.057 -1.747) 6.537 9.792 ( -0.112 -2.371 -4.887) 5.432 9.792 ( -0.112 2.371 -4.887) 5.432 10.022 ( -0.407 -7.795 -0.644) 7.832 10.022 ( -0.407 7.795 -0.644) 7.832 10.340 ( 3.753 -6.940 -5.613) 9.683 10.340 ( 3.753 6.940 -5.613) 9.683 11.006 ( -10.426 -4.599 9.233) 14.666 11.006 ( -10.426 4.599 9.233) 14.666 11.308 ( -7.718 -10.728 -2.625) 13.474 11.308 ( -7.718 10.728 -2.625) 13.474 11.597 ( 2.650 -2.522 -1.595) 3.991 11.597 ( 2.650 2.522 -1.595) 3.991 11.801 ( 2.356 -7.840 -0.217) 8.189 11.801 ( 2.356 7.840 -0.217) 8.189 12.985 ( 0.813 -2.783 -2.729) 3.982 12.985 ( 0.813 2.783 -2.729) 3.982 14.320 ( -1.484 -0.994 2.688) 3.227 14.320 ( -1.484 0.994 2.688) 3.227 14.529 ( 0.851 -2.966 -2.016) 3.686 14.529 ( 0.851 2.966 -2.016) 3.686 15.060 ( 2.344 -8.063 -1.051) 8.463 15.060 ( 2.344 8.063 -1.051) 8.463 16.088 ( -3.095 -5.167 4.030) 7.247 16.088 ( -3.095 5.167 4.030) 7.247 16.520 ( -3.357 -10.361 -1.947) 11.064 16.520 ( -3.357 10.361 -1.947) 11.064 17.832 ( -1.129 -2.963 2.116) 3.812 17.832 ( -1.129 2.963 2.116) 3.812 18.219 ( 0.536 -1.821 0.023) 1.899 18.219 ( 0.536 1.821 0.023) 1.899 18.849 ( -4.259 -7.314 3.282) 9.078 18.849 ( -4.259 7.314 3.282) 9.078 19.788 ( 7.795 -3.808 2.217) 8.954 19.788 ( 7.795 3.808 2.217) 8.954 20.170 ( -1.836 -4.578 2.378) 5.476 20.170 ( -1.836 4.578 2.378) 5.476 20.427 ( -1.757 -1.996 -4.023) 4.822 20.427 ( -1.757 1.996 -4.023) 4.822 ======================= Grid point 107 (59/87) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.800 -3.211 7.312) 8.187 0.610 ( -1.800 3.211 7.312) 8.187 0.799 ( 2.756 -3.081 0.907) 4.232 0.799 ( 2.756 3.081 0.907) 4.232 0.916 ( -0.412 -1.898 -0.037) 1.942 0.916 ( -0.412 1.898 -0.037) 1.942 0.976 ( -1.818 -5.198 1.867) 5.815 0.976 ( -1.818 5.198 1.867) 5.815 1.130 ( 0.827 -2.627 0.257) 2.766 1.130 ( 0.827 2.627 0.257) 2.766 1.223 ( -0.553 -2.091 0.255) 2.178 1.223 ( -0.553 2.091 0.255) 2.178 1.304 ( 1.292 -1.525 -0.754) 2.136 1.304 ( 1.292 1.525 -0.754) 2.136 1.368 ( -1.392 -2.920 1.744) 3.675 1.368 ( -1.392 2.920 1.744) 3.675 1.476 ( 0.095 -2.886 -0.177) 2.893 1.476 ( 0.095 2.886 -0.177) 2.893 1.668 ( -0.901 -6.522 4.419) 7.929 1.668 ( -0.901 6.522 4.419) 7.929 1.796 ( -1.038 -0.457 -3.388) 3.573 1.796 ( -1.038 0.457 -3.388) 3.573 1.913 ( 5.127 -1.327 -3.123) 6.148 1.913 ( 5.127 1.327 -3.123) 6.148 2.021 ( 0.026 -3.885 -1.507) 4.167 2.021 ( 0.026 3.885 -1.507) 4.167 2.288 ( 0.680 -4.104 -1.480) 4.415 2.288 ( 0.680 4.104 -1.480) 4.415 2.449 ( 0.101 -3.318 -1.449) 3.622 2.449 ( 0.101 3.318 -1.449) 3.622 2.914 ( -0.352 -1.217 4.219) 4.405 2.914 ( -0.352 1.217 4.219) 4.405 3.124 ( -3.112 -5.298 4.837) 7.820 3.124 ( -3.112 5.298 4.837) 7.820 3.546 ( -0.418 -9.505 -2.175) 9.759 3.546 ( -0.418 9.505 -2.175) 9.759 3.757 ( -0.305 -5.642 -0.687) 5.692 3.757 ( -0.305 5.642 -0.687) 5.692 3.828 ( 0.886 -8.399 0.682) 8.473 3.828 ( 0.886 8.399 0.682) 8.473 4.180 ( -0.720 -3.933 -1.360) 4.223 4.180 ( -0.720 3.933 -1.360) 4.223 4.430 ( 0.268 -10.912 -1.559) 11.026 4.430 ( 0.268 10.912 -1.559) 11.026 4.914 ( 0.812 -7.948 -3.928) 8.903 4.914 ( 0.812 7.948 -3.928) 8.903 5.223 ( -1.160 -3.438 4.143) 5.507 5.223 ( -1.160 3.438 4.143) 5.507 5.449 ( -1.518 -2.078 1.405) 2.931 5.449 ( -1.518 2.078 1.405) 2.931 5.724 ( 2.785 -1.919 0.033) 3.383 5.724 ( 2.785 1.919 0.033) 3.383 5.980 ( 2.579 -3.935 -6.763) 8.238 5.980 ( 2.579 3.935 -6.763) 8.238 6.765 ( -1.006 -9.950 3.232) 10.510 6.765 ( -1.006 9.950 3.232) 10.510 6.929 ( 0.248 -7.345 -1.644) 7.531 6.929 ( 0.248 7.345 -1.644) 7.531 6.963 ( 0.225 -4.440 -1.043) 4.566 6.963 ( 0.225 4.440 -1.043) 4.566 7.520 ( 0.735 -2.863 -3.462) 4.552 7.520 ( 0.735 2.863 -3.462) 4.552 7.858 ( -1.922 -4.174 1.134) 4.733 7.858 ( -1.922 4.174 1.134) 4.733 8.730 ( -2.022 -7.160 2.294) 7.786 8.730 ( -2.022 7.160 2.294) 7.786 9.086 ( -5.909 -10.950 12.023) 17.302 9.086 ( -5.909 10.950 12.023) 17.302 9.435 ( 1.539 -7.913 -1.867) 8.275 9.435 ( 1.539 7.913 -1.867) 8.275 9.755 ( 1.513 -3.146 -7.343) 8.130 9.755 ( 1.513 3.146 -7.343) 8.130 10.014 ( -1.117 -7.764 2.248) 8.160 10.014 ( -1.117 7.764 2.248) 8.160 10.364 ( 3.489 -5.838 -4.779) 8.312 10.364 ( 3.489 5.838 -4.779) 8.312 10.885 ( -10.945 -2.211 9.738) 14.815 10.885 ( -10.945 2.211 9.738) 14.815 11.199 ( -2.692 -11.917 -2.895) 12.555 11.199 ( -2.692 11.917 -2.895) 12.555 11.622 ( 1.609 -3.779 -1.936) 4.541 11.622 ( 1.609 3.779 -1.936) 4.541 11.823 ( 1.112 -6.793 -1.193) 6.986 11.823 ( 1.112 6.793 -1.193) 6.986 12.986 ( 0.689 -1.672 -0.858) 2.002 12.986 ( 0.689 1.672 -0.858) 2.002 14.314 ( -1.922 -1.202 3.302) 4.006 14.314 ( -1.922 1.202 3.302) 4.006 14.521 ( -0.424 -4.109 -0.800) 4.207 14.521 ( -0.424 4.109 -0.800) 4.207 15.120 ( 5.943 -5.746 -3.025) 8.803 15.120 ( 5.943 5.746 -3.025) 8.803 16.090 ( -1.400 -4.869 6.383) 8.149 16.090 ( -1.400 4.869 6.383) 8.149 16.454 ( -2.563 -9.289 -1.263) 9.718 16.454 ( -2.563 9.289 -1.263) 9.718 17.828 ( -1.193 -3.459 2.028) 4.184 17.828 ( -1.193 3.459 2.028) 4.184 18.221 ( -0.072 -2.161 -0.676) 2.266 18.221 ( -0.072 2.161 -0.676) 2.266 18.815 ( -2.307 -6.062 2.098) 6.817 18.815 ( -2.307 6.062 2.098) 6.817 19.905 ( 2.132 -1.324 4.166) 4.863 19.905 ( 2.132 1.324 4.166) 4.863 20.166 ( 0.647 -5.299 -0.094) 5.339 20.166 ( 0.647 5.299 -0.094) 5.339 20.365 ( -1.218 -1.611 -4.161) 4.625 20.365 ( -1.218 1.611 -4.161) 4.625 ======================= Grid point 109 (60/87) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -3.248 -4.716 6.376) 8.570 0.623 ( -3.248 4.716 6.376) 8.570 0.837 ( 0.719 -1.434 -1.551) 2.232 0.837 ( 0.719 1.434 -1.551) 2.232 0.901 ( -0.112 -0.335 0.935) 1.000 0.901 ( -0.112 0.335 0.935) 1.000 0.982 ( -0.443 -1.933 4.124) 4.576 0.982 ( -0.443 1.933 4.124) 4.576 1.147 ( 0.896 -5.189 0.291) 5.274 1.147 ( 0.896 5.189 0.291) 5.274 1.210 ( -0.844 -2.259 -0.328) 2.433 1.210 ( -0.844 2.259 -0.328) 2.433 1.323 ( 1.036 -1.396 -0.172) 1.747 1.323 ( 1.036 1.396 -0.172) 1.747 1.368 ( -0.495 -3.249 2.310) 4.017 1.368 ( -0.495 3.249 2.310) 4.017 1.471 ( -0.421 -2.378 -0.366) 2.442 1.471 ( -0.421 2.378 -0.366) 2.442 1.647 ( -4.265 -4.855 1.903) 6.737 1.647 ( -4.265 4.855 1.903) 6.737 1.765 ( -0.237 -2.225 -0.964) 2.437 1.765 ( -0.237 2.225 -0.964) 2.437 1.940 ( 0.331 -0.237 -1.848) 1.892 1.940 ( 0.331 0.237 -1.848) 1.892 2.038 ( 4.362 -5.198 -4.091) 7.924 2.038 ( 4.362 5.198 -4.091) 7.924 2.284 ( -0.154 -3.917 -0.696) 3.981 2.284 ( -0.154 3.917 -0.696) 3.981 2.417 ( -2.134 -4.289 -1.735) 5.095 2.417 ( -2.134 4.289 -1.735) 5.095 2.949 ( -0.002 -0.999 4.464) 4.574 2.949 ( -0.002 0.999 4.464) 4.574 3.109 ( -2.572 -5.158 4.209) 7.137 3.109 ( -2.572 5.158 4.209) 7.137 3.526 ( 0.095 -9.076 -1.899) 9.273 3.526 ( 0.095 9.076 -1.899) 9.273 3.748 ( -0.676 -6.424 0.488) 6.478 3.748 ( -0.676 6.424 0.488) 6.478 3.848 ( 1.501 -7.031 -1.179) 7.285 3.848 ( 1.501 7.031 -1.179) 7.285 4.162 ( -0.619 -3.398 0.053) 3.455 4.162 ( -0.619 3.398 0.053) 3.455 4.426 ( 0.623 -11.283 -1.495) 11.399 4.426 ( 0.623 11.283 -1.495) 11.399 4.890 ( 0.649 -8.526 -4.776) 9.794 4.890 ( 0.649 8.526 -4.776) 9.794 5.254 ( 0.286 -3.969 5.256) 6.592 5.254 ( 0.286 3.969 5.256) 6.592 5.439 ( -1.004 -1.353 1.744) 2.424 5.439 ( -1.004 1.353 1.744) 2.424 5.772 ( 2.563 -2.270 -0.179) 3.429 5.772 ( 2.563 2.270 -0.179) 3.429 5.969 ( 2.569 -3.292 -7.125) 8.258 5.969 ( 2.569 3.292 -7.125) 8.258 6.775 ( -0.879 -9.643 3.335) 10.241 6.775 ( -0.879 9.643 3.335) 10.241 6.921 ( 0.606 -5.450 -2.298) 5.946 6.921 ( 0.606 5.450 -2.298) 5.946 6.954 ( 0.040 -5.764 -1.371) 5.925 6.954 ( 0.040 5.764 -1.371) 5.925 7.513 ( 1.925 -3.065 -3.620) 5.119 7.513 ( 1.925 3.065 -3.620) 5.119 7.846 ( -0.538 -3.685 1.366) 3.966 7.846 ( -0.538 3.685 1.366) 3.967 8.732 ( -0.703 -5.949 3.628) 7.004 8.732 ( -0.703 5.949 3.628) 7.004 9.092 ( -3.806 -12.904 10.843) 17.279 9.092 ( -3.806 12.904 10.843) 17.279 9.446 ( 1.933 -10.375 -2.430) 10.830 9.446 ( 1.933 10.375 -2.430) 10.830 9.735 ( 3.761 -5.124 -8.516) 10.626 9.735 ( 3.761 5.124 -8.516) 10.626 10.018 ( -1.730 -7.893 4.684) 9.340 10.018 ( -1.730 7.893 4.684) 9.340 10.379 ( 2.587 -2.658 -4.824) 6.085 10.379 ( 2.587 2.658 -4.824) 6.085 10.801 ( -7.536 -3.525 9.930) 12.954 10.801 ( -7.536 3.525 9.930) 12.954 11.163 ( 1.310 -10.708 -2.941) 11.182 11.163 ( 1.310 10.708 -2.941) 11.182 11.614 ( -0.739 -6.562 -1.973) 6.892 11.614 ( -0.739 6.562 -1.973) 6.892 11.836 ( 1.859 -6.147 -1.618) 6.622 11.836 ( 1.859 6.147 -1.618) 6.622 12.990 ( 0.125 -2.018 -0.188) 2.030 12.990 ( 0.125 2.018 -0.188) 2.030 14.306 ( -2.252 -1.593 3.832) 4.722 14.306 ( -2.252 1.593 3.832) 4.722 14.504 ( -0.745 -3.931 -0.625) 4.050 14.504 ( -0.745 3.931 -0.625) 4.050 15.209 ( 7.810 -4.184 -5.346) 10.348 15.209 ( 7.810 4.184 -5.346) 10.348 16.142 ( 0.799 -5.351 8.019) 9.674 16.142 ( 0.799 5.351 8.019) 9.674 16.415 ( -0.810 -9.575 -1.082) 9.670 16.415 ( -0.810 9.575 -1.082) 9.670 17.823 ( -1.364 -2.585 2.598) 3.911 17.823 ( -1.364 2.585 2.598) 3.911 18.205 ( -0.724 -2.170 -1.277) 2.620 18.205 ( -0.724 2.170 -1.277) 2.620 18.801 ( -1.067 -3.867 1.826) 4.408 18.801 ( -1.067 3.867 1.826) 4.408 19.929 ( -2.839 -0.842 4.678) 5.537 19.929 ( -2.839 0.842 4.678) 5.537 20.177 ( 0.161 -6.086 -0.904) 6.155 20.177 ( 0.161 6.086 -0.904) 6.155 20.334 ( 1.930 -1.611 -4.171) 4.870 20.334 ( 1.930 1.611 -4.171) 4.870 ======================= Grid point 111 (61/87) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -5.684 -6.451 5.513) 10.213 0.590 ( -5.684 6.451 5.513) 10.213 0.820 ( 0.229 -1.969 -1.708) 2.617 0.820 ( 0.229 1.969 -1.708) 2.617 0.933 ( 1.136 -2.181 2.883) 3.789 0.933 ( 1.136 2.181 2.883) 3.789 1.010 ( 0.232 -3.742 2.315) 4.407 1.010 ( 0.232 3.742 2.315) 4.407 1.155 ( -0.107 -7.058 -0.517) 7.077 1.155 ( -0.107 7.058 -0.517) 7.077 1.201 ( -0.347 -4.094 1.626) 4.419 1.201 ( -0.347 4.094 1.626) 4.419 1.332 ( -0.480 -1.376 0.417) 1.516 1.332 ( -0.480 1.376 0.417) 1.516 1.375 ( -0.856 -2.308 1.817) 3.060 1.375 ( -0.856 2.308 1.817) 3.060 1.460 ( -0.398 -2.153 0.021) 2.189 1.460 ( -0.398 2.153 0.021) 2.189 1.576 ( -3.827 -2.553 -0.575) 4.637 1.576 ( -3.827 2.553 -0.575) 4.637 1.758 ( -0.786 -2.648 0.766) 2.867 1.758 ( -0.786 2.648 0.766) 2.867 1.926 ( 0.677 -1.705 -2.965) 3.487 1.926 ( 0.677 1.705 -2.965) 3.487 2.083 ( 3.848 -4.533 -3.413) 6.856 2.083 ( 3.848 4.533 -3.413) 6.856 2.262 ( -2.305 -1.713 -0.153) 2.876 2.262 ( -2.305 1.713 -0.153) 2.876 2.361 ( -2.755 -2.661 -0.561) 3.871 2.361 ( -2.755 2.661 -0.561) 3.871 2.970 ( -1.233 -2.794 3.165) 4.398 2.970 ( -1.233 2.794 3.165) 4.398 3.108 ( -1.722 -4.366 5.056) 6.898 3.108 ( -1.722 4.366 5.056) 6.898 3.521 ( 0.796 -8.208 -1.171) 8.329 3.521 ( 0.796 8.208 -1.171) 8.329 3.741 ( -0.472 -5.877 0.368) 5.907 3.741 ( -0.472 5.877 0.368) 5.907 3.859 ( 1.493 -5.398 -2.558) 6.157 3.859 ( 1.493 5.398 -2.558) 6.157 4.160 ( -0.115 -4.061 1.000) 4.184 4.160 ( -0.115 4.061 1.000) 4.184 4.429 ( 1.225 -11.832 -1.483) 11.987 4.429 ( 1.225 11.832 -1.483) 11.987 4.870 ( 1.438 -8.237 -4.405) 9.451 4.870 ( 1.438 8.237 -4.405) 9.451 5.305 ( 0.499 -3.780 4.654) 6.017 5.305 ( 0.499 3.780 4.654) 6.017 5.438 ( -1.004 -0.190 2.110) 2.345 5.438 ( -1.004 0.190 2.110) 2.345 5.802 ( 1.744 -2.643 -1.998) 3.744 5.802 ( 1.744 2.643 -1.998) 3.744 5.960 ( 3.185 -3.409 -7.484) 8.819 5.960 ( 3.185 3.409 -7.484) 8.819 6.785 ( -1.302 -8.836 3.716) 9.674 6.785 ( -1.302 8.836 3.716) 9.674 6.910 ( 0.258 -3.528 -2.203) 4.168 6.910 ( 0.258 3.528 -2.203) 4.168 6.950 ( 1.014 -7.934 -1.795) 8.198 6.950 ( 1.014 7.934 -1.795) 8.198 7.531 ( 3.257 -5.442 -3.617) 7.301 7.531 ( 3.257 5.442 -3.617) 7.301 7.863 ( 1.178 -3.084 1.584) 3.662 7.863 ( 1.178 3.084 1.584) 3.662 8.754 ( -0.732 -5.518 4.797) 7.348 8.754 ( -0.732 5.518 4.797) 7.348 9.118 ( -2.313 -12.029 7.979) 14.619 9.118 ( -2.313 12.029 7.979) 14.619 9.471 ( 4.505 -12.403 -5.547) 14.314 9.471 ( 4.505 12.403 -5.547) 14.314 9.761 ( 6.352 -7.352 -6.733) 11.820 9.761 ( 6.352 7.352 -6.733) 11.820 10.023 ( -2.500 -7.593 5.620) 9.772 10.023 ( -2.500 7.593 5.620) 9.772 10.379 ( 2.408 -3.499 -5.727) 7.130 10.379 ( 2.408 3.499 -5.727) 7.130 10.783 ( -3.841 -5.215 10.970) 12.740 10.783 ( -3.841 5.215 10.970) 12.740 11.195 ( 4.635 -8.457 -2.481) 9.958 11.195 ( 4.635 8.457 -2.481) 9.958 11.574 ( -1.583 -8.549 -1.908) 8.901 11.574 ( -1.583 8.549 -1.908) 8.901 11.864 ( 2.545 -6.892 -1.193) 7.443 11.864 ( 2.545 6.892 -1.193) 7.443 12.986 ( -0.145 -3.649 -0.564) 3.695 12.986 ( -0.145 3.649 -0.564) 3.695 14.296 ( -2.452 -1.996 3.964) 5.070 14.296 ( -2.452 1.996 3.964) 5.070 14.489 ( -0.130 -3.215 -1.021) 3.376 14.489 ( -0.130 3.215 -1.021) 3.376 15.294 ( 7.499 -3.703 -7.794) 11.432 15.294 ( 7.499 3.703 -7.794) 11.432 16.244 ( 3.349 -6.087 7.678) 10.354 16.244 ( 3.349 6.087 7.678) 10.354 16.408 ( 1.397 -10.933 -1.396) 11.110 16.408 ( 1.397 10.933 -1.396) 11.110 17.829 ( -0.808 -0.816 4.010) 4.171 17.829 ( -0.808 0.816 4.010) 4.171 18.180 ( -0.922 -1.734 -0.976) 2.193 18.180 ( -0.922 1.734 -0.976) 2.193 18.808 ( 0.009 -2.344 2.466) 3.403 18.808 ( 0.009 2.344 2.466) 3.403 19.895 ( -5.158 -0.941 4.140) 6.681 19.895 ( -5.158 0.941 4.140) 6.681 20.146 ( -2.958 -4.533 0.268) 5.420 20.146 ( -2.958 4.533 0.268) 5.420 20.364 ( 4.772 -1.288 -4.391) 6.612 20.364 ( 4.772 1.288 -4.391) 6.612 ======================= Grid point 113 (62/87) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.609 -7.829 5.543) 11.113 0.532 ( -5.609 7.829 5.543) 11.113 0.829 ( 1.762 -2.540 -0.931) 3.229 0.829 ( 1.762 2.540 -0.931) 3.229 0.968 ( 0.129 -3.375 2.158) 4.008 0.968 ( 0.129 3.375 2.158) 4.008 1.018 ( -0.773 -4.289 1.538) 4.621 1.018 ( -0.773 4.289 1.538) 4.621 1.143 ( -0.945 -6.068 -0.507) 6.162 1.143 ( -0.945 6.068 -0.507) 6.162 1.216 ( -0.105 -5.728 2.519) 6.258 1.216 ( -0.105 5.728 2.519) 6.258 1.302 ( -2.081 -1.219 0.398) 2.444 1.302 ( -2.081 1.219 0.398) 2.444 1.387 ( 0.321 -2.732 2.384) 3.640 1.387 ( 0.321 2.732 2.384) 3.640 1.454 ( -0.148 -1.484 -1.892) 2.409 1.454 ( -0.148 1.484 -1.892) 2.409 1.518 ( -1.904 -1.420 -0.629) 2.457 1.518 ( -1.904 1.420 -0.629) 2.457 1.751 ( -0.525 -1.189 0.620) 1.440 1.751 ( -0.525 1.189 0.620) 1.440 1.918 ( 1.074 -2.867 -3.334) 4.527 1.918 ( 1.074 2.867 -3.334) 4.527 2.111 ( 1.595 -3.565 -2.103) 4.435 2.111 ( 1.595 3.565 -2.103) 4.435 2.210 ( -2.821 -2.147 0.167) 3.549 2.210 ( -2.821 2.147 0.167) 3.549 2.323 ( -1.978 -1.788 1.537) 3.078 2.323 ( -1.978 1.788 1.537) 3.078 2.962 ( -1.716 -4.167 1.708) 4.820 2.962 ( -1.716 4.167 1.708) 4.820 3.125 ( -1.659 -3.955 6.305) 7.626 3.125 ( -1.659 3.955 6.305) 7.626 3.530 ( 0.755 -7.210 -0.261) 7.255 3.530 ( 0.755 7.210 -0.261) 7.255 3.742 ( 0.942 -4.622 -0.685) 4.766 3.742 ( 0.942 4.622 -0.685) 4.766 3.860 ( 1.128 -3.977 -2.964) 5.087 3.860 ( 1.128 3.977 -2.964) 5.087 4.173 ( 0.578 -4.333 1.212) 4.536 4.173 ( 0.578 4.333 1.212) 4.536 4.445 ( 1.912 -12.083 -1.718) 12.354 4.445 ( 1.912 12.083 -1.718) 12.354 4.872 ( 2.393 -6.896 -3.540) 8.112 4.872 ( 2.393 6.896 -3.540) 8.112 5.334 ( -0.856 -2.825 3.102) 4.282 5.334 ( -0.856 2.825 3.102) 4.282 5.432 ( -1.569 -1.484 1.854) 2.846 5.432 ( -1.569 1.484 1.854) 2.846 5.798 ( 0.720 -2.696 -4.414) 5.222 5.798 ( 0.720 2.696 -4.414) 5.222 5.965 ( 4.003 -3.769 -7.088) 8.971 5.965 ( 4.003 3.769 -7.088) 8.971 6.786 ( -2.066 -7.392 3.798) 8.564 6.786 ( -2.066 7.392 3.798) 8.564 6.902 ( 0.641 -4.048 -1.468) 4.354 6.902 ( 0.641 4.048 -1.468) 4.354 6.959 ( 1.479 -6.426 -1.601) 6.786 6.959 ( 1.479 6.426 -1.601) 6.786 7.561 ( 3.193 -8.168 -3.722) 9.527 7.561 ( 3.193 8.168 -3.722) 9.527 7.906 ( 2.098 -4.825 1.189) 5.394 7.906 ( 2.098 4.825 1.189) 5.394 8.782 ( -1.017 -5.683 5.964) 8.301 8.782 ( -1.017 5.683 5.964) 8.301 9.131 ( -2.419 -6.936 6.114) 9.557 9.131 ( -2.419 6.936 6.114) 9.557 9.499 ( 5.359 -11.805 -10.249) 16.526 9.499 ( 5.359 11.805 -10.249) 16.526 9.843 ( 8.022 -7.335 -5.708) 12.277 9.843 ( 8.022 7.335 -5.708) 12.277 10.017 ( -2.959 -7.125 4.891) 9.135 10.017 ( -2.959 7.125 4.891) 9.135 10.373 ( 2.632 -5.935 -7.177) 9.678 10.373 ( 2.632 5.935 -7.177) 9.678 10.847 ( 0.145 -4.514 12.778) 13.553 10.847 ( 0.145 4.514 12.778) 13.553 11.272 ( 5.589 -5.536 -1.583) 8.025 11.272 ( 5.589 5.536 -1.583) 8.025 11.545 ( 0.566 -8.829 -2.224) 9.122 11.545 ( 0.566 8.829 -2.224) 9.122 11.898 ( 1.907 -7.514 -0.712) 7.785 11.898 ( 1.907 7.514 -0.712) 7.785 12.983 ( 1.239 -6.721 -1.985) 7.117 12.983 ( 1.239 6.721 -1.985) 7.117 14.286 ( -1.892 -2.185 3.505) 4.544 14.286 ( -1.892 2.185 3.505) 4.544 14.484 ( 0.624 -2.651 -1.503) 3.111 14.484 ( 0.624 2.651 -1.503) 3.111 15.331 ( 4.426 -4.461 -9.712) 11.568 15.331 ( 4.426 4.461 -9.712) 11.568 16.325 ( 0.469 -4.537 0.833) 4.636 16.325 ( 0.469 4.537 0.833) 4.636 16.473 ( 6.840 -12.625 0.565) 14.370 16.473 ( 6.840 12.625 0.565) 14.370 17.859 ( 0.034 -4.838 4.318) 6.485 17.859 ( 0.034 4.838 4.318) 6.485 18.167 ( -0.263 -0.808 0.731) 1.121 18.167 ( -0.263 0.808 0.731) 1.121 18.849 ( 2.070 -1.453 4.128) 4.841 18.849 ( 2.070 1.453 4.128) 4.841 19.797 ( -9.552 -0.822 1.991) 9.791 19.797 ( -9.552 0.822 1.991) 9.791 20.108 ( -2.640 -2.534 4.198) 5.569 20.108 ( -2.640 2.534 4.198) 5.569 20.417 ( 5.281 -1.981 -4.696) 7.339 20.417 ( 5.281 1.981 -4.696) 7.339 ======================= Grid point 115 (63/87) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -4.521 -8.352 6.944) 11.765 0.492 ( -4.521 8.352 6.944) 11.765 0.836 ( -2.591 -1.003 2.454) 3.707 0.836 ( -2.591 1.003 2.454) 3.707 0.965 ( -0.677 -3.050 -1.212) 3.351 0.965 ( -0.677 3.050 -1.212) 3.351 1.031 ( 1.390 -0.422 0.909) 1.713 1.031 ( 1.390 0.422 0.909) 1.713 1.110 ( -1.234 -4.292 -1.639) 4.757 1.110 ( -1.234 4.292 -1.639) 4.757 1.236 ( 0.520 -3.269 1.593) 3.673 1.236 ( 0.520 3.269 1.593) 3.673 1.296 ( 0.289 -3.685 0.698) 3.762 1.296 ( 0.289 3.685 0.698) 3.762 1.405 ( -1.344 -2.610 1.486) 3.290 1.405 ( -1.344 2.610 1.486) 3.290 1.425 ( 1.345 -4.065 -3.355) 5.439 1.425 ( 1.345 4.065 -3.355) 5.439 1.502 ( -0.906 -1.325 1.409) 2.136 1.502 ( -0.906 1.325 1.409) 2.136 1.749 ( -0.209 -0.918 0.257) 0.976 1.749 ( -0.209 0.918 0.257) 0.976 1.910 ( 1.196 -4.085 -2.931) 5.168 1.910 ( 1.196 4.085 -2.931) 5.168 2.092 ( -2.602 -0.663 0.164) 2.690 2.092 ( -2.602 0.663 0.164) 2.690 2.196 ( 0.967 -0.747 0.329) 1.265 2.196 ( 0.967 0.747 0.329) 1.265 2.320 ( -0.067 -0.895 2.275) 2.445 2.320 ( -0.067 0.895 2.275) 2.445 2.943 ( -1.675 -3.920 1.160) 4.418 2.943 ( -1.675 3.920 1.160) 4.418 3.146 ( -2.152 -4.993 7.123) 8.961 3.146 ( -2.152 4.993 7.123) 8.961 3.543 ( 0.567 -7.229 0.629) 7.279 3.543 ( 0.567 7.229 0.629) 7.279 3.761 ( 2.007 -3.403 -1.558) 4.247 3.761 ( 2.007 3.403 -1.558) 4.247 3.852 ( 0.407 -3.614 -2.436) 4.377 3.852 ( 0.407 3.614 -2.436) 4.377 4.198 ( 1.262 -3.644 0.712) 3.921 4.198 ( 1.262 3.644 0.712) 3.921 4.463 ( 1.935 -11.898 -2.496) 12.310 4.463 ( 1.935 11.898 -2.496) 12.310 4.892 ( 2.648 -5.130 -2.996) 6.504 4.892 ( 2.648 5.130 -2.996) 6.504 5.321 ( -3.235 -3.283 2.620) 5.302 5.321 ( -3.235 3.283 2.620) 5.302 5.421 ( -0.658 -0.619 1.040) 1.378 5.421 ( -0.658 0.619 1.040) 1.378 5.763 ( 0.434 -2.725 -6.378) 6.949 5.763 ( 0.434 2.725 -6.378) 6.949 5.983 ( 4.038 -4.757 -6.494) 9.006 5.983 ( 4.038 4.757 -6.494) 9.006 6.776 ( -2.365 -5.977 3.594) 7.364 6.776 ( -2.365 5.977 3.594) 7.364 6.911 ( 1.332 -4.248 -0.722) 4.510 6.911 ( 1.332 4.248 -0.722) 4.510 6.969 ( 0.593 -4.172 -0.846) 4.298 6.969 ( 0.593 4.172 -0.846) 4.298 7.576 ( 1.888 -9.166 -3.521) 9.999 7.576 ( 1.888 9.166 -3.521) 9.999 7.942 ( 1.143 -7.090 0.147) 7.183 7.942 ( 1.143 7.090 0.147) 7.183 8.813 ( -1.148 -5.518 6.372) 8.507 8.813 ( -1.148 5.518 6.372) 8.507 9.138 ( -2.330 -1.991 6.206) 6.921 9.138 ( -2.330 1.991 6.206) 6.921 9.485 ( 2.762 -10.725 -10.978) 15.594 9.485 ( 2.762 10.725 -10.978) 15.594 9.908 ( 3.402 -4.846 -5.418) 8.026 9.908 ( 3.402 4.846 -5.418) 8.026 10.013 ( 0.095 -8.393 1.566) 8.538 10.013 ( 0.095 8.393 1.566) 8.538 10.356 ( 2.445 -6.695 -7.974) 10.695 10.356 ( 2.445 6.695 -7.974) 10.695 10.968 ( 1.420 -2.043 11.905) 12.162 10.968 ( 1.420 2.043 11.905) 12.162 11.361 ( 5.235 -2.917 0.792) 6.045 11.361 ( 5.235 2.917 0.792) 6.045 11.561 ( 3.650 -7.302 -3.835) 9.019 11.561 ( 3.650 7.302 -3.835) 9.019 11.898 ( -1.830 -5.844 -1.279) 6.256 11.898 ( -1.830 5.844 -1.279) 6.256 13.002 ( 3.771 -9.764 -4.711) 11.478 13.002 ( 3.771 9.764 -4.711) 11.478 14.290 ( -0.512 -2.033 2.729) 3.442 14.290 ( -0.512 2.033 2.729) 3.442 14.485 ( 1.175 -2.362 -2.082) 3.361 14.485 ( 1.175 2.362 -2.082) 3.361 15.287 ( -0.661 -4.950 -9.525) 10.754 15.287 ( -0.661 4.950 -9.525) 10.754 16.295 ( -2.509 -4.045 -2.404) 5.333 16.295 ( -2.509 4.045 -2.404) 5.333 16.593 ( 6.095 -12.958 -2.119) 14.476 16.593 ( 6.095 12.958 -2.119) 14.476 17.877 ( -1.179 -6.343 2.067) 6.775 17.877 ( -1.179 6.343 2.067) 6.775 18.182 ( 0.393 -1.029 1.806) 2.116 18.182 ( 0.393 1.029 1.806) 2.116 18.947 ( 3.786 -4.196 5.765) 8.074 18.947 ( 3.786 4.196 5.765) 8.074 19.605 ( -11.749 -2.602 0.620) 12.049 19.605 ( -11.749 2.602 0.620) 12.049 20.126 ( -1.148 -3.912 7.549) 8.580 20.126 ( -1.148 3.912 7.549) 8.580 20.467 ( 4.482 -2.820 -4.561) 6.989 20.467 ( 4.482 2.820 -4.561) 6.989 ======================= Grid point 125 (64/87) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -3.977 0.000 11.162) 11.850 0.759 ( 2.964 0.000 4.757) 5.605 0.796 ( -2.678 0.000 3.850) 4.689 0.894 ( 0.778 0.000 -7.169) 7.211 0.931 ( -3.452 0.000 -0.645) 3.512 0.942 ( 5.996 0.000 -2.662) 6.560 1.013 ( -0.680 0.000 6.274) 6.311 1.089 ( 2.470 0.000 1.644) 2.967 1.131 ( -1.587 0.000 -0.697) 1.733 1.141 ( -0.836 0.000 -0.326) 0.897 1.180 ( -0.479 0.000 -4.505) 4.530 1.181 ( -0.590 0.000 -1.465) 1.580 1.229 ( -0.103 0.000 0.773) 0.780 1.243 ( -0.395 0.000 -0.539) 0.668 1.338 ( -0.588 0.000 3.066) 3.122 1.373 ( 0.735 0.000 -0.468) 0.871 1.471 ( -1.862 0.000 0.835) 2.041 1.480 ( -1.590 0.000 0.956) 1.855 1.567 ( 2.765 0.000 1.777) 3.287 1.653 ( 2.224 0.000 -5.041) 5.509 1.718 ( -3.069 0.000 1.039) 3.240 1.752 ( 4.527 0.000 -3.399) 5.661 1.905 ( 0.567 0.000 8.066) 8.086 2.012 ( -0.886 0.000 -2.335) 2.498 2.012 ( 1.124 0.000 1.179) 1.629 2.090 ( -2.459 0.000 -7.413) 7.810 2.283 ( -2.957 0.000 4.320) 5.235 2.342 ( 3.794 0.000 -1.731) 4.170 2.381 ( -1.045 0.000 4.739) 4.853 2.483 ( 2.954 0.000 -6.033) 6.717 2.747 ( -1.048 0.000 5.780) 5.875 2.859 ( 0.039 0.000 -5.868) 5.868 3.271 ( -3.143 0.000 6.669) 7.373 3.361 ( 0.392 0.000 -2.228) 2.262 3.437 ( -3.234 0.000 6.150) 6.948 3.574 ( 3.763 0.000 -6.246) 7.291 3.656 ( -0.759 0.000 4.092) 4.162 3.765 ( -0.008 0.000 -2.876) 2.876 3.820 ( 1.564 0.000 -1.178) 1.958 3.856 ( 0.451 0.000 -1.547) 1.611 4.009 ( -2.327 0.000 0.153) 2.332 4.019 ( 3.635 0.000 -1.278) 3.854 4.728 ( -5.272 0.000 4.389) 6.860 4.766 ( -0.724 0.000 3.351) 3.428 4.882 ( 2.473 0.000 2.813) 3.745 4.998 ( 0.739 0.000 -5.860) 5.906 5.189 ( -0.760 0.000 0.094) 0.766 5.193 ( -0.225 0.000 -1.858) 1.872 5.487 ( -0.836 0.000 -0.125) 0.845 5.491 ( 1.748 0.000 -0.520) 1.824 5.613 ( -2.264 0.000 7.249) 7.595 5.714 ( -1.365 0.000 -3.294) 3.566 5.853 ( 0.034 0.000 6.095) 6.095 5.985 ( 0.553 0.000 -6.689) 6.712 6.604 ( 0.458 0.000 2.457) 2.499 6.645 ( -1.156 0.000 -1.002) 1.530 6.788 ( -2.567 0.000 3.303) 4.183 6.863 ( 3.098 0.000 -4.548) 5.503 7.034 ( 1.754 0.000 -0.322) 1.783 7.054 ( -0.244 0.000 -2.231) 2.244 7.371 ( -1.824 0.000 3.604) 4.040 7.454 ( 2.614 0.000 -5.083) 5.716 8.141 ( -1.840 0.000 4.640) 4.992 8.202 ( 0.230 0.000 -1.645) 1.661 8.404 ( -4.419 0.000 8.388) 9.481 8.588 ( 3.514 0.000 -10.529) 11.100 9.231 ( -0.742 0.000 3.022) 3.112 9.279 ( -2.615 0.000 -0.084) 2.616 9.478 ( -5.160 0.000 10.064) 11.310 9.527 ( 1.596 0.000 -1.455) 2.160 9.612 ( -3.005 0.000 4.367) 5.301 9.743 ( 4.655 0.000 -9.166) 10.280 9.803 ( 0.116 0.000 -2.797) 2.799 9.928 ( 7.097 0.000 -11.814) 13.782 10.517 ( -4.361 0.000 3.936) 5.875 10.548 ( 3.955 0.000 1.141) 4.117 11.151 ( -5.845 0.000 5.708) 8.170 11.232 ( 5.249 0.000 -3.116) 6.104 11.368 ( -1.535 0.000 7.266) 7.427 11.448 ( 0.392 0.000 3.875) 3.895 11.514 ( 0.829 0.000 -8.093) 8.136 11.518 ( 3.591 0.000 -3.361) 4.918 11.777 ( -1.959 0.000 1.516) 2.477 11.800 ( 0.134 0.000 -0.870) 0.880 13.110 ( -0.500 0.000 7.700) 7.716 13.279 ( 0.780 0.000 -10.245) 10.274 14.350 ( -0.900 0.000 3.912) 4.014 14.365 ( -1.568 0.000 3.202) 3.565 14.417 ( 2.741 0.000 -2.893) 3.985 14.429 ( -0.078 0.000 -3.706) 3.706 14.839 ( -7.208 0.000 5.054) 8.804 14.955 ( 5.349 0.000 -7.652) 9.336 16.064 ( -0.576 0.000 -0.901) 1.070 16.066 ( -0.117 0.000 -1.275) 1.280 16.693 ( -4.571 0.000 8.451) 9.608 16.855 ( 3.453 0.000 -8.646) 9.310 17.803 ( 2.639 0.000 1.170) 2.887 17.842 ( -2.945 0.000 -3.442) 4.530 18.208 ( 1.518 0.000 0.636) 1.646 18.219 ( -1.929 0.000 -0.738) 2.065 19.063 ( 9.537 0.000 4.273) 10.451 19.132 ( -17.849 0.000 -3.116) 18.119 19.588 ( 10.516 0.000 1.644) 10.643 19.598 ( -7.565 0.000 0.192) 7.567 20.120 ( -3.527 0.000 6.952) 7.796 20.236 ( 3.503 0.000 -5.395) 6.432 20.405 ( -0.881 0.000 4.414) 4.501 20.490 ( 1.761 0.000 -4.457) 4.793 ======================= Grid point 126 (65/87) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -3.815 0.000 6.063) 7.163 0.776 ( -2.932 0.000 1.824) 3.453 0.819 ( 1.175 0.000 -2.494) 2.757 0.845 ( -0.320 0.000 -2.477) 2.498 0.896 ( -0.176 0.000 1.309) 1.321 1.004 ( 2.677 0.000 -3.126) 4.116 1.036 ( -0.915 0.000 2.840) 2.984 1.096 ( -2.238 0.000 2.489) 3.347 1.107 ( -2.304 0.000 1.222) 2.608 1.118 ( 1.466 0.000 -8.127) 8.258 1.168 ( -0.815 0.000 2.258) 2.401 1.174 ( 1.846 0.000 2.769) 3.328 1.249 ( 0.533 0.000 2.560) 2.615 1.285 ( 5.506 0.000 -1.368) 5.674 1.350 ( -0.407 0.000 1.535) 1.588 1.367 ( 0.008 0.000 -1.696) 1.696 1.461 ( -1.778 0.000 2.189) 2.820 1.462 ( -0.532 0.000 2.348) 2.408 1.637 ( 2.300 0.000 0.713) 2.407 1.667 ( 4.572 0.000 -6.790) 8.186 1.679 ( -0.511 0.000 0.312) 0.598 1.786 ( 1.990 0.000 -4.592) 5.005 1.976 ( 0.835 0.000 -6.011) 6.069 1.978 ( -0.053 0.000 5.563) 5.564 2.008 ( -1.350 0.000 -2.418) 2.770 2.042 ( 0.233 0.000 5.349) 5.354 2.256 ( -3.324 0.000 2.515) 4.168 2.392 ( 3.946 0.000 -3.394) 5.205 2.407 ( 0.156 0.000 3.160) 3.163 2.471 ( 1.693 0.000 -6.307) 6.531 2.788 ( -0.334 0.000 7.171) 7.179 2.834 ( 2.238 0.000 -5.606) 6.036 3.264 ( -3.676 0.000 6.638) 7.588 3.335 ( -2.735 0.000 1.603) 3.170 3.428 ( -1.572 0.000 2.168) 2.678 3.573 ( 0.765 0.000 -3.784) 3.861 3.672 ( 0.076 0.000 1.531) 1.532 3.727 ( -1.917 0.000 -2.179) 2.902 3.831 ( 0.675 0.000 -1.208) 1.384 3.846 ( 0.213 0.000 -2.195) 2.206 3.967 ( -1.661 0.000 -0.720) 1.811 4.059 ( 1.944 0.000 -1.804) 2.652 4.671 ( -5.694 0.000 6.448) 8.602 4.776 ( -1.579 0.000 4.395) 4.670 4.944 ( 1.440 0.000 2.796) 3.145 4.968 ( 2.375 0.000 -7.805) 8.159 5.178 ( -0.754 0.000 0.982) 1.238 5.183 ( -0.644 0.000 0.840) 1.059 5.468 ( -1.154 0.000 -0.146) 1.163 5.510 ( 0.990 0.000 -1.069) 1.457 5.632 ( -2.304 0.000 7.319) 7.673 5.681 ( 0.058 0.000 -1.328) 1.329 5.903 ( -0.418 0.000 6.845) 6.858 5.947 ( 1.693 0.000 -7.966) 8.144 6.612 ( -1.410 0.000 -1.280) 1.904 6.634 ( 0.307 0.000 2.888) 2.904 6.775 ( -1.831 0.000 3.081) 3.584 6.883 ( 3.055 0.000 -4.061) 5.082 7.037 ( 0.652 0.000 -2.702) 2.780 7.059 ( 1.338 0.000 -0.568) 1.454 7.358 ( -2.629 0.000 3.046) 4.024 7.443 ( 0.774 0.000 -4.870) 4.931 8.136 ( -3.163 0.000 4.770) 5.724 8.183 ( -1.153 0.000 -0.934) 1.484 8.391 ( -5.676 0.000 10.815) 12.214 8.564 ( 3.265 0.000 -10.005) 10.524 9.234 ( -2.406 0.000 0.883) 2.563 9.246 ( -1.671 0.000 5.820) 6.055 9.466 ( -4.514 0.000 8.452) 9.582 9.553 ( 1.685 0.000 -0.683) 1.818 9.602 ( -2.230 0.000 5.439) 5.878 9.722 ( 0.541 0.000 -7.484) 7.504 9.797 ( 3.052 0.000 -4.878) 5.754 9.933 ( 4.158 0.000 -12.031) 12.729 10.444 ( -6.020 0.000 1.021) 6.106 10.592 ( 0.487 0.000 0.083) 0.494 11.092 ( -5.193 0.000 4.496) 6.869 11.270 ( 0.893 0.000 -1.412) 1.671 11.381 ( -3.489 0.000 7.726) 8.477 11.398 ( -4.911 0.000 -6.094) 7.826 11.470 ( -0.699 0.000 2.165) 2.275 11.551 ( 3.932 0.000 -7.457) 8.431 11.768 ( -1.088 0.000 2.613) 2.830 11.828 ( 3.279 0.000 -1.839) 3.760 13.162 ( -0.696 0.000 7.052) 7.086 13.201 ( -1.029 0.000 -7.121) 7.195 14.355 ( -1.272 0.000 2.695) 2.980 14.383 ( -0.218 0.000 4.159) 4.164 14.399 ( -0.502 0.000 -2.261) 2.316 14.456 ( 5.032 0.000 -4.464) 6.726 14.789 ( -3.539 0.000 5.868) 6.853 14.984 ( 3.662 0.000 -5.331) 6.468 16.057 ( -0.306 0.000 1.079) 1.121 16.076 ( 1.712 0.000 -0.118) 1.716 16.660 ( -7.072 0.000 9.582) 11.909 16.807 ( -1.379 0.000 -7.030) 7.164 17.774 ( -2.426 0.000 -1.329) 2.766 17.863 ( 2.722 0.000 1.684) 3.200 18.181 ( -2.033 0.000 -0.014) 2.033 18.237 ( 1.131 0.000 0.702) 1.331 18.872 ( -11.307 0.000 2.821) 11.654 19.227 ( -0.986 0.000 8.004) 8.065 19.537 ( 4.984 0.000 -1.936) 5.347 19.768 ( 9.137 0.000 0.630) 9.159 20.111 ( -2.916 0.000 4.884) 5.688 20.246 ( 2.442 0.000 -5.273) 5.811 20.394 ( -3.742 0.000 3.432) 5.078 20.457 ( -1.030 0.000 -5.098) 5.201 ======================= Grid point 127 (66/87) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.375 0.000 2.309) 2.339 0.730 ( -1.950 0.000 -1.376) 2.387 0.768 ( -0.313 0.000 -7.169) 7.176 0.838 ( -1.436 0.000 0.232) 1.455 0.930 ( 1.656 0.000 2.593) 3.077 0.992 ( 0.000 0.000 -2.076) 2.076 1.051 ( 0.304 0.000 0.600) 0.672 1.066 ( -2.128 0.000 -0.761) 2.260 1.083 ( 1.286 0.000 -6.236) 6.368 1.084 ( -2.222 0.000 3.977) 4.555 1.188 ( -0.292 0.000 3.994) 4.005 1.236 ( 1.843 0.000 3.100) 3.607 1.281 ( 0.315 0.000 3.197) 3.212 1.347 ( -0.257 0.000 0.122) 0.284 1.360 ( 0.779 0.000 0.164) 0.796 1.381 ( 4.628 0.000 -1.971) 5.030 1.461 ( -0.707 0.000 3.142) 3.221 1.493 ( 2.159 0.000 3.320) 3.961 1.624 ( -2.413 0.000 1.811) 3.017 1.696 ( 6.055 0.000 -10.513) 12.132 1.726 ( 3.883 0.000 -1.850) 4.301 1.745 ( -1.399 0.000 -4.106) 4.338 1.927 ( -1.050 0.000 -3.927) 4.065 1.971 ( -2.534 0.000 0.758) 2.645 2.037 ( 5.379 0.000 -2.452) 5.912 2.109 ( -0.828 0.000 9.598) 9.634 2.215 ( -2.618 0.000 1.092) 2.837 2.388 ( -0.458 0.000 -5.249) 5.269 2.428 ( 0.227 0.000 1.081) 1.105 2.477 ( 3.508 0.000 -4.434) 5.654 2.842 ( -0.745 0.000 8.241) 8.274 2.847 ( 4.137 0.000 -4.722) 6.278 3.252 ( -3.684 0.000 6.690) 7.638 3.312 ( -2.473 0.000 5.176) 5.736 3.416 ( -0.448 0.000 -0.721) 0.849 3.549 ( -0.809 0.000 -1.555) 1.753 3.674 ( -2.388 0.000 -1.045) 2.607 3.680 ( 0.504 0.000 -0.957) 1.081 3.827 ( 0.299 0.000 -1.698) 1.725 3.832 ( 0.396 0.000 -2.619) 2.648 3.948 ( 0.078 0.000 -0.790) 0.794 4.054 ( -0.268 0.000 -2.654) 2.668 4.647 ( -3.224 0.000 7.342) 8.018 4.779 ( -2.399 0.000 4.717) 5.292 4.963 ( 4.237 0.000 -7.897) 8.961 4.967 ( -0.964 0.000 2.119) 2.328 5.177 ( -1.490 0.000 2.266) 2.712 5.178 ( -1.023 0.000 2.561) 2.758 5.451 ( -0.749 0.000 0.447) 0.873 5.509 ( 0.044 0.000 -1.088) 1.089 5.641 ( -3.070 0.000 6.325) 7.030 5.693 ( 2.566 0.000 -2.123) 3.330 5.920 ( 2.853 0.000 -8.266) 8.745 5.941 ( -1.755 0.000 7.078) 7.292 6.583 ( -1.060 0.000 -0.221) 1.082 6.654 ( -0.447 0.000 2.147) 2.193 6.774 ( -0.807 0.000 2.841) 2.953 6.900 ( 1.907 0.000 -2.929) 3.495 7.034 ( 1.666 0.000 -3.425) 3.808 7.068 ( 0.203 0.000 -0.896) 0.918 7.332 ( -2.379 0.000 1.645) 2.892 7.408 ( -0.469 0.000 -4.193) 4.219 8.107 ( -4.281 0.000 4.474) 6.193 8.148 ( -2.586 0.000 0.374) 2.613 8.379 ( -5.638 0.000 11.094) 12.444 8.547 ( 3.861 0.000 -9.711) 10.450 9.218 ( -1.462 0.000 3.669) 3.950 9.262 ( -2.799 0.000 7.978) 8.455 9.457 ( -3.933 0.000 7.956) 8.875 9.560 ( 0.093 0.000 -0.801) 0.807 9.629 ( 0.580 0.000 3.975) 4.017 9.660 ( -1.333 0.000 -5.913) 6.061 9.815 ( 4.064 0.000 -7.046) 8.134 9.878 ( 1.506 0.000 -14.060) 14.141 10.347 ( -4.995 0.000 0.964) 5.087 10.571 ( -2.152 0.000 -1.076) 2.406 11.053 ( -2.245 0.000 2.017) 3.018 11.189 ( -9.822 0.000 2.702) 10.187 11.329 ( 2.426 0.000 -5.994) 6.466 11.375 ( -3.787 0.000 6.666) 7.667 11.464 ( -2.160 0.000 3.139) 3.811 11.559 ( 4.431 0.000 -7.876) 9.037 11.773 ( -1.045 0.000 2.915) 3.096 11.857 ( 2.140 0.000 -3.342) 3.968 13.151 ( 0.213 0.000 -3.269) 3.276 13.189 ( -1.577 0.000 4.692) 4.950 14.354 ( -1.233 0.000 2.627) 2.902 14.379 ( -0.365 0.000 -1.008) 1.072 14.413 ( -0.393 0.000 4.506) 4.523 14.512 ( 5.828 0.000 -6.036) 8.391 14.798 ( 0.387 0.000 2.803) 2.830 14.990 ( 1.073 0.000 -3.740) 3.891 16.067 ( -0.916 0.000 3.672) 3.785 16.112 ( 2.231 0.000 -0.197) 2.239 16.612 ( -6.797 0.000 9.397) 11.597 16.717 ( -3.261 0.000 -3.824) 5.026 17.741 ( -0.798 0.000 0.465) 0.924 17.914 ( 1.252 0.000 1.565) 2.004 18.153 ( -1.363 0.000 0.619) 1.497 18.255 ( 0.294 0.000 0.389) 0.488 18.769 ( -4.653 0.000 4.563) 6.517 19.135 ( -9.223 0.000 -0.558) 9.240 19.722 ( 10.815 0.000 4.278) 11.630 19.912 ( 5.519 0.000 2.510) 6.063 20.099 ( -1.611 0.000 2.470) 2.949 20.236 ( 1.279 0.000 -5.359) 5.509 20.342 ( -4.357 0.000 2.241) 4.900 20.387 ( -1.804 0.000 -5.248) 5.549 ======================= Grid point 128 (67/87) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -2.552 0.000 1.252) 2.842 0.711 ( 0.151 0.000 -5.350) 5.352 0.711 ( 2.798 0.000 -2.950) 4.066 0.797 ( -3.041 0.000 -0.103) 3.043 0.985 ( 2.300 0.000 1.449) 2.719 0.988 ( 0.849 0.000 -1.132) 1.415 1.031 ( -1.537 0.000 1.084) 1.881 1.038 ( -2.384 0.000 1.311) 2.721 1.068 ( 2.733 0.000 -5.961) 6.557 1.086 ( -1.091 0.000 2.952) 3.147 1.211 ( -0.485 0.000 3.076) 3.114 1.267 ( 0.815 0.000 -1.942) 2.106 1.303 ( -1.409 0.000 6.223) 6.380 1.374 ( 1.857 0.000 2.763) 3.329 1.375 ( 0.781 0.000 0.114) 0.789 1.412 ( 0.248 0.000 0.711) 0.753 1.473 ( -0.342 0.000 1.337) 1.380 1.582 ( 2.611 0.000 3.046) 4.012 1.602 ( -2.441 0.000 3.318) 4.119 1.663 ( 1.929 0.000 -9.384) 9.580 1.738 ( 3.355 0.000 -6.016) 6.888 1.765 ( 2.795 0.000 -2.980) 4.085 1.893 ( 0.588 0.000 -2.765) 2.827 1.924 ( -3.241 0.000 0.652) 3.306 2.123 ( 6.431 0.000 -2.917) 7.062 2.141 ( -3.802 0.000 8.371) 9.194 2.192 ( -0.649 0.000 0.622) 0.899 2.323 ( -2.318 0.000 -4.222) 4.816 2.433 ( 0.147 0.000 -0.295) 0.330 2.482 ( 1.151 0.000 -4.791) 4.927 2.884 ( -2.125 0.000 8.200) 8.471 2.907 ( 5.789 0.000 -2.765) 6.416 3.246 ( -3.322 0.000 7.374) 8.087 3.334 ( -0.707 0.000 6.737) 6.774 3.402 ( 0.288 0.000 -2.274) 2.292 3.528 ( -0.525 0.000 -0.569) 0.774 3.631 ( -1.984 0.000 0.166) 1.991 3.668 ( -0.383 0.000 -2.829) 2.854 3.817 ( 0.596 0.000 -3.084) 3.141 3.819 ( 0.792 0.000 -2.652) 2.768 3.954 ( 1.102 0.000 -0.358) 1.159 4.021 ( -0.889 0.000 -2.311) 2.476 4.669 ( -1.008 0.000 6.736) 6.811 4.766 ( -3.149 0.000 4.283) 5.316 4.954 ( -2.451 0.000 2.589) 3.565 4.988 ( 5.406 0.000 -7.199) 9.003 5.169 ( -1.756 0.000 3.011) 3.486 5.180 ( -1.334 0.000 3.101) 3.376 5.451 ( 0.023 0.000 1.140) 1.140 5.498 ( -0.274 0.000 -0.962) 1.000 5.623 ( -3.944 0.000 4.854) 6.255 5.720 ( 3.558 0.000 -5.423) 6.486 5.930 ( 5.310 0.000 -6.112) 8.097 5.949 ( -3.510 0.000 6.199) 7.124 6.575 ( -0.297 0.000 1.494) 1.523 6.649 ( -1.397 0.000 0.812) 1.616 6.795 ( 0.676 0.000 2.577) 2.664 6.897 ( 0.066 0.000 -2.083) 2.084 7.038 ( 2.153 0.000 -3.861) 4.421 7.053 ( -0.895 0.000 -1.207) 1.503 7.308 ( -1.060 0.000 0.357) 1.119 7.364 ( -1.062 0.000 -3.169) 3.342 8.067 ( -3.645 0.000 3.882) 5.325 8.103 ( -3.352 0.000 1.827) 3.818 8.373 ( -4.559 0.000 9.634) 10.658 8.544 ( 4.725 0.000 -9.910) 10.979 9.239 ( -0.929 0.000 6.399) 6.466 9.279 ( -3.047 0.000 9.364) 9.847 9.452 ( -4.808 0.000 9.301) 10.471 9.554 ( 0.136 0.000 -0.953) 0.962 9.588 ( -1.022 0.000 -6.201) 6.285 9.671 ( 1.636 0.000 1.081) 1.961 9.782 ( 2.429 0.000 -16.468) 16.646 9.820 ( 3.418 0.000 -8.377) 9.048 10.307 ( -1.744 0.000 3.883) 4.256 10.508 ( -3.341 0.000 -2.082) 3.936 11.040 ( -0.084 0.000 -0.435) 0.444 11.049 ( -8.645 0.000 4.437) 9.717 11.335 ( 2.487 0.000 -3.958) 4.675 11.356 ( -3.302 0.000 4.125) 5.284 11.449 ( -4.039 0.000 6.783) 7.894 11.585 ( 5.592 0.000 -8.052) 9.804 11.778 ( -0.711 0.000 2.313) 2.420 11.853 ( 0.865 0.000 -3.624) 3.726 13.152 ( 1.772 0.000 -1.148) 2.112 13.184 ( -2.207 0.000 2.560) 3.380 14.353 ( -1.204 0.000 2.399) 2.684 14.370 ( -0.046 0.000 -0.310) 0.314 14.437 ( -1.399 0.000 5.316) 5.497 14.554 ( 4.449 0.000 -6.419) 7.810 14.842 ( 3.607 0.000 -0.822) 3.699 14.964 ( -0.407 0.000 -3.890) 3.912 16.079 ( -1.675 0.000 5.126) 5.393 16.144 ( 1.950 0.000 -1.103) 2.241 16.579 ( -4.868 0.000 8.006) 9.370 16.652 ( -1.468 0.000 -1.562) 2.144 17.760 ( 1.734 0.000 2.484) 3.029 17.923 ( -1.324 0.000 0.500) 1.416 18.143 ( -0.717 0.000 1.483) 1.647 18.248 ( -0.919 0.000 -1.059) 1.402 18.758 ( -1.284 0.000 4.446) 4.628 18.970 ( -6.272 0.000 -4.459) 7.696 19.912 ( 6.312 0.000 4.417) 7.704 19.980 ( -1.414 0.000 5.347) 5.531 20.105 ( 0.487 0.000 1.338) 1.423 20.209 ( 0.743 0.000 -5.444) 5.495 20.294 ( -1.767 0.000 -0.076) 1.769 20.325 ( -0.521 0.000 -4.449) 4.480 ======================= Grid point 129 (68/87) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -3.782 0.000 2.221) 4.386 0.677 ( -0.661 0.000 -1.793) 1.911 0.740 ( -2.519 0.000 -0.854) 2.660 0.758 ( 3.552 0.000 -1.735) 3.953 0.990 ( -2.215 0.000 2.407) 3.271 0.991 ( -1.141 0.000 0.153) 1.151 1.008 ( -0.763 0.000 0.230) 0.797 1.062 ( 2.783 0.000 -0.077) 2.784 1.080 ( -1.326 0.000 0.528) 1.427 1.082 ( 2.799 0.000 -2.657) 3.859 1.217 ( -0.878 0.000 1.897) 2.091 1.257 ( 0.544 0.000 -1.971) 2.045 1.334 ( -1.395 0.000 6.622) 6.768 1.384 ( 0.076 0.000 -0.015) 0.077 1.421 ( -0.146 0.000 3.160) 3.164 1.424 ( -0.011 0.000 2.166) 2.166 1.470 ( -0.108 0.000 -0.350) 0.366 1.554 ( -1.496 0.000 -5.809) 5.999 1.597 ( -1.781 0.000 5.375) 5.662 1.692 ( 2.998 0.000 -1.234) 3.242 1.728 ( 0.535 0.000 -4.290) 4.324 1.767 ( -0.221 0.000 -3.820) 3.826 1.878 ( -1.890 0.000 0.368) 1.926 1.911 ( 3.847 0.000 -3.189) 4.997 2.117 ( -5.360 0.000 6.502) 8.427 2.202 ( 1.147 0.000 1.698) 2.049 2.206 ( 4.957 0.000 -3.049) 5.820 2.248 ( -2.773 0.000 -2.658) 3.841 2.435 ( 0.667 0.000 -0.746) 1.000 2.455 ( 0.086 0.000 -3.462) 3.464 2.889 ( -4.402 0.000 6.720) 8.033 2.979 ( 4.348 0.000 -2.726) 5.131 3.252 ( -3.328 0.000 8.377) 9.014 3.378 ( 0.826 0.000 1.587) 1.789 3.391 ( -0.859 0.000 1.838) 2.029 3.521 ( 0.580 0.000 -1.339) 1.459 3.622 ( 0.570 0.000 1.771) 1.860 3.626 ( -0.845 0.000 -4.010) 4.098 3.809 ( 0.929 0.000 -3.625) 3.743 3.811 ( 1.321 0.000 -2.534) 2.857 3.974 ( 1.054 0.000 0.252) 1.084 3.990 ( -1.084 0.000 -1.491) 1.844 4.711 ( 0.067 0.000 5.432) 5.432 4.742 ( -2.864 0.000 3.457) 4.489 4.924 ( -3.548 0.000 3.019) 4.659 5.025 ( 4.423 0.000 -6.104) 7.538 5.171 ( -0.364 0.000 2.617) 2.642 5.184 ( -0.796 0.000 2.770) 2.882 5.465 ( 0.196 0.000 1.558) 1.571 5.484 ( -0.504 0.000 -0.973) 1.096 5.591 ( -3.844 0.000 4.791) 6.142 5.731 ( 4.006 0.000 -7.635) 8.622 5.917 ( -4.784 0.000 4.078) 6.286 6.003 ( 7.542 0.000 -5.177) 9.148 6.595 ( 0.413 0.000 2.882) 2.911 6.624 ( -1.439 0.000 -0.452) 1.508 6.833 ( 1.208 0.000 2.277) 2.577 6.873 ( -0.577 0.000 -2.363) 2.432 7.022 ( -1.421 0.000 -0.967) 1.719 7.049 ( 2.342 0.000 -3.308) 4.054 7.305 ( 0.356 0.000 0.381) 0.521 7.327 ( -0.586 0.000 -1.953) 2.039 8.052 ( -1.460 0.000 3.720) 3.997 8.072 ( -1.912 0.000 2.828) 3.413 8.374 ( -3.451 0.000 8.044) 8.753 8.554 ( 5.527 0.000 -10.230) 11.628 9.277 ( -1.373 0.000 7.617) 7.739 9.304 ( -2.606 0.000 8.781) 9.159 9.428 ( -7.456 0.000 11.638) 13.822 9.545 ( 1.833 0.000 -5.316) 5.624 9.550 ( 0.810 0.000 -2.210) 2.354 9.680 ( 1.256 0.000 -5.719) 5.855 9.743 ( 6.167 0.000 -10.985) 12.598 9.803 ( 2.830 0.000 -9.237) 9.661 10.342 ( 0.806 0.000 6.158) 6.211 10.433 ( -2.726 0.000 -2.826) 3.927 10.971 ( -5.119 0.000 6.325) 8.137 11.046 ( 1.878 0.000 -1.241) 2.251 11.327 ( -2.434 0.000 1.206) 2.716 11.352 ( 2.473 0.000 -2.528) 3.536 11.429 ( -6.058 0.000 10.181) 11.847 11.615 ( 4.932 0.000 -8.315) 9.668 11.788 ( -0.102 0.000 2.065) 2.067 11.840 ( 1.373 0.000 -3.920) 4.154 13.157 ( -2.712 0.000 1.568) 3.133 13.186 ( 2.834 0.000 -0.888) 2.970 14.350 ( -1.277 0.000 2.291) 2.623 14.371 ( 0.413 0.000 -0.145) 0.438 14.445 ( -2.988 0.000 6.009) 6.710 14.562 ( 2.207 0.000 -5.990) 6.384 14.907 ( 5.613 0.000 -3.479) 6.604 14.925 ( 0.415 0.000 -5.201) 5.218 16.090 ( -1.651 0.000 4.943) 5.212 16.163 ( 1.887 0.000 -2.324) 2.993 16.571 ( -2.510 0.000 6.272) 6.756 16.643 ( 1.820 0.000 -1.541) 2.385 17.840 ( 4.411 0.000 3.246) 5.477 17.877 ( -3.323 0.000 -1.287) 3.563 18.154 ( 0.028 0.000 3.128) 3.128 18.211 ( -1.176 0.000 -2.548) 2.807 18.784 ( 0.128 0.000 4.553) 4.554 18.864 ( -2.210 0.000 -3.716) 4.324 19.971 ( -3.903 0.000 5.504) 6.747 20.008 ( 1.291 0.000 3.028) 3.291 20.120 ( -0.907 0.000 3.271) 3.395 20.181 ( 1.127 0.000 -5.549) 5.663 20.278 ( 0.479 0.000 -2.148) 2.200 20.304 ( 1.895 0.000 -3.560) 4.033 ======================= Grid point 130 (69/87) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -3.635 0.000 6.344) 7.312 0.643 ( -3.822 0.000 3.586) 5.241 0.723 ( 2.402 0.000 -3.084) 3.909 0.796 ( 1.421 0.000 -0.065) 1.422 0.960 ( -3.542 0.000 4.595) 5.802 0.975 ( -0.637 0.000 0.054) 0.639 1.006 ( -0.384 0.000 -0.426) 0.574 1.060 ( 0.357 0.000 -1.671) 1.709 1.081 ( 1.234 0.000 -2.692) 2.961 1.120 ( 1.878 0.000 -0.162) 1.885 1.222 ( -0.179 0.000 2.073) 2.081 1.258 ( 0.769 0.000 -1.340) 1.545 1.349 ( -1.849 0.000 3.835) 4.258 1.372 ( -1.116 0.000 -0.721) 1.328 1.406 ( -4.308 0.000 4.201) 6.017 1.435 ( -0.782 0.000 -0.094) 0.788 1.473 ( -0.632 0.000 2.440) 2.521 1.490 ( -0.491 0.000 -3.572) 3.605 1.629 ( 0.337 0.000 4.727) 4.739 1.688 ( -4.019 0.000 -4.005) 5.673 1.694 ( 1.456 0.000 -5.568) 5.755 1.721 ( -0.322 0.000 0.644) 0.720 1.877 ( 1.451 0.000 -0.858) 1.686 1.956 ( 3.649 0.000 -2.641) 4.504 2.060 ( -6.028 0.000 4.070) 7.273 2.203 ( -0.475 0.000 -0.444) 0.651 2.234 ( 0.271 0.000 3.871) 3.881 2.258 ( 3.233 0.000 -3.266) 4.596 2.440 ( 0.375 0.000 -1.099) 1.161 2.440 ( 0.248 0.000 -0.787) 0.825 2.838 ( -6.273 0.000 4.766) 7.878 3.005 ( 1.740 0.000 -4.058) 4.415 3.260 ( -3.454 0.000 8.321) 9.010 3.364 ( 1.300 0.000 -5.580) 5.729 3.416 ( -2.535 0.000 8.426) 8.799 3.521 ( 2.236 0.000 -5.263) 5.718 3.596 ( -0.093 0.000 -0.582) 0.589 3.678 ( 3.222 0.000 2.435) 4.039 3.796 ( 1.232 0.000 -4.099) 4.280 3.821 ( 1.769 0.000 -1.856) 2.564 3.960 ( -0.839 0.000 -1.193) 1.458 3.992 ( 0.483 0.000 0.941) 1.058 4.727 ( -1.471 0.000 2.416) 2.829 4.752 ( 0.136 0.000 4.253) 4.255 4.880 ( -3.925 0.000 2.669) 4.747 5.037 ( 1.748 0.000 -4.155) 4.507 5.194 ( -0.259 0.000 1.829) 1.847 5.198 ( 1.962 0.000 0.018) 1.962 5.467 ( -0.483 0.000 -1.014) 1.123 5.480 ( 0.142 0.000 1.425) 1.432 5.574 ( -3.153 0.000 6.665) 7.373 5.747 ( 4.461 0.000 -7.011) 8.310 5.857 ( -4.462 0.000 2.239) 4.992 6.080 ( 6.300 0.000 -7.591) 9.865 6.597 ( -0.860 0.000 -1.015) 1.331 6.629 ( 0.523 0.000 3.255) 3.296 6.848 ( 0.397 0.000 -3.238) 3.262 6.862 ( -0.277 0.000 2.025) 2.044 6.997 ( -0.747 0.000 -0.129) 0.758 7.066 ( 2.053 0.000 -2.276) 3.065 7.322 ( 0.707 0.000 1.289) 1.471 7.325 ( 2.196 0.000 -1.382) 2.595 8.072 ( -0.068 0.000 3.898) 3.899 8.091 ( 1.679 0.000 2.511) 3.021 8.380 ( -2.725 0.000 7.161) 7.662 8.574 ( 6.084 0.000 -10.424) 12.070 9.304 ( -2.493 0.000 1.083) 2.719 9.305 ( -2.002 0.000 6.568) 6.866 9.413 ( -6.772 0.000 18.093) 19.319 9.547 ( 1.908 0.000 -4.449) 4.841 9.568 ( 3.930 0.000 -1.649) 4.262 9.664 ( 2.086 0.000 -5.349) 5.741 9.779 ( 3.068 0.000 -9.241) 9.737 9.779 ( 6.453 0.000 -8.790) 10.904 10.379 ( -0.637 0.000 -2.777) 2.850 10.418 ( 1.439 0.000 7.125) 7.269 10.966 ( -1.800 0.000 7.297) 7.515 11.095 ( 4.477 0.000 -0.249) 4.484 11.292 ( -2.228 0.000 0.311) 2.249 11.377 ( 2.072 0.000 -1.325) 2.459 11.403 ( -6.508 0.000 11.161) 12.920 11.617 ( 2.800 0.000 -8.065) 8.537 11.804 ( -0.099 0.000 2.237) 2.239 11.844 ( 3.070 0.000 -4.977) 5.848 13.117 ( -3.232 0.000 1.828) 3.713 13.234 ( 3.975 0.000 -2.219) 4.552 14.345 ( -1.578 0.000 2.648) 3.082 14.381 ( 1.009 0.000 -0.571) 1.159 14.429 ( -4.167 0.000 5.962) 7.274 14.539 ( 0.472 0.000 -5.393) 5.413 14.903 ( 2.626 0.000 -6.873) 7.357 14.971 ( 5.074 0.000 -4.712) 6.924 16.100 ( -1.139 0.000 3.466) 3.648 16.170 ( 1.546 0.000 -3.842) 4.142 16.592 ( -0.364 0.000 5.111) 5.124 16.685 ( 4.968 0.000 -3.245) 5.934 17.803 ( -2.950 0.000 -2.155) 3.653 17.936 ( 4.156 0.000 -0.302) 4.167 18.178 ( -0.437 0.000 -2.036) 2.082 18.202 ( 2.108 0.000 4.248) 4.743 18.824 ( 0.258 0.000 -2.527) 2.540 18.851 ( 3.103 0.000 7.466) 8.085 19.934 ( -4.663 0.000 2.932) 5.508 20.000 ( -5.071 0.000 3.310) 6.056 20.132 ( -0.802 0.000 3.363) 3.457 20.169 ( 3.176 0.000 -6.366) 7.114 20.265 ( -0.730 0.000 0.128) 0.741 20.335 ( 4.617 0.000 -3.376) 5.720 ======================= Grid point 131 (70/87) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -2.923 0.000 10.025) 10.442 0.625 ( -1.948 0.000 5.527) 5.860 0.762 ( 4.966 0.000 -3.446) 6.045 0.807 ( -1.014 0.000 2.715) 2.899 0.951 ( -2.058 0.000 5.643) 6.007 0.975 ( 0.738 0.000 -0.079) 0.742 0.981 ( -0.567 0.000 -2.791) 2.848 1.070 ( -0.702 0.000 -1.427) 1.590 1.080 ( 2.713 0.000 -0.727) 2.809 1.140 ( 1.245 0.000 -1.024) 1.612 1.236 ( -0.346 0.000 1.573) 1.611 1.251 ( -0.421 0.000 -1.062) 1.143 1.319 ( -5.611 0.000 3.754) 6.751 1.340 ( -1.507 0.000 -1.343) 2.019 1.360 ( -2.608 0.000 1.253) 2.894 1.385 ( -1.841 0.000 -3.555) 4.003 1.484 ( -2.024 0.000 5.981) 6.314 1.488 ( 0.495 0.000 0.312) 0.585 1.582 ( -2.419 0.000 -4.351) 4.978 1.685 ( 2.122 0.000 -4.347) 4.837 1.690 ( 1.603 0.000 3.392) 3.751 1.707 ( -1.129 0.000 -0.692) 1.324 1.892 ( -0.034 0.000 -0.051) 0.062 1.990 ( -3.994 0.000 2.580) 4.755 1.996 ( 3.027 0.000 -1.996) 3.626 2.224 ( 2.596 0.000 0.239) 2.607 2.256 ( 0.776 0.000 -4.851) 4.913 2.272 ( -1.299 0.000 6.042) 6.180 2.420 ( -2.778 0.000 1.048) 2.970 2.448 ( 1.471 0.000 -1.171) 1.880 2.768 ( -5.062 0.000 3.988) 6.444 2.979 ( -0.142 0.000 -5.651) 5.653 3.265 ( -3.102 0.000 7.318) 7.948 3.352 ( 1.985 0.000 -4.485) 4.905 3.432 ( -3.131 0.000 8.250) 8.824 3.523 ( 4.173 0.000 -7.501) 8.583 3.606 ( -0.128 0.000 2.860) 2.863 3.745 ( 2.517 0.000 0.670) 2.605 3.791 ( 1.849 0.000 -3.804) 4.230 3.838 ( 1.508 0.000 -1.273) 1.974 3.950 ( 0.945 0.000 -1.356) 1.653 4.012 ( 0.503 0.000 1.870) 1.936 4.730 ( 0.122 0.000 1.206) 1.212 4.777 ( -0.876 0.000 3.271) 3.386 4.840 ( -2.807 0.000 2.723) 3.911 5.030 ( 0.796 0.000 -2.741) 2.855 5.201 ( -0.266 0.000 0.932) 0.969 5.225 ( 2.027 0.000 -2.804) 3.460 5.456 ( 0.167 0.000 -0.648) 0.669 5.492 ( 0.137 0.000 0.795) 0.807 5.583 ( -2.832 0.000 8.015) 8.500 5.768 ( 3.625 0.000 -6.323) 7.289 5.812 ( -2.560 0.000 2.571) 3.628 6.089 ( 2.267 0.000 -8.720) 9.010 6.581 ( -0.220 0.000 -0.483) 0.530 6.657 ( -0.018 0.000 2.311) 2.311 6.839 ( 1.904 0.000 -4.008) 4.438 6.850 ( -2.884 0.000 2.469) 3.797 6.994 ( 0.292 0.000 0.282) 0.406 7.079 ( 1.198 0.000 -1.859) 2.212 7.346 ( 0.238 0.000 2.355) 2.367 7.375 ( 4.838 0.000 -2.847) 5.614 8.103 ( -0.137 0.000 4.099) 4.101 8.155 ( 3.619 0.000 0.024) 3.619 8.394 ( -2.005 0.000 6.530) 6.831 8.595 ( 5.825 0.000 -10.570) 12.068 9.259 ( -2.100 0.000 -0.686) 2.209 9.315 ( -1.903 0.000 4.692) 5.063 9.455 ( -5.095 0.000 16.167) 16.950 9.542 ( 2.519 0.000 -6.635) 7.097 9.654 ( 5.575 0.000 0.810) 5.633 9.655 ( -0.701 0.000 -0.490) 0.856 9.771 ( 4.332 0.000 -8.354) 9.410 9.827 ( 7.646 0.000 -10.051) 12.629 10.375 ( 2.231 0.000 -0.897) 2.404 10.492 ( 0.237 0.000 7.121) 7.125 11.023 ( 2.313 0.000 5.813) 6.256 11.191 ( 4.581 0.000 2.904) 5.424 11.254 ( -2.378 0.000 1.086) 2.615 11.390 ( -4.344 0.000 9.880) 10.793 11.402 ( 1.514 0.000 -0.010) 1.514 11.593 ( 1.913 0.000 -7.548) 7.787 11.814 ( -0.860 0.000 2.046) 2.220 11.854 ( 2.452 0.000 -5.616) 6.128 13.080 ( -3.150 0.000 3.455) 4.675 13.285 ( 5.067 0.000 -5.189) 7.252 14.339 ( -1.863 0.000 3.452) 3.923 14.394 ( 1.282 0.000 -1.443) 1.930 14.401 ( -3.893 0.000 4.961) 6.307 14.499 ( -0.221 0.000 -4.715) 4.721 14.905 ( 4.495 0.000 -8.275) 9.417 14.994 ( 1.177 0.000 -4.274) 4.433 16.102 ( -0.920 0.000 1.200) 1.512 16.150 ( -0.064 0.000 -4.719) 4.719 16.636 ( 0.509 0.000 5.146) 5.171 16.757 ( 7.027 0.000 -5.728) 9.066 17.756 ( -0.739 0.000 -1.127) 1.348 17.962 ( 0.824 0.000 -3.561) 3.655 18.166 ( 0.433 0.000 -0.818) 0.926 18.261 ( 1.515 0.000 0.035) 1.515 18.832 ( 2.784 0.000 -1.933) 3.389 19.042 ( 10.731 0.000 9.666) 14.443 19.819 ( -8.946 0.000 -4.760) 10.134 19.896 ( -9.260 0.000 3.129) 9.775 20.134 ( -2.531 0.000 4.365) 5.046 20.186 ( 4.266 0.000 -6.210) 7.535 20.283 ( 0.487 0.000 5.773) 5.793 20.401 ( 5.769 0.000 -3.502) 6.749 ======================= Grid point 132 (71/87) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -2.812 0.000 11.969) 12.295 0.669 ( 1.554 0.000 6.107) 6.302 0.809 ( -2.158 0.000 4.253) 4.769 0.839 ( 7.359 0.000 -4.564) 8.659 0.945 ( -0.578 0.000 -3.440) 3.489 0.975 ( -0.726 0.000 5.783) 5.828 0.985 ( -0.877 0.000 -0.316) 0.932 1.047 ( 0.087 0.000 0.435) 0.444 1.124 ( 2.483 0.000 -0.777) 2.602 1.149 ( 0.693 0.000 -1.379) 1.544 1.219 ( -1.789 0.000 -1.158) 2.131 1.236 ( -3.925 0.000 3.412) 5.201 1.238 ( -1.438 0.000 -2.706) 3.065 1.289 ( -2.806 0.000 -1.662) 3.262 1.336 ( -1.080 0.000 0.692) 1.282 1.358 ( 0.668 0.000 -0.338) 0.749 1.492 ( -0.496 0.000 0.092) 0.504 1.492 ( -1.890 0.000 4.121) 4.534 1.537 ( -0.171 0.000 -0.806) 0.824 1.671 ( -0.297 0.000 -3.187) 3.201 1.707 ( 3.187 0.000 -2.946) 4.340 1.736 ( 0.175 0.000 2.514) 2.520 1.870 ( -2.720 0.000 4.104) 4.924 1.983 ( 0.954 0.000 0.804) 1.248 2.024 ( 1.540 0.000 -1.776) 2.351 2.192 ( -1.916 0.000 -7.487) 7.728 2.284 ( 3.893 0.000 -0.383) 3.912 2.292 ( -2.709 0.000 6.610) 7.144 2.380 ( -2.942 0.000 3.391) 4.489 2.468 ( 2.682 0.000 -3.278) 4.235 2.736 ( -2.597 0.000 4.632) 5.311 2.919 ( -0.940 0.000 -6.324) 6.393 3.269 ( -2.785 0.000 6.678) 7.235 3.359 ( 2.243 0.000 -3.648) 4.282 3.440 ( -3.515 0.000 8.067) 8.799 3.547 ( 5.112 0.000 -7.280) 8.896 3.631 ( -0.380 0.000 4.320) 4.336 3.773 ( 1.565 0.000 -2.408) 2.872 3.801 ( 1.838 0.000 -1.845) 2.604 3.852 ( 1.031 0.000 -0.863) 1.345 3.971 ( 2.804 0.000 -1.607) 3.232 4.029 ( -0.573 0.000 1.595) 1.695 4.748 ( 0.527 0.000 1.461) 1.554 4.770 ( -2.780 0.000 3.006) 4.094 4.835 ( -0.085 0.000 2.895) 2.897 5.022 ( 0.699 0.000 -2.996) 3.076 5.199 ( -0.556 0.000 0.329) 0.646 5.218 ( 0.487 0.000 -4.083) 4.112 5.465 ( 1.264 0.000 -0.197) 1.280 5.496 ( -0.227 0.000 0.316) 0.389 5.597 ( -2.609 0.000 7.424) 7.869 5.760 ( 0.883 0.000 -5.854) 5.920 5.814 ( -0.672 0.000 4.619) 4.667 6.038 ( -0.274 0.000 -6.994) 7.000 6.584 ( 0.249 0.000 0.990) 1.020 6.663 ( -0.614 0.000 0.494) 0.788 6.814 ( -3.437 0.000 3.168) 4.674 6.847 ( 2.771 0.000 -4.430) 5.226 7.009 ( 1.204 0.000 0.021) 1.204 7.074 ( 0.043 0.000 -1.956) 1.957 7.365 ( -0.680 0.000 3.258) 3.328 7.430 ( 4.481 0.000 -4.522) 6.366 8.129 ( -0.849 0.000 4.361) 4.443 8.198 ( 1.939 0.000 -1.618) 2.526 8.407 ( -2.516 0.000 6.243) 6.731 8.603 ( 4.652 0.000 -10.701) 11.668 9.231 ( -1.015 0.000 0.539) 1.150 9.311 ( -1.936 0.000 2.312) 3.016 9.479 ( -5.055 0.000 12.261) 13.262 9.528 ( 1.887 0.000 -6.010) 6.299 9.633 ( -2.923 0.000 3.392) 4.478 9.724 ( 4.396 0.000 -5.640) 7.151 9.802 ( 3.769 0.000 -4.201) 5.644 9.883 ( 8.338 0.000 -11.345) 14.080 10.448 ( 5.388 0.000 1.418) 5.572 10.532 ( -1.973 0.000 6.195) 6.501 11.133 ( 6.780 0.000 0.531) 6.801 11.201 ( -5.051 0.000 5.498) 7.466 11.308 ( 3.441 0.000 3.754) 5.093 11.409 ( -1.429 0.000 7.256) 7.396 11.442 ( 3.239 0.000 0.537) 3.284 11.566 ( 1.588 0.000 -7.428) 7.596 11.803 ( -1.970 0.000 1.463) 2.454 11.832 ( -0.421 0.000 -4.099) 4.120 13.073 ( -1.821 0.000 5.979) 6.251 13.314 ( 4.216 0.000 -8.992) 9.931 14.338 ( -1.607 0.000 4.175) 4.474 14.377 ( -2.694 0.000 3.601) 4.497 14.403 ( 1.439 0.000 -2.201) 2.629 14.461 ( -0.027 0.000 -4.231) 4.231 14.925 ( 5.473 0.000 -8.753) 10.323 14.938 ( -5.046 0.000 -0.576) 5.079 16.086 ( -0.944 0.000 -0.770) 1.218 16.100 ( -1.378 0.000 -3.444) 3.709 16.681 ( -1.043 0.000 6.580) 6.662 16.827 ( 6.854 0.000 -7.902) 10.460 17.760 ( 1.431 0.000 0.290) 1.460 17.919 ( -1.753 0.000 -4.584) 4.908 18.179 ( 1.252 0.000 0.142) 1.260 18.255 ( -0.912 0.000 -1.519) 1.772 18.902 ( 6.621 0.000 -0.276) 6.627 19.316 ( 12.065 0.000 1.394) 12.146 19.541 ( -15.851 0.000 -4.737) 16.544 19.745 ( -10.057 0.000 2.385) 10.336 20.126 ( -3.713 0.000 7.411) 8.290 20.213 ( 4.151 0.000 -5.722) 7.069 20.355 ( 1.557 0.000 5.877) 6.080 20.466 ( 4.625 0.000 -3.866) 6.028 ======================= Grid point 133 (72/87) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.822 -1.276 12.838) 12.928 0.709 ( -3.604 -1.158 6.084) 7.166 0.798 ( 0.138 -0.911 -1.681) 1.917 0.885 ( 1.627 -0.336 -5.814) 6.046 0.935 ( -2.527 -4.697 0.965) 5.420 0.964 ( 1.190 1.795 -1.357) 2.546 1.007 ( 1.081 -4.864 0.414) 5.000 1.020 ( -0.702 0.647 -1.000) 1.382 1.107 ( 0.779 -1.351 1.481) 2.150 1.114 ( -3.273 -1.843 1.461) 4.030 1.174 ( 1.826 1.920 -0.524) 2.701 1.196 ( 0.068 2.635 -3.150) 4.107 1.264 ( -1.575 1.619 0.996) 2.468 1.293 ( 1.780 2.209 -2.231) 3.609 1.374 ( -1.451 4.042 4.397) 6.147 1.401 ( -1.894 -0.991 0.566) 2.212 1.414 ( 0.572 -0.773 -0.064) 0.964 1.467 ( 2.705 -1.918 -3.318) 4.691 1.566 ( 0.495 -1.041 3.710) 3.885 1.620 ( -0.346 -3.688 -1.317) 3.931 1.741 ( -0.565 1.960 0.312) 2.064 1.776 ( 2.224 1.451 -2.435) 3.603 1.839 ( 0.168 -2.999 4.419) 5.343 1.936 ( 0.460 -5.923 -4.479) 7.441 2.053 ( -1.493 1.025 -0.077) 1.813 2.057 ( -0.102 1.186 -0.990) 1.548 2.247 ( -0.074 -1.907 3.076) 3.620 2.278 ( 0.546 -3.280 0.672) 3.393 2.396 ( -0.068 -1.536 0.899) 1.781 2.436 ( 2.183 -4.166 -2.715) 5.430 2.858 ( 0.224 7.005 3.214) 7.710 2.913 ( -1.516 4.196 -2.445) 5.088 3.254 ( -2.811 -0.468 7.609) 8.125 3.361 ( 1.368 -1.767 -3.765) 4.378 3.441 ( -4.246 2.627 7.978) 9.412 3.587 ( 4.087 0.707 -6.651) 7.838 3.714 ( -1.089 4.573 2.937) 5.543 3.738 ( -1.652 -1.426 3.886) 4.457 3.790 ( 2.368 -2.072 -4.041) 5.121 3.849 ( 2.218 0.735 -6.845) 7.233 4.141 ( 0.485 8.218 0.928) 8.284 4.155 ( 0.309 10.387 -0.635) 10.411 4.455 ( -4.979 -13.958 9.587) 17.650 4.621 ( 3.631 -12.844 -7.200) 15.166 4.907 ( -1.257 -2.044 2.264) 3.300 4.961 ( 1.386 -4.124 -3.225) 5.416 5.236 ( -0.750 5.016 1.401) 5.262 5.268 ( -0.923 3.962 -2.117) 4.586 5.466 ( 0.109 -0.303 3.393) 3.408 5.510 ( -0.928 -0.150 1.576) 1.835 5.574 ( -0.661 -1.294 0.569) 1.561 5.667 ( 2.637 -4.081 -6.024) 7.739 5.877 ( -2.549 1.504 3.542) 4.616 5.975 ( 2.935 -2.196 -6.242) 7.239 6.674 ( -1.793 6.206 2.812) 7.046 6.712 ( 0.572 7.213 -1.061) 7.313 6.833 ( -1.807 3.472 3.273) 5.102 6.890 ( 2.247 1.681 -2.783) 3.952 7.069 ( -0.559 -1.379 -0.204) 1.502 7.077 ( 0.381 -2.117 -1.085) 2.409 7.377 ( -0.444 5.396 4.008) 6.736 7.481 ( 1.849 3.916 -6.743) 8.014 8.024 ( -1.602 -7.702 4.457) 9.042 8.097 ( 0.630 -8.342 -2.909) 8.857 8.643 ( -2.778 15.800 3.259) 16.370 8.734 ( 1.754 10.265 -5.965) 12.001 9.241 ( 0.377 0.165 5.068) 5.084 9.335 ( -2.897 3.538 -1.761) 4.900 9.349 ( -5.784 -4.064 11.891) 13.834 9.462 ( 0.543 -2.082 0.200) 2.161 9.746 ( 0.670 -0.392 -4.110) 4.182 9.797 ( 1.756 3.219 -2.272) 4.313 9.877 ( 4.126 4.589 -7.917) 10.038 9.926 ( 2.418 7.440 -6.639) 10.260 10.359 ( -1.215 -12.899 5.157) 13.944 10.437 ( 0.836 -9.459 -2.197) 9.747 11.192 ( -6.420 2.318 8.305) 10.750 11.307 ( 3.739 -1.461 3.377) 5.246 11.339 ( 1.983 3.762 -1.250) 4.433 11.463 ( 1.996 1.189 2.436) 3.366 11.474 ( 2.412 -1.441 -6.158) 6.769 11.543 ( -0.744 3.221 -3.889) 5.104 11.773 ( -0.517 -0.747 2.585) 2.740 11.818 ( -2.012 0.014 -2.057) 2.877 12.994 ( -0.175 -7.606 4.903) 9.051 13.120 ( 1.162 -11.797 -8.366) 14.509 14.341 ( -0.867 -0.179 3.300) 3.417 14.376 ( -0.904 -0.909 1.907) 2.298 14.414 ( 2.038 1.260 -2.170) 3.232 14.447 ( 1.112 0.795 -3.330) 3.600 14.966 ( -5.834 9.357 3.387) 11.535 15.052 ( 2.990 6.239 -6.041) 9.185 16.103 ( -2.765 4.198 0.424) 5.044 16.134 ( 1.620 5.418 -2.786) 6.304 16.621 ( -4.007 -5.598 6.685) 9.596 16.755 ( 3.071 -8.487 -7.594) 11.795 17.828 ( 0.516 2.217 1.797) 2.900 17.868 ( -1.211 1.528 -2.725) 3.351 18.206 ( 0.845 -0.116 0.608) 1.047 18.215 ( -1.165 -0.394 -0.412) 1.297 19.056 ( 6.370 -0.406 3.723) 7.390 19.105 ( -13.046 -2.241 -1.419) 13.313 19.529 ( 3.482 -2.757 2.648) 5.170 19.566 ( -0.738 -3.140 -1.317) 3.484 20.184 ( -3.264 4.918 6.706) 8.934 20.288 ( 2.023 3.177 -3.795) 5.347 20.390 ( -0.179 -0.901 3.348) 3.472 20.470 ( 1.923 -1.843 -4.417) 5.158 ======================= Grid point 134 (73/87) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -3.918 0.680 5.020) 6.404 0.751 ( -2.079 -1.455 3.314) 4.174 0.780 ( 1.254 -2.895 2.937) 4.311 0.845 ( -0.879 1.156 -4.273) 4.513 0.912 ( -0.274 -8.169 -0.368) 8.182 0.978 ( -1.296 4.333 1.375) 4.727 0.993 ( -0.940 -2.652 -0.966) 2.975 1.036 ( 1.145 -3.083 0.341) 3.307 1.100 ( 2.161 -2.073 -0.152) 2.998 1.129 ( -0.602 -0.868 4.271) 4.399 1.170 ( -0.903 3.572 -1.533) 3.991 1.207 ( 1.331 2.424 -0.532) 2.816 1.268 ( 0.934 0.680 1.091) 1.589 1.329 ( 4.085 1.212 -2.636) 5.010 1.354 ( -2.180 -0.667 2.059) 3.072 1.382 ( -1.081 2.255 0.559) 2.563 1.427 ( 0.800 1.225 0.460) 1.533 1.491 ( 1.281 0.244 -0.486) 1.391 1.597 ( 0.299 -3.208 -0.689) 3.295 1.638 ( 4.230 -2.590 -0.121) 4.962 1.722 ( 0.116 2.615 -1.930) 3.252 1.808 ( 2.090 1.552 -4.098) 4.855 1.868 ( -0.766 -6.156 5.255) 8.130 1.896 ( 0.176 -5.217 -4.380) 6.814 2.022 ( -1.900 1.522 0.740) 2.545 2.062 ( 0.106 1.230 1.033) 1.610 2.245 ( -1.158 -1.234 0.470) 1.756 2.312 ( 2.593 -3.589 -0.763) 4.492 2.409 ( 0.902 -2.036 0.113) 2.229 2.448 ( 2.232 -3.005 -3.636) 5.219 2.872 ( -0.832 5.557 0.337) 5.629 2.900 ( 0.694 4.805 2.150) 5.310 3.256 ( -3.893 -0.321 7.427) 8.391 3.343 ( 0.465 -1.809 -4.164) 4.564 3.417 ( -5.171 3.096 7.151) 9.352 3.593 ( 2.799 0.400 -6.683) 7.256 3.705 ( -1.608 3.848 1.640) 4.482 3.730 ( -3.039 0.044 4.070) 5.079 3.795 ( 1.164 -3.206 -2.784) 4.403 3.832 ( 2.513 1.585 -6.838) 7.455 4.121 ( -1.479 11.111 -0.349) 11.214 4.174 ( 1.044 7.257 -0.957) 7.394 4.445 ( -4.964 -13.098 9.847) 17.122 4.621 ( 2.952 -13.454 -7.078) 15.487 4.894 ( -2.012 -2.070 2.334) 3.713 4.974 ( 2.403 -3.854 -2.587) 5.227 5.230 ( -1.407 4.127 1.612) 4.649 5.248 ( -0.740 4.246 1.145) 4.460 5.478 ( -1.020 0.897 0.780) 1.566 5.508 ( -0.067 0.113 0.661) 0.674 5.589 ( 0.889 -1.205 2.329) 2.769 5.686 ( 4.871 -5.010 -5.466) 8.871 5.855 ( -3.305 1.486 4.096) 5.469 5.973 ( 2.201 -1.465 -5.411) 6.023 6.651 ( -2.573 5.535 2.236) 6.501 6.724 ( 0.601 7.919 0.376) 7.951 6.830 ( -1.197 3.959 2.319) 4.742 6.905 ( 2.056 1.163 -3.059) 3.865 7.061 ( -0.284 -1.633 0.161) 1.666 7.075 ( 0.028 -2.733 -0.340) 2.754 7.392 ( -1.349 6.937 3.700) 7.977 7.448 ( 0.675 2.456 -6.838) 7.297 8.017 ( -3.209 -7.730 4.035) 9.292 8.078 ( -0.512 -8.251 -1.880) 8.478 8.614 ( -4.646 15.134 6.317) 17.045 8.714 ( 0.905 10.145 -4.825) 11.271 9.276 ( -2.092 4.071 -1.107) 4.709 9.291 ( 0.292 -0.376 5.206) 5.227 9.340 ( -6.597 -1.785 13.220) 14.882 9.471 ( 0.677 -3.517 -1.042) 3.730 9.710 ( -0.416 0.381 -4.964) 4.996 9.798 ( -0.017 4.539 -0.284) 4.548 9.866 ( 1.398 -1.842 -8.073) 8.397 9.937 ( 4.710 11.093 -5.777) 13.365 10.331 ( -4.027 -9.142 1.960) 10.180 10.464 ( 2.635 -11.781 -1.176) 12.130 11.129 ( -7.030 3.533 5.831) 9.793 11.325 ( -4.391 -2.581 5.630) 7.592 11.353 ( -5.076 2.074 -2.516) 6.033 11.412 ( 3.338 1.231 -6.184) 7.134 11.458 ( -2.247 -1.740 -4.398) 5.236 11.524 ( 0.889 2.486 -0.134) 2.643 11.763 ( -1.127 -0.887 1.981) 2.446 11.846 ( 3.176 0.014 0.553) 3.224 13.031 ( -0.092 -8.672 3.978) 9.541 13.074 ( 0.737 -9.580 -5.668) 11.155 14.355 ( -0.208 -0.291 2.108) 2.138 14.379 ( -1.136 -0.245 3.136) 3.345 14.430 ( 1.732 1.382 -3.566) 4.198 14.453 ( 3.386 0.429 -3.642) 4.991 14.913 ( -4.256 9.730 6.068) 12.232 15.064 ( 2.079 4.738 -2.954) 5.958 16.074 ( -1.605 3.084 2.359) 4.201 16.155 ( 2.039 5.298 -0.652) 5.714 16.573 ( -7.301 -6.380 7.143) 12.043 16.723 ( -0.790 -7.423 -5.218) 9.108 17.812 ( -1.950 2.930 0.047) 3.520 17.875 ( 1.480 0.620 1.109) 1.950 18.188 ( -1.193 0.771 0.015) 1.421 18.231 ( 1.039 -0.596 0.450) 1.279 18.896 ( -9.912 2.501 2.709) 10.576 19.141 ( -3.369 -7.057 5.430) 9.520 19.557 ( 7.740 2.150 -0.786) 8.071 19.720 ( 10.468 -4.058 -0.230) 11.229 20.170 ( -3.816 4.778 5.431) 8.179 20.283 ( 0.463 2.108 -2.970) 3.671 20.381 ( -2.947 -0.814 1.574) 3.439 20.440 ( -0.838 -1.533 -5.126) 5.415 ======================= Grid point 135 (74/87) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -1.247 0.153 1.870) 2.253 0.724 ( -0.121 0.406 -2.090) 2.133 0.798 ( -0.777 1.958 -2.981) 3.650 0.841 ( 1.543 -3.893 3.310) 5.338 0.911 ( -0.295 -6.559 0.932) 6.631 0.934 ( -3.422 3.461 0.993) 4.967 0.987 ( 0.182 -2.398 0.274) 2.420 1.055 ( 0.199 0.291 -0.110) 0.369 1.130 ( -0.881 4.030 -0.807) 4.204 1.139 ( 1.101 0.961 0.666) 1.607 1.187 ( 1.796 -4.120 4.112) 6.092 1.225 ( 0.826 2.085 1.001) 2.456 1.288 ( 0.111 -0.321 0.624) 0.710 1.335 ( -0.406 -2.182 1.834) 2.880 1.365 ( -0.842 1.313 0.995) 1.850 1.400 ( 3.079 0.793 -0.779) 3.274 1.444 ( 0.563 0.477 1.006) 1.248 1.502 ( 0.324 0.077 -0.594) 0.681 1.615 ( 1.637 0.028 2.276) 2.804 1.700 ( 4.259 -1.367 -6.511) 7.899 1.718 ( 2.076 1.146 -4.366) 4.969 1.770 ( -0.329 1.714 -3.271) 3.707 1.869 ( -1.150 -3.713 0.139) 3.890 1.931 ( 2.993 -7.489 2.037) 8.318 1.992 ( -2.109 1.537 0.431) 2.645 2.071 ( -0.348 -0.791 1.596) 1.814 2.223 ( -0.772 -0.825 -1.735) 2.070 2.335 ( 1.217 -2.947 -2.851) 4.277 2.420 ( 0.559 -2.027 -0.618) 2.192 2.469 ( 2.758 -1.992 -1.747) 3.824 2.876 ( 1.255 3.998 0.172) 4.194 2.929 ( -0.320 4.412 3.803) 5.834 3.238 ( -4.441 -0.828 6.581) 7.983 3.317 ( 0.140 -3.616 -3.554) 5.072 3.388 ( -4.045 4.352 6.759) 8.999 3.581 ( 2.047 -0.139 -6.835) 7.136 3.694 ( -1.767 5.095 2.265) 5.849 3.703 ( -2.234 0.095 2.406) 3.285 3.790 ( 1.184 -2.907 -2.858) 4.245 3.830 ( 2.184 1.330 -5.038) 5.650 4.097 ( -0.867 11.379 -0.296) 11.415 4.169 ( -0.152 7.354 -2.037) 7.633 4.442 ( -4.182 -12.837 9.576) 16.552 4.614 ( 2.614 -13.320 -6.678) 15.128 4.879 ( -2.200 -2.761 3.156) 4.735 4.990 ( 2.078 -4.914 -3.590) 6.430 5.223 ( -0.738 4.763 1.629) 5.087 5.248 ( -1.772 4.333 3.805) 6.033 5.463 ( -0.921 0.861 0.707) 1.446 5.506 ( -0.570 -0.213 0.058) 0.611 5.630 ( 1.095 0.558 2.594) 2.870 5.737 ( 5.494 -3.879 -5.970) 8.993 5.834 ( -2.362 1.409 3.669) 4.585 5.967 ( 1.451 -1.707 -3.777) 4.392 6.630 ( -1.787 6.034 2.315) 6.705 6.730 ( -0.596 7.245 0.913) 7.326 6.830 ( -0.312 3.923 1.251) 4.130 6.911 ( 1.160 0.419 -2.541) 2.824 7.059 ( -0.057 -2.975 -0.107) 2.978 7.073 ( -0.125 -2.060 0.021) 2.064 7.383 ( -1.709 7.020 0.259) 7.230 7.405 ( -0.076 2.805 -4.157) 5.016 7.982 ( -3.944 -7.893 3.582) 9.523 8.049 ( -1.455 -7.746 -1.130) 7.962 8.588 ( -4.817 14.311 8.278) 17.220 8.692 ( 0.783 9.584 -4.157) 10.475 9.251 ( -0.781 4.030 1.208) 4.279 9.315 ( -4.359 -6.065 8.706) 11.471 9.341 ( -3.500 4.618 10.151) 11.688 9.467 ( 1.169 -5.450 -3.755) 6.721 9.655 ( -0.896 0.366 -6.068) 6.145 9.783 ( 0.548 -4.630 -6.967) 8.383 9.829 ( -0.571 8.977 0.233) 8.998 9.978 ( 4.862 10.949 -5.725) 13.278 10.284 ( -2.572 -5.244 1.783) 6.107 10.481 ( 0.497 -9.735 -2.082) 9.968 11.056 ( -4.568 2.072 2.532) 5.619 11.184 ( -10.848 -0.366 1.491) 10.956 11.273 ( -6.518 -5.905 5.993) 10.643 11.379 ( -1.424 -3.909 -5.794) 7.133 11.463 ( 5.422 0.772 -5.167) 7.529 11.527 ( -0.117 3.556 -0.669) 3.620 11.773 ( 0.240 -0.188 1.624) 1.653 11.886 ( 0.765 0.460 0.115) 0.900 13.040 ( 0.838 -7.487 -1.464) 7.675 13.074 ( 0.315 -8.674 1.231) 8.766 14.365 ( -0.404 0.188 1.850) 1.903 14.384 ( -1.646 -0.039 3.969) 4.297 14.431 ( 1.198 1.891 -2.019) 3.015 14.491 ( 4.575 -1.220 -5.459) 7.226 14.912 ( -0.996 9.129 4.777) 10.351 15.070 ( 0.695 4.609 -1.698) 4.961 16.083 ( -0.561 2.492 4.032) 4.773 16.185 ( 1.219 5.281 0.469) 5.440 16.502 ( -6.730 -7.652 7.055) 12.394 16.656 ( -2.909 -6.097 -2.403) 7.170 17.789 ( -0.915 3.778 0.884) 3.986 17.905 ( 0.419 -0.968 1.660) 1.967 18.172 ( -0.743 1.690 -0.003) 1.846 18.246 ( 0.275 -0.943 -0.047) 0.983 18.800 ( -4.505 3.088 3.854) 6.684 19.053 ( -7.365 -6.781 0.232) 10.014 19.748 ( 10.726 2.449 2.712) 11.331 19.888 ( 8.024 -2.508 0.791) 8.444 20.141 ( -3.512 3.813 3.837) 6.450 20.259 ( -0.584 1.251 -2.559) 2.908 20.324 ( -3.806 -1.229 -0.015) 4.000 20.373 ( -1.649 -1.314 -5.329) 5.731 ======================= Grid point 136 (75/87) ======================= q-point: ( 0.38 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.768 -0.055 2.085) 2.223 0.716 ( 1.872 2.209 -4.108) 5.026 0.776 ( 0.910 3.367 -1.912) 3.978 0.865 ( -2.723 -0.476 -0.854) 2.894 0.902 ( -0.530 -0.918 4.564) 4.685 0.915 ( 0.386 -3.531 0.615) 3.605 1.005 ( 1.103 -2.338 1.447) 2.963 1.043 ( -0.836 1.646 -0.366) 1.882 1.106 ( -1.407 2.988 0.278) 3.315 1.147 ( 0.324 1.321 -2.048) 2.458 1.237 ( 0.406 0.313 2.327) 2.383 1.267 ( 1.852 -1.215 1.733) 2.812 1.284 ( -0.458 -1.569 1.792) 2.426 1.349 ( -0.226 0.456 2.560) 2.610 1.370 ( -0.050 -2.079 1.506) 2.568 1.429 ( 0.432 1.042 1.628) 1.981 1.459 ( 0.379 -0.290 -0.673) 0.825 1.507 ( 0.116 -3.520 2.110) 4.105 1.643 ( -0.828 2.010 -4.424) 4.930 1.689 ( 1.284 2.152 1.383) 2.862 1.714 ( 2.389 -1.368 -7.050) 7.569 1.795 ( 4.154 2.137 -3.254) 5.693 1.858 ( 0.594 -2.994 0.004) 3.053 1.942 ( -2.878 2.169 0.443) 3.631 1.991 ( -0.142 -7.800 2.971) 8.348 2.082 ( 1.560 -4.161 -1.422) 4.666 2.201 ( 0.677 -0.189 -2.270) 2.376 2.306 ( -1.445 -0.103 -3.474) 3.764 2.429 ( 0.630 -2.260 0.610) 2.424 2.496 ( 1.175 -1.559 -1.427) 2.418 2.919 ( 2.844 2.580 1.054) 3.982 2.948 ( -1.090 3.827 3.966) 5.618 3.213 ( -3.769 -1.980 5.677) 7.096 3.293 ( 0.063 -5.389 -2.878) 6.110 3.388 ( -2.383 4.180 6.759) 8.297 3.559 ( 1.738 -0.661 -6.736) 6.988 3.673 ( -2.238 4.520 3.330) 6.044 3.708 ( -0.023 2.703 2.088) 3.415 3.793 ( 1.662 -2.261 -2.921) 4.051 3.820 ( 1.438 1.661 -5.341) 5.775 4.085 ( -0.713 10.289 0.530) 10.327 4.145 ( -0.185 8.771 -2.764) 9.199 4.450 ( -3.521 -13.436 9.064) 16.586 4.606 ( 2.442 -12.814 -6.232) 14.457 4.867 ( -2.558 -4.392 4.300) 6.658 4.989 ( 1.796 -6.301 -5.119) 8.315 5.234 ( 0.183 5.455 2.299) 5.923 5.247 ( -1.770 5.323 3.915) 6.841 5.463 ( -0.223 0.714 1.823) 1.971 5.494 ( -0.916 -0.233 0.502) 1.070 5.653 ( -0.630 2.606 1.755) 3.205 5.766 ( 4.371 -1.048 -8.501) 9.617 5.841 ( -0.381 -0.810 4.340) 4.431 5.967 ( 1.547 -2.074 -3.081) 4.023 6.629 ( -0.640 6.313 2.937) 6.992 6.717 ( -1.311 6.633 0.308) 6.768 6.842 ( 0.678 3.289 0.809) 3.454 6.903 ( -0.079 0.166 -1.823) 1.832 7.057 ( -0.087 -4.233 -0.152) 4.236 7.071 ( 0.134 -1.237 -0.518) 1.348 7.350 ( -0.540 5.547 -2.303) 6.030 7.375 ( -0.807 5.085 -2.168) 5.587 7.946 ( -3.192 -7.312 3.756) 8.818 8.012 ( -1.494 -7.479 -1.231) 7.726 8.578 ( -3.906 14.330 8.247) 16.989 8.679 ( 1.709 8.971 -4.272) 10.082 9.267 ( -0.304 3.495 4.691) 5.857 9.299 ( -6.013 -6.010 10.914) 13.835 9.357 ( -3.240 4.367 7.780) 9.492 9.458 ( 2.549 -6.905 -6.370) 9.734 9.588 ( -0.877 0.147 -6.313) 6.375 9.725 ( 2.504 -5.186 -12.146) 13.442 9.845 ( -0.710 12.123 5.131) 13.183 10.007 ( 3.941 11.972 -6.715) 14.281 10.276 ( -0.779 -2.890 3.402) 4.531 10.447 ( -1.745 -6.420 -2.927) 7.269 11.018 ( -1.979 0.417 0.035) 2.022 11.032 ( -7.503 -1.535 3.851) 8.572 11.210 ( -6.500 -10.205 7.712) 14.348 11.322 ( 0.098 -7.240 -5.335) 8.994 11.504 ( 0.105 5.889 -0.693) 5.931 11.518 ( 3.471 -0.025 -5.019) 6.102 11.795 ( 0.910 0.108 1.437) 1.704 11.878 ( -0.877 0.128 -1.004) 1.339 13.054 ( 1.267 -6.680 -0.222) 6.803 13.082 ( -0.156 -7.635 0.443) 7.650 14.371 ( -0.709 0.773 2.173) 2.413 14.384 ( -1.679 0.567 3.570) 3.985 14.439 ( 0.393 1.029 0.081) 1.105 14.516 ( 3.195 -2.284 -5.460) 6.726 14.948 ( 2.011 8.376 1.755) 8.791 15.062 ( 0.630 5.832 -3.015) 6.596 16.111 ( -0.368 3.053 4.835) 5.730 16.200 ( 0.393 5.266 -0.300) 5.289 16.465 ( -3.806 -8.471 7.225) 11.766 16.596 ( -2.045 -5.920 -1.506) 6.442 17.798 ( 0.730 3.133 2.186) 3.889 17.909 ( -1.349 -1.316 1.063) 2.163 18.162 ( -0.546 1.607 0.321) 1.728 18.236 ( -0.736 -1.132 -1.426) 1.963 18.782 ( -1.456 2.287 3.755) 4.631 18.931 ( -4.799 -3.369 -2.480) 6.367 19.925 ( 6.277 1.402 3.057) 7.121 19.989 ( 0.995 -0.015 3.338) 3.483 20.122 ( -1.020 1.986 2.264) 3.180 20.228 ( 0.137 1.331 -3.967) 4.187 20.265 ( -2.319 -2.354 -0.427) 3.332 20.312 ( -0.492 -1.262 -4.565) 4.761 ======================= Grid point 137 (76/87) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -3.561 1.778 3.640) 5.394 0.719 ( 1.997 2.697 -3.827) 5.090 0.787 ( -3.825 3.707 0.654) 5.367 0.810 ( 2.941 3.154 -1.526) 4.575 0.902 ( -2.909 -4.243 4.080) 6.565 0.953 ( 2.632 -1.976 -0.934) 3.421 1.021 ( -2.321 1.283 2.107) 3.387 1.048 ( 1.636 -1.590 1.685) 2.836 1.091 ( -0.441 0.535 0.080) 0.698 1.126 ( 0.529 1.952 -3.662) 4.183 1.245 ( -0.908 0.971 1.253) 1.826 1.274 ( 1.089 0.651 -1.523) 1.982 1.333 ( -0.075 -1.277 6.295) 6.423 1.367 ( 0.575 -0.648 1.013) 1.333 1.371 ( -1.174 -2.836 1.109) 3.264 1.433 ( -0.158 0.811 -1.454) 1.672 1.469 ( 0.288 0.425 1.984) 2.050 1.528 ( -0.685 -4.878 3.677) 6.147 1.582 ( -1.366 2.006 -3.386) 4.166 1.669 ( -0.964 -2.615 -5.898) 6.524 1.730 ( -0.479 1.823 3.916) 4.346 1.819 ( 2.034 2.957 -4.598) 5.833 1.888 ( -2.752 0.638 -0.044) 2.825 1.905 ( 4.387 -0.957 -1.125) 4.629 1.989 ( -3.602 -5.888 4.888) 8.458 2.098 ( 3.941 -8.034 -5.683) 10.601 2.222 ( 2.298 1.208 -0.059) 2.597 2.239 ( -3.244 1.516 -2.260) 4.234 2.447 ( -0.152 -1.265 1.835) 2.234 2.484 ( -0.537 -2.368 -1.741) 2.988 2.938 ( -3.338 4.140 4.208) 6.781 2.985 ( 3.094 1.403 -0.286) 3.409 3.201 ( -2.653 -2.686 5.406) 6.593 3.280 ( 1.227 -6.218 -2.702) 6.890 3.406 ( -1.742 2.545 6.603) 7.288 3.536 ( 1.888 -0.780 -6.662) 6.968 3.671 ( -2.344 5.625 5.157) 7.983 3.723 ( -0.065 3.627 1.351) 3.871 3.795 ( 2.023 -0.350 -4.216) 4.689 3.803 ( 1.598 0.527 -5.024) 5.298 4.080 ( -0.982 8.611 1.808) 8.854 4.124 ( 0.533 10.230 -2.787) 10.616 4.460 ( -3.414 -14.046 8.530) 16.784 4.600 ( 2.438 -12.180 -6.023) 13.805 4.862 ( -2.363 -5.639 5.545) 8.254 4.976 ( 1.842 -7.372 -5.683) 9.489 5.248 ( -1.332 6.278 3.435) 7.280 5.264 ( 1.553 5.914 0.647) 6.148 5.475 ( -0.878 0.524 1.676) 1.963 5.487 ( -0.325 0.569 1.828) 1.942 5.645 ( -1.282 3.692 1.276) 4.112 5.762 ( 3.777 0.469 -9.403) 10.144 5.873 ( -1.221 -1.889 5.075) 5.551 5.970 ( 2.810 -3.377 -5.140) 6.761 6.653 ( 0.324 6.119 3.429) 7.022 6.694 ( -0.883 6.672 -0.917) 6.792 6.862 ( 0.448 1.940 1.054) 2.253 6.883 ( -0.313 0.821 -1.757) 1.965 7.055 ( -0.217 -3.920 0.344) 3.941 7.070 ( 0.617 -1.829 -1.209) 2.278 7.326 ( -1.532 6.833 -0.169) 7.004 7.362 ( 2.898 5.066 -3.893) 7.015 7.937 ( -1.330 -6.743 3.849) 7.877 7.986 ( -0.101 -7.343 -1.039) 7.417 8.581 ( -2.602 14.711 6.687) 16.368 8.686 ( 3.220 8.953 -4.692) 10.608 9.274 ( -6.536 -6.457 11.327) 14.585 9.314 ( -0.458 3.504 6.353) 7.270 9.352 ( -4.147 3.177 7.864) 9.441 9.458 ( 4.368 -7.008 -8.583) 11.910 9.538 ( 0.658 -0.149 -4.443) 4.494 9.693 ( 5.369 -2.725 -12.913) 14.247 9.875 ( -0.664 12.380 4.957) 13.352 10.007 ( 2.945 12.908 -8.291) 15.622 10.303 ( -0.621 -3.690 5.530) 6.678 10.393 ( -0.954 -3.757 -3.257) 5.063 10.944 ( -5.546 -1.310 6.573) 8.699 11.030 ( 2.703 -0.538 -2.330) 3.609 11.181 ( -4.324 -12.468 8.717) 15.815 11.301 ( 1.927 -8.527 -4.523) 9.843 11.473 ( -2.933 4.804 1.468) 5.816 11.549 ( 4.175 1.022 -6.119) 7.477 11.810 ( -2.079 0.311 2.851) 3.542 11.868 ( 2.732 -0.192 -3.239) 4.241 13.060 ( -1.675 -6.475 1.434) 6.840 13.089 ( 1.902 -7.237 -1.429) 7.618 14.373 ( -1.602 1.210 3.196) 3.775 14.387 ( -0.713 0.718 2.500) 2.697 14.439 ( -1.233 0.348 1.548) 2.010 14.513 ( 1.039 -2.749 -4.462) 5.344 15.004 ( 3.921 7.595 -1.307) 8.647 15.052 ( 2.614 7.714 -5.903) 10.059 16.142 ( -0.466 4.742 4.314) 6.427 16.201 ( 0.886 4.123 -1.721) 4.555 16.482 ( -0.809 -7.576 6.588) 10.072 16.566 ( 0.596 -7.055 -2.473) 7.499 17.849 ( 2.366 0.848 2.888) 3.828 17.877 ( -2.178 -0.088 -0.292) 2.199 18.162 ( -0.196 0.760 1.746) 1.915 18.204 ( -0.894 -0.717 -2.259) 2.533 18.800 ( -0.018 1.405 3.780) 4.032 18.858 ( -1.581 -0.681 -2.143) 2.748 19.987 ( -3.418 1.173 4.316) 5.629 20.008 ( 0.215 0.021 2.785) 2.793 20.133 ( -0.532 1.318 2.924) 3.251 20.199 ( 0.820 1.496 -5.080) 5.359 20.249 ( 0.766 -2.432 -1.089) 2.772 20.288 ( 1.787 -1.462 -3.919) 4.549 ======================= Grid point 138 (77/87) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -5.744 1.956 5.885) 8.453 0.721 ( 1.115 0.732 -2.903) 3.195 0.738 ( -1.802 5.704 2.084) 6.335 0.860 ( 0.866 -4.451 0.236) 4.540 0.884 ( -0.568 4.350 2.860) 5.237 0.973 ( 0.761 -2.645 -2.635) 3.810 1.005 ( -1.064 2.436 3.511) 4.404 1.051 ( -0.746 -0.925 -1.754) 2.118 1.101 ( 0.901 1.227 -1.188) 1.931 1.131 ( 1.634 0.858 0.824) 2.021 1.237 ( -0.956 0.247 1.101) 1.478 1.284 ( 1.156 0.680 -1.731) 2.189 1.332 ( -2.239 -2.588 -0.062) 3.423 1.369 ( -1.222 1.433 2.148) 2.857 1.395 ( 0.671 -3.211 3.542) 4.828 1.416 ( -0.644 1.275 -1.200) 1.866 1.464 ( -2.077 -0.741 0.039) 2.206 1.527 ( -0.797 2.161 -0.500) 2.357 1.575 ( -1.305 -3.945 6.988) 8.130 1.591 ( -2.574 -3.784 -4.495) 6.415 1.739 ( -1.137 1.358 2.248) 2.862 1.785 ( -0.792 4.173 -4.902) 6.486 1.870 ( 1.013 -1.097 -1.745) 2.297 1.957 ( -3.493 -7.400 5.180) 9.684 1.970 ( 3.717 1.560 -2.506) 4.746 2.130 ( 3.757 -6.696 -5.012) 9.169 2.170 ( -2.566 1.121 0.290) 2.815 2.260 ( 0.805 0.623 1.656) 1.944 2.434 ( -1.874 -2.029 0.570) 2.820 2.472 ( -0.859 -2.923 0.559) 3.097 2.894 ( -4.371 5.313 2.759) 7.413 3.015 ( 1.148 0.906 -1.583) 2.155 3.204 ( -1.929 -1.952 5.366) 6.027 3.297 ( 2.628 -6.273 -1.977) 7.082 3.427 ( -1.827 1.890 6.157) 6.695 3.523 ( 2.777 -0.225 -6.653) 7.213 3.662 ( -2.448 5.220 3.907) 6.964 3.729 ( -0.596 2.910 1.621) 3.384 3.791 ( 1.280 -1.021 -4.473) 4.763 3.811 ( 3.467 0.924 -3.905) 5.303 4.076 ( -0.990 8.451 1.808) 8.698 4.124 ( 1.256 10.873 -1.098) 11.001 4.466 ( -3.564 -14.324 8.204) 16.888 4.596 ( 2.712 -11.595 -6.198) 13.425 4.874 ( -1.523 -5.360 5.742) 8.001 4.966 ( 1.904 -7.549 -4.859) 9.177 5.250 ( -0.460 7.048 0.976) 7.130 5.292 ( 1.561 5.139 -0.613) 5.406 5.462 ( -1.857 0.647 1.906) 2.739 5.502 ( 0.254 0.814 0.971) 1.292 5.638 ( -1.106 3.867 2.104) 4.539 5.753 ( 2.815 0.107 -8.086) 8.563 5.869 ( -1.766 0.477 2.248) 2.899 5.984 ( 3.053 -6.668 -5.445) 9.134 6.669 ( -0.485 6.589 -0.429) 6.621 6.695 ( 0.837 6.359 1.995) 6.717 6.858 ( -0.206 1.119 -1.087) 1.574 6.879 ( -0.369 0.959 0.736) 1.264 7.057 ( 0.332 -3.321 0.071) 3.338 7.075 ( 1.010 -2.015 -1.093) 2.505 7.306 ( -0.437 5.743 0.225) 5.764 7.407 ( 5.062 6.874 -3.537) 9.240 7.956 ( -0.054 -7.325 3.372) 8.064 8.000 ( 2.467 -7.126 -0.533) 7.560 8.596 ( -0.641 14.912 4.390) 15.558 8.712 ( 4.106 9.463 -5.282) 11.590 9.241 ( -5.324 -4.485 6.765) 9.707 9.333 ( -4.223 -0.322 9.625) 10.515 9.366 ( -1.900 2.746 8.246) 8.897 9.469 ( 4.884 -6.141 -9.705) 12.480 9.552 ( 3.587 0.345 -1.101) 3.768 9.705 ( 7.503 -0.384 -12.622) 14.689 9.895 ( -1.081 12.238 3.595) 12.801 9.983 ( 2.369 12.404 -8.757) 15.367 10.313 ( -2.248 -6.128 2.898) 7.142 10.391 ( 1.897 -2.652 0.593) 3.315 10.940 ( -1.392 -1.162 7.598) 7.811 11.085 ( 5.231 -0.487 -1.148) 5.378 11.194 ( -1.995 -11.560 8.228) 14.329 11.309 ( 1.679 -4.937 -2.395) 5.739 11.439 ( -1.731 1.634 1.182) 2.658 11.561 ( 2.545 1.438 -5.423) 6.161 11.786 ( -1.965 0.385 1.727) 2.644 11.907 ( 3.673 0.515 -2.961) 4.746 13.029 ( -2.876 -5.848 1.370) 6.660 13.115 ( 2.395 -8.872 -2.039) 9.413 14.366 ( -2.646 1.060 4.409) 5.250 14.396 ( -0.387 0.345 1.714) 1.791 14.422 ( -1.908 0.386 1.599) 2.519 14.489 ( 0.160 -2.464 -3.753) 4.492 15.034 ( 2.946 8.618 -6.019) 10.916 15.079 ( 5.357 7.501 -6.003) 11.000 16.158 ( -0.257 5.767 1.207) 5.897 16.208 ( 1.512 3.847 -1.990) 4.588 16.521 ( 0.226 -6.321 3.375) 7.169 16.590 ( 4.635 -8.442 -2.478) 9.944 17.827 ( -2.100 2.063 -0.712) 3.028 17.924 ( 3.248 -1.316 0.190) 3.509 18.177 ( -0.334 -0.048 -1.128) 1.178 18.190 ( 1.011 -0.834 3.287) 3.538 18.833 ( 0.442 0.745 -1.019) 1.337 18.854 ( 2.539 0.117 4.859) 5.484 19.940 ( -5.350 0.545 2.159) 5.794 19.985 ( -5.658 -1.251 3.117) 6.580 20.145 ( -0.864 1.370 3.099) 3.497 20.190 ( 2.142 1.180 -2.597) 3.567 20.254 ( 0.833 -0.647 -1.104) 1.527 20.316 ( 4.735 -1.718 -3.947) 6.399 ======================= Grid point 139 (78/87) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -4.677 1.086 9.169) 10.350 0.724 ( 0.925 -1.572 -0.650) 1.936 0.744 ( -0.252 5.474 2.724) 6.119 0.851 ( -0.150 -3.683 0.392) 3.707 0.930 ( 2.324 5.664 1.633) 6.336 0.959 ( 0.349 -1.490 -1.912) 2.449 1.016 ( -0.081 -2.840 -1.656) 3.288 1.039 ( 0.716 0.808 1.128) 1.561 1.090 ( -1.428 4.016 -0.339) 4.276 1.164 ( 0.744 0.510 0.803) 1.207 1.222 ( -1.770 -2.280 0.537) 2.936 1.265 ( -1.158 0.498 -2.811) 3.080 1.302 ( -1.152 -2.248 0.485) 2.572 1.362 ( -0.885 2.736 0.185) 2.882 1.373 ( -2.341 -0.422 -1.541) 2.834 1.415 ( -2.058 2.616 -0.869) 3.440 1.431 ( -1.396 -2.630 4.927) 5.757 1.502 ( -1.991 -1.672 -0.931) 2.761 1.533 ( -1.293 -0.897 1.244) 2.006 1.616 ( -0.040 -4.486 4.459) 6.325 1.734 ( -0.630 1.198 0.215) 1.371 1.745 ( 1.092 4.036 -4.050) 5.821 1.868 ( -0.977 -2.377 -0.368) 2.596 1.937 ( -1.190 -5.363 1.441) 5.680 2.013 ( 2.977 2.000 -1.829) 4.026 2.125 ( 0.134 -2.628 -1.913) 3.253 2.180 ( 1.438 -3.420 0.637) 3.764 2.274 ( -1.248 -0.697 3.122) 3.434 2.414 ( -0.620 -3.840 0.413) 3.911 2.444 ( -2.897 -2.372 0.970) 3.868 2.849 ( -2.763 6.808 2.345) 7.713 3.003 ( -0.387 1.440 -2.736) 3.116 3.218 ( -1.794 -1.419 6.188) 6.597 3.328 ( 2.638 -4.597 -2.006) 5.667 3.438 ( -2.462 2.324 6.119) 6.993 3.530 ( 4.101 0.512 -6.693) 7.866 3.665 ( -0.611 3.488 3.916) 5.279 3.729 ( -0.750 1.970 1.709) 2.714 3.780 ( 1.721 -1.576 -4.564) 5.126 3.841 ( 3.274 0.177 -4.094) 5.245 4.081 ( 0.146 9.351 1.485) 9.469 4.145 ( 1.154 10.426 0.329) 10.495 4.466 ( -3.887 -14.368 8.327) 17.056 4.598 ( 3.400 -11.270 -6.598) 13.495 4.893 ( -0.882 -3.709 3.931) 5.476 4.966 ( 1.683 -7.051 -3.205) 7.926 5.247 ( -0.051 7.036 -0.623) 7.064 5.307 ( 1.006 4.101 -1.527) 4.490 5.446 ( -1.738 0.447 2.253) 2.880 5.509 ( -0.103 0.052 0.565) 0.577 5.630 ( -2.090 2.492 2.228) 3.942 5.723 ( 0.603 -0.852 -6.525) 6.608 5.870 ( 0.620 1.840 0.419) 1.986 5.982 ( 1.952 -7.075 -5.510) 9.178 6.661 ( 0.354 7.416 -0.825) 7.470 6.719 ( -0.172 5.830 2.008) 6.168 6.856 ( 1.298 1.494 -1.696) 2.607 6.867 ( -2.192 1.067 2.123) 3.233 7.067 ( 1.062 -2.696 -0.761) 2.996 7.083 ( 0.690 -1.523 -0.983) 1.939 7.316 ( 0.517 4.677 1.863) 5.060 7.462 ( 4.746 6.923 -4.935) 9.737 7.983 ( 0.091 -8.126 3.155) 8.717 8.053 ( 3.766 -7.374 -1.271) 8.377 8.627 ( 0.867 14.935 2.248) 15.128 8.738 ( 3.925 10.018 -6.337) 12.487 9.208 ( -3.109 -2.264 4.250) 5.732 9.341 ( -4.601 -3.568 11.418) 12.817 9.394 ( -1.961 3.290 6.802) 7.806 9.467 ( 3.468 -5.642 -9.215) 11.348 9.637 ( 5.897 0.017 0.289) 5.904 9.742 ( 7.161 1.414 -11.124) 13.305 9.894 ( -0.596 11.029 0.112) 11.045 9.956 ( 2.267 10.490 -7.898) 13.325 10.299 ( -1.022 -7.123 1.833) 7.426 10.433 ( 0.838 -5.498 2.504) 6.100 11.018 ( 3.794 0.242 6.737) 7.736 11.184 ( 4.850 -1.586 2.301) 5.597 11.238 ( -0.152 -7.828 7.142) 10.597 11.311 ( -0.594 3.094 1.664) 3.563 11.442 ( 2.232 -2.925 -1.963) 4.171 11.556 ( 1.524 1.592 -4.332) 4.861 11.777 ( -0.442 0.869 0.908) 1.332 11.929 ( 1.433 1.340 -3.498) 4.010 12.990 ( -2.978 -5.788 2.328) 6.913 13.139 ( 3.106 -11.083 -4.183) 12.246 14.351 ( -3.380 0.300 5.168) 6.183 14.395 ( -1.691 -1.145 2.475) 3.209 14.406 ( -0.256 1.538 -0.558) 1.656 14.467 ( 0.777 -1.097 -3.593) 3.836 15.033 ( 2.990 8.910 -7.211) 11.845 15.106 ( 2.913 7.226 -6.442) 10.110 16.152 ( 0.289 4.842 -2.539) 5.475 16.207 ( -0.239 5.462 -2.083) 5.851 16.555 ( 1.463 -6.823 2.339) 7.359 16.668 ( 6.440 -7.880 -3.885) 10.893 17.799 ( -0.561 3.719 -0.134) 3.764 17.949 ( 0.920 -1.523 -2.916) 3.416 18.172 ( 0.345 0.589 -0.090) 0.688 18.235 ( 1.045 -2.092 1.491) 2.774 18.850 ( 2.830 1.790 -1.174) 3.548 18.995 ( 8.132 -3.917 6.655) 11.215 19.805 ( -10.475 -0.526 -2.782) 10.851 19.867 ( -9.932 -2.296 2.515) 10.499 20.157 ( -1.467 2.373 5.441) 6.115 20.236 ( 4.950 2.847 -3.061) 6.479 20.270 ( 0.446 -0.673 3.270) 3.368 20.379 ( 5.838 -2.025 -3.954) 7.336 ======================= Grid point 140 (79/87) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -1.959 -0.357 12.012) 12.176 0.725 ( -2.792 -1.749 4.855) 5.867 0.777 ( 2.481 2.633 -0.226) 3.625 0.871 ( 3.126 -1.180 -2.868) 4.403 0.949 ( 0.123 -1.411 -0.488) 1.498 0.979 ( 0.369 2.897 0.011) 2.920 1.001 ( -0.056 -3.515 -0.972) 3.647 1.048 ( -0.366 1.528 -1.443) 2.133 1.067 ( -0.111 -0.458 1.549) 1.619 1.160 ( -2.154 0.700 1.277) 2.600 1.185 ( -1.795 -3.128 -0.969) 3.734 1.225 ( -0.752 1.010 -2.579) 2.870 1.287 ( -1.538 0.075 1.056) 1.867 1.307 ( -1.347 2.075 -2.533) 3.540 1.364 ( -1.336 3.586 2.522) 4.583 1.390 ( 1.253 0.817 -1.581) 2.177 1.432 ( -2.893 -2.436 4.377) 5.785 1.470 ( 0.396 -1.896 -3.399) 3.912 1.540 ( -0.854 -0.503 4.113) 4.231 1.634 ( -0.613 -4.052 1.078) 4.237 1.726 ( 1.096 1.841 -1.261) 2.486 1.766 ( 2.271 3.027 -0.733) 3.855 1.830 ( -3.150 -2.935 2.238) 4.852 1.941 ( 1.474 -4.712 -2.009) 5.330 2.046 ( 2.088 1.780 -1.661) 3.207 2.098 ( -1.529 -2.604 -2.007) 3.626 2.213 ( 0.889 -2.300 2.551) 3.548 2.274 ( -1.483 -2.396 3.278) 4.323 2.405 ( -2.031 -1.581 1.157) 2.822 2.419 ( 1.135 -4.422 -0.802) 4.635 2.838 ( -0.798 7.297 2.631) 7.798 2.963 ( -1.423 3.002 -2.978) 4.461 3.238 ( -2.122 -0.988 7.058) 7.436 3.354 ( 2.259 -2.722 -2.601) 4.391 3.442 ( -3.133 2.485 7.279) 8.305 3.558 ( 5.009 0.767 -6.659) 8.367 3.694 ( -0.125 3.118 4.086) 5.141 3.733 ( -0.700 0.775 2.282) 2.510 3.781 ( 2.414 -1.881 -4.418) 5.375 3.856 ( 2.753 0.014 -5.532) 6.179 4.106 ( 1.485 9.374 1.133) 9.558 4.160 ( 0.092 9.839 0.416) 9.848 4.463 ( -4.359 -14.255 8.900) 17.361 4.609 ( 3.989 -11.767 -6.976) 14.249 4.903 ( -0.639 -2.239 2.201) 3.204 4.968 ( 1.028 -5.855 -2.710) 6.533 5.240 ( -0.187 6.297 -0.375) 6.311 5.299 ( -0.144 3.803 -2.516) 4.562 5.443 ( -0.871 -0.209 3.220) 3.342 5.510 ( -0.823 -0.978 1.932) 2.317 5.599 ( -2.434 0.219 0.749) 2.556 5.684 ( 1.053 -2.202 -6.159) 6.625 5.883 ( -0.410 1.842 1.563) 2.450 5.974 ( 2.502 -4.545 -5.860) 7.826 6.668 ( 0.399 7.708 0.591) 7.741 6.720 ( -0.734 5.684 0.594) 5.762 6.845 ( -2.563 2.285 3.294) 4.758 6.872 ( 2.128 1.816 -2.253) 3.592 7.076 ( 0.766 -1.420 -1.231) 2.029 7.081 ( -0.079 -1.895 -0.827) 2.069 7.347 ( 0.390 4.424 3.340) 5.557 7.488 ( 3.309 5.622 -6.163) 8.974 8.008 ( -0.471 -8.068 3.824) 8.941 8.094 ( 2.458 -7.931 -2.613) 8.704 8.650 ( -0.151 15.298 1.498) 15.372 8.745 ( 2.893 10.298 -6.757) 12.652 9.207 ( -0.935 -0.867 4.325) 4.509 9.349 ( -5.467 -4.305 12.524) 14.327 9.391 ( -1.959 3.513 -0.045) 4.022 9.455 ( 1.398 -3.671 -3.227) 5.083 9.732 ( 4.814 -2.636 -2.352) 5.972 9.771 ( 3.915 3.899 -5.476) 7.779 9.881 ( 1.990 8.541 -6.128) 10.698 9.938 ( 2.328 8.056 -6.823) 10.811 10.317 ( 0.550 -10.427 3.829) 11.121 10.449 ( -0.538 -7.935 0.705) 7.984 11.163 ( 6.292 1.191 4.559) 7.861 11.236 ( -3.622 -2.661 7.893) 9.082 11.296 ( 2.718 2.791 1.579) 4.204 11.364 ( 4.019 1.004 4.127) 5.848 11.470 ( 3.454 -3.268 -4.584) 6.605 11.553 ( 1.645 2.819 -3.209) 4.577 11.775 ( -0.633 0.396 0.398) 0.846 11.893 ( -2.337 1.513 -3.431) 4.418 12.973 ( -1.627 -6.374 3.844) 7.619 13.148 ( 2.891 -12.479 -7.197) 14.693 14.338 ( -2.376 -0.086 4.519) 5.106 14.382 ( -1.655 -1.474 2.189) 3.115 14.404 ( 0.827 1.717 -1.337) 2.328 14.456 ( 1.036 0.089 -3.444) 3.597 15.023 ( 0.612 8.009 -4.041) 8.991 15.075 ( 0.016 7.896 -6.308) 10.106 16.134 ( 0.654 4.447 -3.708) 5.827 16.165 ( -2.458 5.820 -1.626) 6.524 16.604 ( 0.491 -6.117 4.361) 7.529 16.735 ( 5.712 -8.099 -6.586) 11.900 17.803 ( 0.625 3.634 0.815) 3.777 17.919 ( -1.069 -0.405 -3.597) 3.774 18.185 ( 0.856 0.590 0.388) 1.110 18.239 ( -0.754 -1.401 -0.436) 1.649 18.922 ( 6.083 2.179 0.050) 6.461 19.194 ( 7.767 -9.546 1.059) 12.353 19.555 ( -13.172 1.876 -1.201) 13.359 19.700 ( -10.410 -3.643 1.639) 11.150 20.177 ( -2.320 4.041 7.155) 8.538 20.274 ( 3.570 4.075 -5.112) 7.449 20.336 ( 1.889 -1.409 5.614) 6.088 20.444 ( 4.754 -2.105 -3.962) 6.536 ======================= Grid point 141 (80/87) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -1.725 -2.185 9.495) 9.895 0.676 ( -1.725 2.185 9.495) 9.895 0.810 ( -3.001 -3.113 -1.934) 4.737 0.810 ( -3.001 3.113 -1.934) 4.737 0.911 ( 1.689 -2.919 -2.122) 3.985 0.911 ( 1.689 2.919 -2.122) 3.985 1.018 ( -0.277 -1.212 -1.948) 2.311 1.018 ( -0.277 1.212 -1.948) 2.311 1.085 ( -1.097 -0.064 2.027) 2.306 1.085 ( -1.097 0.064 2.027) 2.306 1.246 ( 0.711 -0.544 -0.940) 1.298 1.246 ( 0.711 0.544 -0.940) 1.298 1.288 ( -0.118 -2.582 -0.377) 2.612 1.288 ( -0.118 2.582 -0.377) 2.612 1.374 ( 1.685 -2.323 -1.178) 3.101 1.374 ( 1.685 2.323 -1.178) 3.101 1.477 ( 0.279 -2.652 0.989) 2.844 1.477 ( 0.279 2.652 0.989) 2.844 1.528 ( -1.111 -2.052 1.553) 2.803 1.528 ( -1.111 2.052 1.553) 2.803 1.764 ( -0.487 -0.708 1.506) 1.734 1.764 ( -0.487 0.708 1.506) 1.734 1.859 ( 1.276 -2.163 -2.843) 3.793 1.859 ( 1.276 2.163 -2.843) 3.793 2.073 ( -0.835 -0.545 0.536) 1.132 2.073 ( -0.835 0.545 0.536) 1.132 2.234 ( 0.627 -0.723 0.846) 1.277 2.234 ( 0.627 0.723 0.846) 1.277 2.366 ( 1.020 -0.677 -0.250) 1.250 2.366 ( 1.020 0.677 -0.250) 1.250 2.952 ( -0.846 -1.742 1.149) 2.252 2.952 ( -0.846 1.742 1.149) 2.252 3.286 ( -2.101 -3.464 4.827) 6.302 3.286 ( -2.101 3.464 4.827) 6.302 3.553 ( 1.013 -5.067 -1.320) 5.334 3.553 ( 1.013 5.067 -1.320) 5.334 3.727 ( 1.176 -1.983 -2.477) 3.384 3.727 ( 1.176 1.983 -2.477) 3.384 3.851 ( -0.372 -5.641 1.846) 5.947 3.851 ( -0.372 5.641 1.846) 5.947 4.221 ( -0.413 -2.420 0.044) 2.456 4.221 ( -0.413 2.420 0.044) 2.456 4.408 ( 1.122 -6.029 -2.496) 6.621 4.408 ( 1.122 6.029 -2.496) 6.621 4.875 ( 0.769 -1.747 -0.769) 2.057 4.875 ( 0.769 1.747 -0.769) 2.057 5.310 ( -1.839 -0.681 0.715) 2.087 5.310 ( -1.839 0.681 0.715) 2.087 5.484 ( 0.128 -1.657 4.149) 4.469 5.484 ( 0.128 1.657 4.149) 4.469 5.590 ( 0.908 -2.507 -6.286) 6.828 5.590 ( 0.908 2.507 -6.286) 6.828 5.911 ( 1.134 -2.527 -2.269) 3.580 5.911 ( 1.134 2.527 -2.269) 3.580 6.834 ( -1.980 -5.910 3.355) 7.078 6.834 ( -1.980 5.910 3.355) 7.078 6.904 ( 1.567 -6.807 -1.797) 7.213 6.904 ( 1.567 6.807 -1.797) 7.213 6.965 ( -0.153 -2.434 -0.213) 2.448 6.965 ( -0.153 2.434 -0.213) 2.448 7.542 ( 0.189 -3.833 -0.571) 3.880 7.542 ( 0.189 3.833 -0.571) 3.880 7.934 ( -0.053 -3.212 -0.555) 3.260 7.934 ( -0.053 3.212 -0.555) 3.260 8.856 ( -0.473 -2.145 -0.793) 2.336 8.856 ( -0.473 2.145 -0.793) 2.336 9.263 ( -0.738 -4.204 3.071) 5.258 9.263 ( -0.738 4.204 3.071) 5.258 9.443 ( -2.886 -4.400 7.168) 8.893 9.443 ( -2.886 4.400 7.168) 8.893 9.731 ( 3.237 -3.706 -10.045) 11.186 9.731 ( 3.237 3.706 -10.045) 11.186 10.071 ( -2.374 -12.381 4.912) 13.530 10.071 ( -2.374 12.381 4.912) 13.530 10.189 ( 2.963 -13.051 -7.407) 15.296 10.189 ( 2.963 13.051 -7.407) 15.296 11.237 ( -2.883 -2.786 9.137) 9.978 11.237 ( -2.883 2.786 9.137) 9.978 11.411 ( 4.611 -2.521 -7.415) 9.088 11.411 ( 4.611 2.521 -7.415) 9.088 11.576 ( 1.304 -3.978 1.877) 4.588 11.576 ( 1.304 3.978 1.877) 4.588 11.775 ( -3.058 -2.800 -1.388) 4.372 11.775 ( -3.058 2.800 -1.388) 4.372 12.932 ( 0.941 -3.525 -2.410) 4.373 12.932 ( 0.941 3.525 -2.410) 4.373 14.350 ( -0.378 -0.972 1.925) 2.189 14.350 ( -0.378 0.972 1.925) 2.189 14.445 ( 1.252 -0.962 -2.145) 2.664 14.445 ( 1.252 0.962 -2.145) 2.664 15.107 ( -1.456 -2.263 -1.553) 3.107 15.107 ( -1.456 2.263 -1.553) 3.107 16.200 ( -1.791 -2.255 -0.275) 2.893 16.200 ( -1.791 2.255 -0.275) 2.893 16.579 ( 0.525 -4.881 -1.724) 5.203 16.579 ( 0.525 4.881 -1.724) 5.203 17.873 ( -0.608 -1.337 0.228) 1.486 17.873 ( -0.608 1.337 0.228) 1.486 18.207 ( -0.050 -0.264 0.218) 0.346 18.207 ( -0.050 0.264 0.218) 0.346 19.062 ( -2.110 -1.308 1.674) 2.994 19.062 ( -2.110 1.308 1.674) 2.994 19.512 ( 0.706 -1.202 0.313) 1.429 19.512 ( 0.706 1.202 0.313) 1.429 20.282 ( -2.091 -3.584 4.750) 6.307 20.282 ( -2.091 3.584 4.750) 6.307 20.417 ( 2.307 -2.932 -3.684) 5.244 20.417 ( 2.307 2.932 -3.684) 5.244 ======================= Grid point 143 (81/87) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -2.376 -3.023 6.100) 7.210 0.713 ( -2.376 3.023 6.100) 7.210 0.767 ( -0.988 -3.634 2.269) 4.397 0.767 ( -0.988 3.634 2.269) 4.397 0.900 ( 0.400 -4.109 -3.611) 5.485 0.900 ( 0.400 4.109 -3.611) 5.485 1.024 ( -0.347 -1.646 2.100) 2.691 1.024 ( -0.347 1.646 2.100) 2.691 1.089 ( 0.883 -2.204 1.098) 2.615 1.089 ( 0.883 2.204 1.098) 2.615 1.247 ( 0.295 -2.642 -0.936) 2.818 1.247 ( 0.295 2.642 -0.936) 2.818 1.281 ( -0.464 -3.568 0.042) 3.599 1.281 ( -0.464 3.568 0.042) 3.599 1.398 ( 1.613 -2.699 -1.898) 3.673 1.398 ( 1.613 2.699 -1.898) 3.673 1.474 ( -0.588 -3.990 -0.068) 4.034 1.474 ( -0.588 3.990 -0.068) 4.034 1.566 ( 4.187 -3.418 1.354) 5.572 1.566 ( 4.187 3.418 1.354) 5.572 1.765 ( -0.493 -2.194 0.906) 2.424 1.765 ( -0.493 2.194 0.906) 2.424 1.845 ( -0.191 -0.815 -2.758) 2.882 1.845 ( -0.191 0.815 -2.758) 2.882 2.066 ( -0.977 -1.533 1.096) 2.123 2.066 ( -0.977 1.533 1.096) 2.123 2.247 ( 0.846 -2.206 -0.960) 2.550 2.247 ( 0.846 2.206 -0.960) 2.550 2.386 ( 2.061 -1.292 -1.620) 2.923 2.386 ( 2.061 1.292 -1.620) 2.923 2.949 ( -0.726 -0.700 1.750) 2.020 2.949 ( -0.726 0.700 1.750) 2.020 3.274 ( -3.431 -2.577 4.530) 6.240 3.274 ( -3.431 2.577 4.530) 6.240 3.545 ( -0.130 -5.606 -2.290) 6.057 3.545 ( -0.130 5.606 -2.290) 6.057 3.724 ( 0.818 -2.101 -2.359) 3.263 3.724 ( 0.818 2.101 -2.359) 3.263 3.852 ( -0.885 -4.943 1.088) 5.139 3.852 ( -0.885 4.943 1.088) 5.139 4.212 ( -0.900 -2.137 0.742) 2.434 4.212 ( -0.900 2.137 0.742) 2.434 4.404 ( 0.684 -7.129 -2.318) 7.527 4.404 ( 0.684 7.129 -2.318) 7.527 4.878 ( 0.599 -2.935 -1.531) 3.364 4.878 ( 0.599 2.935 -1.531) 3.364 5.293 ( -1.691 -0.677 2.854) 3.386 5.293 ( -1.691 0.677 2.854) 3.386 5.505 ( -1.051 -1.007 1.480) 2.076 5.505 ( -1.051 1.007 1.480) 2.076 5.590 ( 3.892 -2.118 -2.915) 5.304 5.590 ( 3.892 2.118 -2.915) 5.304 5.908 ( 0.651 -3.366 -2.449) 4.213 5.908 ( 0.651 3.366 -2.449) 4.213 6.827 ( -1.874 -8.016 3.275) 8.860 6.827 ( -1.874 8.016 3.275) 8.860 6.912 ( 1.112 -3.920 -2.218) 4.639 6.912 ( 1.112 3.920 -2.218) 4.639 6.959 ( -0.358 -3.485 0.030) 3.503 6.959 ( -0.358 3.485 0.030) 3.503 7.530 ( -0.965 -0.728 -0.579) 1.340 7.530 ( -0.965 0.728 -0.579) 1.340 7.922 ( -1.081 -2.617 0.028) 2.831 7.922 ( -1.081 2.617 0.028) 2.831 8.829 ( -2.346 -2.118 0.720) 3.241 8.829 ( -2.346 2.118 0.720) 3.241 9.279 ( -0.296 -2.909 2.828) 4.068 9.279 ( -0.296 2.909 2.828) 4.068 9.431 ( -4.279 -5.891 5.752) 9.279 9.431 ( -4.279 5.891 5.752) 9.279 9.703 ( 1.718 -2.299 -7.814) 8.325 9.703 ( 1.718 2.299 -7.814) 8.325 10.074 ( -2.004 -12.328 5.270) 13.556 10.074 ( -2.004 12.328 5.270) 13.556 10.197 ( 4.244 -11.361 -6.502) 13.761 10.197 ( 4.244 11.361 -6.502) 13.761 11.224 ( -5.794 -5.518 6.774) 10.484 11.224 ( -5.794 5.518 6.774) 10.484 11.373 ( -2.639 -1.315 -8.142) 8.659 11.373 ( -2.639 1.315 -8.142) 8.659 11.550 ( -1.510 -4.197 -1.221) 4.624 11.550 ( -1.510 4.197 -1.221) 4.624 11.787 ( 1.770 -4.452 3.200) 5.761 11.787 ( 1.770 4.452 3.200) 5.761 12.935 ( 1.315 -1.310 -1.683) 2.506 12.935 ( 1.315 1.310 -1.683) 2.506 14.361 ( -0.094 -0.878 1.730) 1.942 14.361 ( -0.094 0.878 1.730) 1.942 14.454 ( 2.143 -0.675 -3.091) 3.821 14.454 ( 2.143 0.675 -3.091) 3.821 15.081 ( -1.655 -4.123 2.018) 4.880 15.081 ( -1.655 4.123 2.018) 4.880 16.177 ( -1.976 -4.746 3.141) 6.024 16.177 ( -1.976 4.746 3.141) 6.024 16.550 ( -2.282 -6.370 -1.149) 6.863 16.550 ( -2.282 6.370 -1.149) 6.863 17.867 ( -0.689 -1.704 1.063) 2.123 17.867 ( -0.689 1.704 1.063) 2.123 18.211 ( 0.361 -1.210 0.048) 1.264 18.211 ( 0.361 1.210 0.048) 1.264 18.989 ( -6.743 -6.314 2.885) 9.678 18.989 ( -6.743 6.314 2.885) 9.678 19.627 ( 10.347 -4.212 -0.206) 11.173 19.627 ( 10.347 4.212 -0.206) 11.173 20.268 ( -3.585 -3.587 4.332) 6.670 20.268 ( -3.585 3.587 4.332) 6.670 20.398 ( -0.545 -2.180 -4.716) 5.224 20.398 ( -0.545 2.180 -4.716) 5.224 ======================= Grid point 145 (82/87) ======================= q-point: ( 0.25 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.895 -3.886 1.184) 4.160 0.703 ( -0.895 3.886 1.184) 4.160 0.789 ( -0.614 -1.925 3.851) 4.348 0.789 ( -0.614 1.925 3.851) 4.348 0.890 ( 1.274 -4.091 -2.087) 4.766 0.890 ( 1.274 4.091 -2.087) 4.766 1.032 ( -1.138 -5.278 4.048) 6.748 1.032 ( -1.138 5.278 4.048) 6.748 1.124 ( 1.387 -1.626 0.826) 2.291 1.124 ( 1.387 1.626 0.826) 2.291 1.238 ( -0.690 -4.567 -0.363) 4.633 1.238 ( -0.690 4.567 -0.363) 4.633 1.281 ( 0.521 -2.611 0.329) 2.683 1.281 ( 0.521 2.611 0.329) 2.683 1.399 ( -0.139 -1.061 0.028) 1.070 1.399 ( -0.139 1.061 0.028) 1.070 1.469 ( 0.153 -2.134 -0.220) 2.151 1.469 ( 0.153 2.134 -0.220) 2.151 1.662 ( 6.197 -2.941 -2.852) 7.429 1.662 ( 6.197 2.941 -2.852) 7.429 1.759 ( -1.232 -3.888 1.275) 4.273 1.759 ( -1.232 3.888 1.275) 4.273 1.825 ( 0.862 -2.410 -1.911) 3.194 1.825 ( 0.862 2.410 -1.911) 3.194 2.048 ( -2.123 -2.071 0.835) 3.081 2.048 ( -2.123 2.071 0.835) 3.081 2.249 ( 0.963 -4.147 -2.266) 4.823 2.249 ( 0.963 4.147 -2.266) 4.823 2.410 ( 2.140 -2.009 -1.918) 3.506 2.410 ( 2.140 2.009 -1.918) 3.506 2.956 ( -0.204 -1.919 2.314) 3.013 2.956 ( -0.204 1.919 2.314) 3.013 3.243 ( -3.810 -1.982 3.821) 5.749 3.243 ( -3.810 1.982 3.821) 5.749 3.520 ( -0.390 -5.536 -2.494) 6.085 3.520 ( -0.390 5.536 -2.494) 6.085 3.722 ( 1.138 -2.361 -1.935) 3.258 3.722 ( 1.138 2.361 -1.935) 3.258 3.842 ( -0.626 -4.568 0.028) 4.611 3.842 ( -0.626 4.568 0.028) 4.611 4.204 ( -1.176 -1.682 1.995) 2.862 4.204 ( -1.176 1.682 1.995) 2.862 4.397 ( 0.591 -8.001 -2.082) 8.288 4.397 ( 0.591 8.001 -2.082) 8.288 4.867 ( 0.006 -4.070 -2.778) 4.927 4.867 ( 0.006 4.070 -2.778) 4.927 5.295 ( -1.398 -0.819 4.232) 4.532 5.295 ( -1.398 0.819 4.232) 4.532 5.488 ( -1.206 -1.443 0.622) 1.980 5.488 ( -1.206 1.443 0.622) 1.980 5.654 ( 4.185 -2.112 -0.742) 4.746 5.654 ( 4.185 2.112 -0.742) 4.746 5.898 ( 0.609 -3.722 -2.586) 4.573 5.898 ( 0.609 3.722 -2.586) 4.573 6.822 ( -1.534 -9.287 2.923) 9.857 6.822 ( -1.534 9.287 2.923) 9.857 6.908 ( 0.445 -2.818 -2.108) 3.547 6.908 ( 0.445 2.818 -2.108) 3.547 6.952 ( -0.278 -5.860 -0.551) 5.892 6.952 ( -0.278 5.860 -0.551) 5.892 7.504 ( -1.305 -2.288 -0.727) 2.732 7.504 ( -1.305 2.288 -0.727) 2.732 7.897 ( -1.810 -3.345 0.321) 3.817 7.897 ( -1.810 3.345 0.321) 3.817 8.796 ( -2.616 -2.248 2.369) 4.185 8.796 ( -2.616 2.248 2.369) 4.185 9.291 ( -1.755 -3.843 4.070) 5.867 9.291 ( -1.755 3.843 4.070) 5.867 9.402 ( -2.085 -7.079 2.161) 7.690 9.402 ( -2.085 7.079 2.161) 7.690 9.662 ( -0.112 -1.685 -6.106) 6.335 9.662 ( -0.112 1.685 -6.106) 6.335 10.087 ( -1.606 -11.076 5.895) 12.649 10.087 ( -1.606 11.076 5.895) 12.649 10.229 ( 4.723 -10.115 -5.567) 12.474 10.229 ( 4.723 10.115 -5.567) 12.474 11.146 ( -8.346 -5.567 5.301) 11.347 11.146 ( -8.346 5.567 5.301) 11.347 11.229 ( -5.580 -5.063 -5.605) 9.391 11.229 ( -5.580 5.063 -5.605) 9.391 11.549 ( 2.473 -3.798 -2.739) 5.295 11.549 ( 2.473 3.798 -2.739) 5.295 11.826 ( -0.228 -5.227 2.355) 5.738 11.826 ( -0.228 5.227 2.355) 5.738 12.952 ( 1.678 -0.823 -0.736) 2.009 12.952 ( 1.678 0.823 -0.736) 2.009 14.373 ( -0.588 -0.711 2.656) 2.812 14.373 ( -0.588 0.711 2.656) 2.812 14.467 ( 2.480 -1.329 -3.943) 4.844 14.467 ( 2.480 1.329 -3.943) 4.844 15.080 ( -0.799 -4.581 2.852) 5.455 15.080 ( -0.799 4.581 2.852) 5.455 16.183 ( -1.358 -6.010 5.626) 8.344 16.183 ( -1.358 6.010 5.626) 8.344 16.491 ( -3.330 -7.585 -0.945) 8.338 16.491 ( -3.330 7.585 -0.945) 8.338 17.865 ( -0.702 -2.925 1.601) 3.407 17.865 ( -0.702 2.925 1.601) 3.407 18.214 ( 0.048 -1.980 -0.615) 2.074 18.214 ( 0.048 1.980 -0.615) 2.074 18.903 ( -5.024 -6.516 1.971) 8.460 18.903 ( -5.024 6.516 1.971) 8.460 19.817 ( 10.145 -3.743 0.794) 10.843 19.817 ( 10.145 3.743 0.794) 10.843 20.230 ( -4.473 -3.757 4.089) 7.130 20.230 ( -4.473 3.757 4.089) 7.130 20.336 ( -1.312 -1.926 -5.740) 6.195 20.336 ( -1.312 1.926 -5.740) 6.195 ======================= Grid point 147 (83/87) ======================= q-point: ( 0.38 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.091 -4.505 1.597) 4.780 0.709 ( 0.091 4.505 1.597) 4.780 0.801 ( 0.653 -2.463 -0.475) 2.592 0.801 ( 0.653 2.463 -0.475) 2.592 0.908 ( 0.877 -3.901 1.679) 4.336 0.908 ( 0.877 3.901 1.679) 4.336 1.037 ( -1.897 -5.374 2.338) 6.160 1.037 ( -1.897 5.374 2.338) 6.160 1.143 ( 0.477 -1.825 0.682) 2.005 1.143 ( 0.477 1.825 0.682) 2.005 1.222 ( -0.714 -5.134 -0.188) 5.186 1.222 ( -0.714 5.134 -0.188) 5.186 1.302 ( 1.070 -2.150 0.951) 2.583 1.302 ( 1.070 2.150 0.951) 2.583 1.406 ( 0.030 -2.859 2.105) 3.550 1.406 ( 0.030 2.859 2.105) 3.550 1.471 ( -0.084 -0.616 0.048) 0.624 1.471 ( -0.084 0.616 0.048) 0.624 1.682 ( 0.898 -1.672 -7.476) 7.713 1.682 ( 0.898 1.672 -7.476) 7.713 1.769 ( -0.504 -4.932 5.130) 7.134 1.769 ( -0.504 4.932 5.130) 7.134 1.860 ( 4.694 -4.425 -2.777) 7.023 1.860 ( 4.694 4.425 -2.777) 7.023 2.004 ( -3.033 -2.995 -0.189) 4.266 2.004 ( -3.033 2.995 -0.189) 4.266 2.255 ( 1.575 -4.885 -1.417) 5.324 2.255 ( 1.575 4.885 -1.417) 5.324 2.419 ( 0.305 -3.483 -1.834) 3.948 2.419 ( 0.305 3.483 -1.834) 3.948 2.981 ( 0.703 -1.278 2.631) 3.008 2.981 ( 0.703 1.278 2.631) 3.008 3.207 ( -3.274 -2.098 2.933) 4.871 3.207 ( -3.274 2.098 2.933) 4.871 3.496 ( -0.114 -4.835 -2.113) 5.278 3.496 ( -0.114 4.835 -2.113) 5.278 3.734 ( 1.421 -2.583 -1.158) 3.168 3.734 ( 1.421 2.583 -1.158) 3.168 3.833 ( -0.175 -4.359 -0.408) 4.382 3.833 ( -0.175 4.359 -0.408) 4.382 4.201 ( -1.313 -2.322 2.497) 3.654 4.201 ( -1.313 2.322 2.497) 3.654 4.393 ( 0.667 -8.087 -1.790) 8.309 4.393 ( 0.667 8.087 -1.790) 8.309 4.838 ( -0.281 -4.597 -3.450) 5.754 4.838 ( -0.281 4.597 -3.450) 5.754 5.311 ( -0.659 -0.507 4.262) 4.342 5.311 ( -0.659 0.507 4.262) 4.342 5.481 ( -0.897 -0.972 2.181) 2.551 5.481 ( -0.897 0.972 2.181) 2.551 5.705 ( 2.761 -2.404 -2.193) 4.268 5.705 ( 2.761 2.404 -2.193) 4.268 5.892 ( 0.858 -3.873 -2.071) 4.475 5.892 ( 0.858 3.873 -2.071) 4.475 6.822 ( -0.864 -9.255 2.645) 9.665 6.822 ( -0.864 9.255 2.645) 9.665 6.894 ( -0.190 -4.973 -1.816) 5.297 6.894 ( -0.190 4.973 -1.816) 5.297 6.942 ( 0.054 -5.301 -1.188) 5.433 6.942 ( 0.054 5.301 -1.188) 5.433 7.478 ( -0.734 -2.209 -0.928) 2.506 7.478 ( -0.734 2.209 -0.928) 2.506 7.869 ( -1.484 -2.940 0.238) 3.302 7.869 ( -1.484 2.940 0.238) 3.302 8.780 ( -1.436 -1.847 2.737) 3.601 8.780 ( -1.436 1.847 2.737) 3.601 9.282 ( -3.482 -5.290 5.789) 8.580 9.282 ( -3.482 5.290 5.789) 8.580 9.402 ( 0.794 -5.466 0.242) 5.528 9.402 ( 0.794 5.466 0.242) 5.528 9.607 ( -0.191 -2.981 -6.356) 7.023 9.607 ( -0.191 2.981 -6.356) 7.023 10.110 ( -1.503 -10.262 6.528) 12.255 10.110 ( -1.503 10.262 6.528) 12.255 10.262 ( 3.862 -8.389 -5.615) 10.808 10.262 ( 3.862 8.389 -5.615) 10.808 11.039 ( -8.615 -2.962 6.529) 11.208 11.039 ( -8.615 2.962 6.529) 11.208 11.120 ( -1.545 -7.634 -5.666) 9.632 11.120 ( -1.545 7.634 -5.666) 9.632 11.573 ( 2.295 -1.836 -2.529) 3.877 11.573 ( 2.295 1.836 -2.529) 3.877 11.824 ( -1.094 -3.867 0.871) 4.112 11.824 ( -1.094 3.867 0.871) 4.112 12.976 ( 1.241 -0.720 -0.195) 1.448 12.976 ( 1.241 0.720 -0.195) 1.448 14.382 ( -1.269 -0.424 3.712) 3.946 14.382 ( -1.269 0.424 3.712) 3.946 14.475 ( 1.819 -1.849 -3.798) 4.599 14.475 ( 1.819 1.849 -3.798) 4.599 15.096 ( 0.959 -3.519 0.782) 3.730 15.096 ( 0.959 3.519 0.782) 3.730 16.217 ( -0.315 -6.323 6.426) 9.021 16.217 ( -0.315 6.323 6.426) 9.021 16.428 ( -2.523 -7.976 -1.400) 8.482 16.428 ( -2.523 7.976 -1.400) 8.482 17.866 ( -0.794 -2.802 1.777) 3.412 17.866 ( -0.794 2.802 1.777) 3.412 18.202 ( -0.456 -1.963 -1.326) 2.412 18.202 ( -0.456 1.963 -1.326) 2.412 18.850 ( -2.493 -3.889 1.272) 4.791 18.850 ( -2.493 3.889 1.272) 4.791 19.965 ( 4.971 -1.955 1.589) 5.573 19.965 ( 4.971 1.955 1.589) 5.573 20.188 ( -2.954 -3.688 2.755) 5.470 20.188 ( -2.954 3.688 2.755) 5.470 20.275 ( -0.356 -2.045 -5.170) 5.571 20.275 ( -0.356 2.045 -5.170) 5.571 ======================= Grid point 149 (84/87) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -2.037 -4.531 2.648) 5.629 0.714 ( -2.037 4.531 2.648) 5.629 0.803 ( 0.339 -1.907 -1.287) 2.326 0.803 ( 0.339 1.907 -1.287) 2.326 0.949 ( 1.301 -3.897 3.460) 5.371 0.949 ( 1.301 3.897 3.460) 5.371 1.007 ( -1.098 -2.832 -1.401) 3.345 1.007 ( -1.098 2.832 -1.401) 3.345 1.154 ( 0.041 -3.656 0.467) 3.686 1.154 ( 0.041 3.656 0.467) 3.686 1.217 ( 0.135 -3.008 0.159) 3.015 1.217 ( 0.135 3.008 0.159) 3.015 1.325 ( 0.683 -0.921 0.342) 1.197 1.325 ( 0.683 0.921 0.342) 1.197 1.429 ( -0.424 -4.025 3.440) 5.312 1.429 ( -0.424 4.025 3.440) 5.312 1.466 ( -0.348 -1.060 0.366) 1.174 1.466 ( -0.348 1.060 0.366) 1.174 1.622 ( -2.030 -1.764 -3.926) 4.758 1.622 ( -2.030 1.764 -3.926) 4.758 1.795 ( -0.659 -4.295 3.386) 5.509 1.795 ( -0.659 4.295 3.386) 5.509 1.899 ( 0.237 -1.608 -2.384) 2.886 1.899 ( 0.237 1.608 -2.384) 2.886 1.971 ( 2.380 -2.885 -2.341) 4.412 1.971 ( 2.380 2.885 -2.341) 4.412 2.271 ( 0.434 -1.739 -0.500) 1.861 2.271 ( 0.434 1.739 -0.500) 1.861 2.396 ( -1.270 -2.011 -0.537) 2.438 2.396 ( -1.270 2.011 -0.537) 2.438 3.010 ( 0.042 -1.014 1.798) 2.065 3.010 ( 0.042 1.014 1.798) 2.065 3.185 ( -1.591 -2.162 2.831) 3.902 3.185 ( -1.591 2.162 2.831) 3.902 3.484 ( 0.557 -3.894 -1.667) 4.272 3.484 ( 0.557 3.894 -1.667) 4.272 3.745 ( 0.509 -2.370 -0.858) 2.572 3.745 ( 0.509 2.370 -0.858) 2.572 3.829 ( -0.077 -3.922 -0.327) 3.936 3.829 ( -0.077 3.922 -0.327) 3.936 4.199 ( -1.049 -2.965 2.475) 4.003 4.199 ( -1.049 2.965 2.475) 4.003 4.392 ( 0.789 -7.747 -1.619) 7.953 4.392 ( 0.789 7.747 -1.619) 7.953 4.812 ( 0.362 -4.373 -2.671) 5.137 4.812 ( 0.362 4.373 -2.671) 5.137 5.335 ( 0.197 -0.500 2.456) 2.514 5.335 ( 0.197 0.500 2.456) 2.514 5.489 ( -0.881 -0.442 3.184) 3.333 5.489 ( -0.881 0.442 3.184) 3.333 5.718 ( 2.095 -3.263 -4.510) 5.948 5.718 ( 2.095 3.263 -4.510) 5.948 5.892 ( 0.418 -3.157 -1.122) 3.377 5.892 ( 0.418 3.157 -1.122) 3.377 6.834 ( -0.245 -8.024 2.719) 8.476 6.834 ( -0.245 8.024 2.719) 8.476 6.876 ( 0.009 -6.773 -2.092) 7.088 6.876 ( 0.009 6.773 -2.092) 7.088 6.935 ( -0.008 -4.367 -0.798) 4.440 6.935 ( -0.008 4.367 -0.798) 4.440 7.468 ( 0.684 -0.698 -1.202) 1.549 7.468 ( 0.684 0.698 -1.202) 1.549 7.857 ( 0.060 -1.864 0.079) 1.867 7.857 ( 0.060 1.864 0.079) 1.867 8.787 ( 0.015 -2.191 1.831) 2.855 8.787 ( 0.015 2.191 1.831) 2.855 9.269 ( -3.274 -6.224 5.941) 9.206 9.269 ( -3.274 6.224 5.941) 9.206 9.415 ( -0.396 -1.420 0.870) 1.711 9.415 ( -0.396 1.420 0.870) 1.711 9.578 ( 3.975 -5.649 -7.366) 10.098 9.578 ( 3.975 5.649 -7.366) 10.098 10.133 ( -2.060 -9.964 6.661) 12.161 10.133 ( -2.060 9.964 6.661) 12.161 10.270 ( 2.563 -7.813 -6.345) 10.386 10.270 ( 2.563 7.813 -6.345) 10.386 10.969 ( -5.541 -5.206 7.832) 10.915 10.969 ( -5.541 5.206 7.832) 10.915 11.090 ( 2.940 -7.401 -5.071) 9.441 11.090 ( 2.940 7.401 -5.071) 9.441 11.577 ( -0.184 -2.565 -1.361) 2.909 11.577 ( -0.184 2.565 -1.361) 2.909 11.819 ( 0.705 -2.476 -0.289) 2.591 11.819 ( 0.705 2.476 -0.289) 2.591 12.987 ( 0.099 -0.850 -0.092) 0.861 12.987 ( 0.099 0.850 -0.092) 0.861 14.387 ( -1.921 -0.369 4.436) 4.848 14.387 ( -1.921 0.369 4.436) 4.848 14.468 ( 0.575 -1.818 -3.064) 3.609 14.468 ( 0.575 1.818 -3.064) 3.609 15.125 ( 3.209 -1.803 -2.746) 4.592 15.125 ( 3.209 1.803 -2.746) 4.592 16.270 ( 1.047 -5.726 4.776) 7.530 16.270 ( 1.047 5.726 4.776) 7.530 16.386 ( -0.593 -7.070 -1.748) 7.307 16.386 ( -0.593 7.070 -1.748) 7.307 17.868 ( -0.366 -0.760 1.635) 1.840 17.868 ( -0.366 0.760 1.635) 1.840 18.183 ( -0.470 -1.142 -0.821) 1.483 18.183 ( -0.470 1.142 -0.821) 1.483 18.834 ( -0.569 -1.551 1.227) 2.058 18.834 ( -0.569 1.551 1.227) 2.058 20.006 ( -1.789 -0.419 2.641) 3.217 20.006 ( -1.789 0.419 2.641) 3.217 20.179 ( -0.559 -2.890 1.650) 3.374 20.179 ( -0.559 2.890 1.650) 3.374 20.248 ( 1.997 -2.135 -4.635) 5.480 20.248 ( 1.997 2.135 -4.635) 5.480 ======================= Grid point 151 (85/87) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -4.424 -5.160 3.642) 7.711 0.678 ( -4.424 5.160 3.642) 7.711 0.800 ( 0.360 -1.263 -0.427) 1.381 0.800 ( 0.360 1.263 -0.427) 1.381 0.961 ( -0.284 -2.816 -2.165) 3.564 0.961 ( -0.284 2.816 -2.165) 3.564 1.027 ( 2.302 -6.471 2.277) 7.236 1.027 ( 2.302 6.471 2.277) 7.236 1.151 ( -0.574 -5.717 -0.073) 5.746 1.151 ( -0.574 5.717 -0.073) 5.746 1.224 ( 0.680 -4.334 -0.195) 4.391 1.224 ( 0.680 4.334 -0.195) 4.391 1.327 ( -0.200 -1.377 -1.015) 1.722 1.327 ( -0.200 1.377 -1.015) 1.722 1.425 ( -1.568 -2.696 1.036) 3.286 1.425 ( -1.568 2.696 1.036) 3.286 1.475 ( -0.461 -3.820 1.448) 4.112 1.475 ( -0.461 3.820 1.448) 4.112 1.562 ( -3.121 -0.304 1.888) 3.660 1.562 ( -3.121 0.304 1.888) 3.660 1.794 ( -2.257 -4.099 2.664) 5.385 1.794 ( -2.257 4.099 2.664) 5.385 1.865 ( 0.033 -3.018 -3.521) 4.638 1.865 ( 0.033 3.018 -3.521) 4.638 2.024 ( 4.484 -3.375 -2.427) 6.114 2.024 ( 4.484 3.375 -2.427) 6.114 2.248 ( -2.054 -4.263 -0.654) 4.778 2.248 ( -2.054 4.263 -0.654) 4.778 2.381 ( -1.412 -2.440 2.048) 3.484 2.381 ( -1.412 2.440 2.048) 3.484 3.004 ( -1.466 -3.379 0.337) 3.699 3.004 ( -1.466 3.379 0.337) 3.699 3.200 ( 0.152 -2.012 3.605) 4.132 3.200 ( 0.152 2.012 3.605) 4.132 3.490 ( 1.469 -3.067 -1.355) 3.660 3.490 ( 1.469 3.067 -1.355) 3.660 3.735 ( -0.534 -2.368 -1.077) 2.656 3.735 ( -0.534 2.368 -1.077) 2.656 3.826 ( 0.059 -4.280 -0.226) 4.287 3.826 ( 0.059 4.280 -0.226) 4.287 4.205 ( -0.583 -3.321 2.408) 4.143 4.205 ( -0.583 3.321 2.408) 4.143 4.395 ( 1.133 -7.170 -1.855) 7.492 4.395 ( 1.133 7.170 -1.855) 7.492 4.812 ( 1.312 -3.365 -1.083) 3.770 4.812 ( 1.312 3.365 -1.083) 3.770 5.351 ( 0.429 -0.997 0.131) 1.094 5.351 ( 0.429 0.997 0.131) 1.094 5.492 ( -1.438 -1.617 2.368) 3.207 5.492 ( -1.438 1.617 2.368) 3.207 5.714 ( 1.649 -3.475 -4.868) 6.204 5.714 ( 1.649 3.475 -4.868) 6.204 5.887 ( 0.210 -2.027 -1.103) 2.317 5.887 ( 0.210 2.027 -1.103) 2.317 6.851 ( -0.654 -5.936 2.988) 6.678 6.851 ( -0.654 5.936 2.988) 6.678 6.865 ( 0.746 -6.566 -2.166) 6.954 6.865 ( 0.746 6.566 -2.166) 6.954 6.932 ( 0.390 -5.198 -0.287) 5.220 6.932 ( 0.390 5.198 -0.287) 5.220 7.483 ( 2.093 -4.571 -1.428) 5.226 7.483 ( 2.093 4.571 -1.428) 5.226 7.873 ( 1.728 -2.586 -0.141) 3.113 7.873 ( 1.728 2.586 -0.141) 3.113 8.807 ( 1.154 -3.204 0.524) 3.445 8.807 ( 1.154 3.204 0.524) 3.445 9.261 ( -3.121 -6.131 5.845) 9.027 9.261 ( -3.121 6.131 5.845) 9.027 9.405 ( -0.466 -1.352 -0.122) 1.436 9.405 ( -0.466 1.352 -0.122) 1.436 9.627 ( 7.408 -6.156 -7.004) 11.909 9.627 ( 7.408 6.156 -7.004) 11.909 10.136 ( -3.318 -9.896 5.670) 11.878 10.136 ( -3.318 9.896 5.670) 11.878 10.256 ( 1.977 -10.694 -6.692) 12.769 10.256 ( 1.977 10.694 -6.692) 12.769 10.978 ( -1.247 -5.997 9.255) 11.098 10.978 ( -1.247 5.997 9.255) 11.098 11.137 ( 6.329 -5.940 -3.923) 9.525 11.137 ( 6.329 5.940 -3.923) 9.525 11.549 ( -1.918 -5.131 -0.236) 5.482 11.549 ( -1.918 5.131 -0.236) 5.482 11.844 ( 2.413 -5.057 -1.091) 5.709 11.844 ( 2.413 5.057 -1.091) 5.709 12.977 ( -0.921 -2.292 -0.326) 2.492 12.977 ( -0.921 2.292 -0.326) 2.492 14.382 ( -2.970 -0.881 4.786) 5.702 14.382 ( -2.970 0.881 4.786) 5.702 14.453 ( 0.505 -1.598 -2.639) 3.127 14.453 ( 0.505 1.598 -2.639) 3.127 15.157 ( 4.149 -1.436 -5.792) 7.268 15.157 ( 4.149 1.436 -5.792) 7.268 16.304 ( 0.680 -1.811 -1.849) 2.676 16.304 ( 0.680 1.811 -1.849) 2.676 16.401 ( 3.030 -3.139 1.178) 4.519 16.401 ( 3.030 3.139 1.178) 4.519 17.880 ( 0.402 -2.639 0.827) 2.795 17.880 ( 0.402 2.639 0.827) 2.795 18.178 ( -0.010 -0.254 0.832) 0.870 18.178 ( -0.010 0.254 0.832) 0.870 18.849 ( 1.294 -0.602 1.416) 2.010 18.849 ( 1.294 0.602 1.416) 2.010 19.958 ( -6.061 -1.122 2.130) 6.522 19.958 ( -6.061 1.122 2.130) 6.522 20.182 ( -0.976 -1.702 3.646) 4.140 20.182 ( -0.976 1.702 3.646) 4.140 20.271 ( 4.665 -2.118 -5.060) 7.201 20.271 ( 4.665 2.118 -5.060) 7.201 ======================= Grid point 153 (86/87) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.704 -5.523 5.668) 8.738 0.641 ( -3.704 5.523 5.668) 8.738 0.817 ( 2.045 -1.887 -0.195) 2.789 0.817 ( 2.045 1.887 -0.195) 2.789 0.934 ( 0.135 -2.353 -4.317) 4.919 0.934 ( 0.135 2.353 -4.317) 4.919 1.068 ( 0.042 -6.205 1.975) 6.512 1.068 ( 0.042 6.205 1.975) 6.512 1.130 ( -1.690 -4.595 -0.829) 4.966 1.130 ( -1.690 4.595 -0.829) 4.966 1.235 ( 0.616 -4.732 -0.117) 4.773 1.235 ( 0.616 4.732 -0.117) 4.773 1.307 ( -0.530 -3.616 -1.496) 3.948 1.307 ( -0.530 3.616 -1.496) 3.948 1.400 ( -1.517 -0.834 -0.631) 1.842 1.400 ( -1.517 0.834 -0.631) 1.842 1.459 ( -1.539 -1.452 1.670) 2.696 1.459 ( -1.539 1.452 1.670) 2.696 1.553 ( -2.277 -1.731 5.409) 6.119 1.553 ( -2.277 1.731 5.409) 6.119 1.772 ( -1.692 -2.911 1.477) 3.676 1.772 ( -1.692 2.911 1.477) 3.676 1.849 ( 1.408 -3.660 -3.981) 5.588 1.849 ( 1.408 3.660 -3.981) 5.588 2.072 ( 2.694 -2.742 -1.805) 4.246 2.072 ( 2.694 2.742 -1.805) 4.246 2.214 ( -1.460 -5.010 0.956) 5.305 2.214 ( -1.460 5.010 0.956) 5.305 2.369 ( -2.094 -2.432 2.615) 4.140 2.369 ( -2.094 2.432 2.615) 4.140 2.978 ( -1.304 -4.373 -0.029) 4.563 2.978 ( -1.304 4.373 -0.029) 4.563 3.237 ( 0.191 -2.908 4.392) 5.271 3.237 ( 0.191 2.908 4.392) 5.271 3.511 ( 1.913 -3.038 -1.215) 3.790 3.511 ( 1.913 3.038 -1.215) 3.790 3.720 ( 0.164 -2.583 -1.438) 2.961 3.720 ( 0.164 2.583 -1.438) 2.961 3.829 ( 0.329 -5.003 0.234) 5.019 3.829 ( 0.329 5.003 0.234) 5.019 4.215 ( -0.331 -2.936 1.903) 3.515 4.215 ( -0.331 2.936 1.903) 3.515 4.401 ( 1.453 -6.307 -2.455) 6.922 4.401 ( 1.453 6.307 -2.455) 6.922 4.836 ( 1.673 -2.051 0.031) 2.647 4.836 ( 1.673 2.051 0.031) 2.647 5.353 ( 0.233 -1.279 -1.232) 1.791 5.353 ( 0.233 1.279 -1.232) 1.791 5.477 ( -2.144 -2.247 2.107) 3.753 5.477 ( -2.144 2.247 2.107) 3.753 5.688 ( -0.155 -3.077 -5.157) 6.007 5.688 ( -0.155 3.077 -5.157) 6.007 5.889 ( 1.339 -1.319 -1.492) 2.399 5.889 ( 1.339 1.319 -1.492) 2.399 6.853 ( -1.721 -3.805 2.712) 4.979 6.853 ( -1.721 3.805 2.712) 4.979 6.870 ( 1.458 -8.784 -1.386) 9.012 6.870 ( 1.458 8.784 -1.386) 9.012 6.947 ( 1.213 -6.082 -0.041) 6.202 6.947 ( 1.213 6.082 -0.041) 6.202 7.511 ( 2.250 -6.871 -1.519) 7.387 7.511 ( 2.250 6.871 -1.519) 7.387 7.906 ( 2.140 -4.180 -0.575) 4.731 7.906 ( 2.140 4.180 -0.575) 4.731 8.833 ( 1.764 -3.601 -0.521) 4.044 8.833 ( 1.764 3.601 -0.521) 4.044 9.255 ( -2.566 -6.030 5.349) 8.460 9.255 ( -2.566 6.030 5.349) 8.460 9.406 ( 0.241 -0.990 0.874) 1.342 9.406 ( 0.241 0.990 0.874) 1.342 9.700 ( 7.386 -4.751 -8.268) 12.062 9.700 ( 7.386 4.751 -8.268) 12.062 10.111 ( -4.016 -9.787 4.692) 11.573 10.111 ( -4.016 9.787 4.692) 11.573 10.234 ( 1.704 -13.281 -7.010) 15.113 10.234 ( 1.704 13.281 -7.010) 15.113 11.065 ( 1.903 -4.882 10.115) 11.392 11.065 ( 1.903 4.882 10.115) 11.392 11.236 ( 7.629 -4.532 -2.666) 9.266 11.236 ( 7.629 4.532 -2.666) 9.266 11.519 ( -1.078 -6.181 0.003) 6.274 11.519 ( -1.078 6.181 0.003) 6.274 11.871 ( 1.727 -6.077 -2.123) 6.665 11.871 ( 1.727 6.077 -2.123) 6.665 12.955 ( -0.840 -3.994 -0.928) 4.186 12.955 ( -0.840 3.994 -0.928) 4.186 14.362 ( -3.070 -1.218 4.090) 5.258 14.362 ( -3.070 1.218 4.090) 5.258 14.446 ( 0.812 -1.560 -2.115) 2.751 14.446 ( 0.812 1.560 -2.115) 2.751 15.169 ( 2.850 -2.279 -6.893) 7.799 15.169 ( 2.850 2.279 -6.893) 7.799 16.280 ( -0.083 -4.316 -4.358) 6.134 16.280 ( -0.083 4.316 -4.358) 6.134 16.483 ( 4.880 -5.996 0.171) 7.733 16.483 ( 4.880 5.996 0.171) 7.733 17.888 ( 0.305 -4.095 -0.502) 4.137 17.888 ( 0.305 4.095 -0.502) 4.137 18.193 ( 0.374 -1.513 1.555) 2.201 18.193 ( 0.374 1.513 1.555) 2.201 18.908 ( 4.215 -3.704 1.587) 5.831 18.908 ( 4.215 3.704 1.587) 5.831 19.819 ( -10.828 -1.814 0.519) 10.992 19.819 ( -10.828 1.814 0.519) 10.992 20.215 ( -0.142 -2.665 6.593) 7.113 20.215 ( -0.142 2.665 6.593) 7.113 20.321 ( 5.646 -3.340 -5.251) 8.403 20.321 ( 5.646 3.340 -5.251) 8.403 ======================= Grid point 155 (87/87) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -2.491 -4.690 7.979) 9.584 0.642 ( -2.491 4.690 7.979) 9.584 0.856 ( 0.859 -3.705 0.490) 3.835 0.856 ( 0.859 3.705 0.490) 3.835 0.897 ( 1.057 -0.927 -5.913) 6.078 0.897 ( 1.057 0.927 -5.913) 6.078 1.064 ( -2.154 -1.364 -0.717) 2.649 1.064 ( -2.154 1.364 -0.717) 2.649 1.086 ( -1.355 -3.247 0.967) 3.649 1.086 ( -1.355 3.247 0.967) 3.649 1.242 ( 0.363 -3.018 -0.507) 3.081 1.242 ( 0.363 3.018 -0.507) 3.081 1.292 ( 0.158 -3.720 -1.209) 3.915 1.292 ( 0.158 3.720 -1.209) 3.915 1.374 ( -1.031 -1.299 0.241) 1.675 1.374 ( -1.031 1.299 0.241) 1.675 1.461 ( 0.017 -3.040 1.547) 3.411 1.461 ( 0.017 3.040 1.547) 3.411 1.546 ( -2.404 -3.472 2.989) 5.173 1.546 ( -2.404 3.472 2.989) 5.173 1.762 ( -0.694 -2.336 1.197) 2.715 1.762 ( -0.694 2.336 1.197) 2.715 1.851 ( 1.993 -4.009 -3.067) 5.427 1.851 ( 1.993 4.009 -3.067) 5.427 2.084 ( 0.066 -0.999 -0.865) 1.322 2.084 ( 0.066 0.999 -0.865) 1.322 2.216 ( 0.036 -2.569 1.900) 3.195 2.216 ( 0.036 2.569 1.900) 3.195 2.358 ( -0.794 -0.653 1.560) 1.868 2.358 ( -0.794 0.653 1.560) 1.868 2.961 ( -0.944 -3.770 0.461) 3.914 2.961 ( -0.944 3.770 0.461) 3.914 3.271 ( -0.658 -3.629 4.881) 6.117 3.271 ( -0.658 3.629 4.881) 6.117 3.535 ( 1.828 -4.029 -1.015) 4.539 3.535 ( 1.828 4.029 -1.015) 4.539 3.721 ( 1.368 -2.345 -1.979) 3.359 3.721 ( 1.368 2.345 -1.979) 3.359 3.840 ( 0.186 -5.566 1.189) 5.695 3.840 ( 0.186 5.566 1.189) 5.695 4.222 ( -0.127 -2.160 0.850) 2.325 4.222 ( -0.127 2.160 0.850) 2.325 4.406 ( 1.464 -5.770 -2.706) 6.539 4.406 ( 1.464 5.770 -2.706) 6.539 4.862 ( 1.201 -1.496 -0.113) 1.922 4.862 ( 1.201 1.496 -0.113) 1.922 5.338 ( -0.834 -1.182 -1.230) 1.898 5.338 ( -0.834 1.182 -1.230) 1.898 5.463 ( -1.600 -1.915 3.592) 4.374 5.463 ( -1.600 1.915 3.592) 4.374 5.636 ( -0.303 -2.683 -6.033) 6.609 5.636 ( -0.303 2.683 -6.033) 6.609 5.904 ( 1.641 -1.537 -1.946) 2.973 5.904 ( 1.641 1.537 -1.946) 2.973 6.843 ( -1.935 -4.103 3.008) 5.443 6.843 ( -1.935 4.103 3.008) 5.443 6.888 ( 1.700 -8.421 -1.355) 8.697 6.888 ( 1.700 8.421 -1.355) 8.697 6.963 ( 0.622 -4.882 -0.209) 4.926 6.963 ( 0.622 4.882 -0.209) 4.926 7.534 ( 1.451 -6.455 -1.075) 6.702 7.534 ( 1.451 6.455 -1.075) 6.702 7.931 ( 1.165 -4.500 -0.851) 4.725 7.931 ( 1.165 4.500 -0.851) 4.725 8.855 ( 1.301 -3.109 -1.087) 3.541 8.855 ( 1.301 3.109 -1.087) 3.541 9.256 ( -1.628 -5.881 4.064) 7.332 9.256 ( -1.628 5.881 4.064) 7.332 9.425 ( -0.728 -2.975 4.525) 5.464 9.425 ( -0.728 2.975 4.525) 5.464 9.740 ( 5.344 -3.826 -10.065) 12.020 9.740 ( 5.344 3.826 -10.065) 12.020 10.082 ( -3.346 -10.758 4.699) 12.207 10.082 ( -3.346 10.758 4.699) 12.207 10.207 ( 1.977 -14.069 -7.485) 16.058 10.207 ( 1.977 14.069 -7.485) 16.058 11.178 ( 0.819 -1.318 10.163) 10.281 11.178 ( 0.819 1.318 10.163) 10.281 11.346 ( 7.193 -3.359 -3.218) 8.566 11.346 ( 7.193 3.359 -3.218) 8.566 11.523 ( 1.632 -6.514 0.476) 6.732 11.523 ( 1.632 6.514 0.476) 6.732 11.852 ( -1.740 -5.042 -3.302) 6.273 11.852 ( -1.740 5.042 -3.302) 6.273 12.939 ( 0.278 -4.807 -1.939) 5.191 12.939 ( 0.278 4.807 -1.939) 5.191 14.348 ( -1.720 -1.179 2.985) 3.641 14.348 ( -1.720 1.179 2.985) 3.641 14.444 ( 0.754 -1.424 -1.865) 2.465 14.444 ( 0.754 1.424 -1.865) 2.465 15.147 ( 0.352 -1.890 -5.341) 5.676 15.147 ( 0.352 1.890 -5.341) 5.676 16.239 ( -0.944 -2.679 -3.290) 4.347 16.239 ( -0.944 2.679 -3.290) 4.347 16.555 ( 3.641 -5.419 -1.523) 6.704 16.555 ( 3.641 5.419 -1.523) 6.704 17.883 ( -0.278 -3.152 -0.648) 3.230 17.883 ( -0.278 3.152 -0.648) 3.230 18.206 ( -0.067 -1.446 0.704) 1.609 18.206 ( -0.067 1.446 0.704) 1.609 19.011 ( 5.489 -6.609 0.887) 8.637 19.011 ( 5.489 6.609 0.887) 8.637 19.618 ( -11.288 -3.755 0.660) 11.914 19.618 ( -11.288 3.755 0.660) 11.914 20.263 ( -0.728 -3.611 6.184) 7.198 20.263 ( -0.728 3.611 6.184) 7.198 20.380 ( 5.109 -3.783 -4.149) 7.591 20.380 ( 5.109 3.783 -4.149) 7.591 =================== 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 3/24192 10.0 2.951 3.065 5.394 0.000 -1.358 0.000 3/24192 20.0 1.043 1.368 1.978 0.000 -0.542 0.000 3/24192 30.0 0.658 0.946 1.261 0.000 -0.353 0.000 3/24192 40.0 0.494 0.770 0.963 0.000 -0.276 0.000 3/24192 50.0 0.401 0.674 0.796 0.000 -0.232 0.000 3/24192 60.0 0.340 0.611 0.689 0.000 -0.204 0.000 3/24192 70.0 0.298 0.564 0.613 0.000 -0.184 0.000 3/24192 80.0 0.267 0.527 0.556 0.000 -0.169 0.000 3/24192 90.0 0.243 0.495 0.511 0.000 -0.157 0.000 3/24192 100.0 0.224 0.468 0.475 0.000 -0.147 0.000 3/24192 110.0 0.209 0.444 0.445 0.000 -0.139 0.000 3/24192 120.0 0.196 0.422 0.419 0.000 -0.131 0.000 3/24192 130.0 0.186 0.402 0.397 0.000 -0.125 0.000 3/24192 140.0 0.177 0.384 0.377 0.000 -0.119 0.000 3/24192 150.0 0.169 0.367 0.359 0.000 -0.114 0.000 3/24192 160.0 0.162 0.352 0.344 0.000 -0.109 0.000 3/24192 170.0 0.155 0.338 0.329 0.000 -0.104 0.000 3/24192 180.0 0.150 0.325 0.316 0.000 -0.100 0.000 3/24192 190.0 0.144 0.313 0.304 0.000 -0.096 0.000 3/24192 200.0 0.140 0.301 0.293 0.000 -0.093 0.000 3/24192 210.0 0.135 0.291 0.282 0.000 -0.090 0.000 3/24192 220.0 0.131 0.281 0.272 0.000 -0.086 0.000 3/24192 230.0 0.127 0.271 0.263 0.000 -0.084 0.000 3/24192 240.0 0.124 0.263 0.255 0.000 -0.081 0.000 3/24192 250.0 0.120 0.254 0.247 0.000 -0.078 0.000 3/24192 260.0 0.117 0.247 0.239 0.000 -0.076 0.000 3/24192 270.0 0.114 0.239 0.232 0.000 -0.073 0.000 3/24192 280.0 0.111 0.232 0.226 0.000 -0.071 0.000 3/24192 290.0 0.109 0.226 0.219 0.000 -0.069 0.000 3/24192 300.0 0.106 0.219 0.213 0.000 -0.067 0.000 3/24192 310.0 0.104 0.214 0.208 0.000 -0.065 0.000 3/24192 320.0 0.101 0.208 0.202 0.000 -0.064 0.000 3/24192 330.0 0.099 0.203 0.197 0.000 -0.062 0.000 3/24192 340.0 0.097 0.197 0.192 0.000 -0.060 0.000 3/24192 350.0 0.095 0.193 0.188 0.000 -0.059 0.000 3/24192 360.0 0.092 0.188 0.183 0.000 -0.057 0.000 3/24192 370.0 0.091 0.184 0.179 0.000 -0.056 0.000 3/24192 380.0 0.089 0.179 0.175 0.000 -0.055 0.000 3/24192 390.0 0.087 0.175 0.171 0.000 -0.054 0.000 3/24192 400.0 0.085 0.171 0.167 0.000 -0.052 0.000 3/24192 410.0 0.083 0.168 0.164 0.000 -0.051 0.000 3/24192 420.0 0.082 0.164 0.160 0.000 -0.050 0.000 3/24192 430.0 0.080 0.161 0.157 0.000 -0.049 0.000 3/24192 440.0 0.079 0.157 0.154 0.000 -0.048 0.000 3/24192 450.0 0.077 0.154 0.151 0.000 -0.047 0.000 3/24192 460.0 0.076 0.151 0.148 0.000 -0.046 0.000 3/24192 470.0 0.075 0.148 0.145 0.000 -0.045 0.000 3/24192 480.0 0.073 0.145 0.142 0.000 -0.044 0.000 3/24192 490.0 0.072 0.143 0.139 0.000 -0.043 0.000 3/24192 500.0 0.071 0.140 0.137 0.000 -0.043 0.000 3/24192 510.0 0.070 0.137 0.134 0.000 -0.042 0.000 3/24192 520.0 0.068 0.135 0.132 0.000 -0.041 0.000 3/24192 530.0 0.067 0.133 0.130 0.000 -0.040 0.000 3/24192 540.0 0.066 0.130 0.128 0.000 -0.040 0.000 3/24192 550.0 0.065 0.128 0.125 0.000 -0.039 0.000 3/24192 560.0 0.064 0.126 0.123 0.000 -0.038 0.000 3/24192 570.0 0.063 0.124 0.121 0.000 -0.038 0.000 3/24192 580.0 0.062 0.122 0.119 0.000 -0.037 0.000 3/24192 590.0 0.061 0.120 0.118 0.000 -0.036 0.000 3/24192 600.0 0.060 0.118 0.116 0.000 -0.036 0.000 3/24192 610.0 0.059 0.116 0.114 0.000 -0.035 0.000 3/24192 620.0 0.059 0.114 0.112 0.000 -0.035 0.000 3/24192 630.0 0.058 0.113 0.111 0.000 -0.034 0.000 3/24192 640.0 0.057 0.111 0.109 0.000 -0.034 0.000 3/24192 650.0 0.056 0.109 0.107 0.000 -0.033 0.000 3/24192 660.0 0.055 0.108 0.106 0.000 -0.033 0.000 3/24192 670.0 0.055 0.106 0.104 0.000 -0.032 0.000 3/24192 680.0 0.054 0.105 0.103 0.000 -0.032 0.000 3/24192 690.0 0.053 0.103 0.101 0.000 -0.031 0.000 3/24192 700.0 0.052 0.102 0.100 0.000 -0.031 0.000 3/24192 710.0 0.052 0.101 0.099 0.000 -0.031 0.000 3/24192 720.0 0.051 0.099 0.097 0.000 -0.030 0.000 3/24192 730.0 0.050 0.098 0.096 0.000 -0.030 0.000 3/24192 740.0 0.050 0.097 0.095 0.000 -0.029 0.000 3/24192 750.0 0.049 0.095 0.094 0.000 -0.029 0.000 3/24192 760.0 0.049 0.094 0.092 0.000 -0.029 0.000 3/24192 770.0 0.048 0.093 0.091 0.000 -0.028 0.000 3/24192 780.0 0.047 0.092 0.090 0.000 -0.028 0.000 3/24192 790.0 0.047 0.091 0.089 0.000 -0.028 0.000 3/24192 800.0 0.046 0.090 0.088 0.000 -0.027 0.000 3/24192 810.0 0.046 0.089 0.087 0.000 -0.027 0.000 3/24192 820.0 0.045 0.088 0.086 0.000 -0.027 0.000 3/24192 830.0 0.045 0.087 0.085 0.000 -0.026 0.000 3/24192 840.0 0.044 0.086 0.084 0.000 -0.026 0.000 3/24192 850.0 0.044 0.085 0.083 0.000 -0.026 0.000 3/24192 860.0 0.043 0.084 0.082 0.000 -0.025 0.000 3/24192 870.0 0.043 0.083 0.081 0.000 -0.025 0.000 3/24192 880.0 0.042 0.082 0.080 0.000 -0.025 0.000 3/24192 890.0 0.042 0.081 0.079 0.000 -0.025 0.000 3/24192 900.0 0.041 0.080 0.079 0.000 -0.024 0.000 3/24192 910.0 0.041 0.079 0.078 0.000 -0.024 0.000 3/24192 920.0 0.041 0.078 0.077 0.000 -0.024 0.000 3/24192 930.0 0.040 0.077 0.076 0.000 -0.024 0.000 3/24192 940.0 0.040 0.077 0.075 0.000 -0.023 0.000 3/24192 950.0 0.039 0.076 0.075 0.000 -0.023 0.000 3/24192 960.0 0.039 0.075 0.074 0.000 -0.023 0.000 3/24192 970.0 0.039 0.074 0.073 0.000 -0.023 0.000 3/24192 980.0 0.038 0.074 0.072 0.000 -0.022 0.000 3/24192 990.0 0.038 0.073 0.072 0.000 -0.022 0.000 3/24192 1000.0 0.037 0.072 0.071 0.000 -0.022 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m847.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:40:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|