----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:13:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 5.564652022262989 0.000000000000000 0.000000000000000 b 0.000000000000000 5.403504180000000 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): *1 F 0.13157756136364 0.17202062574241 0.48754281605134 18.998 2 F 0.86842243863636 0.67202062574241 0.01245718394866 18.998 3 F 0.86842243863636 0.82797937425759 0.51245718394866 18.998 4 F 0.13157756136364 0.32797937425759 0.98754281605134 18.998 *5 F 0.56924523537150 0.21607145281910 0.31797092321982 18.998 6 F 0.43075476462850 0.71607145281910 0.18202907678018 18.998 7 F 0.43075476462850 0.78392854718090 0.68202907678018 18.998 8 F 0.56924523537150 0.28392854718090 0.81797092321982 18.998 *9 F 0.39367984515146 0.26565483557614 0.13607518223103 18.998 10 F 0.60632015484854 0.76565483557614 0.36392481776897 18.998 11 F 0.60632015484854 0.73434516442386 0.86392481776897 18.998 12 F 0.39367984515146 0.23434516442386 0.63607518223103 18.998 *13 F 0.97973568511126 0.71555724995447 0.66652934997118 18.998 14 F 0.02026431488874 0.21555724995447 0.83347065002882 18.998 15 F 0.02026431488874 0.28444275004553 0.33347065002882 18.998 16 F 0.97973568511126 0.78444275004553 0.16652934997118 18.998 *17 F 0.93668152643567 0.18534556863962 0.64793895062901 18.998 18 F 0.06331847356433 0.68534556863962 0.85206104937099 18.998 19 F 0.06331847356433 0.81465443136038 0.35206104937099 18.998 20 F 0.93668152643567 0.31465443136038 0.14793895062901 18.998 *21 F 0.65639907408409 0.22676152759728 0.97626794536410 18.998 22 F 0.34360092591592 0.72676152759728 0.52373205463590 18.998 23 F 0.34360092591592 0.77323847240272 0.02373205463590 18.998 24 F 0.65639907408409 0.27323847240272 0.47626794536410 18.998 *25 Na 0.67181823911103 0.50341590864204 0.59218363043272 22.990 26 Na 0.32818176088897 0.00341590864204 0.90781636956728 22.990 27 Na 0.32818176088897 0.49658409135796 0.40781636956728 22.990 28 Na 0.67181823911103 0.99658409135796 0.09218363043272 22.990 *29 Na 0.75570279796190 0.53352608785808 0.25248174403940 22.990 30 Na 0.24429720203810 0.03352608785808 0.24751825596060 22.990 31 Na 0.24429720203810 0.46647391214192 0.74751825596060 22.990 32 Na 0.75570279796190 0.96647391214192 0.75248174403940 22.990 *33 Zr 0.82539439091866 0.45123609042224 0.90125008675313 91.224 34 Zr 0.17460560908134 0.95123609042224 0.59874991324687 91.224 35 Zr 0.17460560908134 0.54876390957776 0.09874991324687 91.224 36 Zr 0.82539439091866 0.04876390957776 0.40125008675313 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.564652022262989 0.000000000000000 0.000000000000000 b 0.000000000000000 5.403504180000000 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): *1 F 0.13157756136364 0.17202062574241 0.48754281605134 18.998 > 1 2 F 0.86842243863636 0.67202062574241 0.01245718394866 18.998 > 2 3 F 0.86842243863636 0.82797937425759 0.51245718394866 18.998 > 3 4 F 0.13157756136364 0.32797937425759 0.98754281605134 18.998 > 4 *5 F 0.56924523537150 0.21607145281910 0.31797092321982 18.998 > 5 6 F 0.43075476462850 0.71607145281910 0.18202907678018 18.998 > 6 7 F 0.43075476462850 0.78392854718090 0.68202907678018 18.998 > 7 8 F 0.56924523537150 0.28392854718090 0.81797092321982 18.998 > 8 *9 F 0.39367984515146 0.26565483557614 0.13607518223103 18.998 > 9 10 F 0.60632015484854 0.76565483557614 0.36392481776897 18.998 > 10 11 F 0.60632015484854 0.73434516442386 0.86392481776897 18.998 > 11 12 F 0.39367984515146 0.23434516442386 0.63607518223103 18.998 > 12 *13 F 0.97973568511126 0.71555724995447 0.66652934997118 18.998 > 13 14 F 0.02026431488874 0.21555724995447 0.83347065002882 18.998 > 14 15 F 0.02026431488874 0.28444275004553 0.33347065002882 18.998 > 15 16 F 0.97973568511126 0.78444275004553 0.16652934997118 18.998 > 16 *17 F 0.93668152643567 0.18534556863962 0.64793895062901 18.998 > 17 18 F 0.06331847356433 0.68534556863962 0.85206104937099 18.998 > 18 19 F 0.06331847356433 0.81465443136038 0.35206104937099 18.998 > 19 20 F 0.93668152643567 0.31465443136038 0.14793895062901 18.998 > 20 *21 F 0.65639907408409 0.22676152759728 0.97626794536410 18.998 > 21 22 F 0.34360092591592 0.72676152759728 0.52373205463590 18.998 > 22 23 F 0.34360092591592 0.77323847240272 0.02373205463590 18.998 > 23 24 F 0.65639907408409 0.27323847240272 0.47626794536410 18.998 > 24 *25 Na 0.67181823911103 0.50341590864204 0.59218363043272 22.990 > 25 26 Na 0.32818176088897 0.00341590864204 0.90781636956728 22.990 > 26 27 Na 0.32818176088897 0.49658409135796 0.40781636956728 22.990 > 27 28 Na 0.67181823911103 0.99658409135796 0.09218363043272 22.990 > 28 *29 Na 0.75570279796190 0.53352608785808 0.25248174403940 22.990 > 29 30 Na 0.24429720203810 0.03352608785808 0.24751825596060 22.990 > 30 31 Na 0.24429720203810 0.46647391214192 0.74751825596060 22.990 > 31 32 Na 0.75570279796190 0.96647391214192 0.75248174403940 22.990 > 32 *33 Zr 0.82539439091866 0.45123609042224 0.90125008675313 91.224 > 33 34 Zr 0.17460560908134 0.95123609042224 0.59874991324687 91.224 > 34 35 Zr 0.17460560908134 0.54876390957776 0.09874991324687 91.224 > 35 36 Zr 0.82539439091866 0.04876390957776 0.40125008675313 91.224 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.129304044525979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.807008359999999 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): *1 F 0.06578878068182 0.08601031287121 0.48754281605134 18.998 > 1 2 F 0.56578878068182 0.08601031287121 0.48754281605134 18.998 > 1 3 F 0.06578878068182 0.58601031287121 0.48754281605134 18.998 > 1 4 F 0.56578878068182 0.58601031287121 0.48754281605134 18.998 > 1 5 F 0.43421121931818 0.33601031287121 0.01245718394866 18.998 > 2 6 F 0.93421121931818 0.33601031287121 0.01245718394866 18.998 > 2 7 F 0.43421121931818 0.83601031287121 0.01245718394866 18.998 > 2 8 F 0.93421121931818 0.83601031287121 0.01245718394866 18.998 > 2 9 F 0.43421121931818 0.41398968712879 0.51245718394866 18.998 > 3 10 F 0.93421121931818 0.41398968712879 0.51245718394866 18.998 > 3 11 F 0.43421121931818 0.91398968712879 0.51245718394866 18.998 > 3 12 F 0.93421121931818 0.91398968712879 0.51245718394866 18.998 > 3 13 F 0.06578878068182 0.16398968712879 0.98754281605134 18.998 > 4 14 F 0.56578878068182 0.16398968712879 0.98754281605134 18.998 > 4 15 F 0.06578878068182 0.66398968712879 0.98754281605134 18.998 > 4 16 F 0.56578878068182 0.66398968712879 0.98754281605134 18.998 > 4 *17 F 0.28462261768575 0.10803572640955 0.31797092321982 18.998 > 5 18 F 0.78462261768575 0.10803572640955 0.31797092321982 18.998 > 5 19 F 0.28462261768575 0.60803572640955 0.31797092321982 18.998 > 5 20 F 0.78462261768575 0.60803572640955 0.31797092321982 18.998 > 5 21 F 0.21537738231425 0.35803572640955 0.18202907678018 18.998 > 6 22 F 0.71537738231425 0.35803572640955 0.18202907678018 18.998 > 6 23 F 0.21537738231425 0.85803572640955 0.18202907678018 18.998 > 6 24 F 0.71537738231425 0.85803572640955 0.18202907678018 18.998 > 6 25 F 0.21537738231425 0.39196427359045 0.68202907678018 18.998 > 7 26 F 0.71537738231425 0.39196427359045 0.68202907678018 18.998 > 7 27 F 0.21537738231425 0.89196427359045 0.68202907678018 18.998 > 7 28 F 0.71537738231425 0.89196427359045 0.68202907678018 18.998 > 7 29 F 0.28462261768575 0.14196427359045 0.81797092321982 18.998 > 8 30 F 0.78462261768575 0.14196427359045 0.81797092321982 18.998 > 8 31 F 0.28462261768575 0.64196427359045 0.81797092321982 18.998 > 8 32 F 0.78462261768575 0.64196427359045 0.81797092321982 18.998 > 8 *33 F 0.19683992257573 0.13282741778807 0.13607518223103 18.998 > 9 34 F 0.69683992257573 0.13282741778807 0.13607518223103 18.998 > 9 35 F 0.19683992257573 0.63282741778807 0.13607518223103 18.998 > 9 36 F 0.69683992257573 0.63282741778807 0.13607518223103 18.998 > 9 37 F 0.30316007742427 0.38282741778807 0.36392481776897 18.998 > 10 38 F 0.80316007742427 0.38282741778807 0.36392481776897 18.998 > 10 39 F 0.30316007742427 0.88282741778807 0.36392481776897 18.998 > 10 40 F 0.80316007742427 0.88282741778807 0.36392481776897 18.998 > 10 41 F 0.30316007742427 0.36717258221193 0.86392481776897 18.998 > 11 42 F 0.80316007742427 0.36717258221193 0.86392481776897 18.998 > 11 43 F 0.30316007742427 0.86717258221193 0.86392481776897 18.998 > 11 44 F 0.80316007742427 0.86717258221193 0.86392481776897 18.998 > 11 45 F 0.19683992257573 0.11717258221193 0.63607518223103 18.998 > 12 46 F 0.69683992257573 0.11717258221193 0.63607518223103 18.998 > 12 47 F 0.19683992257573 0.61717258221193 0.63607518223103 18.998 > 12 48 F 0.69683992257573 0.61717258221193 0.63607518223103 18.998 > 12 *49 F 0.48986784255563 0.35777862497724 0.66652934997118 18.998 > 13 50 F 0.98986784255563 0.35777862497724 0.66652934997118 18.998 > 13 51 F 0.48986784255563 0.85777862497724 0.66652934997118 18.998 > 13 52 F 0.98986784255563 0.85777862497724 0.66652934997118 18.998 > 13 53 F 0.01013215744437 0.10777862497724 0.83347065002882 18.998 > 14 54 F 0.51013215744437 0.10777862497724 0.83347065002882 18.998 > 14 55 F 0.01013215744437 0.60777862497724 0.83347065002882 18.998 > 14 56 F 0.51013215744437 0.60777862497724 0.83347065002882 18.998 > 14 57 F 0.01013215744437 0.14222137502276 0.33347065002882 18.998 > 15 58 F 0.51013215744437 0.14222137502276 0.33347065002882 18.998 > 15 59 F 0.01013215744437 0.64222137502276 0.33347065002882 18.998 > 15 60 F 0.51013215744437 0.64222137502276 0.33347065002882 18.998 > 15 61 F 0.48986784255563 0.39222137502276 0.16652934997118 18.998 > 16 62 F 0.98986784255563 0.39222137502276 0.16652934997118 18.998 > 16 63 F 0.48986784255563 0.89222137502276 0.16652934997118 18.998 > 16 64 F 0.98986784255563 0.89222137502276 0.16652934997118 18.998 > 16 *65 F 0.46834076321783 0.09267278431981 0.64793895062901 18.998 > 17 66 F 0.96834076321783 0.09267278431981 0.64793895062901 18.998 > 17 67 F 0.46834076321783 0.59267278431981 0.64793895062901 18.998 > 17 68 F 0.96834076321783 0.59267278431981 0.64793895062901 18.998 > 17 69 F 0.03165923678217 0.34267278431981 0.85206104937099 18.998 > 18 70 F 0.53165923678217 0.34267278431981 0.85206104937099 18.998 > 18 71 F 0.03165923678217 0.84267278431981 0.85206104937099 18.998 > 18 72 F 0.53165923678217 0.84267278431981 0.85206104937099 18.998 > 18 73 F 0.03165923678217 0.40732721568019 0.35206104937099 18.998 > 19 74 F 0.53165923678217 0.40732721568019 0.35206104937099 18.998 > 19 75 F 0.03165923678217 0.90732721568019 0.35206104937099 18.998 > 19 76 F 0.53165923678217 0.90732721568019 0.35206104937099 18.998 > 19 77 F 0.46834076321783 0.15732721568019 0.14793895062901 18.998 > 20 78 F 0.96834076321783 0.15732721568019 0.14793895062901 18.998 > 20 79 F 0.46834076321783 0.65732721568019 0.14793895062901 18.998 > 20 80 F 0.96834076321783 0.65732721568019 0.14793895062901 18.998 > 20 *81 F 0.32819953704204 0.11338076379864 0.97626794536410 18.998 > 21 82 F 0.82819953704204 0.11338076379864 0.97626794536410 18.998 > 21 83 F 0.32819953704204 0.61338076379864 0.97626794536410 18.998 > 21 84 F 0.82819953704204 0.61338076379864 0.97626794536410 18.998 > 21 85 F 0.17180046295796 0.36338076379864 0.52373205463590 18.998 > 22 86 F 0.67180046295796 0.36338076379864 0.52373205463590 18.998 > 22 87 F 0.17180046295796 0.86338076379864 0.52373205463590 18.998 > 22 88 F 0.67180046295796 0.86338076379864 0.52373205463590 18.998 > 22 89 F 0.17180046295796 0.38661923620136 0.02373205463590 18.998 > 23 90 F 0.67180046295796 0.38661923620136 0.02373205463590 18.998 > 23 91 F 0.17180046295796 0.88661923620136 0.02373205463590 18.998 > 23 92 F 0.67180046295796 0.88661923620136 0.02373205463590 18.998 > 23 93 F 0.32819953704204 0.13661923620136 0.47626794536410 18.998 > 24 94 F 0.82819953704204 0.13661923620136 0.47626794536410 18.998 > 24 95 F 0.32819953704204 0.63661923620136 0.47626794536410 18.998 > 24 96 F 0.82819953704204 0.63661923620136 0.47626794536410 18.998 > 24 *97 Na 0.33590911955552 0.25170795432102 0.59218363043272 22.990 > 25 98 Na 0.83590911955552 0.25170795432102 0.59218363043272 22.990 > 25 99 Na 0.33590911955552 0.75170795432102 0.59218363043272 22.990 > 25 100 Na 0.83590911955552 0.75170795432102 0.59218363043272 22.990 > 25 101 Na 0.16409088044448 0.00170795432102 0.90781636956728 22.990 > 26 102 Na 0.66409088044448 0.00170795432102 0.90781636956728 22.990 > 26 103 Na 0.16409088044448 0.50170795432102 0.90781636956728 22.990 > 26 104 Na 0.66409088044448 0.50170795432102 0.90781636956728 22.990 > 26 105 Na 0.16409088044448 0.24829204567898 0.40781636956728 22.990 > 27 106 Na 0.66409088044448 0.24829204567898 0.40781636956728 22.990 > 27 107 Na 0.16409088044448 0.74829204567898 0.40781636956728 22.990 > 27 108 Na 0.66409088044448 0.74829204567898 0.40781636956728 22.990 > 27 109 Na 0.33590911955552 0.49829204567898 0.09218363043272 22.990 > 28 110 Na 0.83590911955552 0.49829204567898 0.09218363043272 22.990 > 28 111 Na 0.33590911955552 0.99829204567898 0.09218363043272 22.990 > 28 112 Na 0.83590911955552 0.99829204567898 0.09218363043272 22.990 > 28 *113 Na 0.37785139898095 0.26676304392904 0.25248174403940 22.990 > 29 114 Na 0.87785139898095 0.26676304392904 0.25248174403940 22.990 > 29 115 Na 0.37785139898095 0.76676304392904 0.25248174403940 22.990 > 29 116 Na 0.87785139898095 0.76676304392904 0.25248174403940 22.990 > 29 117 Na 0.12214860101905 0.01676304392904 0.24751825596060 22.990 > 30 118 Na 0.62214860101905 0.01676304392904 0.24751825596060 22.990 > 30 119 Na 0.12214860101905 0.51676304392904 0.24751825596060 22.990 > 30 120 Na 0.62214860101905 0.51676304392904 0.24751825596060 22.990 > 30 121 Na 0.12214860101905 0.23323695607096 0.74751825596060 22.990 > 31 122 Na 0.62214860101905 0.23323695607096 0.74751825596060 22.990 > 31 123 Na 0.12214860101905 0.73323695607096 0.74751825596060 22.990 > 31 124 Na 0.62214860101905 0.73323695607096 0.74751825596060 22.990 > 31 125 Na 0.37785139898095 0.48323695607096 0.75248174403940 22.990 > 32 126 Na 0.87785139898095 0.48323695607096 0.75248174403940 22.990 > 32 127 Na 0.37785139898095 0.98323695607096 0.75248174403940 22.990 > 32 128 Na 0.87785139898095 0.98323695607096 0.75248174403940 22.990 > 32 *129 Zr 0.41269719545933 0.22561804521112 0.90125008675313 91.224 > 33 130 Zr 0.91269719545933 0.22561804521112 0.90125008675313 91.224 > 33 131 Zr 0.41269719545933 0.72561804521112 0.90125008675313 91.224 > 33 132 Zr 0.91269719545933 0.72561804521112 0.90125008675313 91.224 > 33 133 Zr 0.08730280454067 0.47561804521112 0.59874991324687 91.224 > 34 134 Zr 0.58730280454067 0.47561804521112 0.59874991324687 91.224 > 34 135 Zr 0.08730280454067 0.97561804521112 0.59874991324687 91.224 > 34 136 Zr 0.58730280454067 0.97561804521112 0.59874991324687 91.224 > 34 137 Zr 0.08730280454067 0.27438195478888 0.09874991324687 91.224 > 35 138 Zr 0.58730280454067 0.27438195478888 0.09874991324687 91.224 > 35 139 Zr 0.08730280454067 0.77438195478888 0.09874991324687 91.224 > 35 140 Zr 0.58730280454067 0.77438195478888 0.09874991324687 91.224 > 35 141 Zr 0.41269719545933 0.02438195478888 0.40125008675313 91.224 > 36 142 Zr 0.91269719545933 0.02438195478888 0.40125008675313 91.224 > 36 143 Zr 0.41269719545933 0.52438195478888 0.40125008675313 91.224 > 36 144 Zr 0.91269719545933 0.52438195478888 0.40125008675313 91.224 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1493811 0.0000000 0.0257266 0.0000000 2.1440208 0.0000000 0.0257266 0.0000000 2.1635681 -------------------------- Born effective charges -------------------------- 1 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 2 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 3 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 4 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 5 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 6 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 7 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 8 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 9 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 10 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 11 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 12 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 13 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 14 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 15 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 16 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 17 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 18 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 19 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 20 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 21 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 22 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 23 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 24 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 25 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 26 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 27 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 28 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 29 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 30 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 31 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 32 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 33 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 34 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 35 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 36 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 ---------------------------------------------------------------------------- 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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): 0.004 Solver_block: 100 / 1120 - Time: 2.798 Solver_block: 200 / 1120 - Time: 2.794 Solver_block: 300 / 1120 - Time: 2.932 Solver_block: 400 / 1120 - Time: 2.735 Solver_block: 500 / 1120 - Time: 2.847 Solver_block: 600 / 1120 - Time: 2.776 Solver_block: 700 / 1120 - Time: 2.872 Solver_block: 800 / 1120 - Time: 2.339 Solver_block: 900 / 1120 - Time: 2.857 Solver_block: 1000 / 1120 - Time: 2.365 Solver_block: 1100 / 1120 - Time: 2.542 Solver_block: 1120 / 1120 - Time: 0.830 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.766 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:15:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:15:26]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.564652022262989 0.000000000000000 0.000000000000000 b 0.000000000000000 5.403504180000000 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): 1 F 0.13157756136364 0.17202062574241 0.48754281605134 18.998 2 F 0.86842243863636 0.67202062574241 0.01245718394866 18.998 3 F 0.86842243863636 0.82797937425759 0.51245718394866 18.998 4 F 0.13157756136364 0.32797937425759 0.98754281605134 18.998 5 F 0.56924523537150 0.21607145281910 0.31797092321982 18.998 6 F 0.43075476462850 0.71607145281910 0.18202907678018 18.998 7 F 0.43075476462850 0.78392854718090 0.68202907678018 18.998 8 F 0.56924523537150 0.28392854718090 0.81797092321982 18.998 9 F 0.39367984515146 0.26565483557614 0.13607518223103 18.998 10 F 0.60632015484854 0.76565483557614 0.36392481776897 18.998 11 F 0.60632015484854 0.73434516442386 0.86392481776897 18.998 12 F 0.39367984515146 0.23434516442386 0.63607518223103 18.998 13 F 0.97973568511126 0.71555724995447 0.66652934997118 18.998 14 F 0.02026431488874 0.21555724995447 0.83347065002882 18.998 15 F 0.02026431488874 0.28444275004553 0.33347065002882 18.998 16 F 0.97973568511126 0.78444275004553 0.16652934997118 18.998 17 F 0.93668152643567 0.18534556863962 0.64793895062901 18.998 18 F 0.06331847356433 0.68534556863962 0.85206104937099 18.998 19 F 0.06331847356433 0.81465443136038 0.35206104937099 18.998 20 F 0.93668152643567 0.31465443136038 0.14793895062901 18.998 21 F 0.65639907408409 0.22676152759728 0.97626794536410 18.998 22 F 0.34360092591592 0.72676152759728 0.52373205463590 18.998 23 F 0.34360092591592 0.77323847240272 0.02373205463590 18.998 24 F 0.65639907408409 0.27323847240272 0.47626794536410 18.998 25 Na 0.67181823911103 0.50341590864204 0.59218363043272 22.990 26 Na 0.32818176088897 0.00341590864204 0.90781636956728 22.990 27 Na 0.32818176088897 0.49658409135796 0.40781636956728 22.990 28 Na 0.67181823911103 0.99658409135796 0.09218363043272 22.990 29 Na 0.75570279796190 0.53352608785808 0.25248174403940 22.990 30 Na 0.24429720203810 0.03352608785808 0.24751825596060 22.990 31 Na 0.24429720203810 0.46647391214192 0.74751825596060 22.990 32 Na 0.75570279796190 0.96647391214192 0.75248174403940 22.990 33 Zr 0.82539439091866 0.45123609042224 0.90125008675313 91.224 34 Zr 0.17460560908134 0.95123609042224 0.59874991324687 91.224 35 Zr 0.17460560908134 0.54876390957776 0.09874991324687 91.224 36 Zr 0.82539439091866 0.04876390957776 0.40125008675313 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.129304044525979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.807008359999999 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): 1 F 0.06578878068182 0.08601031287121 0.48754281605134 18.998 > 1 2 F 0.56578878068182 0.08601031287121 0.48754281605134 18.998 > 1 3 F 0.06578878068182 0.58601031287121 0.48754281605134 18.998 > 1 4 F 0.56578878068182 0.58601031287121 0.48754281605134 18.998 > 1 5 F 0.43421121931818 0.33601031287121 0.01245718394866 18.998 > 5 6 F 0.93421121931818 0.33601031287121 0.01245718394866 18.998 > 5 7 F 0.43421121931818 0.83601031287121 0.01245718394866 18.998 > 5 8 F 0.93421121931818 0.83601031287121 0.01245718394866 18.998 > 5 9 F 0.43421121931818 0.41398968712879 0.51245718394866 18.998 > 9 10 F 0.93421121931818 0.41398968712879 0.51245718394866 18.998 > 9 11 F 0.43421121931818 0.91398968712879 0.51245718394866 18.998 > 9 12 F 0.93421121931818 0.91398968712879 0.51245718394866 18.998 > 9 13 F 0.06578878068182 0.16398968712879 0.98754281605134 18.998 > 13 14 F 0.56578878068182 0.16398968712879 0.98754281605134 18.998 > 13 15 F 0.06578878068182 0.66398968712879 0.98754281605134 18.998 > 13 16 F 0.56578878068182 0.66398968712879 0.98754281605134 18.998 > 13 17 F 0.28462261768575 0.10803572640955 0.31797092321982 18.998 > 17 18 F 0.78462261768575 0.10803572640955 0.31797092321982 18.998 > 17 19 F 0.28462261768575 0.60803572640955 0.31797092321982 18.998 > 17 20 F 0.78462261768575 0.60803572640955 0.31797092321982 18.998 > 17 21 F 0.21537738231425 0.35803572640955 0.18202907678018 18.998 > 21 22 F 0.71537738231425 0.35803572640955 0.18202907678018 18.998 > 21 23 F 0.21537738231425 0.85803572640955 0.18202907678018 18.998 > 21 24 F 0.71537738231425 0.85803572640955 0.18202907678018 18.998 > 21 25 F 0.21537738231425 0.39196427359045 0.68202907678018 18.998 > 25 26 F 0.71537738231425 0.39196427359045 0.68202907678018 18.998 > 25 27 F 0.21537738231425 0.89196427359045 0.68202907678018 18.998 > 25 28 F 0.71537738231425 0.89196427359045 0.68202907678018 18.998 > 25 29 F 0.28462261768575 0.14196427359045 0.81797092321982 18.998 > 29 30 F 0.78462261768575 0.14196427359045 0.81797092321982 18.998 > 29 31 F 0.28462261768575 0.64196427359045 0.81797092321982 18.998 > 29 32 F 0.78462261768575 0.64196427359045 0.81797092321982 18.998 > 29 33 F 0.19683992257573 0.13282741778807 0.13607518223103 18.998 > 33 34 F 0.69683992257573 0.13282741778807 0.13607518223103 18.998 > 33 35 F 0.19683992257573 0.63282741778807 0.13607518223103 18.998 > 33 36 F 0.69683992257573 0.63282741778807 0.13607518223103 18.998 > 33 37 F 0.30316007742427 0.38282741778807 0.36392481776897 18.998 > 37 38 F 0.80316007742427 0.38282741778807 0.36392481776897 18.998 > 37 39 F 0.30316007742427 0.88282741778807 0.36392481776897 18.998 > 37 40 F 0.80316007742427 0.88282741778807 0.36392481776897 18.998 > 37 41 F 0.30316007742427 0.36717258221193 0.86392481776897 18.998 > 41 42 F 0.80316007742427 0.36717258221193 0.86392481776897 18.998 > 41 43 F 0.30316007742427 0.86717258221193 0.86392481776897 18.998 > 41 44 F 0.80316007742427 0.86717258221193 0.86392481776897 18.998 > 41 45 F 0.19683992257573 0.11717258221193 0.63607518223103 18.998 > 45 46 F 0.69683992257573 0.11717258221193 0.63607518223103 18.998 > 45 47 F 0.19683992257573 0.61717258221193 0.63607518223103 18.998 > 45 48 F 0.69683992257573 0.61717258221193 0.63607518223103 18.998 > 45 49 F 0.48986784255563 0.35777862497724 0.66652934997118 18.998 > 49 50 F 0.98986784255563 0.35777862497724 0.66652934997118 18.998 > 49 51 F 0.48986784255563 0.85777862497724 0.66652934997118 18.998 > 49 52 F 0.98986784255563 0.85777862497724 0.66652934997118 18.998 > 49 53 F 0.01013215744437 0.10777862497724 0.83347065002882 18.998 > 53 54 F 0.51013215744437 0.10777862497724 0.83347065002882 18.998 > 53 55 F 0.01013215744437 0.60777862497724 0.83347065002882 18.998 > 53 56 F 0.51013215744437 0.60777862497724 0.83347065002882 18.998 > 53 57 F 0.01013215744437 0.14222137502276 0.33347065002882 18.998 > 57 58 F 0.51013215744437 0.14222137502276 0.33347065002882 18.998 > 57 59 F 0.01013215744437 0.64222137502276 0.33347065002882 18.998 > 57 60 F 0.51013215744437 0.64222137502276 0.33347065002882 18.998 > 57 61 F 0.48986784255563 0.39222137502276 0.16652934997118 18.998 > 61 62 F 0.98986784255563 0.39222137502276 0.16652934997118 18.998 > 61 63 F 0.48986784255563 0.89222137502276 0.16652934997118 18.998 > 61 64 F 0.98986784255563 0.89222137502276 0.16652934997118 18.998 > 61 65 F 0.46834076321783 0.09267278431981 0.64793895062901 18.998 > 65 66 F 0.96834076321783 0.09267278431981 0.64793895062901 18.998 > 65 67 F 0.46834076321783 0.59267278431981 0.64793895062901 18.998 > 65 68 F 0.96834076321783 0.59267278431981 0.64793895062901 18.998 > 65 69 F 0.03165923678217 0.34267278431981 0.85206104937099 18.998 > 69 70 F 0.53165923678217 0.34267278431981 0.85206104937099 18.998 > 69 71 F 0.03165923678217 0.84267278431981 0.85206104937099 18.998 > 69 72 F 0.53165923678217 0.84267278431981 0.85206104937099 18.998 > 69 73 F 0.03165923678217 0.40732721568019 0.35206104937099 18.998 > 73 74 F 0.53165923678217 0.40732721568019 0.35206104937099 18.998 > 73 75 F 0.03165923678217 0.90732721568019 0.35206104937099 18.998 > 73 76 F 0.53165923678217 0.90732721568019 0.35206104937099 18.998 > 73 77 F 0.46834076321783 0.15732721568019 0.14793895062901 18.998 > 77 78 F 0.96834076321783 0.15732721568019 0.14793895062901 18.998 > 77 79 F 0.46834076321783 0.65732721568019 0.14793895062901 18.998 > 77 80 F 0.96834076321783 0.65732721568019 0.14793895062901 18.998 > 77 81 F 0.32819953704204 0.11338076379864 0.97626794536410 18.998 > 81 82 F 0.82819953704204 0.11338076379864 0.97626794536410 18.998 > 81 83 F 0.32819953704204 0.61338076379864 0.97626794536410 18.998 > 81 84 F 0.82819953704204 0.61338076379864 0.97626794536410 18.998 > 81 85 F 0.17180046295796 0.36338076379864 0.52373205463590 18.998 > 85 86 F 0.67180046295796 0.36338076379864 0.52373205463590 18.998 > 85 87 F 0.17180046295796 0.86338076379864 0.52373205463590 18.998 > 85 88 F 0.67180046295796 0.86338076379864 0.52373205463590 18.998 > 85 89 F 0.17180046295796 0.38661923620136 0.02373205463590 18.998 > 89 90 F 0.67180046295796 0.38661923620136 0.02373205463590 18.998 > 89 91 F 0.17180046295796 0.88661923620136 0.02373205463590 18.998 > 89 92 F 0.67180046295796 0.88661923620136 0.02373205463590 18.998 > 89 93 F 0.32819953704204 0.13661923620136 0.47626794536410 18.998 > 93 94 F 0.82819953704204 0.13661923620136 0.47626794536410 18.998 > 93 95 F 0.32819953704204 0.63661923620136 0.47626794536410 18.998 > 93 96 F 0.82819953704204 0.63661923620136 0.47626794536410 18.998 > 93 97 Na 0.33590911955552 0.25170795432102 0.59218363043272 22.990 > 97 98 Na 0.83590911955552 0.25170795432102 0.59218363043272 22.990 > 97 99 Na 0.33590911955552 0.75170795432102 0.59218363043272 22.990 > 97 100 Na 0.83590911955552 0.75170795432102 0.59218363043272 22.990 > 97 101 Na 0.16409088044448 0.00170795432102 0.90781636956728 22.990 > 101 102 Na 0.66409088044448 0.00170795432102 0.90781636956728 22.990 > 101 103 Na 0.16409088044448 0.50170795432102 0.90781636956728 22.990 > 101 104 Na 0.66409088044448 0.50170795432102 0.90781636956728 22.990 > 101 105 Na 0.16409088044448 0.24829204567898 0.40781636956728 22.990 > 105 106 Na 0.66409088044448 0.24829204567898 0.40781636956728 22.990 > 105 107 Na 0.16409088044448 0.74829204567898 0.40781636956728 22.990 > 105 108 Na 0.66409088044448 0.74829204567898 0.40781636956728 22.990 > 105 109 Na 0.33590911955552 0.49829204567898 0.09218363043272 22.990 > 109 110 Na 0.83590911955552 0.49829204567898 0.09218363043272 22.990 > 109 111 Na 0.33590911955552 0.99829204567898 0.09218363043272 22.990 > 109 112 Na 0.83590911955552 0.99829204567898 0.09218363043272 22.990 > 109 113 Na 0.37785139898095 0.26676304392904 0.25248174403940 22.990 > 113 114 Na 0.87785139898095 0.26676304392904 0.25248174403940 22.990 > 113 115 Na 0.37785139898095 0.76676304392904 0.25248174403940 22.990 > 113 116 Na 0.87785139898095 0.76676304392904 0.25248174403940 22.990 > 113 117 Na 0.12214860101905 0.01676304392904 0.24751825596060 22.990 > 117 118 Na 0.62214860101905 0.01676304392904 0.24751825596060 22.990 > 117 119 Na 0.12214860101905 0.51676304392904 0.24751825596060 22.990 > 117 120 Na 0.62214860101905 0.51676304392904 0.24751825596060 22.990 > 117 121 Na 0.12214860101905 0.23323695607096 0.74751825596060 22.990 > 121 122 Na 0.62214860101905 0.23323695607096 0.74751825596060 22.990 > 121 123 Na 0.12214860101905 0.73323695607096 0.74751825596060 22.990 > 121 124 Na 0.62214860101905 0.73323695607096 0.74751825596060 22.990 > 121 125 Na 0.37785139898095 0.48323695607096 0.75248174403940 22.990 > 125 126 Na 0.87785139898095 0.48323695607096 0.75248174403940 22.990 > 125 127 Na 0.37785139898095 0.98323695607096 0.75248174403940 22.990 > 125 128 Na 0.87785139898095 0.98323695607096 0.75248174403940 22.990 > 125 129 Zr 0.41269719545933 0.22561804521112 0.90125008675313 91.224 > 129 130 Zr 0.91269719545933 0.22561804521112 0.90125008675313 91.224 > 129 131 Zr 0.41269719545933 0.72561804521112 0.90125008675313 91.224 > 129 132 Zr 0.91269719545933 0.72561804521112 0.90125008675313 91.224 > 129 133 Zr 0.08730280454067 0.47561804521112 0.59874991324687 91.224 > 133 134 Zr 0.58730280454067 0.47561804521112 0.59874991324687 91.224 > 133 135 Zr 0.08730280454067 0.97561804521112 0.59874991324687 91.224 > 133 136 Zr 0.58730280454067 0.97561804521112 0.59874991324687 91.224 > 133 137 Zr 0.08730280454067 0.27438195478888 0.09874991324687 91.224 > 137 138 Zr 0.58730280454067 0.27438195478888 0.09874991324687 91.224 > 137 139 Zr 0.08730280454067 0.77438195478888 0.09874991324687 91.224 > 137 140 Zr 0.58730280454067 0.77438195478888 0.09874991324687 91.224 > 137 141 Zr 0.41269719545933 0.02438195478888 0.40125008675313 91.224 > 141 142 Zr 0.91269719545933 0.02438195478888 0.40125008675313 91.224 > 141 143 Zr 0.41269719545933 0.52438195478888 0.40125008675313 91.224 > 141 144 Zr 0.91269719545933 0.52438195478888 0.40125008675313 91.224 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1493811 0.0000000 0.0257266 0.0000000 2.1440208 0.0000000 0.0257266 0.0000000 2.1635681 -------------------------- Born effective charges -------------------------- 1 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 2 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 3 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 4 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 5 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 6 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 7 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 8 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 9 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 10 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 11 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 12 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 13 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 14 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 15 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 16 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 17 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 18 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 19 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 20 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 21 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 22 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 23 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 24 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 25 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 26 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 27 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 28 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 29 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 30 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 31 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 32 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 33 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 34 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 35 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 36 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 06:16:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:16:32]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.564652022262989 0.000000000000000 0.000000000000000 b 0.000000000000000 5.403504180000000 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): 1 F 0.13157756136364 0.17202062574241 0.48754281605134 18.998 2 F 0.86842243863636 0.67202062574241 0.01245718394866 18.998 3 F 0.86842243863636 0.82797937425759 0.51245718394866 18.998 4 F 0.13157756136364 0.32797937425759 0.98754281605134 18.998 5 F 0.56924523537150 0.21607145281910 0.31797092321982 18.998 6 F 0.43075476462850 0.71607145281910 0.18202907678018 18.998 7 F 0.43075476462850 0.78392854718090 0.68202907678018 18.998 8 F 0.56924523537150 0.28392854718090 0.81797092321982 18.998 9 F 0.39367984515146 0.26565483557614 0.13607518223103 18.998 10 F 0.60632015484854 0.76565483557614 0.36392481776897 18.998 11 F 0.60632015484854 0.73434516442386 0.86392481776897 18.998 12 F 0.39367984515146 0.23434516442386 0.63607518223103 18.998 13 F 0.97973568511126 0.71555724995447 0.66652934997118 18.998 14 F 0.02026431488874 0.21555724995447 0.83347065002882 18.998 15 F 0.02026431488874 0.28444275004553 0.33347065002882 18.998 16 F 0.97973568511126 0.78444275004553 0.16652934997118 18.998 17 F 0.93668152643567 0.18534556863962 0.64793895062901 18.998 18 F 0.06331847356433 0.68534556863962 0.85206104937099 18.998 19 F 0.06331847356433 0.81465443136038 0.35206104937099 18.998 20 F 0.93668152643567 0.31465443136038 0.14793895062901 18.998 21 F 0.65639907408409 0.22676152759728 0.97626794536410 18.998 22 F 0.34360092591592 0.72676152759728 0.52373205463590 18.998 23 F 0.34360092591592 0.77323847240272 0.02373205463590 18.998 24 F 0.65639907408409 0.27323847240272 0.47626794536410 18.998 25 Na 0.67181823911103 0.50341590864204 0.59218363043272 22.990 26 Na 0.32818176088897 0.00341590864204 0.90781636956728 22.990 27 Na 0.32818176088897 0.49658409135796 0.40781636956728 22.990 28 Na 0.67181823911103 0.99658409135796 0.09218363043272 22.990 29 Na 0.75570279796190 0.53352608785808 0.25248174403940 22.990 30 Na 0.24429720203810 0.03352608785808 0.24751825596060 22.990 31 Na 0.24429720203810 0.46647391214192 0.74751825596060 22.990 32 Na 0.75570279796190 0.96647391214192 0.75248174403940 22.990 33 Zr 0.82539439091866 0.45123609042224 0.90125008675313 91.224 34 Zr 0.17460560908134 0.95123609042224 0.59874991324687 91.224 35 Zr 0.17460560908134 0.54876390957776 0.09874991324687 91.224 36 Zr 0.82539439091866 0.04876390957776 0.40125008675313 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.129304044525979 0.000000000000000 0.000000000000000 b 0.000000000000000 10.807008359999999 0.000000000000000 c -1.579719196144099 0.000000000000000 15.988675430734624 Atomic positions (fractional): 1 F 0.06578878068182 0.08601031287121 0.48754281605134 18.998 > 1 2 F 0.56578878068182 0.08601031287121 0.48754281605134 18.998 > 1 3 F 0.06578878068182 0.58601031287121 0.48754281605134 18.998 > 1 4 F 0.56578878068182 0.58601031287121 0.48754281605134 18.998 > 1 5 F 0.43421121931818 0.33601031287121 0.01245718394866 18.998 > 5 6 F 0.93421121931818 0.33601031287121 0.01245718394866 18.998 > 5 7 F 0.43421121931818 0.83601031287121 0.01245718394866 18.998 > 5 8 F 0.93421121931818 0.83601031287121 0.01245718394866 18.998 > 5 9 F 0.43421121931818 0.41398968712879 0.51245718394866 18.998 > 9 10 F 0.93421121931818 0.41398968712879 0.51245718394866 18.998 > 9 11 F 0.43421121931818 0.91398968712879 0.51245718394866 18.998 > 9 12 F 0.93421121931818 0.91398968712879 0.51245718394866 18.998 > 9 13 F 0.06578878068182 0.16398968712879 0.98754281605134 18.998 > 13 14 F 0.56578878068182 0.16398968712879 0.98754281605134 18.998 > 13 15 F 0.06578878068182 0.66398968712879 0.98754281605134 18.998 > 13 16 F 0.56578878068182 0.66398968712879 0.98754281605134 18.998 > 13 17 F 0.28462261768575 0.10803572640955 0.31797092321982 18.998 > 17 18 F 0.78462261768575 0.10803572640955 0.31797092321982 18.998 > 17 19 F 0.28462261768575 0.60803572640955 0.31797092321982 18.998 > 17 20 F 0.78462261768575 0.60803572640955 0.31797092321982 18.998 > 17 21 F 0.21537738231425 0.35803572640955 0.18202907678018 18.998 > 21 22 F 0.71537738231425 0.35803572640955 0.18202907678018 18.998 > 21 23 F 0.21537738231425 0.85803572640955 0.18202907678018 18.998 > 21 24 F 0.71537738231425 0.85803572640955 0.18202907678018 18.998 > 21 25 F 0.21537738231425 0.39196427359045 0.68202907678018 18.998 > 25 26 F 0.71537738231425 0.39196427359045 0.68202907678018 18.998 > 25 27 F 0.21537738231425 0.89196427359045 0.68202907678018 18.998 > 25 28 F 0.71537738231425 0.89196427359045 0.68202907678018 18.998 > 25 29 F 0.28462261768575 0.14196427359045 0.81797092321982 18.998 > 29 30 F 0.78462261768575 0.14196427359045 0.81797092321982 18.998 > 29 31 F 0.28462261768575 0.64196427359045 0.81797092321982 18.998 > 29 32 F 0.78462261768575 0.64196427359045 0.81797092321982 18.998 > 29 33 F 0.19683992257573 0.13282741778807 0.13607518223103 18.998 > 33 34 F 0.69683992257573 0.13282741778807 0.13607518223103 18.998 > 33 35 F 0.19683992257573 0.63282741778807 0.13607518223103 18.998 > 33 36 F 0.69683992257573 0.63282741778807 0.13607518223103 18.998 > 33 37 F 0.30316007742427 0.38282741778807 0.36392481776897 18.998 > 37 38 F 0.80316007742427 0.38282741778807 0.36392481776897 18.998 > 37 39 F 0.30316007742427 0.88282741778807 0.36392481776897 18.998 > 37 40 F 0.80316007742427 0.88282741778807 0.36392481776897 18.998 > 37 41 F 0.30316007742427 0.36717258221193 0.86392481776897 18.998 > 41 42 F 0.80316007742427 0.36717258221193 0.86392481776897 18.998 > 41 43 F 0.30316007742427 0.86717258221193 0.86392481776897 18.998 > 41 44 F 0.80316007742427 0.86717258221193 0.86392481776897 18.998 > 41 45 F 0.19683992257573 0.11717258221193 0.63607518223103 18.998 > 45 46 F 0.69683992257573 0.11717258221193 0.63607518223103 18.998 > 45 47 F 0.19683992257573 0.61717258221193 0.63607518223103 18.998 > 45 48 F 0.69683992257573 0.61717258221193 0.63607518223103 18.998 > 45 49 F 0.48986784255563 0.35777862497724 0.66652934997118 18.998 > 49 50 F 0.98986784255563 0.35777862497724 0.66652934997118 18.998 > 49 51 F 0.48986784255563 0.85777862497724 0.66652934997118 18.998 > 49 52 F 0.98986784255563 0.85777862497724 0.66652934997118 18.998 > 49 53 F 0.01013215744437 0.10777862497724 0.83347065002882 18.998 > 53 54 F 0.51013215744437 0.10777862497724 0.83347065002882 18.998 > 53 55 F 0.01013215744437 0.60777862497724 0.83347065002882 18.998 > 53 56 F 0.51013215744437 0.60777862497724 0.83347065002882 18.998 > 53 57 F 0.01013215744437 0.14222137502276 0.33347065002882 18.998 > 57 58 F 0.51013215744437 0.14222137502276 0.33347065002882 18.998 > 57 59 F 0.01013215744437 0.64222137502276 0.33347065002882 18.998 > 57 60 F 0.51013215744437 0.64222137502276 0.33347065002882 18.998 > 57 61 F 0.48986784255563 0.39222137502276 0.16652934997118 18.998 > 61 62 F 0.98986784255563 0.39222137502276 0.16652934997118 18.998 > 61 63 F 0.48986784255563 0.89222137502276 0.16652934997118 18.998 > 61 64 F 0.98986784255563 0.89222137502276 0.16652934997118 18.998 > 61 65 F 0.46834076321783 0.09267278431981 0.64793895062901 18.998 > 65 66 F 0.96834076321783 0.09267278431981 0.64793895062901 18.998 > 65 67 F 0.46834076321783 0.59267278431981 0.64793895062901 18.998 > 65 68 F 0.96834076321783 0.59267278431981 0.64793895062901 18.998 > 65 69 F 0.03165923678217 0.34267278431981 0.85206104937099 18.998 > 69 70 F 0.53165923678217 0.34267278431981 0.85206104937099 18.998 > 69 71 F 0.03165923678217 0.84267278431981 0.85206104937099 18.998 > 69 72 F 0.53165923678217 0.84267278431981 0.85206104937099 18.998 > 69 73 F 0.03165923678217 0.40732721568019 0.35206104937099 18.998 > 73 74 F 0.53165923678217 0.40732721568019 0.35206104937099 18.998 > 73 75 F 0.03165923678217 0.90732721568019 0.35206104937099 18.998 > 73 76 F 0.53165923678217 0.90732721568019 0.35206104937099 18.998 > 73 77 F 0.46834076321783 0.15732721568019 0.14793895062901 18.998 > 77 78 F 0.96834076321783 0.15732721568019 0.14793895062901 18.998 > 77 79 F 0.46834076321783 0.65732721568019 0.14793895062901 18.998 > 77 80 F 0.96834076321783 0.65732721568019 0.14793895062901 18.998 > 77 81 F 0.32819953704204 0.11338076379864 0.97626794536410 18.998 > 81 82 F 0.82819953704204 0.11338076379864 0.97626794536410 18.998 > 81 83 F 0.32819953704204 0.61338076379864 0.97626794536410 18.998 > 81 84 F 0.82819953704204 0.61338076379864 0.97626794536410 18.998 > 81 85 F 0.17180046295796 0.36338076379864 0.52373205463590 18.998 > 85 86 F 0.67180046295796 0.36338076379864 0.52373205463590 18.998 > 85 87 F 0.17180046295796 0.86338076379864 0.52373205463590 18.998 > 85 88 F 0.67180046295796 0.86338076379864 0.52373205463590 18.998 > 85 89 F 0.17180046295796 0.38661923620136 0.02373205463590 18.998 > 89 90 F 0.67180046295796 0.38661923620136 0.02373205463590 18.998 > 89 91 F 0.17180046295796 0.88661923620136 0.02373205463590 18.998 > 89 92 F 0.67180046295796 0.88661923620136 0.02373205463590 18.998 > 89 93 F 0.32819953704204 0.13661923620136 0.47626794536410 18.998 > 93 94 F 0.82819953704204 0.13661923620136 0.47626794536410 18.998 > 93 95 F 0.32819953704204 0.63661923620136 0.47626794536410 18.998 > 93 96 F 0.82819953704204 0.63661923620136 0.47626794536410 18.998 > 93 97 Na 0.33590911955552 0.25170795432102 0.59218363043272 22.990 > 97 98 Na 0.83590911955552 0.25170795432102 0.59218363043272 22.990 > 97 99 Na 0.33590911955552 0.75170795432102 0.59218363043272 22.990 > 97 100 Na 0.83590911955552 0.75170795432102 0.59218363043272 22.990 > 97 101 Na 0.16409088044448 0.00170795432102 0.90781636956728 22.990 > 101 102 Na 0.66409088044448 0.00170795432102 0.90781636956728 22.990 > 101 103 Na 0.16409088044448 0.50170795432102 0.90781636956728 22.990 > 101 104 Na 0.66409088044448 0.50170795432102 0.90781636956728 22.990 > 101 105 Na 0.16409088044448 0.24829204567898 0.40781636956728 22.990 > 105 106 Na 0.66409088044448 0.24829204567898 0.40781636956728 22.990 > 105 107 Na 0.16409088044448 0.74829204567898 0.40781636956728 22.990 > 105 108 Na 0.66409088044448 0.74829204567898 0.40781636956728 22.990 > 105 109 Na 0.33590911955552 0.49829204567898 0.09218363043272 22.990 > 109 110 Na 0.83590911955552 0.49829204567898 0.09218363043272 22.990 > 109 111 Na 0.33590911955552 0.99829204567898 0.09218363043272 22.990 > 109 112 Na 0.83590911955552 0.99829204567898 0.09218363043272 22.990 > 109 113 Na 0.37785139898095 0.26676304392904 0.25248174403940 22.990 > 113 114 Na 0.87785139898095 0.26676304392904 0.25248174403940 22.990 > 113 115 Na 0.37785139898095 0.76676304392904 0.25248174403940 22.990 > 113 116 Na 0.87785139898095 0.76676304392904 0.25248174403940 22.990 > 113 117 Na 0.12214860101905 0.01676304392904 0.24751825596060 22.990 > 117 118 Na 0.62214860101905 0.01676304392904 0.24751825596060 22.990 > 117 119 Na 0.12214860101905 0.51676304392904 0.24751825596060 22.990 > 117 120 Na 0.62214860101905 0.51676304392904 0.24751825596060 22.990 > 117 121 Na 0.12214860101905 0.23323695607096 0.74751825596060 22.990 > 121 122 Na 0.62214860101905 0.23323695607096 0.74751825596060 22.990 > 121 123 Na 0.12214860101905 0.73323695607096 0.74751825596060 22.990 > 121 124 Na 0.62214860101905 0.73323695607096 0.74751825596060 22.990 > 121 125 Na 0.37785139898095 0.48323695607096 0.75248174403940 22.990 > 125 126 Na 0.87785139898095 0.48323695607096 0.75248174403940 22.990 > 125 127 Na 0.37785139898095 0.98323695607096 0.75248174403940 22.990 > 125 128 Na 0.87785139898095 0.98323695607096 0.75248174403940 22.990 > 125 129 Zr 0.41269719545933 0.22561804521112 0.90125008675313 91.224 > 129 130 Zr 0.91269719545933 0.22561804521112 0.90125008675313 91.224 > 129 131 Zr 0.41269719545933 0.72561804521112 0.90125008675313 91.224 > 129 132 Zr 0.91269719545933 0.72561804521112 0.90125008675313 91.224 > 129 133 Zr 0.08730280454067 0.47561804521112 0.59874991324687 91.224 > 133 134 Zr 0.58730280454067 0.47561804521112 0.59874991324687 91.224 > 133 135 Zr 0.08730280454067 0.97561804521112 0.59874991324687 91.224 > 133 136 Zr 0.58730280454067 0.97561804521112 0.59874991324687 91.224 > 133 137 Zr 0.08730280454067 0.27438195478888 0.09874991324687 91.224 > 137 138 Zr 0.58730280454067 0.27438195478888 0.09874991324687 91.224 > 137 139 Zr 0.08730280454067 0.77438195478888 0.09874991324687 91.224 > 137 140 Zr 0.58730280454067 0.77438195478888 0.09874991324687 91.224 > 137 141 Zr 0.41269719545933 0.02438195478888 0.40125008675313 91.224 > 141 142 Zr 0.91269719545933 0.02438195478888 0.40125008675313 91.224 > 141 143 Zr 0.41269719545933 0.52438195478888 0.40125008675313 91.224 > 141 144 Zr 0.91269719545933 0.52438195478888 0.40125008675313 91.224 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1493811 0.0000000 0.0257266 0.0000000 2.1440208 0.0000000 0.0257266 0.0000000 2.1635681 -------------------------- Born effective charges -------------------------- 1 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 2 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 3 F -0.9326836 -0.0898568 -0.4308085 -0.0787779 -0.8170833 0.2717325 -0.3967585 0.2368861 -1.5080503 4 F -0.9326836 0.0898568 -0.4308085 0.0787779 -0.8170833 -0.2717325 -0.3967585 -0.2368861 -1.5080503 5 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 6 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 7 F -1.1387212 0.2496322 -0.4191673 0.2536136 -0.9187120 0.2933221 -0.4177591 0.2867289 -1.1583678 8 F -1.1387212 -0.2496322 -0.4191673 -0.2536136 -0.9187120 -0.2933221 -0.4177591 -0.2867289 -1.1583678 9 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 10 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 11 F -1.0756840 0.4874710 -0.2073459 0.4335031 -1.3092993 0.2796820 -0.1642156 0.2528736 -0.7883840 12 F -1.0756840 -0.4874710 -0.2073459 -0.4335031 -1.3092993 -0.2796820 -0.1642156 -0.2528736 -0.7883840 13 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 14 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 15 F -1.0215726 -0.2810406 0.2921592 -0.3246756 -1.1009125 0.3702816 0.2706383 0.3097339 -1.0224298 16 F -1.0215726 0.2810406 0.2921592 0.3246756 -1.1009125 -0.3702816 0.2706383 -0.3097339 -1.0224298 17 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 18 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 19 F -1.1740074 0.3957817 0.2783357 0.4141983 -1.1258525 -0.2669947 0.2710284 -0.2327084 -0.9405135 20 F -1.1740074 -0.3957817 0.2783357 -0.4141983 -1.1258525 0.2669947 0.2710284 0.2327084 -0.9405135 21 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 22 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 23 F -1.0456261 -0.4274626 0.3323545 -0.3958560 -1.1020884 0.3622765 0.2775385 0.3634143 -1.0250959 24 F -1.0456261 0.4274626 0.3323545 0.3958560 -1.1020884 -0.3622765 0.2775385 -0.3634143 -1.0250959 25 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 26 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 27 Na 1.2182583 -0.0366465 -0.0257495 0.0146541 1.2750332 -0.0021840 -0.0387184 0.0312664 0.9431313 28 Na 1.2182583 0.0366465 -0.0257495 -0.0146541 1.2750332 0.0021840 -0.0387184 -0.0312664 0.9431313 29 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 30 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 31 Na 1.0270520 -0.0201841 -0.0029279 -0.0117865 1.0374032 0.0106602 0.0004065 -0.0482688 1.2854230 32 Na 1.0270520 0.0201841 -0.0029279 0.0117865 1.0374032 -0.0106602 0.0004065 0.0482688 1.2854230 33 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 34 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 35 Zr 4.1429846 0.1991431 0.1831496 0.2329742 4.0615115 0.0307873 0.1978399 0.0118265 4.2142869 36 Zr 4.1429846 -0.1991431 0.1831496 -0.2329742 4.0615115 -0.0307873 0.1978399 -0.0118265 4.2142869 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 3 ] 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: 0.53, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.819 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 9.974 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.524 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 14.430 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.610 ( 0.000 0.000 0.000) 0.000 14.760 ( 0.000 0.000 0.000) 0.000 15.684 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.117 ( 0.000 0.000 0.000) 0.000 16.610 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 17.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 18.500 0.000 13.977) 23.186 0.484 ( 23.683 0.000 5.261) 24.260 0.932 ( 44.022 0.000 5.422) 44.354 1.181 ( 16.821 0.000 -9.095) 19.123 1.337 ( 4.851 0.000 -6.034) 7.742 1.338 ( 24.432 0.000 3.964) 24.752 1.559 ( 4.713 0.000 7.296) 8.685 1.658 ( 11.463 0.000 0.756) 11.487 1.794 ( 10.478 0.000 27.852) 29.758 1.942 ( 10.654 0.000 1.232) 10.725 2.087 ( 6.541 0.000 -0.742) 6.583 2.160 ( 14.563 0.000 1.976) 14.696 2.368 ( -2.114 0.000 -7.772) 8.055 2.421 ( 1.421 0.000 -8.518) 8.635 2.448 ( 2.203 0.000 3.002) 3.724 2.541 ( 1.809 0.000 -2.512) 3.096 2.834 ( 3.730 0.000 -0.436) 3.755 3.182 ( 0.623 0.000 -7.563) 7.588 3.422 ( 3.905 0.000 5.188) 6.493 3.489 ( 7.116 0.000 5.170) 8.796 3.553 ( 2.052 0.000 1.109) 2.332 3.818 ( -2.257 0.000 -4.787) 5.293 3.899 ( 3.527 0.000 -12.631) 13.114 3.920 ( 2.359 0.000 6.798) 7.196 4.094 ( -0.503 0.000 -1.899) 1.965 4.280 ( -7.153 0.000 -4.327) 8.360 4.342 ( -3.996 0.000 -0.395) 4.016 4.484 ( -2.335 0.000 9.070) 9.366 4.514 ( -7.790 0.000 3.861) 8.695 4.597 ( -3.302 0.000 -0.263) 3.312 4.733 ( 1.624 0.000 -1.215) 2.029 4.759 ( -2.785 0.000 -1.457) 3.143 4.815 ( 1.483 0.000 -0.423) 1.542 4.931 ( 7.066 0.000 3.728) 7.989 4.982 ( 1.122 0.000 -7.617) 7.699 5.062 ( 5.096 0.000 0.657) 5.138 5.067 ( 2.875 0.000 2.230) 3.638 5.224 ( -0.055 0.000 0.070) 0.089 5.232 ( 1.799 0.000 -1.529) 2.361 5.263 ( 6.610 0.000 2.034) 6.916 5.389 ( 8.641 0.000 1.906) 8.849 5.439 ( 1.535 0.000 -1.586) 2.208 5.525 ( -2.157 0.000 3.571) 4.172 5.770 ( 2.864 0.000 0.034) 2.865 5.781 ( -1.956 0.000 -8.160) 8.391 5.868 ( 0.774 0.000 -5.680) 5.732 5.908 ( -2.005 0.000 8.710) 8.938 6.099 ( 5.741 0.000 -5.633) 8.044 6.212 ( 2.545 0.000 -14.089) 14.317 6.219 ( -1.992 0.000 1.844) 2.714 6.247 ( -0.351 0.000 -9.056) 9.063 6.335 ( -3.913 0.000 2.349) 4.564 6.555 ( -1.497 0.000 14.180) 14.259 6.676 ( -8.816 0.000 -3.735) 9.574 6.698 ( 8.218 0.000 11.665) 14.269 6.931 ( -2.132 0.000 -1.243) 2.467 6.959 ( -1.450 0.000 -1.947) 2.427 7.220 ( 7.638 0.000 1.882) 7.866 7.357 ( -3.423 0.000 -4.950) 6.018 7.712 ( -1.782 0.000 2.387) 2.979 7.735 ( 1.828 0.000 3.024) 3.534 7.758 ( -1.799 0.000 -1.630) 2.427 8.036 ( 0.850 0.000 1.388) 1.627 8.159 ( 2.204 0.000 -1.228) 2.523 8.276 ( 0.091 0.000 1.939) 1.942 8.407 ( 0.624 0.000 -3.598) 3.651 8.446 ( 2.127 0.000 4.430) 4.914 8.580 ( -4.573 0.000 -1.879) 4.944 8.602 ( -2.662 0.000 -0.928) 2.820 8.730 ( -4.040 0.000 -2.572) 4.789 8.905 ( -4.527 0.000 22.287) 22.742 8.978 ( 5.027 0.000 -3.172) 5.944 9.189 ( -2.594 0.000 -3.756) 4.565 9.241 ( -0.411 0.000 -0.821) 0.918 9.305 ( 2.170 0.000 -4.530) 5.023 9.399 ( -9.626 0.000 2.952) 10.069 9.760 ( -0.105 0.000 0.972) 0.978 9.906 ( 0.776 0.000 0.265) 0.820 10.019 ( 2.953 0.000 1.214) 3.193 10.100 ( -0.090 0.000 -7.398) 7.399 10.366 ( 0.265 0.000 -2.273) 2.289 10.391 ( -0.400 0.000 10.192) 10.200 10.961 ( 1.439 0.000 0.485) 1.518 11.052 ( -1.079 0.000 -2.474) 2.699 11.275 ( 4.971 0.000 3.059) 5.836 11.525 ( 0.952 0.000 -6.388) 6.458 11.606 ( 2.098 0.000 4.435) 4.906 11.848 ( 1.204 0.000 -0.217) 1.224 12.424 ( -3.547 0.000 14.239) 14.674 12.456 ( -2.927 0.000 -3.177) 4.320 12.881 ( 1.011 0.000 -0.337) 1.066 12.882 ( 0.641 0.000 0.327) 0.720 13.619 ( -12.597 0.000 -4.521) 13.384 13.713 ( -1.910 0.000 -1.496) 2.426 13.788 ( -6.560 0.000 31.340) 32.019 14.265 ( 7.667 0.000 -12.471) 14.639 14.478 ( -4.226 0.000 4.721) 6.336 14.631 ( 6.777 0.000 0.337) 6.785 14.916 ( 9.604 0.000 3.302) 10.156 15.604 ( -5.282 0.000 13.962) 14.928 16.046 ( -5.468 0.000 -1.988) 5.818 16.074 ( -5.136 0.000 6.686) 8.431 16.447 ( -0.090 0.000 -5.112) 5.113 16.565 ( -4.607 0.000 -1.351) 4.801 16.802 ( -0.899 0.000 -1.386) 1.652 16.828 ( -0.280 0.000 0.431) 0.514 17.336 ( -1.450 0.000 9.179) 9.293 17.342 ( 2.703 0.000 -40.746) 40.836 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 20.698 0.000 11.910) 23.880 0.948 ( 21.130 0.000 5.409) 21.812 1.444 ( 8.349 0.000 -7.826) 11.443 1.496 ( 14.897 0.000 -5.711) 15.954 1.666 ( 12.648 0.000 3.835) 13.217 1.783 ( 28.318 0.000 2.922) 28.468 1.855 ( 22.153 0.000 -5.690) 22.872 1.902 ( 10.709 0.000 4.764) 11.721 2.125 ( 17.348 0.000 14.737) 22.763 2.208 ( 14.993 0.000 2.675) 15.230 2.261 ( 10.080 0.000 -1.060) 10.135 2.385 ( 8.018 0.000 -12.789) 15.094 2.436 ( 3.889 0.000 -10.025) 10.753 2.473 ( 11.478 0.000 0.242) 11.480 2.541 ( 5.416 0.000 6.712) 8.625 2.623 ( 9.451 0.000 -0.886) 9.493 2.928 ( 5.020 0.000 4.684) 6.866 3.206 ( 3.138 0.000 -6.993) 7.665 3.493 ( 1.947 0.000 2.295) 3.009 3.568 ( -0.735 0.000 -1.210) 1.416 3.634 ( 1.847 0.000 -1.538) 2.404 3.835 ( 7.991 0.000 -0.345) 7.999 3.904 ( -1.303 0.000 -5.276) 5.435 3.976 ( 0.492 0.000 2.839) 2.881 4.123 ( 4.444 0.000 1.710) 4.761 4.141 ( -5.873 0.000 -2.532) 6.396 4.240 ( -4.593 0.000 1.631) 4.874 4.359 ( -7.047 0.000 2.213) 7.386 4.505 ( 3.226 0.000 5.170) 6.094 4.530 ( -3.395 0.000 4.288) 5.469 4.680 ( -4.448 0.000 1.047) 4.570 4.775 ( 3.070 0.000 -0.486) 3.108 4.876 ( 4.340 0.000 -1.310) 4.533 5.004 ( 2.893 0.000 -8.967) 9.422 5.076 ( 5.014 0.000 -0.376) 5.028 5.114 ( 0.720 0.000 -1.686) 1.834 5.144 ( 2.686 0.000 0.530) 2.738 5.207 ( 0.371 0.000 1.532) 1.576 5.249 ( 0.911 0.000 0.865) 1.256 5.400 ( 5.961 0.000 1.103) 6.062 5.482 ( 3.013 0.000 -0.784) 3.114 5.540 ( 3.066 0.000 0.424) 3.095 5.630 ( 12.472 0.000 5.261) 13.536 5.718 ( -3.151 0.000 -3.284) 4.551 5.834 ( 3.369 0.000 0.121) 3.371 5.863 ( -0.628 0.000 0.698) 0.938 5.939 ( 3.168 0.000 9.211) 9.741 6.107 ( -3.827 0.000 -4.257) 5.724 6.124 ( -4.083 0.000 -12.209) 12.873 6.243 ( -5.897 0.000 -0.485) 5.917 6.257 ( 4.783 0.000 3.925) 6.187 6.317 ( 3.939 0.000 -10.551) 11.262 6.509 ( -5.822 0.000 -5.348) 7.906 6.540 ( -2.172 0.000 12.835) 13.017 6.857 ( 2.974 0.000 4.594) 5.473 6.873 ( -4.106 0.000 0.649) 4.157 6.942 ( 2.031 0.000 5.324) 5.699 7.273 ( -4.076 0.000 -2.251) 4.657 7.315 ( 1.397 0.000 0.246) 1.418 7.635 ( -7.395 0.000 1.235) 7.497 7.689 ( -3.816 0.000 -3.742) 5.344 7.766 ( 0.427 0.000 1.996) 2.042 8.068 ( 1.904 0.000 2.550) 3.183 8.183 ( -0.973 0.000 -3.906) 4.025 8.301 ( 1.806 0.000 3.805) 4.212 8.404 ( -1.334 0.000 -0.288) 1.365 8.490 ( -1.624 0.000 -3.633) 3.980 8.520 ( 4.357 0.000 3.954) 5.884 8.549 ( -1.183 0.000 -2.538) 2.800 8.684 ( -0.050 0.000 -2.313) 2.314 8.858 ( -2.410 0.000 6.782) 7.197 9.027 ( -0.532 0.000 -3.634) 3.673 9.128 ( -2.989 0.000 -1.402) 3.301 9.186 ( -4.395 0.000 -1.805) 4.752 9.268 ( -2.619 0.000 3.829) 4.639 9.324 ( 0.279 0.000 -1.255) 1.285 9.780 ( 1.803 0.000 2.677) 3.228 9.924 ( 0.856 0.000 0.453) 0.969 10.067 ( 1.420 0.000 1.843) 2.326 10.074 ( -1.315 0.000 -5.551) 5.704 10.363 ( -0.039 0.000 -3.316) 3.316 10.408 ( 0.451 0.000 5.901) 5.919 10.996 ( 1.733 0.000 0.727) 1.879 11.038 ( 0.055 0.000 -1.972) 1.973 11.417 ( 8.640 0.000 3.560) 9.344 11.543 ( 2.352 0.000 -7.464) 7.826 11.674 ( 3.769 0.000 4.189) 5.635 11.893 ( 3.328 0.000 0.515) 3.368 12.378 ( -2.764 0.000 6.980) 7.507 12.383 ( -3.126 0.000 -5.244) 6.104 12.898 ( 0.687 0.000 0.774) 1.035 12.905 ( 1.332 0.000 -0.816) 1.563 13.384 ( -10.096 0.000 -5.584) 11.537 13.653 ( -3.521 0.000 -2.561) 4.354 13.696 ( -6.802 0.000 14.111) 15.665 14.119 ( -12.586 0.000 -5.806) 13.860 14.594 ( 7.447 0.000 2.804) 7.958 14.808 ( 10.394 0.000 -1.879) 10.563 15.076 ( 4.593 0.000 0.500) 4.620 15.501 ( -6.425 0.000 4.138) 7.642 15.934 ( -3.525 0.000 -6.740) 7.606 15.937 ( -10.215 0.000 11.957) 15.726 16.431 ( -0.575 0.000 -3.091) 3.144 16.440 ( -6.779 0.000 0.614) 6.807 16.790 ( 0.211 0.000 -0.773) 0.801 16.828 ( 0.106 0.000 -0.270) 0.290 17.305 ( -0.366 0.000 -20.461) 20.464 17.328 ( -1.331 0.000 12.283) 12.354 ======================= Grid point 3 (4/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 19.431 0.000 8.824) 21.340 1.322 ( 14.784 0.000 3.477) 15.188 1.594 ( 7.372 0.000 -4.464) 8.618 1.741 ( 9.962 0.000 -0.076) 9.962 1.811 ( 4.295 0.000 2.022) 4.747 1.936 ( 0.706 0.000 -12.342) 12.362 2.264 ( 12.821 0.000 0.210) 12.822 2.266 ( 16.804 0.000 -0.823) 16.824 2.400 ( 5.459 0.000 -1.735) 5.729 2.420 ( 9.808 0.000 0.996) 9.859 2.530 ( 9.188 0.000 -0.739) 9.218 2.548 ( 9.711 0.000 0.917) 9.754 2.647 ( 13.555 0.000 5.498) 14.627 2.666 ( 8.314 0.000 2.784) 8.768 2.680 ( 12.910 0.000 -5.995) 14.234 2.849 ( 9.229 0.000 0.843) 9.267 3.051 ( 6.012 0.000 9.763) 11.466 3.280 ( 4.556 0.000 1.056) 4.677 3.487 ( -6.542 0.000 -1.890) 6.810 3.499 ( -1.194 0.000 -1.128) 1.643 3.579 ( -4.930 0.000 -7.742) 9.179 3.869 ( 0.506 0.000 -6.195) 6.215 3.978 ( 0.352 0.000 1.362) 1.407 4.028 ( 5.514 0.000 -4.637) 7.205 4.065 ( 0.613 0.000 0.589) 0.850 4.234 ( 4.571 0.000 3.250) 5.609 4.236 ( 4.777 0.000 4.180) 6.348 4.256 ( -3.725 0.000 4.290) 5.682 4.482 ( -2.412 0.000 1.786) 3.001 4.582 ( 0.065 0.000 -0.721) 0.724 4.631 ( 2.282 0.000 6.539) 6.925 4.843 ( 2.890 0.000 2.445) 3.786 4.957 ( 4.468 0.000 -13.280) 14.012 5.077 ( 4.603 0.000 -0.735) 4.661 5.097 ( -2.896 0.000 -0.009) 2.896 5.104 ( 0.846 0.000 -1.000) 1.310 5.160 ( 1.985 0.000 -2.152) 2.927 5.272 ( 3.282 0.000 2.223) 3.964 5.284 ( 1.532 0.000 2.667) 3.076 5.512 ( 4.083 0.000 2.857) 4.983 5.549 ( 4.306 0.000 -4.033) 5.900 5.615 ( 2.758 0.000 0.438) 2.793 5.654 ( -1.958 0.000 0.388) 1.996 5.846 ( -1.473 0.000 2.215) 2.660 5.853 ( 8.372 0.000 4.266) 9.396 5.902 ( 3.187 0.000 2.145) 3.842 5.976 ( -4.349 0.000 -3.749) 5.742 6.020 ( -4.328 0.000 -6.681) 7.961 6.067 ( 3.210 0.000 9.764) 10.278 6.092 ( -8.202 0.000 -2.546) 8.588 6.334 ( 0.464 0.000 -9.895) 9.905 6.338 ( 2.422 0.000 3.391) 4.167 6.442 ( -1.200 0.000 -5.780) 5.903 6.546 ( 1.022 0.000 6.309) 6.391 6.790 ( -2.766 0.000 1.537) 3.164 6.834 ( -3.177 0.000 -0.030) 3.177 7.033 ( 1.463 0.000 5.347) 5.544 7.211 ( -0.262 0.000 3.561) 3.570 7.295 ( -2.854 0.000 1.464) 3.207 7.448 ( -9.519 0.000 -0.233) 9.522 7.593 ( -5.075 0.000 -6.149) 7.973 7.754 ( -1.795 0.000 -0.336) 1.826 8.095 ( -5.164 0.000 -5.636) 7.645 8.117 ( 2.301 0.000 2.310) 3.261 8.337 ( -4.692 0.000 1.225) 4.849 8.338 ( 0.384 0.000 1.884) 1.923 8.529 ( 5.150 0.000 -0.767) 5.207 8.564 ( 2.498 0.000 -2.235) 3.352 8.628 ( 5.332 0.000 2.769) 6.008 8.713 ( 2.329 0.000 -0.630) 2.412 8.851 ( 0.769 0.000 1.131) 1.368 8.960 ( -3.748 0.000 0.263) 3.757 9.065 ( -3.229 0.000 0.361) 3.249 9.139 ( -0.749 0.000 -4.883) 4.940 9.232 ( -2.283 0.000 2.404) 3.315 9.315 ( -0.823 0.000 0.082) 0.827 9.840 ( 3.316 0.000 3.877) 5.102 9.939 ( 0.479 0.000 1.216) 1.307 10.027 ( -2.125 0.000 -5.216) 5.632 10.082 ( -0.161 0.000 1.222) 1.232 10.351 ( -0.456 0.000 -2.993) 3.027 10.430 ( 0.713 0.000 3.548) 3.619 11.025 ( 0.985 0.000 0.613) 1.160 11.039 ( 0.192 0.000 -1.040) 1.057 11.585 ( 2.892 0.000 -5.817) 6.496 11.632 ( 11.905 0.000 3.342) 12.365 11.763 ( 4.102 0.000 2.645) 4.881 11.971 ( 3.678 0.000 2.095) 4.233 12.314 ( -2.900 0.000 -5.953) 6.621 12.352 ( -0.886 0.000 3.748) 3.851 12.907 ( -0.045 0.000 1.210) 1.211 12.919 ( -0.126 0.000 -1.590) 1.595 13.199 ( -6.816 0.000 -3.958) 7.882 13.572 ( -3.671 0.000 -2.788) 4.610 13.590 ( -5.556 0.000 7.868) 9.632 13.851 ( -12.579 0.000 -1.427) 12.659 14.712 ( 4.128 0.000 2.755) 4.963 15.015 ( 10.508 0.000 -4.671) 11.499 15.077 ( -3.807 0.000 0.705) 3.872 15.383 ( -5.170 0.000 -1.111) 5.288 15.730 ( -12.514 0.000 14.513) 19.163 15.902 ( 1.482 0.000 -10.601) 10.704 16.328 ( -4.386 0.000 3.275) 5.474 16.416 ( -0.352 0.000 -2.021) 2.051 16.809 ( 1.457 0.000 1.016) 1.776 16.826 ( -0.215 0.000 -0.877) 0.903 17.252 ( -1.479 0.000 -12.376) 12.464 17.330 ( -0.688 0.000 9.607) 9.632 ======================= Grid point 4 (5/70) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 5.539 0.000 0.674) 5.580 1.554 ( 10.326 0.000 3.345) 10.855 1.711 ( 5.224 0.000 0.609) 5.259 1.832 ( -2.605 0.000 -1.119) 2.836 1.880 ( 3.023 0.000 8.627) 9.142 1.920 ( 0.260 0.000 -12.799) 12.801 2.370 ( 1.969 0.000 -3.617) 4.119 2.485 ( 6.017 0.000 -1.439) 6.187 2.529 ( 1.189 0.000 0.475) 1.281 2.537 ( 4.379 0.000 2.048) 4.834 2.667 ( 4.275 0.000 -1.788) 4.634 2.695 ( 5.449 0.000 3.040) 6.240 2.775 ( -0.353 0.000 0.726) 0.807 2.781 ( 4.606 0.000 2.512) 5.247 2.854 ( 2.758 0.000 -6.128) 6.720 3.068 ( 9.169 0.000 2.387) 9.474 3.205 ( 6.524 0.000 9.722) 11.708 3.328 ( -0.791 0.000 3.856) 3.936 3.347 ( -5.268 0.000 0.698) 5.314 3.443 ( -5.800 0.000 -10.205) 11.737 3.468 ( -0.949 0.000 -2.078) 2.285 3.921 ( 4.067 0.000 -2.788) 4.931 3.994 ( 0.359 0.000 0.627) 0.722 4.068 ( 1.751 0.000 2.362) 2.940 4.097 ( 0.539 0.000 -3.597) 3.637 4.207 ( -1.270 0.000 2.247) 2.582 4.317 ( 2.279 0.000 2.728) 3.555 4.373 ( 4.925 0.000 0.273) 4.933 4.433 ( -2.074 0.000 -1.245) 2.420 4.553 ( -1.209 0.000 0.920) 1.519 4.720 ( 3.062 0.000 2.375) 3.875 4.878 ( 0.325 0.000 1.157) 1.202 5.003 ( 2.434 0.000 -8.843) 9.172 5.033 ( -2.407 0.000 -0.055) 2.408 5.102 ( 0.976 0.000 -1.353) 1.668 5.197 ( 1.387 0.000 -0.041) 1.387 5.211 ( 4.504 0.000 3.228) 5.541 5.308 ( 0.752 0.000 2.308) 2.427 5.321 ( 1.294 0.000 0.335) 1.337 5.560 ( 0.910 0.000 0.796) 1.209 5.600 ( -0.808 0.000 -0.745) 1.099 5.622 ( 2.597 0.000 -2.244) 3.432 5.636 ( -3.928 0.000 2.093) 4.451 5.842 ( 2.266 0.000 1.757) 2.867 5.875 ( -3.134 0.000 -0.559) 3.183 5.932 ( -3.675 0.000 -4.960) 6.173 5.967 ( -2.898 0.000 -0.278) 2.911 5.975 ( 3.137 0.000 4.744) 5.687 5.985 ( 3.691 0.000 -2.151) 4.271 6.132 ( 1.143 0.000 4.137) 4.292 6.321 ( -5.437 0.000 -0.162) 5.440 6.327 ( 0.383 0.000 -3.650) 3.670 6.425 ( 2.073 0.000 -1.547) 2.587 6.589 ( 1.712 0.000 2.160) 2.756 6.766 ( -2.656 0.000 -0.546) 2.711 6.814 ( 3.285 0.000 1.430) 3.583 6.998 ( -2.475 0.000 0.036) 2.475 7.190 ( -6.152 0.000 -1.533) 6.340 7.281 ( 3.330 0.000 4.474) 5.578 7.366 ( 1.212 0.000 7.752) 7.846 7.468 ( -5.428 0.000 -8.958) 10.475 7.705 ( -2.034 0.000 -1.406) 2.472 8.006 ( -2.271 0.000 -2.520) 3.392 8.156 ( 1.008 0.000 0.940) 1.378 8.260 ( -2.385 0.000 0.451) 2.427 8.331 ( -0.555 0.000 0.340) 0.651 8.608 ( 1.533 0.000 -0.525) 1.621 8.647 ( 5.399 0.000 -0.310) 5.408 8.721 ( 2.874 0.000 1.392) 3.193 8.731 ( -0.930 0.000 1.495) 1.761 8.876 ( 1.149 0.000 -0.991) 1.517 8.908 ( -1.587 0.000 -0.813) 1.783 9.008 ( -2.108 0.000 0.794) 2.253 9.129 ( 0.850 0.000 -2.932) 3.053 9.186 ( -2.365 0.000 1.571) 2.840 9.301 ( -0.430 0.000 0.364) 0.563 9.909 ( 2.233 0.000 2.298) 3.204 9.951 ( 0.421 0.000 2.787) 2.819 9.979 ( -1.489 0.000 -4.423) 4.667 10.071 ( -0.754 0.000 0.020) 0.754 10.337 ( -0.336 0.000 -1.259) 1.303 10.446 ( 0.351 0.000 1.205) 1.255 11.038 ( 0.243 0.000 0.229) 0.334 11.039 ( 0.016 0.000 -0.314) 0.315 11.623 ( 1.326 0.000 -2.172) 2.544 11.831 ( 1.895 0.000 0.860) 2.081 11.873 ( 10.240 0.000 1.858) 10.408 12.017 ( -0.490 0.000 2.229) 2.282 12.236 ( -3.376 0.000 -3.975) 5.215 12.352 ( 0.119 0.000 1.125) 1.132 12.891 ( -1.458 0.000 -1.331) 1.974 12.903 ( -0.371 0.000 0.756) 0.842 13.120 ( -1.012 0.000 -1.271) 1.625 13.511 ( -1.757 0.000 -0.583) 1.851 13.522 ( -1.964 0.000 1.970) 2.782 13.653 ( -5.893 0.000 0.140) 5.894 14.781 ( 2.221 0.000 1.364) 2.606 14.987 ( -3.702 0.000 0.231) 3.709 15.191 ( 6.820 0.000 -1.701) 7.029 15.307 ( -1.342 0.000 -7.094) 7.220 15.530 ( -8.717 0.000 11.675) 14.570 15.917 ( 1.028 0.000 -5.098) 5.201 16.281 ( -1.135 0.000 1.921) 2.232 16.409 ( -0.088 0.000 -0.674) 0.680 16.820 ( -0.178 0.000 -0.441) 0.475 16.839 ( 0.955 0.000 1.042) 1.413 17.208 ( -0.906 0.000 -4.658) 4.745 17.335 ( -0.195 0.000 3.550) 3.555 ======================= Grid point 9 (6/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 22.183 0.000) 22.183 0.511 ( 0.000 23.969 0.000) 23.969 0.874 ( 0.000 38.719 0.000) 38.719 1.124 ( 0.000 9.587 0.000) 9.587 1.125 ( 0.000 11.753 0.000) 11.753 1.323 ( 0.000 15.976 0.000) 15.976 1.493 ( 0.000 6.466 0.000) 6.466 1.644 ( 0.000 10.844 0.000) 10.844 1.681 ( 0.000 14.035 0.000) 14.035 1.882 ( 0.000 6.064 0.000) 6.064 2.053 ( 0.000 3.936 0.000) 3.936 2.066 ( 0.000 6.203 0.000) 6.203 2.442 ( 0.000 2.704 0.000) 2.704 2.515 ( 0.000 9.311 0.000) 9.311 2.520 ( 0.000 0.662 0.000) 0.662 2.630 ( 0.000 3.854 0.000) 3.854 2.882 ( 0.000 2.769 0.000) 2.769 3.102 ( 0.000 -5.973 0.000) 5.973 3.342 ( 0.000 -1.951 0.000) 1.951 3.435 ( 0.000 2.491 0.000) 2.491 3.539 ( 0.000 -1.327 0.000) 1.327 3.656 ( 0.000 -3.628 0.000) 3.628 3.850 ( 0.000 -0.920 0.000) 0.920 3.926 ( 0.000 2.854 0.000) 2.854 4.101 ( 0.000 0.062 0.000) 0.062 4.330 ( 0.000 -4.132 0.000) 4.132 4.367 ( 0.000 -0.800 0.000) 0.800 4.468 ( 0.000 -2.007 0.000) 2.007 4.647 ( 0.000 4.933 0.000) 4.933 4.681 ( 0.000 -0.323 0.000) 0.323 4.699 ( 0.000 0.550 0.000) 0.550 4.774 ( 0.000 -1.459 0.000) 1.459 4.812 ( 0.000 -3.198 0.000) 3.198 4.864 ( 0.000 1.707 0.000) 1.707 4.945 ( 0.000 -0.514 0.000) 0.514 5.077 ( 0.000 4.282 0.000) 4.282 5.095 ( 0.000 5.315 0.000) 5.315 5.212 ( 0.000 6.446 0.000) 6.446 5.238 ( 0.000 3.926 0.000) 3.926 5.246 ( 0.000 4.288 0.000) 4.288 5.320 ( 0.000 6.751 0.000) 6.751 5.448 ( 0.000 1.333 0.000) 1.333 5.559 ( 0.000 -5.685 0.000) 5.685 5.711 ( 0.000 0.535 0.000) 0.535 5.825 ( 0.000 -0.599 0.000) 0.599 5.887 ( 0.000 -8.949 0.000) 8.949 5.960 ( 0.000 0.037 0.000) 0.037 5.974 ( 0.000 0.484 0.000) 0.484 6.173 ( 0.000 -4.825 0.000) 4.825 6.295 ( 0.000 -1.587 0.000) 1.587 6.338 ( 0.000 2.722 0.000) 2.722 6.471 ( 0.000 10.790 0.000) 10.790 6.524 ( 0.000 8.075 0.000) 8.075 6.628 ( 0.000 6.130 0.000) 6.130 6.806 ( 0.000 0.682 0.000) 0.682 6.964 ( 0.000 -3.125 0.000) 3.125 6.970 ( 0.000 -0.520 0.000) 0.520 7.361 ( 0.000 -1.937 0.000) 1.937 7.596 ( 0.000 -5.673 0.000) 5.673 7.722 ( 0.000 -0.229 0.000) 0.229 7.737 ( 0.000 1.059 0.000) 1.059 7.754 ( 0.000 -1.704 0.000) 1.704 8.054 ( 0.000 2.180 0.000) 2.180 8.163 ( 0.000 -1.061 0.000) 1.061 8.263 ( 0.000 -1.004 0.000) 1.004 8.414 ( 0.000 -1.870 0.000) 1.870 8.420 ( 0.000 0.317 0.000) 0.317 8.560 ( 0.000 -0.444 0.000) 0.444 8.638 ( 0.000 0.193 0.000) 0.193 8.662 ( 0.000 2.761 0.000) 2.761 8.788 ( 0.000 -2.552 0.000) 2.552 8.920 ( 0.000 2.422 0.000) 2.422 9.134 ( 0.000 1.484 0.000) 1.484 9.204 ( 0.000 -2.495 0.000) 2.495 9.242 ( 0.000 -0.674 0.000) 0.674 9.332 ( 0.000 -15.047 0.000) 15.047 9.835 ( 0.000 -1.434 0.000) 1.434 9.838 ( 0.000 -1.823 0.000) 1.823 9.919 ( 0.000 1.544 0.000) 1.544 9.998 ( 0.000 1.723 0.000) 1.723 10.341 ( 0.000 0.169 0.000) 0.169 10.421 ( 0.000 -0.052 0.000) 0.052 10.970 ( 0.000 2.165 0.000) 2.165 11.071 ( 0.000 -0.074 0.000) 0.074 11.415 ( 0.000 -0.588 0.000) 0.588 11.550 ( 0.000 2.456 0.000) 2.456 11.621 ( 0.000 3.857 0.000) 3.857 11.832 ( 0.000 -0.262 0.000) 0.262 12.316 ( 0.000 0.290 0.000) 0.290 12.470 ( 0.000 -2.836 0.000) 2.836 12.883 ( 0.000 1.176 0.000) 1.176 12.893 ( 0.000 1.542 0.000) 1.542 13.487 ( 0.000 1.306 0.000) 1.306 13.756 ( 0.000 1.558 0.000) 1.558 13.819 ( 0.000 -2.887 0.000) 2.887 14.337 ( 0.000 -7.152 0.000) 7.152 14.404 ( 0.000 -1.943 0.000) 1.943 14.563 ( 0.000 -0.202 0.000) 0.202 14.685 ( 0.000 5.507 0.000) 5.507 15.544 ( 0.000 -9.056 0.000) 9.056 15.977 ( 0.000 -12.630 0.000) 12.630 16.219 ( 0.000 -2.494 0.000) 2.494 16.319 ( 0.000 15.563 0.000) 15.563 16.729 ( 0.000 0.184 0.000) 0.184 16.757 ( 0.000 -1.768 0.000) 1.768 16.847 ( 0.000 1.290 0.000) 1.290 16.870 ( 0.000 1.955 0.000) 1.955 18.100 ( 0.000 -6.772 0.000) 6.772 ======================= Grid point 10 (7/70) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 12.437 18.980 4.915) 23.218 0.691 ( 16.719 16.234 4.445) 23.724 1.248 ( 29.259 23.256 4.259) 37.617 1.272 ( 12.722 2.484 2.686) 13.237 1.321 ( 14.849 12.907 -7.876) 21.193 1.543 ( 14.093 7.685 5.406) 16.938 1.570 ( 8.971 10.195 -7.056) 15.303 1.688 ( 7.855 3.486 4.322) 9.619 1.881 ( 13.841 10.034 12.095) 20.941 2.004 ( 10.778 5.886 0.890) 12.313 2.125 ( 7.133 5.129 0.246) 8.789 2.202 ( 11.199 3.780 0.851) 11.850 2.438 ( 0.858 2.769 -6.778) 7.372 2.493 ( 0.845 6.959 -7.473) 10.246 2.539 ( 1.842 8.507 3.708) 9.461 2.612 ( -0.229 4.952 0.182) 4.960 2.873 ( 1.083 2.826 -2.712) 4.064 3.137 ( 2.905 -3.701 -4.848) 6.756 3.369 ( 3.987 -3.666 3.523) 6.461 3.506 ( 5.432 0.325 0.683) 5.485 3.576 ( 3.449 1.157 4.008) 5.412 3.742 ( 3.628 -6.210 -4.947) 8.730 3.875 ( 3.036 -0.694 0.954) 3.257 3.918 ( -0.660 1.636 -0.823) 1.947 4.097 ( -0.481 0.422 -0.840) 1.056 4.283 ( -5.264 -0.392 -2.215) 5.725 4.360 ( 1.050 -0.499 -3.106) 3.316 4.425 ( -3.893 -3.478 7.727) 9.325 4.540 ( -9.425 1.731 0.775) 9.614 4.647 ( -4.343 2.394 5.231) 7.208 4.689 ( 0.399 1.202 -3.478) 3.701 4.762 ( 0.213 -2.635 -1.678) 3.131 4.862 ( 1.263 2.161 1.243) 2.794 4.889 ( 4.467 0.320 3.137) 5.468 4.981 ( 2.299 -1.898 -2.482) 3.879 5.057 ( -0.516 4.985 -1.990) 5.392 5.159 ( 3.800 3.728 1.143) 5.445 5.212 ( 0.015 1.203 -1.406) 1.851 5.256 ( 0.833 2.859 0.187) 2.983 5.292 ( 6.943 -2.516 -1.245) 7.489 5.353 ( 3.654 7.012 0.804) 7.948 5.464 ( 2.424 1.327 -2.685) 3.853 5.596 ( -5.558 2.273 2.340) 6.445 5.630 ( 4.282 -6.178 -0.869) 7.567 5.812 ( -3.244 1.153 4.645) 5.782 5.877 ( 0.356 0.648 6.440) 6.482 5.938 ( 5.651 -6.909 -5.746) 10.615 6.071 ( -0.267 -0.779 -8.112) 8.154 6.168 ( -1.294 -1.883 -3.361) 4.064 6.273 ( -3.661 6.069 -6.225) 9.433 6.285 ( -1.143 -2.342 -1.568) 3.042 6.461 ( 0.879 10.859 -3.720) 11.513 6.606 ( -2.516 2.891 7.536) 8.455 6.666 ( 7.517 2.524 8.087) 11.326 6.740 ( -3.665 4.746 3.633) 7.011 6.904 ( -1.307 -4.439 1.099) 4.756 7.053 ( -3.097 3.322 1.523) 4.790 7.323 ( -3.747 5.665 -3.858) 7.812 7.337 ( -4.874 -1.750 -4.721) 7.008 7.668 ( -2.427 -2.475 -1.966) 3.985 7.727 ( -1.144 0.842 -0.412) 1.478 7.808 ( 2.631 0.963 7.249) 7.772 8.064 ( 0.498 2.761 -1.319) 3.100 8.153 ( 1.535 -0.581 -0.853) 1.850 8.284 ( 0.559 0.757 1.582) 1.841 8.388 ( -0.548 -1.660 -3.449) 3.867 8.458 ( 1.694 0.744 3.553) 4.006 8.540 ( -3.622 -2.239 -2.922) 5.165 8.622 ( 0.363 -0.088 -0.035) 0.376 8.735 ( -3.442 0.440 -1.947) 3.979 8.808 ( 1.458 -5.614 14.015) 15.168 8.968 ( 2.940 -1.134 -3.630) 4.807 9.130 ( -1.246 -1.587 0.208) 2.028 9.222 ( -1.338 -3.124 -1.700) 3.800 9.256 ( 3.774 -2.789 -3.273) 5.721 9.318 ( -1.984 -8.279 3.280) 9.124 9.703 ( -3.758 -1.704 0.349) 4.141 9.901 ( -0.732 -0.075 1.330) 1.520 10.009 ( 6.021 -3.769 -3.303) 7.834 10.064 ( 4.207 1.308 1.625) 4.696 10.353 ( 0.934 -0.860 1.160) 1.720 10.392 ( -2.099 -0.166 0.135) 2.109 10.983 ( 1.184 1.936 0.413) 2.307 11.061 ( -0.533 0.688 -1.848) 2.043 11.366 ( -0.447 4.373 2.655) 5.136 11.553 ( 1.112 2.628 -6.219) 6.843 11.636 ( 2.299 3.401 2.941) 5.049 11.859 ( 2.328 1.039 -0.403) 2.581 12.365 ( 0.181 -2.693 7.892) 8.341 12.435 ( -2.826 -2.150 -1.992) 4.072 12.889 ( 0.572 0.921 -0.252) 1.113 12.902 ( 0.905 1.689 0.126) 1.921 13.562 ( -3.454 -2.061 0.680) 4.079 13.687 ( -1.669 -2.659 7.257) 7.907 13.788 ( -2.111 4.405 0.584) 4.919 14.419 ( 9.108 0.816 0.420) 9.154 14.503 ( -4.555 1.818 -7.237) 8.743 14.602 ( 2.889 -1.483 3.806) 5.003 14.781 ( 15.120 -7.061 -0.791) 16.706 15.472 ( -6.129 -7.806 9.027) 13.416 15.967 ( -2.756 -11.034 3.177) 11.808 16.168 ( -2.980 1.225 -20.320) 20.574 16.313 ( -2.880 3.942 13.034) 13.918 16.678 ( -4.647 3.805 1.657) 6.231 16.773 ( 0.414 -2.300 0.789) 2.466 16.823 ( -1.221 0.352 1.945) 2.324 16.958 ( 6.853 -6.444 -7.162) 11.823 17.763 ( -20.351 5.982 -7.335) 22.445 ======================= Grid point 11 (8/70) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 17.837 12.770 6.889) 22.994 1.075 ( 18.924 10.174 5.720) 22.234 1.483 ( 8.926 4.872 -6.209) 11.914 1.616 ( 14.997 9.688 -1.924) 17.957 1.698 ( 7.636 3.893 -1.650) 8.729 1.842 ( 21.928 4.331 -2.268) 22.467 1.893 ( 13.366 2.569 2.915) 13.919 1.977 ( 22.453 9.084 5.074) 24.747 2.187 ( 13.008 5.608 3.546) 14.602 2.280 ( 15.271 2.555 0.931) 15.511 2.321 ( 12.217 8.776 2.915) 15.322 2.386 ( 8.914 1.950 -2.377) 9.430 2.463 ( 2.806 3.777 -7.938) 9.228 2.565 ( 5.132 4.379 3.983) 7.834 2.595 ( 2.328 5.169 -4.400) 7.176 2.724 ( 13.494 9.937 0.268) 16.760 2.927 ( 3.809 0.065 3.250) 5.007 3.207 ( 5.549 0.051 -4.892) 7.397 3.464 ( 3.491 -2.792 1.607) 4.750 3.603 ( 1.618 2.448 -0.511) 2.979 3.659 ( 1.226 2.009 -1.607) 2.850 3.756 ( 3.088 -6.134 -3.666) 7.785 3.893 ( -0.599 0.197 -1.758) 1.868 3.964 ( 2.824 -2.288 2.339) 4.322 4.087 ( 0.281 -0.717 -0.685) 1.030 4.202 ( -0.713 3.681 -0.126) 3.751 4.315 ( -7.186 3.424 4.057) 8.934 4.373 ( -3.315 -0.694 -0.750) 3.468 4.422 ( 1.109 -0.809 3.483) 3.744 4.548 ( -4.461 0.383 5.968) 7.460 4.709 ( 0.742 2.145 -2.736) 3.555 4.774 ( 1.786 -4.692 -0.665) 5.064 4.877 ( 0.798 4.838 2.742) 5.618 4.989 ( 2.122 -0.877 -7.458) 7.803 5.024 ( 4.522 -3.698 2.374) 6.306 5.066 ( 1.724 -0.684 -0.444) 1.907 5.183 ( -0.688 -0.806 -2.797) 2.991 5.217 ( 0.647 1.610 0.027) 1.735 5.280 ( 1.690 1.861 -1.429) 2.892 5.433 ( 4.826 1.674 -0.097) 5.109 5.481 ( 5.900 -2.897 2.155) 6.917 5.527 ( 5.057 -0.190 0.677) 5.105 5.557 ( 2.813 1.645 -0.121) 3.261 5.692 ( 0.913 -2.993 -1.665) 3.544 5.804 ( 1.926 -0.737 4.873) 5.292 5.899 ( 0.543 -2.754 5.042) 5.770 6.002 ( -2.753 1.134 -2.619) 3.965 6.062 ( 3.783 -3.536 -1.871) 5.505 6.115 ( -1.323 -2.453 -0.882) 2.923 6.198 ( -2.532 6.501 -2.632) 7.457 6.221 ( -4.912 -1.075 -2.511) 5.620 6.465 ( -1.562 1.601 -7.794) 8.108 6.525 ( -3.585 6.871 -1.154) 7.835 6.648 ( -3.284 4.955 7.182) 9.323 6.855 ( -0.064 3.766 4.040) 5.524 6.903 ( 0.255 -2.355 3.508) 4.233 6.937 ( 0.853 2.798 5.167) 5.938 7.255 ( -4.351 -1.199 -3.333) 5.611 7.320 ( 0.126 -0.461 -2.248) 2.299 7.593 ( -5.441 -2.580 -2.022) 6.352 7.686 ( -2.850 1.659 -1.913) 3.812 7.847 ( 0.170 3.724 4.968) 6.211 8.088 ( 2.046 2.094 1.595) 3.334 8.171 ( -0.962 -0.894 -3.059) 3.329 8.316 ( 2.428 1.571 2.848) 4.059 8.369 ( -0.130 -2.414 -0.894) 2.578 8.495 ( 1.087 0.072 0.729) 1.311 8.521 ( 1.984 -1.451 -4.100) 4.780 8.580 ( -2.686 3.130 1.144) 4.281 8.694 ( -0.063 1.022 -1.790) 2.062 8.816 ( -0.337 -3.167 4.500) 5.513 8.983 ( -1.015 -2.619 -1.590) 3.228 9.107 ( -0.645 -0.953 -0.058) 1.152 9.179 ( -2.403 -2.112 -1.750) 3.647 9.275 ( -2.585 -0.416 2.381) 3.539 9.299 ( 0.915 -2.328 -1.138) 2.748 9.677 ( 0.774 -6.003 1.112) 6.154 9.893 ( -0.529 -2.002 1.487) 2.549 10.084 ( 2.360 0.081 -2.419) 3.381 10.121 ( 1.585 3.066 0.232) 3.459 10.350 ( -1.006 -1.084 -3.251) 3.571 10.384 ( 0.840 -2.423 4.290) 4.999 11.011 ( 1.362 1.395 0.623) 2.047 11.052 ( 0.020 1.218 -1.542) 1.966 11.440 ( 6.510 2.396 2.817) 7.487 11.578 ( 2.762 2.902 -5.998) 7.213 11.714 ( 4.660 4.058 2.820) 6.792 11.927 ( 4.439 3.163 0.575) 5.481 12.348 ( -2.265 -1.660 1.808) 3.339 12.376 ( -2.029 -0.822 -0.669) 2.289 12.904 ( 0.841 0.781 -0.012) 1.147 12.924 ( 1.062 1.695 -0.032) 2.000 13.408 ( -8.219 2.275 -5.195) 9.986 13.668 ( -3.713 -0.473 11.125) 11.738 13.732 ( -3.285 6.302 -2.857) 7.659 14.260 ( -14.881 8.764 -1.855) 17.369 14.602 ( 7.809 0.382 -0.466) 7.832 14.766 ( 10.472 -4.537 -0.957) 11.452 15.036 ( 8.538 -4.246 -0.844) 9.573 15.377 ( -4.028 -8.365 5.037) 10.563 15.864 ( -8.795 -6.811 11.231) 15.808 16.022 ( -7.314 4.504 -14.830) 17.138 16.275 ( -2.247 -6.027 5.431) 8.418 16.567 ( -6.080 5.143 -0.282) 7.969 16.773 ( -0.086 -1.606 -0.391) 1.655 16.809 ( -0.535 -1.783 0.504) 1.929 17.063 ( 4.381 -10.640 -4.107) 12.217 17.448 ( -10.578 0.855 -1.960) 10.792 ======================= Grid point 12 (9/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 17.642 8.250 5.448) 20.223 1.425 ( 14.438 8.118 4.453) 17.152 1.634 ( 6.866 5.175 -3.091) 9.136 1.796 ( 4.286 2.113 -6.527) 8.090 1.876 ( 8.829 8.131 4.335) 12.762 1.999 ( 3.714 5.310 -6.048) 8.864 2.263 ( 15.080 1.245 -0.083) 15.132 2.327 ( 9.256 2.200 -2.474) 9.831 2.402 ( 8.777 3.395 0.277) 9.415 2.480 ( 6.511 4.509 0.427) 7.931 2.524 ( 7.943 1.428 -1.478) 8.205 2.615 ( 8.076 2.319 -1.846) 8.602 2.635 ( 9.512 -1.973 -3.745) 10.412 2.698 ( 13.768 4.837 7.905) 16.596 2.717 ( 8.649 5.462 3.856) 10.932 2.958 ( 8.598 7.300 -2.246) 11.501 3.028 ( 5.410 -1.368 6.965) 8.925 3.343 ( 6.934 5.333 1.374) 8.855 3.489 ( -1.195 -0.791 -0.361) 1.478 3.548 ( -5.657 4.880 -1.849) 7.696 3.586 ( -4.860 0.854 -6.435) 8.109 3.828 ( 3.067 -5.046 -2.365) 6.361 3.893 ( -1.623 -2.228 -0.010) 2.756 4.022 ( 5.358 -0.809 -3.415) 6.405 4.083 ( -0.345 -2.161 0.092) 2.190 4.211 ( -1.475 1.693 2.387) 3.277 4.294 ( 7.173 4.324 0.072) 8.375 4.355 ( -0.475 3.132 0.239) 3.177 4.412 ( -2.412 0.291 9.955) 10.247 4.550 ( 3.261 -3.300 0.395) 4.656 4.688 ( -1.967 2.592 0.145) 3.257 4.838 ( 4.022 -8.675 -4.222) 10.453 4.899 ( 0.697 4.244 3.329) 5.439 5.026 ( 3.164 -1.378 -8.665) 9.327 5.094 ( 1.238 0.666 -0.912) 1.676 5.110 ( 2.766 -4.951 0.397) 5.686 5.169 ( 0.839 1.181 1.128) 1.836 5.229 ( 0.814 -1.005 2.514) 2.827 5.309 ( 1.424 -0.599 -2.082) 2.593 5.487 ( 0.832 -1.832 1.088) 2.287 5.577 ( 4.786 2.559 -2.611) 6.023 5.601 ( 2.127 -1.502 1.734) 3.128 5.639 ( -0.153 -2.384 0.850) 2.536 5.732 ( 5.989 -3.387 0.838) 6.931 5.869 ( 1.739 -2.851 3.136) 4.581 5.897 ( -1.027 -3.693 1.661) 4.178 5.942 ( -2.151 -1.139 -0.811) 2.565 6.052 ( -1.725 3.467 -0.202) 3.877 6.069 ( -8.276 -1.901 -2.372) 8.816 6.135 ( 1.495 1.657 -2.669) 3.479 6.223 ( 2.521 -0.094 5.120) 5.708 6.395 ( -2.264 -1.650 -3.863) 4.771 6.476 ( -1.722 4.167 -1.436) 4.732 6.640 ( 0.405 3.829 1.235) 4.044 6.727 ( -5.374 3.179 1.743) 6.483 6.913 ( -1.261 1.001 2.656) 3.106 7.045 ( 1.435 1.374 1.369) 2.413 7.158 ( -4.111 -2.231 -1.566) 4.933 7.299 ( -0.162 -0.365 2.476) 2.508 7.469 ( -5.065 1.553 0.553) 5.327 7.605 ( -4.443 2.598 -5.244) 7.348 7.835 ( -2.129 5.181 1.712) 5.857 8.094 ( -3.115 0.020 -4.221) 5.246 8.152 ( 1.951 3.104 1.910) 4.134 8.333 ( -2.860 -0.025 1.178) 3.093 8.374 ( 0.211 2.631 0.249) 2.652 8.526 ( 3.584 -0.758 1.111) 3.828 8.555 ( 3.547 -0.320 -2.832) 4.550 8.622 ( 4.129 -0.412 2.203) 4.698 8.711 ( 1.383 -0.018 -0.608) 1.511 8.844 ( 2.522 0.035 0.390) 2.553 8.942 ( -2.347 -0.954 0.601) 2.604 9.082 ( -2.354 0.222 0.421) 2.401 9.135 ( -1.108 -0.740 -4.024) 4.239 9.221 ( -3.272 -0.443 1.283) 3.542 9.298 ( -0.648 -1.677 0.342) 1.830 9.723 ( 3.067 -7.522 1.345) 8.234 9.879 ( -1.253 -3.902 1.446) 4.346 10.102 ( 0.341 3.986 -1.960) 4.455 10.140 ( 0.264 3.769 0.483) 3.809 10.332 ( -0.230 -1.944 -2.770) 3.392 10.408 ( 0.783 -2.408 3.011) 3.934 11.034 ( 0.701 0.787 0.408) 1.130 11.050 ( -0.087 0.906 -0.732) 1.168 11.582 ( 5.202 0.890 -4.120) 6.695 11.664 ( 7.598 2.187 3.113) 8.497 11.824 ( 5.810 5.738 0.882) 8.213 12.026 ( 4.644 5.179 2.198) 7.295 12.298 ( -2.155 -0.628 -3.917) 4.514 12.359 ( -0.152 0.911 1.668) 1.907 12.917 ( 0.236 1.011 0.317) 1.086 12.934 ( -0.270 1.602 -0.503) 1.700 13.249 ( -6.159 4.277 -3.795) 8.404 13.601 ( -4.256 1.861 8.417) 9.613 13.653 ( -3.545 6.855 -4.369) 8.869 13.955 ( -14.513 7.641 0.023) 16.401 14.720 ( 4.238 0.307 1.124) 4.395 14.975 ( 9.678 -4.155 -4.105) 11.303 15.091 ( -0.867 1.170 0.232) 1.475 15.346 ( -0.818 -3.910 0.580) 4.036 15.676 ( -11.884 -4.612 13.663) 18.686 15.871 ( -4.078 -2.378 -12.276) 13.153 16.251 ( -1.007 -5.921 3.596) 7.000 16.459 ( -4.111 2.586 -1.059) 4.971 16.778 ( 0.537 -2.631 -0.042) 2.686 16.800 ( -0.412 -2.830 0.267) 2.873 17.117 ( 1.981 -9.521 -5.251) 11.052 17.302 ( -4.820 -4.556 2.981) 7.272 ======================= Grid point 13 (10/70) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 9.131 5.621 0.141) 10.723 1.647 ( 5.811 8.861 2.904) 10.987 1.735 ( 4.400 3.205 2.095) 5.833 1.830 ( -0.240 0.826 -4.182) 4.269 1.970 ( 0.260 6.306 0.164) 6.313 2.035 ( 1.238 10.373 -1.386) 10.538 2.392 ( 2.058 2.057 -3.424) 4.494 2.479 ( 4.744 -1.730 -1.903) 5.396 2.539 ( 3.118 2.516 0.526) 4.041 2.563 ( 2.450 1.145 1.287) 2.995 2.655 ( 4.235 1.707 2.489) 5.201 2.740 ( 4.930 -0.615 3.601) 6.136 2.776 ( 3.418 1.052 -6.134) 7.101 2.822 ( 3.269 3.806 5.027) 7.103 2.884 ( 1.272 3.784 -4.672) 6.145 3.131 ( 6.221 -0.856 2.994) 6.957 3.176 ( 8.130 3.157 5.985) 10.578 3.364 ( -3.106 4.287 -0.953) 5.379 3.419 ( -4.308 3.474 -1.998) 5.884 3.475 ( -2.123 3.504 4.983) 6.451 3.485 ( -3.041 2.709 -8.141) 9.103 3.866 ( 0.136 -8.177 0.341) 8.185 3.888 ( 2.080 -2.231 -1.095) 3.240 4.073 ( 0.198 -1.555 0.271) 1.591 4.128 ( 3.713 3.002 -1.618) 5.042 4.235 ( 1.578 -1.168 2.917) 3.516 4.340 ( -0.692 4.855 0.133) 4.906 4.358 ( -0.757 -3.982 -1.573) 4.348 4.439 ( 2.760 5.045 2.665) 6.338 4.602 ( 0.364 1.998 0.480) 2.087 4.684 ( 2.393 -3.323 0.392) 4.113 4.846 ( -1.848 -4.776 -2.158) 5.558 4.950 ( 3.007 -2.695 1.747) 4.400 5.034 ( -0.900 0.098 -5.866) 5.935 5.109 ( 1.111 1.557 -0.520) 1.982 5.157 ( 1.520 -4.300 -0.440) 4.582 5.228 ( 1.840 0.259 1.007) 2.114 5.274 ( 3.999 -0.438 4.886) 6.329 5.328 ( 0.766 -1.133 -2.214) 2.602 5.465 ( -3.934 -5.635 1.689) 7.077 5.552 ( -1.814 -4.031 -1.100) 4.555 5.652 ( 0.840 0.225 2.633) 2.773 5.701 ( 3.960 3.157 -3.520) 6.168 5.808 ( 1.494 -2.905 1.172) 3.471 5.845 ( -2.362 -4.410 2.178) 5.456 5.899 ( -0.893 -1.897 -2.367) 3.163 5.908 ( -1.385 -3.993 -0.104) 4.228 5.953 ( -1.447 0.141 -1.041) 1.788 6.052 ( 2.247 4.810 0.396) 5.323 6.165 ( 0.754 2.249 1.595) 2.859 6.243 ( -1.720 -3.507 2.447) 4.610 6.341 ( -2.257 -2.327 -4.194) 5.300 6.454 ( -0.100 5.664 1.205) 5.792 6.629 ( 0.149 -5.924 -0.113) 5.927 6.732 ( 1.962 9.460 3.053) 10.132 6.898 ( 0.843 2.443 0.984) 2.765 6.996 ( -2.624 -0.210 -1.019) 2.823 7.044 ( -6.303 -6.308 -4.572) 10.021 7.368 ( 3.828 2.178 7.141) 8.390 7.433 ( -0.019 4.062 2.023) 4.538 7.504 ( -3.501 5.186 -6.051) 8.704 7.779 ( -2.606 6.141 -0.572) 6.696 8.035 ( -1.479 2.290 -2.161) 3.479 8.184 ( 0.489 1.742 1.067) 2.101 8.272 ( -1.739 1.995 0.054) 2.647 8.377 ( 0.029 3.829 0.191) 3.834 8.590 ( 1.731 -1.605 0.307) 2.380 8.638 ( 3.598 -0.600 -0.488) 3.681 8.698 ( 2.363 -1.599 -1.242) 3.112 8.728 ( 0.281 -0.636 3.416) 3.486 8.888 ( 0.294 0.796 -0.892) 1.231 8.917 ( 0.800 1.183 -0.605) 1.551 9.030 ( -2.329 1.421 1.169) 2.968 9.120 ( 0.686 -1.031 -3.404) 3.622 9.158 ( -2.976 -1.956 1.241) 3.771 9.285 ( -0.438 -1.499 0.493) 1.638 9.781 ( 1.948 -6.781 0.020) 7.056 9.856 ( -1.019 -6.091 1.254) 6.302 10.102 ( 0.066 6.311 -0.733) 6.353 10.138 ( -0.267 3.769 0.166) 3.782 10.326 ( -0.031 -1.498 -1.165) 1.898 10.424 ( 0.329 -2.407 1.127) 2.678 11.042 ( 0.198 0.398 -0.031) 0.445 11.046 ( -0.167 0.560 -0.046) 0.586 11.633 ( 1.337 1.205 -2.275) 2.900 11.813 ( 3.945 -0.935 2.612) 4.822 11.959 ( 7.375 7.198 0.052) 10.306 12.088 ( 0.136 6.759 2.069) 7.070 12.245 ( -2.235 1.902 -3.155) 4.309 12.364 ( 0.200 1.512 0.560) 1.624 12.910 ( -0.923 1.786 -0.873) 2.192 12.917 ( -0.471 1.582 0.524) 1.732 13.170 ( -1.345 4.349 -1.298) 4.734 13.557 ( -1.095 3.705 5.724) 6.906 13.588 ( -1.709 6.055 -4.956) 8.009 13.725 ( -7.195 5.979 0.819) 9.391 14.784 ( 1.887 -0.098 0.746) 2.031 15.003 ( -2.197 1.322 0.063) 2.564 15.204 ( 9.345 -0.062 -5.188) 10.689 15.313 ( -1.869 1.422 -2.652) 3.542 15.471 ( -9.989 -4.714 11.751) 16.127 15.815 ( -0.426 -9.312 -5.387) 10.766 16.247 ( -0.102 -3.517 1.688) 3.902 16.404 ( -1.280 -0.843 -0.626) 1.656 16.782 ( -0.100 -3.558 -0.354) 3.577 16.802 ( 0.341 -3.477 0.740) 3.571 17.128 ( 0.358 -6.847 -3.660) 7.771 17.250 ( -1.306 -7.701 2.844) 8.313 ======================= Grid point 18 (11/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 19.710 0.000) 19.710 0.980 ( 0.000 22.084 0.000) 22.084 1.316 ( 0.000 11.098 0.000) 11.098 1.469 ( 0.000 20.446 0.000) 20.446 1.548 ( 0.000 20.773 0.000) 20.773 1.624 ( 0.000 8.206 0.000) 8.206 1.729 ( 0.000 20.303 0.000) 20.303 1.847 ( 0.000 8.337 0.000) 8.337 1.941 ( 0.000 8.135 0.000) 8.135 2.101 ( 0.000 13.062 0.000) 13.062 2.231 ( 0.000 10.949 0.000) 10.949 2.257 ( 0.000 16.113 0.000) 16.113 2.543 ( 0.000 1.914 0.000) 1.914 2.560 ( 0.000 7.930 0.000) 7.930 2.690 ( 0.000 1.860 0.000) 1.860 2.726 ( 0.000 9.552 0.000) 9.552 2.958 ( 0.000 -7.314 0.000) 7.314 3.003 ( 0.000 9.091 0.000) 9.091 3.278 ( 0.000 -4.302 0.000) 4.302 3.446 ( 0.000 -4.156 0.000) 4.156 3.455 ( 0.000 -7.052 0.000) 7.052 3.617 ( 0.000 3.235 0.000) 3.235 3.832 ( 0.000 -1.015 0.000) 1.015 3.987 ( 0.000 2.406 0.000) 2.406 4.079 ( 0.000 -2.612 0.000) 2.612 4.259 ( 0.000 -3.611 0.000) 3.611 4.410 ( 0.000 -2.543 0.000) 2.543 4.414 ( 0.000 5.995 0.000) 5.995 4.676 ( 0.000 0.666 0.000) 0.666 4.710 ( 0.000 0.825 0.000) 0.825 4.759 ( 0.000 5.165 0.000) 5.165 4.773 ( 0.000 0.741 0.000) 0.741 4.786 ( 0.000 2.360 0.000) 2.360 4.945 ( 0.000 4.734 0.000) 4.734 4.955 ( 0.000 1.952 0.000) 1.952 5.138 ( 0.000 2.310 0.000) 2.310 5.221 ( 0.000 6.106 0.000) 6.106 5.295 ( 0.000 1.038 0.000) 1.038 5.344 ( 0.000 4.794 0.000) 4.794 5.360 ( 0.000 5.972 0.000) 5.972 5.423 ( 0.000 -6.740 0.000) 6.740 5.459 ( 0.000 3.528 0.000) 3.528 5.522 ( 0.000 8.537 0.000) 8.537 5.666 ( 0.000 -8.078 0.000) 8.078 5.748 ( 0.000 3.298 0.000) 3.298 5.875 ( 0.000 2.098 0.000) 2.098 5.940 ( 0.000 -1.384 0.000) 1.384 6.003 ( 0.000 1.478 0.000) 1.478 6.093 ( 0.000 -2.590 0.000) 2.590 6.235 ( 0.000 -3.021 0.000) 3.021 6.387 ( 0.000 2.123 0.000) 2.123 6.637 ( 0.000 1.150 0.000) 1.150 6.702 ( 0.000 9.859 0.000) 9.859 6.785 ( 0.000 7.615 0.000) 7.615 6.824 ( 0.000 1.480 0.000) 1.480 6.882 ( 0.000 -4.006 0.000) 4.006 6.963 ( 0.000 0.031 0.000) 0.031 7.311 ( 0.000 -2.923 0.000) 2.923 7.456 ( 0.000 -7.747 0.000) 7.747 7.677 ( 0.000 -5.145 0.000) 5.145 7.743 ( 0.000 -0.297 0.000) 0.297 7.749 ( 0.000 2.228 0.000) 2.228 8.094 ( 0.000 1.146 0.000) 1.146 8.130 ( 0.000 -2.154 0.000) 2.154 8.238 ( 0.000 -1.045 0.000) 1.045 8.381 ( 0.000 -1.402 0.000) 1.402 8.438 ( 0.000 1.261 0.000) 1.261 8.539 ( 0.000 -1.488 0.000) 1.488 8.627 ( 0.000 -1.251 0.000) 1.251 8.702 ( 0.000 -0.520 0.000) 0.520 8.761 ( 0.000 1.649 0.000) 1.649 8.976 ( 0.000 1.903 0.000) 1.903 8.994 ( 0.000 -14.056 0.000) 14.056 9.140 ( 0.000 -3.333 0.000) 3.333 9.175 ( 0.000 1.254 0.000) 1.254 9.222 ( 0.000 -1.007 0.000) 1.007 9.800 ( 0.000 -1.660 0.000) 1.660 9.801 ( 0.000 -1.644 0.000) 1.644 9.951 ( 0.000 1.528 0.000) 1.528 10.022 ( 0.000 0.373 0.000) 0.373 10.336 ( 0.000 -0.625 0.000) 0.625 10.412 ( 0.000 -1.009 0.000) 1.009 11.020 ( 0.000 2.418 0.000) 2.418 11.078 ( 0.000 0.709 0.000) 0.709 11.421 ( 0.000 1.446 0.000) 1.446 11.615 ( 0.000 3.446 0.000) 3.446 11.727 ( 0.000 6.184 0.000) 6.184 11.844 ( 0.000 1.745 0.000) 1.745 12.335 ( 0.000 1.713 0.000) 1.713 12.424 ( 0.000 -1.184 0.000) 1.184 12.915 ( 0.000 1.747 0.000) 1.747 12.929 ( 0.000 1.840 0.000) 1.840 13.515 ( 0.000 1.157 0.000) 1.157 13.735 ( 0.000 -4.921 0.000) 4.921 13.764 ( 0.000 -1.296 0.000) 1.296 14.146 ( 0.000 -11.064 0.000) 11.064 14.363 ( 0.000 -1.883 0.000) 1.883 14.541 ( 0.000 -1.988 0.000) 1.988 14.762 ( 0.000 0.684 0.000) 0.684 15.424 ( 0.000 -1.020 0.000) 1.020 15.641 ( 0.000 -18.935 0.000) 18.935 16.138 ( 0.000 -5.114 0.000) 5.114 16.618 ( 0.000 10.420 0.000) 10.420 16.739 ( 0.000 -0.163 0.000) 0.163 16.745 ( 0.000 1.736 0.000) 1.736 16.887 ( 0.000 -0.232 0.000) 0.232 16.906 ( 0.000 5.885 0.000) 5.885 17.934 ( 0.000 -8.746 0.000) 8.746 ======================= Grid point 19 (12/70) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 10.441 18.336 4.514) 21.577 1.061 ( 8.179 19.368 1.046) 21.050 1.432 ( 10.016 11.441 -1.657) 15.296 1.597 ( 12.931 15.650 -2.347) 20.436 1.707 ( 10.968 15.206 -0.163) 18.749 1.722 ( 9.326 8.636 0.490) 12.720 1.810 ( 3.607 10.445 1.339) 11.131 1.861 ( 8.202 13.774 -1.818) 16.134 2.054 ( 9.827 4.258 2.730) 11.052 2.206 ( 7.951 15.561 2.702) 17.682 2.299 ( 7.004 5.711 0.241) 9.041 2.364 ( 9.463 15.765 2.348) 18.537 2.539 ( -0.618 6.942 -1.860) 7.213 2.576 ( 2.289 2.936 -2.506) 4.488 2.683 ( 2.002 3.801 2.529) 4.985 2.791 ( 4.272 8.829 1.882) 9.987 2.945 ( 0.652 2.414 -6.848) 7.290 3.086 ( 5.232 2.845 -2.051) 6.299 3.285 ( 2.910 -4.634 0.898) 5.545 3.455 ( 4.372 -5.817 -6.034) 9.454 3.551 ( 5.446 -5.040 4.679) 8.772 3.659 ( 3.749 0.032 0.282) 3.759 3.847 ( 0.396 -1.561 2.650) 3.101 3.977 ( -0.965 2.740 -2.346) 3.734 4.083 ( 0.569 -2.247 0.400) 2.352 4.240 ( -2.145 -3.684 0.295) 4.274 4.354 ( -2.347 -0.285 1.010) 2.571 4.437 ( 0.204 6.121 -0.420) 6.139 4.570 ( -7.679 1.698 1.106) 7.942 4.706 ( -1.223 0.158 0.882) 1.516 4.717 ( -3.676 4.792 3.089) 6.784 4.782 ( 0.725 4.328 -1.502) 4.638 4.856 ( 4.347 -0.397 1.732) 4.697 4.933 ( -1.100 1.523 -1.130) 2.193 4.978 ( 2.700 1.681 -0.900) 3.306 5.150 ( 0.809 1.714 -0.880) 2.090 5.210 ( -3.932 4.607 -3.989) 7.253 5.268 ( -1.853 1.392 0.454) 2.362 5.311 ( -1.411 3.371 -2.482) 4.418 5.334 ( 0.649 3.406 1.184) 3.664 5.440 ( -0.286 -2.069 0.566) 2.164 5.500 ( 3.329 -2.416 1.369) 4.335 5.535 ( 4.614 6.317 -1.704) 8.006 5.624 ( -2.354 0.236 2.491) 3.436 5.803 ( 2.056 -1.644 -4.642) 5.336 5.872 ( -3.760 1.056 4.293) 5.804 5.923 ( 4.029 2.993 4.930) 7.035 5.997 ( -1.231 -3.120 -2.757) 4.342 6.138 ( 0.906 -1.159 -2.112) 2.574 6.221 ( -1.426 -2.852 -0.977) 3.335 6.389 ( 0.336 3.576 -0.206) 3.597 6.604 ( -4.253 0.454 -6.686) 7.937 6.656 ( -2.677 3.798 3.434) 5.778 6.770 ( -0.973 0.263 2.097) 2.327 6.828 ( -1.963 7.217 -0.203) 7.482 6.875 ( 5.591 4.248 6.572) 9.618 7.067 ( 2.429 -1.219 1.692) 3.202 7.263 ( -5.900 -5.228 -2.215) 8.188 7.360 ( -3.415 -1.182 -2.552) 4.424 7.616 ( -3.668 -3.496 -3.773) 6.318 7.739 ( 0.872 -0.391 -3.231) 3.369 7.805 ( 2.503 -0.134 8.887) 9.234 8.104 ( 2.519 -0.017 1.231) 2.804 8.159 ( 0.298 2.097 -1.787) 2.771 8.291 ( 3.612 -0.822 1.420) 3.967 8.348 ( -2.134 -2.017 -2.090) 3.604 8.453 ( 0.940 -0.598 0.633) 1.281 8.526 ( -4.325 0.677 -3.405) 5.546 8.605 ( 4.163 -0.984 1.168) 4.434 8.716 ( -0.813 -2.680 1.659) 3.255 8.763 ( -0.047 0.910 0.603) 1.093 8.972 ( -0.364 0.846 -1.806) 2.028 9.043 ( 3.923 -9.463 0.230) 10.246 9.108 ( -2.443 -1.575 3.585) 4.615 9.202 ( 1.898 -3.180 0.850) 3.800 9.234 ( 0.872 -0.556 -3.004) 3.177 9.698 ( -4.632 0.578 -0.060) 4.668 9.898 ( 0.324 -1.212 0.444) 1.331 9.940 ( 3.826 -1.556 -0.241) 4.137 10.085 ( 4.261 0.066 1.737) 4.602 10.327 ( -0.791 -1.520 0.685) 1.845 10.382 ( -2.388 -0.971 -2.634) 3.686 11.028 ( 0.769 2.253 0.382) 2.411 11.079 ( 0.174 1.010 -0.888) 1.356 11.434 ( 1.566 3.151 3.281) 4.811 11.624 ( 1.327 3.802 -5.418) 6.751 11.744 ( 2.590 6.690 1.050) 7.250 11.897 ( 4.638 2.852 0.173) 5.447 12.346 ( 0.084 0.795 3.818) 3.901 12.400 ( -1.879 -0.726 -1.667) 2.615 12.916 ( 0.376 1.611 -0.138) 1.660 12.944 ( 1.188 2.198 0.192) 2.506 13.556 ( -1.070 0.602 0.359) 1.279 13.654 ( 0.263 -1.367 0.895) 1.655 13.845 ( 2.211 0.651 2.360) 3.298 14.279 ( 10.863 -12.204 -1.205) 16.383 14.445 ( 7.859 -3.837 -4.264) 9.730 14.568 ( 0.066 -3.579 5.211) 6.322 14.740 ( 1.179 -0.175 -5.260) 5.393 15.376 ( -4.978 -0.817 7.264) 8.844 15.648 ( 0.854 -18.204 -3.128) 18.491 16.077 ( -5.385 -5.830 -2.303) 8.264 16.554 ( -6.812 11.956 -0.431) 13.767 16.713 ( -1.958 0.845 -0.199) 2.142 16.749 ( -0.414 -0.195 0.796) 0.918 16.858 ( -4.531 3.292 3.613) 6.665 16.892 ( 0.810 -1.627 -1.726) 2.506 17.737 ( -16.652 -5.365 -2.345) 17.651 ======================= Grid point 20 (13/70) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 12.765 17.234 3.689) 21.762 1.307 ( 14.557 11.963 3.450) 19.155 1.650 ( 10.400 10.994 -3.043) 15.436 1.811 ( 5.406 9.189 0.476) 10.672 1.871 ( 9.468 8.259 -8.086) 14.942 1.915 ( 10.978 7.973 -0.459) 13.576 2.021 ( 15.306 7.289 2.990) 17.214 2.135 ( 14.512 5.158 3.264) 15.743 2.301 ( 12.982 0.925 -0.743) 13.037 2.402 ( 10.081 13.482 0.892) 16.858 2.444 ( 8.477 5.001 1.431) 9.946 2.535 ( 2.888 4.779 -2.561) 6.143 2.598 ( 7.517 10.365 4.232) 13.485 2.655 ( 6.520 4.366 1.458) 7.981 2.708 ( 0.252 6.543 -1.485) 6.715 2.903 ( 4.917 2.596 2.943) 6.291 2.989 ( 6.523 7.696 -6.185) 11.834 3.229 ( 10.563 3.681 -0.575) 11.201 3.375 ( 4.087 -5.493 0.683) 6.881 3.594 ( 9.354 -4.871 -3.408) 11.083 3.659 ( 3.888 -2.662 3.183) 5.686 3.700 ( -1.242 1.263 -2.686) 3.218 3.860 ( 0.825 -4.457 2.706) 5.279 3.934 ( -2.025 1.430 -6.414) 6.877 4.091 ( -0.427 -0.290 -1.195) 1.302 4.216 ( 1.061 -2.951 1.882) 3.658 4.334 ( -0.957 1.822 8.910) 9.145 4.417 ( -5.903 4.104 -1.389) 7.322 4.446 ( 1.145 3.537 -1.062) 3.866 4.637 ( -4.584 6.537 5.259) 9.560 4.672 ( -1.838 -1.379 -1.975) 3.030 4.781 ( -1.119 2.819 -2.125) 3.703 4.935 ( 3.110 -0.432 -4.379) 5.388 4.948 ( 2.893 -1.835 3.313) 4.765 5.024 ( 1.290 1.870 0.458) 2.317 5.068 ( -4.778 -1.078 -3.281) 5.895 5.166 ( 0.734 2.861 -0.318) 2.971 5.241 ( -1.557 0.258 -0.597) 1.687 5.310 ( 0.056 0.765 -2.931) 3.030 5.408 ( 5.329 -1.834 2.978) 6.374 5.450 ( 0.713 -1.171 0.199) 1.385 5.550 ( 2.138 0.022 0.770) 2.272 5.609 ( 0.761 -1.166 0.251) 1.415 5.646 ( 4.554 2.516 -1.081) 5.314 5.792 ( -1.015 -0.179 1.339) 1.690 5.838 ( -0.962 -2.511 1.322) 2.996 5.948 ( -2.458 -2.449 0.162) 3.473 6.025 ( 3.992 0.949 1.626) 4.414 6.119 ( -0.969 0.853 -0.070) 1.293 6.163 ( -4.548 -2.043 -0.557) 5.017 6.361 ( -2.903 3.997 -1.048) 5.050 6.481 ( -4.954 1.066 -5.583) 7.540 6.604 ( -4.120 2.535 3.245) 5.825 6.789 ( -1.432 7.249 -4.131) 8.465 6.815 ( 3.017 -3.067 6.477) 7.776 6.960 ( -8.928 2.104 3.905) 9.969 7.028 ( 7.386 5.896 4.200) 10.342 7.214 ( -0.720 -3.336 -3.512) 4.897 7.292 ( -3.040 -1.301 -5.060) 6.045 7.553 ( -3.344 -2.441 0.094) 4.141 7.726 ( -1.070 1.772 -4.485) 4.939 7.873 ( 2.259 -0.784 6.716) 7.129 8.144 ( -1.417 1.488 -1.568) 2.584 8.173 ( 3.316 2.839 1.239) 4.538 8.320 ( 0.753 -1.974 -0.737) 2.237 8.367 ( 3.996 2.560 0.487) 4.771 8.458 ( -0.687 -3.504 -0.717) 3.642 8.496 ( 1.258 -0.288 -1.150) 1.728 8.624 ( -0.932 0.558 -0.717) 1.301 8.730 ( 0.681 2.324 0.817) 2.555 8.785 ( 3.093 0.567 1.220) 3.373 8.955 ( -1.082 -0.216 -0.504) 1.213 9.075 ( -1.590 -3.016 2.388) 4.163 9.103 ( 1.653 -4.170 -1.512) 4.734 9.232 ( 0.396 -3.250 2.497) 4.117 9.242 ( 0.874 -2.406 -3.220) 4.113 9.621 ( -2.621 0.345 -0.129) 2.647 9.865 ( -2.314 -0.734 1.866) 3.062 10.052 ( 5.602 -2.713 -0.999) 6.304 10.166 ( 3.091 0.798 1.423) 3.496 10.310 ( -1.520 -3.631 0.850) 4.027 10.328 ( -1.505 -1.713 -2.637) 3.486 11.046 ( 0.667 1.714 0.508) 1.908 11.078 ( -0.196 1.078 -0.809) 1.362 11.513 ( 5.632 4.567 3.400) 8.009 11.652 ( 2.619 4.022 -5.536) 7.327 11.838 ( 6.274 7.657 0.853) 9.936 12.018 ( 7.180 5.525 1.043) 9.120 12.337 ( -1.409 1.010 0.472) 1.797 12.375 ( 0.452 1.169 0.022) 1.253 12.931 ( 1.055 1.815 -0.078) 2.101 12.970 ( 1.203 2.586 0.197) 2.859 13.464 ( -5.411 2.895 -4.352) 7.523 13.690 ( -0.500 2.070 8.482) 8.745 13.856 ( -0.962 4.689 -2.199) 5.267 14.359 ( -9.681 0.222 2.359) 9.966 14.574 ( 7.470 -6.220 -6.208) 11.534 14.610 ( 8.845 -7.946 0.994) 11.932 14.898 ( 12.519 -8.187 -3.225) 15.302 15.281 ( -5.326 -0.591 6.907) 8.742 15.653 ( -0.879 -13.531 2.271) 13.749 15.942 ( -6.644 -8.751 -5.668) 12.363 16.350 ( -12.558 10.259 1.214) 16.261 16.649 ( -5.211 2.985 0.963) 6.082 16.734 ( -0.984 -1.665 0.334) 1.962 16.770 ( -4.010 -1.640 0.787) 4.403 16.914 ( 1.571 -4.522 -1.592) 5.044 17.389 ( -15.384 -5.270 -1.217) 16.308 ======================= Grid point 21 (14/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 13.508 12.317 2.308) 18.425 1.596 ( 12.757 8.408 3.389) 15.650 1.807 ( 5.881 9.463 -1.330) 11.221 1.871 ( 2.562 7.137 -5.697) 9.484 2.053 ( 7.180 7.379 -1.055) 10.350 2.136 ( 9.780 7.640 1.746) 12.532 2.292 ( 10.774 1.562 -1.409) 10.978 2.358 ( 7.102 1.683 -1.328) 7.418 2.518 ( 7.748 2.448 -0.928) 8.178 2.547 ( 5.799 6.109 0.974) 8.479 2.581 ( 2.011 0.961 1.745) 2.831 2.631 ( 3.264 2.718 -4.898) 6.483 2.692 ( 9.207 5.678 2.356) 11.070 2.762 ( 6.953 1.488 7.315) 10.202 2.883 ( 9.992 8.001 -0.343) 12.806 2.971 ( 2.357 -1.250 1.386) 3.006 3.131 ( 7.534 6.861 -3.145) 10.664 3.416 ( 0.577 -4.360 -0.320) 4.410 3.462 ( 9.168 3.434 1.820) 9.958 3.628 ( -3.761 3.149 -0.191) 4.909 3.659 ( -4.772 3.341 -2.312) 6.268 3.746 ( 4.404 -1.477 -0.920) 4.735 3.857 ( -1.495 -2.118 2.312) 3.473 3.958 ( 7.167 -4.110 -4.058) 9.205 4.060 ( -1.850 -0.295 -1.611) 2.471 4.268 ( 2.363 -1.542 -0.367) 2.846 4.282 ( -3.398 3.082 2.443) 5.197 4.432 ( 5.343 -0.315 3.774) 6.550 4.479 ( 1.081 4.102 1.205) 4.410 4.565 ( -2.593 7.680 4.836) 9.439 4.676 ( 3.039 -5.043 -3.042) 6.627 4.722 ( -3.863 1.161 -3.648) 5.439 4.942 ( -3.931 -0.986 1.971) 4.507 4.985 ( 2.036 -5.324 -3.686) 6.788 5.023 ( 3.812 -0.808 -5.137) 6.447 5.119 ( 4.721 -2.446 2.593) 5.915 5.173 ( 0.004 4.289 -0.001) 4.289 5.224 ( 0.233 0.438 1.701) 1.772 5.290 ( -1.336 -1.096 -3.308) 3.732 5.451 ( 0.043 -1.523 0.344) 1.562 5.499 ( -0.645 -7.028 4.566) 8.405 5.561 ( -1.903 -6.935 -1.408) 7.328 5.625 ( 4.800 2.205 -0.769) 5.338 5.741 ( 4.462 1.712 -0.663) 4.825 5.764 ( -2.743 -2.890 3.184) 5.100 5.856 ( 1.980 -0.717 -0.449) 2.153 5.911 ( -1.462 -0.855 -1.704) 2.402 6.039 ( -5.838 -1.007 0.737) 5.970 6.082 ( 2.280 -1.898 3.952) 4.942 6.137 ( 1.461 2.962 -0.125) 3.305 6.299 ( -3.171 3.029 -0.189) 4.389 6.397 ( -3.229 2.535 -2.612) 4.866 6.533 ( -2.365 2.689 2.934) 4.629 6.714 ( -5.153 4.085 -1.491) 6.743 6.855 ( 0.368 1.376 2.370) 2.765 6.876 ( -0.759 0.973 3.966) 4.154 7.085 ( -2.634 2.341 -8.019) 8.759 7.162 ( -3.725 1.952 -4.371) 6.066 7.292 ( 4.211 -0.030 5.379) 6.832 7.492 ( -2.053 0.099 2.620) 3.330 7.683 ( -2.073 4.118 -5.604) 7.257 7.908 ( 0.193 1.690 3.493) 3.885 8.106 ( -1.473 1.337 -1.940) 2.779 8.230 ( 1.328 4.064 0.807) 4.351 8.323 ( -0.756 -0.987 0.172) 1.255 8.422 ( 1.524 0.978 0.485) 1.875 8.497 ( 4.424 -0.593 -1.308) 4.651 8.561 ( 5.301 0.078 2.850) 6.019 8.617 ( 0.343 -0.122 -1.274) 1.325 8.731 ( -0.292 2.608 -0.353) 2.648 8.870 ( 4.694 2.306 0.584) 5.262 8.923 ( -1.956 -1.081 -0.092) 2.237 9.043 ( -2.258 -3.879 2.397) 5.088 9.111 ( 0.257 -0.876 -4.176) 4.275 9.216 ( -2.400 -0.788 -0.181) 2.532 9.249 ( -0.212 -2.946 0.813) 3.063 9.610 ( 1.606 -2.599 0.198) 3.062 9.816 ( -3.024 -2.072 1.319) 3.896 10.144 ( 3.615 -0.083 -0.407) 3.639 10.204 ( 0.547 1.944 0.639) 2.119 10.276 ( -0.898 -2.944 -2.603) 4.031 10.323 ( 0.406 -5.621 1.797) 5.915 11.053 ( 0.030 0.963 0.198) 0.984 11.068 ( -0.596 0.699 -0.329) 0.976 11.635 ( 4.654 3.887 -2.144) 6.431 11.712 ( 4.252 2.472 1.685) 5.199 11.986 ( 8.376 9.634 -0.425) 12.773 12.173 ( 7.323 8.601 2.306) 11.529 12.324 ( 0.599 3.644 -1.400) 3.950 12.407 ( 2.197 4.081 -0.397) 4.652 12.951 ( 0.828 2.358 0.004) 2.500 12.984 ( -0.003 3.075 0.116) 3.077 13.348 ( -5.004 4.947 -3.492) 7.855 13.664 ( -2.990 3.909 7.944) 9.345 13.805 ( -3.190 6.688 -4.422) 8.629 14.086 ( -14.796 4.477 1.542) 15.535 14.691 ( 4.539 -4.382 -3.796) 7.363 14.818 ( 10.509 -10.984 -1.032) 15.237 15.110 ( 6.587 -2.177 -0.757) 6.979 15.227 ( 0.981 -4.899 4.363) 6.633 15.581 ( -7.602 -3.827 7.704) 11.480 15.795 ( -7.639 -7.296 -10.264) 14.728 16.143 ( -6.127 -1.776 3.692) 7.371 16.503 ( -8.525 1.533 -0.449) 8.673 16.713 ( -1.570 -3.671 -0.770) 4.066 16.720 ( -0.670 -3.585 0.508) 3.682 16.945 ( 1.860 -6.477 -1.793) 6.973 17.161 ( -7.652 -8.034 1.019) 11.142 ======================= Grid point 22 (15/70) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 7.559 9.356 -0.649) 12.045 1.803 ( 6.862 6.122 4.158) 10.092 1.870 ( 0.874 5.251 -2.891) 6.057 1.906 ( 1.168 10.050 -0.819) 10.151 2.106 ( -0.935 6.710 -0.707) 6.811 2.276 ( 3.387 11.323 1.423) 11.904 2.427 ( 3.754 -0.602 -4.494) 5.887 2.451 ( 2.331 1.124 -1.361) 2.924 2.565 ( 0.449 -0.902 2.567) 2.757 2.611 ( 1.596 2.543 -0.047) 3.003 2.687 ( 2.585 -1.803 0.698) 3.228 2.705 ( 4.538 1.648 2.088) 5.260 2.836 ( 3.793 4.251 -0.782) 5.751 2.894 ( 4.397 2.088 8.292) 9.615 2.978 ( -0.257 3.546 -8.642) 9.345 3.018 ( 1.748 -4.497 0.755) 4.884 3.297 ( 8.356 3.499 1.317) 9.154 3.394 ( -1.713 -3.644 -0.114) 4.028 3.517 ( -2.539 8.863 -1.020) 9.276 3.563 ( -1.188 4.232 -4.071) 5.991 3.593 ( -2.481 4.825 3.142) 6.270 3.743 ( -1.547 -2.028 0.589) 2.618 3.863 ( 0.932 0.078 1.607) 1.860 4.033 ( -0.365 -2.238 -1.304) 2.616 4.121 ( 6.925 -4.304 -0.149) 8.154 4.242 ( -1.324 1.913 0.425) 2.364 4.294 ( -0.016 -0.870 -0.254) 0.906 4.465 ( -1.183 5.630 0.245) 5.758 4.562 ( 4.314 -5.319 3.162) 7.544 4.571 ( 2.145 7.164 2.048) 7.754 4.642 ( -2.548 -0.743 -2.889) 3.923 4.733 ( 1.200 -3.808 -2.545) 4.735 4.873 ( -2.247 -4.396 0.721) 4.990 5.022 ( 1.444 -1.732 -2.371) 3.272 5.074 ( 2.046 -3.134 -2.948) 4.764 5.168 ( 0.056 2.009 0.559) 2.086 5.212 ( 2.268 -5.589 0.166) 6.034 5.243 ( -0.933 -2.382 -1.290) 2.865 5.275 ( 3.757 0.731 2.564) 4.606 5.400 ( -6.292 -3.076 3.016) 7.626 5.442 ( -1.063 -3.688 -0.497) 3.870 5.582 ( 1.171 -8.435 0.422) 8.526 5.684 ( -0.208 -2.750 -0.156) 2.762 5.746 ( 2.423 -0.880 -0.961) 2.751 5.808 ( 0.398 2.823 0.026) 2.851 5.842 ( -0.345 -1.704 -0.501) 1.810 5.880 ( -1.389 -0.614 -0.907) 1.769 5.987 ( -0.485 1.746 1.283) 2.220 6.144 ( 1.309 3.104 -0.835) 3.471 6.160 ( 1.975 -2.432 3.313) 4.560 6.227 ( -3.606 1.253 0.478) 3.847 6.338 ( -1.532 3.575 -1.710) 4.249 6.547 ( 2.453 2.218 3.088) 4.525 6.627 ( -3.270 6.324 -0.483) 7.136 6.846 ( -1.319 -4.673 -0.675) 4.902 6.899 ( 2.202 3.182 4.959) 6.290 6.992 ( -3.574 3.928 -8.143) 9.722 7.074 ( -2.943 5.489 -1.953) 6.528 7.380 ( 2.225 -1.089 3.525) 4.308 7.485 ( 0.052 1.656 2.174) 2.733 7.640 ( -0.849 6.309 -3.459) 7.245 7.905 ( -0.520 4.878 1.063) 5.020 8.087 ( -0.227 2.727 -0.736) 2.833 8.206 ( -1.863 0.914 -0.607) 2.162 8.342 ( 1.496 3.378 0.530) 3.732 8.454 ( 0.813 3.076 1.453) 3.498 8.553 ( 1.495 -1.665 -1.769) 2.852 8.631 ( 1.409 -0.685 -0.346) 1.605 8.678 ( 3.889 0.064 0.859) 3.983 8.712 ( -1.680 0.104 1.280) 2.115 8.891 ( -0.520 -0.422 -0.576) 0.884 8.963 ( 3.587 2.799 -0.044) 4.550 9.000 ( -1.911 -4.732 1.615) 5.353 9.108 ( 0.466 0.649 -3.001) 3.105 9.148 ( -3.593 0.783 -0.097) 3.678 9.242 ( -0.399 -2.708 0.803) 2.853 9.668 ( 3.436 -3.828 0.049) 5.144 9.751 ( -3.379 -3.671 0.520) 5.016 10.191 ( 1.015 2.387 0.168) 2.599 10.207 ( 0.141 2.389 0.158) 2.398 10.262 ( -0.236 -4.360 -1.233) 4.537 10.337 ( 0.417 -6.017 0.872) 6.094 11.051 ( -0.149 0.373 -0.170) 0.436 11.058 ( -0.305 0.443 0.115) 0.550 11.678 ( 0.933 3.089 -1.907) 3.748 11.793 ( 2.167 -0.839 1.983) 3.055 12.154 ( 7.047 11.310 -0.469) 13.334 12.282 ( 2.191 11.476 1.863) 11.831 12.349 ( 1.397 8.240 -0.684) 8.386 12.433 ( 0.229 5.558 -0.984) 5.649 12.961 ( 0.251 3.120 0.069) 3.131 12.972 ( -0.895 3.541 -0.122) 3.654 13.273 ( -1.704 5.199 -1.375) 5.641 13.642 ( 0.373 4.053 5.960) 7.218 13.717 ( -4.611 5.277 -5.304) 8.789 13.859 ( -6.297 6.470 1.144) 9.101 14.746 ( 1.469 -4.702 -1.129) 5.054 14.966 ( 3.276 -8.262 -0.618) 8.909 15.193 ( 6.201 1.538 -3.285) 7.184 15.321 ( 1.480 -3.296 5.408) 6.504 15.435 ( -4.788 1.475 6.187) 7.961 15.594 ( -8.498 -8.537 -7.532) 14.207 16.123 ( 1.328 -8.494 1.507) 8.728 16.356 ( -4.828 -4.179 -0.704) 6.424 16.691 ( -0.557 -4.388 -0.234) 4.429 16.715 ( -0.086 -4.192 0.209) 4.198 16.978 ( 1.622 -6.768 -1.555) 7.132 17.062 ( -2.921 -9.311 1.418) 9.860 ======================= Grid point 27 (16/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 14.085 0.000) 14.085 1.420 ( 0.000 19.975 0.000) 19.975 1.498 ( 0.000 6.052 0.000) 6.052 1.794 ( 0.000 8.627 0.000) 8.627 1.811 ( 0.000 7.590 0.000) 7.590 1.901 ( 0.000 19.418 0.000) 19.418 1.987 ( 0.000 5.324 0.000) 5.324 2.058 ( 0.000 6.467 0.000) 6.467 2.158 ( 0.000 19.159 0.000) 19.159 2.229 ( 0.000 0.901 0.000) 0.901 2.468 ( 0.000 3.324 0.000) 3.324 2.570 ( 0.000 11.235 0.000) 11.235 2.629 ( 0.000 7.672 0.000) 7.672 2.707 ( 0.000 0.409 0.000) 0.409 2.774 ( 0.000 12.035 0.000) 12.035 2.818 ( 0.000 -5.416 0.000) 5.416 2.885 ( 0.000 6.077 0.000) 6.077 3.167 ( 0.000 -4.767 0.000) 4.767 3.220 ( 0.000 4.103 0.000) 4.103 3.277 ( 0.000 -3.808 0.000) 3.808 3.306 ( 0.000 -7.703 0.000) 7.703 3.738 ( 0.000 5.355 0.000) 5.355 3.827 ( 0.000 1.360 0.000) 1.360 4.013 ( 0.000 -2.545 0.000) 2.545 4.018 ( 0.000 0.820 0.000) 0.820 4.146 ( 0.000 -7.178 0.000) 7.178 4.405 ( 0.000 2.117 0.000) 2.117 4.580 ( 0.000 7.904 0.000) 7.904 4.722 ( 0.000 3.847 0.000) 3.847 4.729 ( 0.000 0.991 0.000) 0.991 4.811 ( 0.000 2.308 0.000) 2.308 4.843 ( 0.000 2.494 0.000) 2.494 4.874 ( 0.000 6.107 0.000) 6.107 5.010 ( 0.000 2.564 0.000) 2.564 5.039 ( 0.000 4.229 0.000) 4.229 5.193 ( 0.000 3.026 0.000) 3.026 5.264 ( 0.000 -3.074 0.000) 3.074 5.296 ( 0.000 -4.769 0.000) 4.769 5.302 ( 0.000 0.664 0.000) 0.664 5.421 ( 0.000 2.078 0.000) 2.078 5.482 ( 0.000 5.149 0.000) 5.149 5.496 ( 0.000 1.034 0.000) 1.034 5.566 ( 0.000 -0.933 0.000) 0.933 5.703 ( 0.000 6.903 0.000) 6.903 5.843 ( 0.000 5.700 0.000) 5.700 5.918 ( 0.000 1.914 0.000) 1.914 5.942 ( 0.000 1.960 0.000) 1.960 6.026 ( 0.000 0.600 0.000) 0.600 6.068 ( 0.000 0.136 0.000) 0.136 6.191 ( 0.000 -1.259 0.000) 1.259 6.416 ( 0.000 0.694 0.000) 0.694 6.574 ( 0.000 -5.859 0.000) 5.859 6.811 ( 0.000 -1.726 0.000) 1.726 6.841 ( 0.000 4.773 0.000) 4.773 6.866 ( 0.000 0.775 0.000) 0.775 6.902 ( 0.000 2.518 0.000) 2.518 6.984 ( 0.000 2.036 0.000) 2.036 7.229 ( 0.000 -5.389 0.000) 5.389 7.299 ( 0.000 -6.381 0.000) 6.381 7.528 ( 0.000 -8.613 0.000) 8.613 7.738 ( 0.000 0.311 0.000) 0.311 7.817 ( 0.000 3.016 0.000) 3.016 8.082 ( 0.000 -2.050 0.000) 2.050 8.101 ( 0.000 0.341 0.000) 0.341 8.217 ( 0.000 -1.588 0.000) 1.588 8.366 ( 0.000 0.944 0.000) 0.944 8.445 ( 0.000 -1.954 0.000) 1.954 8.516 ( 0.000 0.236 0.000) 0.236 8.592 ( 0.000 -2.098 0.000) 2.098 8.652 ( 0.000 -3.755 0.000) 3.755 8.790 ( 0.000 0.510 0.000) 0.510 8.869 ( 0.000 2.358 0.000) 2.358 8.959 ( 0.000 -3.223 0.000) 3.223 9.087 ( 0.000 -2.178 0.000) 2.178 9.197 ( 0.000 0.838 0.000) 0.838 9.212 ( 0.000 0.125 0.000) 0.125 9.773 ( 0.000 -0.944 0.000) 0.944 9.773 ( 0.000 -0.944 0.000) 0.944 9.978 ( 0.000 1.017 0.000) 1.017 10.015 ( 0.000 -0.746 0.000) 0.746 10.320 ( 0.000 -0.747 0.000) 0.747 10.377 ( 0.000 -2.288 0.000) 2.288 11.063 ( 0.000 1.776 0.000) 1.776 11.094 ( 0.000 0.707 0.000) 0.707 11.477 ( 0.000 3.858 0.000) 3.858 11.664 ( 0.000 0.747 0.000) 0.747 11.863 ( 0.000 6.643 0.000) 6.643 11.910 ( 0.000 4.397 0.000) 4.397 12.386 ( 0.000 2.974 0.000) 2.974 12.425 ( 0.000 1.088 0.000) 1.088 12.951 ( 0.000 1.657 0.000) 1.657 12.964 ( 0.000 1.420 0.000) 1.420 13.530 ( 0.000 0.508 0.000) 0.508 13.636 ( 0.000 -4.242 0.000) 4.242 13.703 ( 0.000 -4.310 0.000) 4.310 13.903 ( 0.000 -11.942 0.000) 11.942 14.341 ( 0.000 0.151 0.000) 0.151 14.485 ( 0.000 -3.240 0.000) 3.240 14.721 ( 0.000 -2.974 0.000) 2.974 15.242 ( 0.000 -18.918 0.000) 18.918 15.505 ( 0.000 7.614 0.000) 7.614 16.016 ( 0.000 -6.655 0.000) 6.655 16.712 ( 0.000 1.644 0.000) 1.644 16.742 ( 0.000 0.236 0.000) 0.236 16.782 ( 0.000 0.996 0.000) 0.996 16.866 ( 0.000 -1.674 0.000) 1.674 17.120 ( 0.000 12.766 0.000) 12.766 17.755 ( 0.000 -8.565 0.000) 8.565 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.113 13.939 2.181) 16.796 1.461 ( 4.755 18.025 0.272) 18.644 1.639 ( 11.758 7.339 -2.273) 14.046 1.843 ( 3.830 7.106 3.674) 8.869 1.906 ( 8.513 5.890 -1.163) 10.417 1.973 ( 6.226 16.601 2.783) 17.947 2.002 ( 3.487 6.872 -7.300) 10.615 2.119 ( 5.815 3.416 2.264) 7.114 2.193 ( 4.444 16.933 -2.918) 17.748 2.342 ( 7.728 1.115 3.026) 8.374 2.513 ( 3.760 5.098 3.031) 7.022 2.608 ( 4.834 8.382 -1.837) 9.848 2.657 ( 0.423 5.588 -0.064) 5.605 2.730 ( 2.333 7.128 3.235) 8.168 2.765 ( 2.115 5.988 0.173) 6.353 2.893 ( 3.455 2.233 -1.702) 4.452 2.918 ( 4.929 -0.154 1.584) 5.179 3.172 ( 1.510 -5.994 -0.967) 6.257 3.280 ( 5.955 4.558 -0.813) 7.543 3.305 ( 4.336 -2.393 -5.016) 7.049 3.405 ( 6.789 -7.652 3.026) 10.667 3.696 ( -1.264 2.118 -4.639) 5.254 3.853 ( -0.086 2.742 3.020) 4.080 4.000 ( -1.489 -0.502 -2.510) 2.961 4.020 ( 1.082 -2.853 2.148) 3.731 4.137 ( -1.172 -6.255 1.532) 6.546 4.383 ( -0.341 3.414 1.466) 3.732 4.602 ( -1.668 7.316 -3.851) 8.434 4.627 ( -3.730 3.550 1.607) 5.394 4.733 ( -1.108 2.303 -0.054) 2.556 4.806 ( -1.860 1.151 3.132) 3.820 4.864 ( 0.160 6.038 -2.442) 6.515 4.883 ( 0.745 2.585 0.290) 2.706 4.963 ( -3.127 1.440 0.222) 3.450 5.025 ( 0.288 2.682 -1.994) 3.354 5.183 ( -1.445 0.715 1.074) 1.937 5.250 ( -0.546 -1.338 -1.069) 1.798 5.286 ( -2.636 1.899 -2.055) 3.844 5.324 ( -1.390 -2.736 2.284) 3.825 5.380 ( -1.906 1.232 -0.501) 2.324 5.413 ( -1.147 1.935 1.069) 2.490 5.516 ( 1.220 3.364 -0.435) 3.604 5.581 ( -0.679 -3.558 2.291) 4.286 5.693 ( 0.008 5.844 -2.789) 6.475 5.821 ( -1.020 2.980 -1.592) 3.529 5.905 ( -2.117 2.460 1.452) 3.555 5.978 ( -2.628 1.428 2.820) 4.110 6.001 ( 4.594 3.805 1.831) 6.240 6.118 ( 1.574 -0.833 -1.392) 2.260 6.181 ( -1.022 -1.244 -1.070) 1.933 6.432 ( 1.056 1.083 0.507) 1.595 6.528 ( -2.698 -4.903 -1.328) 5.752 6.694 ( -5.546 0.862 0.825) 5.673 6.814 ( -2.294 1.466 -0.149) 2.726 6.938 ( 1.463 3.392 -0.030) 3.694 6.976 ( 3.212 2.505 0.978) 4.190 7.035 ( 6.893 -0.725 0.221) 6.935 7.139 ( -7.562 -4.877 1.260) 9.086 7.318 ( 1.048 -2.719 -0.741) 3.007 7.494 ( -2.641 -7.852 -3.893) 9.153 7.728 ( 1.618 -0.147 0.534) 1.710 7.804 ( -1.360 -0.636 1.726) 2.287 8.114 ( 4.439 1.609 2.037) 5.142 8.202 ( 2.692 1.665 -0.653) 3.232 8.252 ( 4.676 -2.465 2.041) 5.666 8.310 ( -2.171 -1.037 -2.606) 3.547 8.457 ( -0.186 0.586 -0.095) 0.622 8.528 ( -2.949 -0.921 -2.245) 3.819 8.585 ( 3.066 -0.878 0.341) 3.208 8.667 ( 2.338 -2.144 3.446) 4.684 8.800 ( 0.440 2.224 -2.529) 3.396 8.900 ( 3.207 -3.120 -1.940) 4.877 8.981 ( 1.476 -1.222 1.847) 2.662 9.084 ( -1.425 -0.753 2.479) 2.957 9.156 ( -1.292 -0.729 1.807) 2.338 9.228 ( 0.222 -0.338 -3.844) 3.865 9.717 ( -2.704 1.288 -0.068) 2.996 9.846 ( 3.575 -2.793 -0.319) 4.548 9.949 ( -1.216 1.323 1.042) 2.078 10.064 ( 3.360 -1.847 1.654) 4.175 10.299 ( -1.957 -1.093 -0.189) 2.249 10.350 ( -2.252 -2.099 -2.296) 3.841 11.069 ( 0.442 1.636 0.396) 1.741 11.097 ( 0.185 0.662 -0.282) 0.743 11.514 ( 3.442 4.564 2.326) 6.172 11.684 ( 2.164 1.553 -3.496) 4.395 11.895 ( 3.656 7.470 -0.028) 8.317 11.976 ( 6.110 4.515 0.284) 7.602 12.387 ( 0.117 2.812 1.901) 3.396 12.409 ( -1.104 1.472 -0.682) 1.962 12.953 ( 0.624 1.924 -0.027) 2.023 12.985 ( 1.576 1.586 0.180) 2.243 13.568 ( -0.413 0.538 -1.587) 1.726 13.629 ( 4.773 -0.677 2.324) 5.351 13.808 ( 6.216 -4.204 1.662) 7.686 14.007 ( 9.834 -13.098 -1.463) 16.444 14.377 ( 4.232 -2.180 -2.802) 5.524 14.491 ( -0.720 -3.296 4.198) 5.386 14.698 ( -1.046 -3.111 -4.038) 5.203 15.222 ( -2.030 -18.315 4.214) 18.903 15.482 ( -1.790 6.146 -2.884) 7.021 15.950 ( -6.274 -6.440 0.338) 8.997 16.687 ( -2.780 2.176 0.485) 3.563 16.735 ( -0.888 0.664 -0.894) 1.425 16.758 ( -2.352 0.708 0.465) 2.499 16.846 ( -1.601 -2.088 -3.375) 4.279 17.021 ( -9.383 11.164 4.062) 15.138 17.604 ( -13.989 -7.125 -0.938) 15.727 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 11.380 12.725 2.433) 17.244 1.595 ( 8.180 14.884 1.121) 17.021 1.874 ( 9.069 8.645 -1.888) 12.671 1.959 ( 8.740 4.256 -2.494) 10.036 2.036 ( 5.136 10.822 -1.184) 12.037 2.094 ( 6.867 3.069 -2.418) 7.901 2.174 ( 10.557 8.965 2.195) 14.023 2.274 ( 7.537 9.015 1.018) 11.794 2.319 ( 8.697 1.123 0.808) 8.806 2.510 ( 8.781 1.653 3.468) 9.585 2.618 ( 4.994 4.801 3.776) 7.890 2.639 ( 0.491 5.522 -0.814) 5.603 2.702 ( 2.948 4.405 -0.709) 5.348 2.776 ( -1.076 4.614 -2.994) 5.604 2.858 ( 6.664 4.519 1.471) 8.185 2.952 ( 4.105 4.016 -2.145) 6.130 3.062 ( 8.493 0.158 1.503) 8.627 3.252 ( 5.089 -4.172 -0.101) 6.581 3.377 ( 5.210 5.341 -2.828) 7.979 3.462 ( 10.502 -6.425 -1.000) 12.352 3.556 ( 7.593 -6.616 1.733) 10.219 3.718 ( 3.312 -0.227 -1.684) 3.722 3.807 ( -3.577 0.333 0.532) 3.632 3.943 ( -3.267 -1.209 -3.509) 4.944 4.066 ( 1.173 -1.294 0.192) 1.757 4.135 ( 2.163 -3.780 4.405) 6.195 4.410 ( 0.806 4.485 2.672) 5.282 4.501 ( -5.446 4.465 -0.221) 7.046 4.573 ( -1.736 6.680 -0.638) 6.932 4.685 ( -3.464 2.914 -0.061) 4.527 4.762 ( -2.586 3.728 0.632) 4.581 4.850 ( -2.398 -0.538 -3.360) 4.163 4.885 ( 0.090 1.873 -4.715) 5.074 4.924 ( 0.830 -0.178 2.210) 2.368 5.046 ( 0.270 0.782 0.053) 0.829 5.087 ( -6.744 1.171 -2.455) 7.272 5.208 ( -0.723 -0.214 0.359) 0.835 5.262 ( -0.405 1.358 3.073) 3.384 5.299 ( -1.410 -0.138 0.351) 1.460 5.367 ( -0.265 -2.359 2.068) 3.148 5.422 ( 0.201 -1.629 1.114) 1.984 5.514 ( -6.063 -7.238 0.012) 9.442 5.566 ( 4.275 2.663 -0.989) 5.133 5.710 ( 1.839 2.266 -1.630) 3.343 5.819 ( 0.955 3.540 0.154) 3.669 5.855 ( -2.111 3.482 0.572) 4.112 5.947 ( -0.774 1.638 -0.148) 1.818 6.064 ( 0.039 1.881 2.600) 3.210 6.124 ( -4.387 -1.940 -1.834) 5.135 6.142 ( 2.446 1.803 -0.829) 3.150 6.413 ( -1.582 2.887 0.267) 3.303 6.501 ( -2.234 1.008 0.172) 2.457 6.636 ( -1.233 -0.317 4.568) 4.742 6.771 ( -1.837 -1.723 1.916) 3.165 6.866 ( -4.893 -0.281 -4.288) 6.513 6.999 ( -4.546 -0.149 0.435) 4.569 7.114 ( 4.432 1.149 -2.556) 5.244 7.151 ( 5.925 1.744 2.749) 6.761 7.294 ( -1.941 1.092 -4.569) 5.083 7.469 ( -0.269 -5.338 2.707) 5.992 7.750 ( 0.691 0.564 -4.921) 5.001 7.840 ( 3.637 -2.223 4.365) 6.101 8.163 ( -0.774 1.382 -0.739) 1.748 8.251 ( 2.638 2.759 2.136) 4.374 8.294 ( 3.211 0.200 0.833) 3.323 8.349 ( 1.213 -3.445 -1.356) 3.896 8.462 ( 2.056 3.055 0.550) 3.724 8.484 ( 0.301 -0.820 -1.962) 2.147 8.617 ( 0.558 -0.752 -1.005) 1.374 8.757 ( 3.219 -0.800 3.006) 4.476 8.821 ( 3.290 2.375 -0.485) 4.086 8.944 ( 0.290 -1.920 0.136) 1.947 9.006 ( -0.220 -0.980 -0.420) 1.089 9.055 ( 0.535 -0.895 0.645) 1.226 9.167 ( 0.894 -2.630 3.094) 4.158 9.207 ( -1.194 -1.411 -4.454) 4.822 9.661 ( -2.761 3.032 -0.182) 4.105 9.854 ( -2.412 -0.755 1.403) 2.891 9.996 ( 4.984 -2.105 0.102) 5.411 10.137 ( 3.212 -3.519 2.081) 5.200 10.251 ( -2.511 -1.500 -0.516) 2.970 10.293 ( -2.449 -1.798 -2.763) 4.107 11.076 ( -0.011 1.163 0.481) 1.258 11.094 ( -0.508 0.504 -0.310) 0.780 11.616 ( 5.691 5.017 2.885) 8.117 11.725 ( 2.463 2.647 -4.207) 5.547 12.013 ( 7.976 8.814 -0.391) 11.893 12.141 ( 9.881 5.844 0.876) 11.513 12.391 ( 0.630 3.808 0.399) 3.880 12.425 ( 3.152 3.322 0.346) 4.592 12.976 ( 1.578 2.482 0.016) 2.942 13.019 ( 1.713 1.963 0.229) 2.615 13.529 ( -2.515 3.743 -3.030) 5.433 13.741 ( 3.097 2.827 7.176) 8.311 13.897 ( 2.339 -1.158 -1.978) 3.275 14.232 ( 10.691 -12.802 -1.780) 16.773 14.412 ( -7.584 -2.960 4.177) 9.150 14.493 ( 6.853 -5.740 -4.671) 10.086 14.734 ( 6.360 -7.440 -2.537) 10.111 15.204 ( -0.413 -13.897 5.795) 15.062 15.447 ( -0.048 0.662 -3.839) 3.896 15.788 ( -9.539 -6.038 1.065) 11.339 16.549 ( -12.658 7.279 -2.028) 14.742 16.695 ( -2.332 1.336 -0.760) 2.793 16.713 ( -2.215 -0.539 -0.217) 2.290 16.752 ( -8.929 -0.112 1.503) 9.055 16.867 ( -3.351 1.005 1.785) 3.927 17.268 ( -17.109 -6.213 -0.823) 18.221 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 9.388 9.737 -0.850) 13.552 1.790 ( 9.387 10.567 4.015) 14.694 1.967 ( 3.100 6.982 -3.095) 8.243 2.099 ( 2.347 12.513 -1.189) 12.786 2.179 ( 7.212 4.682 0.148) 8.600 2.234 ( 9.417 1.356 -1.519) 9.634 2.345 ( 6.281 1.590 -1.444) 6.638 2.408 ( 5.639 4.298 0.045) 7.090 2.510 ( 7.781 -0.740 5.004) 9.281 2.603 ( -2.938 0.809 0.152) 3.051 2.665 ( 4.593 1.761 1.875) 5.264 2.698 ( -0.812 3.064 -3.912) 5.035 2.760 ( 3.567 0.425 1.898) 4.063 2.805 ( 7.776 5.055 4.267) 10.209 2.928 ( 1.610 -1.426 -3.599) 4.193 3.066 ( 5.613 7.402 -1.260) 9.375 3.237 ( 6.927 2.297 2.344) 7.665 3.290 ( 0.310 -5.179 -4.337) 6.763 3.521 ( 7.772 0.733 3.226) 8.447 3.623 ( 2.771 -3.921 -1.260) 4.963 3.694 ( 0.242 0.175 -0.582) 0.654 3.724 ( 4.017 -0.219 0.478) 4.051 3.793 ( 1.481 -3.649 -0.136) 3.941 3.932 ( 4.435 -0.742 -1.675) 4.798 4.045 ( -2.740 0.342 -1.630) 3.206 4.207 ( 1.545 -2.918 4.597) 5.660 4.392 ( -3.349 4.455 -4.345) 7.067 4.413 ( 0.222 2.117 6.371) 6.718 4.590 ( -0.175 3.870 1.725) 4.240 4.635 ( -0.139 0.937 -1.836) 2.066 4.697 ( -3.726 3.582 -0.232) 5.174 4.801 ( -3.280 5.629 -3.045) 7.192 4.859 ( 1.809 -3.899 0.371) 4.314 4.927 ( -4.299 0.144 -1.213) 4.469 4.999 ( 3.016 -1.636 -7.626) 8.362 5.085 ( 1.759 -0.691 1.722) 2.557 5.175 ( -3.223 -3.770 0.395) 4.976 5.243 ( -2.704 -2.595 0.149) 3.751 5.282 ( -0.085 1.911 1.669) 2.539 5.363 ( -2.081 -9.338 1.589) 9.698 5.381 ( -3.574 -3.514 3.134) 5.912 5.432 ( 0.892 -1.457 1.403) 2.211 5.669 ( 5.066 1.936 -0.042) 5.423 5.744 ( 1.424 1.441 -3.744) 4.257 5.810 ( 0.214 4.128 2.428) 4.794 5.885 ( 2.282 2.642 -0.161) 3.495 5.925 ( -2.105 2.537 -4.180) 5.323 6.012 ( -3.209 -1.238 2.057) 4.008 6.068 ( -0.523 0.292 3.049) 3.107 6.189 ( 1.484 2.263 -1.391) 3.043 6.359 ( -4.500 3.007 1.190) 5.542 6.483 ( 0.536 5.398 0.891) 5.497 6.589 ( -2.760 1.899 1.648) 3.734 6.738 ( -2.082 -2.195 4.891) 5.751 6.805 ( -0.760 -1.049 -2.016) 2.396 6.942 ( -1.587 -0.077 -4.032) 4.334 7.140 ( -0.220 3.342 -4.627) 5.712 7.215 ( -0.608 2.743 -2.790) 3.959 7.304 ( 3.161 1.507 2.558) 4.336 7.472 ( 0.100 -1.741 4.604) 4.923 7.752 ( 0.431 2.474 -5.369) 5.928 7.910 ( 2.356 -1.497 2.732) 3.906 8.142 ( -0.545 1.945 -0.138) 2.024 8.288 ( -3.022 -0.276 -1.169) 3.252 8.310 ( 3.359 1.026 0.695) 3.580 8.416 ( 4.852 -0.098 3.624) 6.057 8.499 ( 2.168 -0.721 -2.205) 3.176 8.572 ( 6.359 1.868 2.218) 6.989 8.609 ( -0.968 -0.482 -2.979) 3.170 8.790 ( 0.930 0.666 0.738) 1.362 8.898 ( -1.694 0.453 0.560) 1.840 8.923 ( 2.792 1.951 1.198) 3.611 8.976 ( -2.031 -1.448 0.180) 2.501 9.094 ( 1.979 -1.195 -1.775) 2.915 9.181 ( -0.423 -2.610 -2.626) 3.727 9.185 ( 0.065 -2.421 2.265) 3.316 9.620 ( -0.812 3.074 -0.123) 3.182 9.793 ( -3.795 -0.281 0.980) 3.930 10.089 ( 3.554 -4.588 -0.009) 5.804 10.180 ( 0.368 -6.956 1.049) 7.044 10.219 ( -0.232 0.252 -0.006) 0.342 10.256 ( -0.446 -0.500 -1.553) 1.691 11.069 ( -0.621 0.589 0.130) 0.866 11.078 ( -0.951 0.263 -0.052) 0.988 11.717 ( 3.250 3.548 -0.111) 4.812 11.760 ( 1.637 2.016 -0.644) 2.676 12.202 ( 10.711 10.768 -0.499) 15.196 12.352 ( 10.175 7.977 1.496) 13.016 12.448 ( 5.002 7.696 0.665) 9.203 12.518 ( 5.482 5.990 -1.321) 8.226 13.009 ( 1.537 3.080 0.099) 3.444 13.047 ( 0.834 2.680 0.202) 2.814 13.457 ( -3.858 6.149 -2.528) 7.687 13.756 ( -2.389 5.203 7.641) 9.548 13.889 ( -2.632 0.933 -4.314) 5.139 14.159 ( -11.748 3.528 1.036) 12.310 14.473 ( 7.927 -15.656 -3.517) 17.897 14.599 ( 5.046 -9.905 -0.606) 11.132 14.919 ( 10.797 -11.601 1.977) 15.971 15.213 ( 0.560 -3.137 1.016) 3.344 15.499 ( 5.256 -5.856 -1.520) 8.014 15.596 ( -9.284 -5.483 1.151) 10.843 16.217 ( -17.606 6.885 -0.289) 18.906 16.510 ( -14.286 -1.266 -0.191) 14.343 16.659 ( -1.632 -0.609 -0.075) 1.744 16.677 ( -1.568 -0.820 -0.039) 1.770 16.846 ( 0.031 -3.322 0.081) 3.323 17.005 ( -8.356 -6.836 0.087) 10.796 ======================= Grid point 31 (20/70) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.835 6.390 -0.809) 8.691 1.945 ( 5.032 7.097 2.852) 9.156 2.004 ( 0.889 7.823 -2.537) 8.272 2.106 ( -1.033 8.308 0.713) 8.402 2.254 ( 1.458 7.546 0.686) 7.716 2.397 ( 5.200 -0.874 -5.863) 7.886 2.441 ( 2.825 1.507 -3.015) 4.398 2.465 ( -1.807 -0.145 6.186) 6.446 2.527 ( 1.595 -0.738 0.553) 1.842 2.607 ( -1.166 -0.233 -0.711) 1.385 2.697 ( 1.740 -2.322 -0.615) 2.966 2.742 ( 2.181 3.311 1.785) 4.348 2.826 ( 2.333 -4.380 3.429) 6.031 2.926 ( -0.332 0.194 -3.741) 3.761 2.983 ( 6.805 4.514 9.031) 12.176 3.104 ( -1.472 6.256 -9.344) 11.340 3.279 ( 0.307 -5.162 3.018) 5.988 3.333 ( 1.602 -0.549 -2.822) 3.291 3.593 ( -1.716 -0.177 0.085) 1.727 3.606 ( -1.426 -0.957 -0.426) 1.769 3.710 ( 6.489 6.280 0.471) 9.043 3.808 ( -0.752 4.971 1.482) 5.242 3.871 ( 3.581 0.263 2.261) 4.244 3.979 ( -1.887 -2.721 -2.441) 4.114 4.024 ( 3.466 -3.818 -1.825) 5.470 4.186 ( -2.308 -5.486 1.773) 6.210 4.370 ( 0.464 5.221 -0.953) 5.327 4.456 ( 1.696 -4.014 3.848) 5.813 4.558 ( -1.503 3.342 -0.347) 3.681 4.596 ( -3.514 -2.861 0.400) 4.549 4.672 ( 0.646 -0.659 -0.738) 1.182 4.747 ( -0.264 6.178 -3.016) 6.880 4.853 ( -3.173 2.837 0.316) 4.268 4.946 ( 4.856 -4.680 3.307) 7.511 5.033 ( 0.588 -1.962 -9.894) 10.103 5.065 ( -2.464 -5.227 -0.089) 5.779 5.157 ( 0.607 -2.498 4.403) 5.098 5.184 ( -1.608 -2.657 -2.282) 3.854 5.281 ( 0.260 -1.997 2.063) 2.883 5.352 ( -1.093 -10.321 1.706) 10.518 5.370 ( 2.468 1.553 1.784) 3.418 5.440 ( -1.637 0.343 0.967) 1.931 5.714 ( 0.319 3.465 0.193) 3.485 5.770 ( 0.656 1.455 -3.884) 4.199 5.835 ( 1.134 1.606 1.297) 2.355 5.877 ( -0.296 3.487 -3.435) 4.904 5.889 ( -0.955 1.857 1.453) 2.544 6.001 ( 0.224 0.197 0.827) 0.879 6.101 ( 2.637 -2.307 6.130) 7.060 6.177 ( -2.521 -0.880 -4.701) 5.406 6.279 ( -2.357 5.040 1.391) 5.735 6.467 ( -0.948 7.248 -1.561) 7.475 6.622 ( 3.548 4.198 3.402) 6.464 6.720 ( -0.680 0.055 3.554) 3.618 6.775 ( -2.090 -0.224 -1.737) 2.727 6.900 ( -1.253 -1.386 -4.232) 4.626 7.125 ( 0.005 6.475 -1.816) 6.725 7.188 ( -1.224 4.961 -1.198) 5.248 7.346 ( 0.722 -1.214 0.978) 1.718 7.491 ( 0.612 -1.254 3.087) 3.387 7.745 ( -0.124 4.045 -2.817) 4.931 7.948 ( 1.021 -0.837 1.043) 1.682 8.144 ( 0.518 2.754 0.704) 2.890 8.226 ( -2.104 0.792 -1.461) 2.681 8.385 ( 3.167 1.079 0.117) 3.348 8.493 ( 1.205 0.697 5.905) 6.067 8.531 ( 0.233 -0.871 -4.354) 4.446 8.593 ( 1.346 -2.497 -1.141) 3.058 8.689 ( 4.502 1.863 0.606) 4.910 8.773 ( -3.866 4.355 0.141) 5.825 8.862 ( 1.203 -3.051 -0.254) 3.289 8.915 ( -3.199 -1.637 1.325) 3.830 9.010 ( 3.045 1.360 -0.390) 3.358 9.123 ( 1.415 0.608 -1.802) 2.371 9.162 ( -1.293 -0.643 -0.536) 1.540 9.177 ( -0.917 -2.655 1.464) 3.167 9.639 ( 2.595 1.220 0.103) 2.869 9.712 ( -4.126 -0.086 -0.005) 4.127 10.125 ( 0.521 -6.836 -0.006) 6.855 10.179 ( -0.335 -7.957 0.268) 7.969 10.227 ( 0.870 1.300 0.043) 1.564 10.261 ( 0.372 0.533 -0.241) 0.693 11.057 ( -0.441 0.224 -0.145) 0.516 11.063 ( -0.425 0.079 0.146) 0.456 11.744 ( 0.389 2.879 -1.096) 3.105 11.787 ( 0.650 0.202 0.792) 1.045 12.399 ( 7.080 11.717 -0.191) 13.691 12.514 ( 5.327 10.101 2.137) 11.618 12.561 ( 4.357 11.184 0.682) 12.022 12.589 ( 0.792 8.710 -2.563) 9.114 13.033 ( 0.707 3.605 0.253) 3.682 13.050 ( -0.329 3.729 -0.120) 3.745 13.388 ( -2.001 6.666 -1.133) 7.052 13.722 ( -0.943 3.888 5.613) 6.892 13.789 ( -5.162 2.219 -4.301) 7.076 13.979 ( -4.831 4.897 0.167) 6.881 14.561 ( 2.043 -12.836 -2.191) 13.181 14.694 ( 3.058 -15.580 1.194) 15.922 15.125 ( 8.157 -12.500 3.439) 15.317 15.239 ( 1.194 -1.793 -3.525) 4.131 15.443 ( -4.487 1.910 1.794) 5.196 15.565 ( -1.213 0.262 -1.238) 1.753 15.969 ( -4.315 -3.043 0.736) 5.332 16.242 ( -9.912 -6.147 -0.656) 11.682 16.636 ( -0.642 -0.849 0.033) 1.065 16.656 ( -0.507 -1.292 -0.036) 1.388 16.860 ( 1.317 -4.816 -0.005) 4.993 16.902 ( -3.049 -6.100 0.104) 6.821 ======================= Grid point 36 (21/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 7.665 0.000) 7.665 1.551 ( 0.000 -0.884 0.000) 0.884 1.762 ( 0.000 12.261 0.000) 12.261 1.892 ( 0.000 -0.397 0.000) 0.397 1.967 ( 0.000 7.513 0.000) 7.513 2.053 ( 0.000 0.059 0.000) 0.059 2.109 ( 0.000 4.242 0.000) 4.242 2.192 ( 0.000 -3.704 0.000) 3.704 2.303 ( 0.000 13.010 0.000) 13.010 2.453 ( 0.000 -2.927 0.000) 2.927 2.512 ( 0.000 13.510 0.000) 13.510 2.671 ( 0.000 -3.473 0.000) 3.473 2.688 ( 0.000 1.713 0.000) 1.713 2.706 ( 0.000 -0.264 0.000) 0.264 2.763 ( 0.000 2.282 0.000) 2.282 2.956 ( 0.000 -9.825 0.000) 9.825 2.981 ( 0.000 1.822 0.000) 1.822 2.995 ( 0.000 3.392 0.000) 3.392 3.123 ( 0.000 -1.643 0.000) 1.643 3.163 ( 0.000 -5.403 0.000) 5.403 3.509 ( 0.000 13.583 0.000) 13.583 3.735 ( 0.000 -6.528 0.000) 6.528 3.893 ( 0.000 4.375 0.000) 4.375 3.990 ( 0.000 -4.446 0.000) 4.446 4.014 ( 0.000 -0.545 0.000) 0.545 4.026 ( 0.000 -0.161 0.000) 0.161 4.487 ( 0.000 5.514 0.000) 5.514 4.603 ( 0.000 -4.627 0.000) 4.627 4.808 ( 0.000 5.068 0.000) 5.068 4.818 ( 0.000 4.549 0.000) 4.549 4.859 ( 0.000 1.330 0.000) 1.330 4.868 ( 0.000 -0.509 0.000) 0.509 4.983 ( 0.000 3.736 0.000) 3.736 5.031 ( 0.000 -0.834 0.000) 0.834 5.127 ( 0.000 4.445 0.000) 4.445 5.195 ( 0.000 -3.079 0.000) 3.079 5.202 ( 0.000 -0.629 0.000) 0.629 5.258 ( 0.000 -4.131 0.000) 4.131 5.301 ( 0.000 4.347 0.000) 4.347 5.394 ( 0.000 -3.941 0.000) 3.941 5.523 ( 0.000 1.077 0.000) 1.077 5.527 ( 0.000 0.560 0.000) 0.560 5.658 ( 0.000 7.254 0.000) 7.254 5.764 ( 0.000 -1.460 0.000) 1.460 5.951 ( 0.000 3.466 0.000) 3.466 5.953 ( 0.000 1.420 0.000) 1.420 5.981 ( 0.000 1.012 0.000) 1.012 6.019 ( 0.000 -1.461 0.000) 1.461 6.107 ( 0.000 3.576 0.000) 3.576 6.168 ( 0.000 -1.665 0.000) 1.665 6.429 ( 0.000 0.978 0.000) 0.978 6.470 ( 0.000 -3.387 0.000) 3.387 6.796 ( 0.000 0.694 0.000) 0.694 6.837 ( 0.000 -2.570 0.000) 2.570 6.927 ( 0.000 0.771 0.000) 0.771 6.940 ( 0.000 3.120 0.000) 3.120 6.988 ( 0.000 0.043 0.000) 0.043 7.095 ( 0.000 -6.962 0.000) 6.962 7.255 ( 0.000 2.431 0.000) 2.431 7.360 ( 0.000 -7.094 0.000) 7.094 7.768 ( 0.000 2.576 0.000) 2.576 7.825 ( 0.000 -2.062 0.000) 2.062 8.062 ( 0.000 0.305 0.000) 0.305 8.092 ( 0.000 -2.025 0.000) 2.025 8.234 ( 0.000 4.732 0.000) 4.732 8.356 ( 0.000 -5.889 0.000) 5.889 8.428 ( 0.000 4.405 0.000) 4.405 8.515 ( 0.000 -2.950 0.000) 2.950 8.561 ( 0.000 0.790 0.000) 0.790 8.593 ( 0.000 -1.959 0.000) 1.959 8.828 ( 0.000 2.573 0.000) 2.573 8.887 ( 0.000 -3.207 0.000) 3.207 8.947 ( 0.000 4.204 0.000) 4.204 9.029 ( 0.000 -3.516 0.000) 3.516 9.211 ( 0.000 0.533 0.000) 0.533 9.217 ( 0.000 0.030 0.000) 0.030 9.761 ( 0.000 -0.282 0.000) 0.282 9.761 ( 0.000 -0.296 0.000) 0.296 9.993 ( 0.000 0.458 0.000) 0.458 10.001 ( 0.000 -0.508 0.000) 0.508 10.312 ( 0.000 0.098 0.000) 0.098 10.331 ( 0.000 -1.784 0.000) 1.784 11.091 ( 0.000 0.947 0.000) 0.947 11.102 ( 0.000 -0.039 0.000) 0.039 11.566 ( 0.000 4.421 0.000) 4.421 11.643 ( 0.000 -2.645 0.000) 2.645 11.975 ( 0.000 3.512 0.000) 3.512 11.988 ( 0.000 2.181 0.000) 2.181 12.440 ( 0.000 1.851 0.000) 1.851 12.450 ( 0.000 0.788 0.000) 0.788 12.978 ( 0.000 0.881 0.000) 0.881 12.983 ( 0.000 0.393 0.000) 0.393 13.559 ( 0.000 3.078 0.000) 3.078 13.581 ( 0.000 -0.584 0.000) 0.584 13.613 ( 0.000 -3.601 0.000) 3.601 13.683 ( 0.000 -8.776 0.000) 8.776 14.369 ( 0.000 2.196 0.000) 2.196 14.420 ( 0.000 -2.812 0.000) 2.812 14.715 ( 0.000 3.798 0.000) 3.798 14.899 ( 0.000 -13.643 0.000) 13.643 15.686 ( 0.000 9.190 0.000) 9.190 15.865 ( 0.000 -8.042 0.000) 8.042 16.737 ( 0.000 0.837 0.000) 0.837 16.745 ( 0.000 -0.009 0.000) 0.009 16.797 ( 0.000 0.884 0.000) 0.884 16.827 ( 0.000 -1.896 0.000) 1.896 17.369 ( 0.000 11.096 0.000) 11.096 17.575 ( 0.000 -9.153 0.000) 9.153 ======================= Grid point 37 (22/70) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 10.067 8.484 0.384) 13.171 1.671 ( 10.507 -0.069 -1.731) 10.648 1.809 ( 4.452 10.863 -0.005) 11.740 1.942 ( 3.425 -1.186 -1.809) 4.051 1.986 ( 3.452 5.427 4.150) 7.654 2.070 ( 2.147 -1.046 -0.463) 2.432 2.183 ( 6.571 4.143 0.206) 7.771 2.236 ( 4.748 2.233 -1.492) 5.455 2.376 ( 6.139 7.042 2.891) 9.780 2.484 ( 1.925 2.986 -4.222) 5.518 2.552 ( 3.268 7.237 3.051) 8.506 2.704 ( 1.355 -1.118 1.271) 2.169 2.739 ( 5.964 2.161 0.527) 6.365 2.764 ( 5.490 -0.963 0.274) 5.581 2.826 ( 4.013 2.592 1.481) 5.002 2.922 ( -2.337 -1.671 -3.440) 4.482 2.985 ( 0.339 2.538 -1.922) 3.202 3.028 ( 7.109 -5.714 -0.888) 9.164 3.182 ( 5.195 -1.294 2.933) 6.104 3.240 ( 5.205 -5.962 5.337) 9.545 3.521 ( 1.324 10.604 -3.709) 11.311 3.689 ( -2.661 -4.291 -6.739) 8.421 3.932 ( 0.372 3.864 2.914) 4.854 3.975 ( -1.953 -0.557 -1.962) 2.824 3.993 ( -1.556 -0.841 2.133) 2.771 4.012 ( 1.564 -4.738 2.075) 5.404 4.485 ( 0.182 6.028 1.146) 6.139 4.608 ( -0.155 -5.101 0.092) 5.104 4.726 ( -4.570 5.676 -3.227) 7.969 4.797 ( -2.173 2.271 -0.598) 3.200 4.841 ( -1.644 0.420 -1.230) 2.096 4.876 ( -0.837 -1.823 -2.723) 3.382 4.972 ( -2.038 3.231 -0.981) 3.944 5.012 ( -0.243 1.406 1.126) 1.817 5.088 ( -3.608 4.101 0.703) 5.507 5.162 ( -1.972 -1.891 0.965) 2.898 5.239 ( 1.220 0.498 2.529) 2.852 5.274 ( 0.152 -2.210 1.830) 2.873 5.338 ( 2.094 2.986 1.282) 3.866 5.389 ( -1.136 -0.786 -1.693) 2.185 5.440 ( -5.468 0.607 0.478) 5.522 5.475 ( -5.288 -4.052 1.263) 6.781 5.637 ( -1.179 6.459 -0.622) 6.595 5.738 ( -1.850 -1.908 -2.175) 3.434 5.892 ( -1.448 3.316 1.604) 3.958 5.937 ( -1.292 -0.509 1.305) 1.906 6.040 ( -1.157 3.825 0.323) 4.009 6.066 ( 3.901 1.602 0.885) 4.309 6.110 ( 1.761 0.549 -2.296) 2.945 6.149 ( -1.623 -2.199 -1.248) 3.005 6.447 ( 2.034 0.570 0.589) 2.193 6.465 ( 0.670 -1.390 0.530) 1.631 6.722 ( -4.811 2.240 -1.262) 5.455 6.785 ( -3.722 -3.140 -0.669) 4.916 6.931 ( -2.490 -1.614 -2.476) 3.865 6.956 ( -2.166 -4.209 0.544) 4.765 7.058 ( 7.576 5.128 3.111) 9.663 7.137 ( 3.713 -0.646 2.331) 4.431 7.267 ( 2.067 0.133 0.302) 2.093 7.346 ( -0.933 -5.879 -2.135) 6.324 7.738 ( -0.402 1.211 0.057) 1.278 7.774 ( -2.297 -1.973 -0.865) 3.149 8.145 ( 5.694 1.298 -0.090) 5.840 8.189 ( 5.816 -3.075 1.052) 6.662 8.263 ( 2.284 4.331 1.204) 5.042 8.317 ( -2.414 0.114 -1.405) 2.795 8.461 ( 2.275 -0.052 -1.337) 2.639 8.489 ( -1.506 -2.455 -1.910) 3.456 8.581 ( 1.683 0.891 2.636) 3.252 8.618 ( 2.380 -2.402 4.214) 5.403 8.839 ( 1.173 1.497 -3.837) 4.282 8.865 ( 0.131 -1.178 -4.365) 4.523 8.988 ( 2.048 2.153 4.121) 5.080 9.045 ( 0.783 -2.801 3.339) 4.427 9.176 ( -2.235 1.873 -0.917) 3.057 9.212 ( -0.935 -1.351 -2.742) 3.196 9.750 ( -0.398 1.870 0.009) 1.912 9.793 ( 1.895 -2.345 -0.087) 3.016 9.981 ( -0.523 1.773 1.077) 2.140 10.021 ( 1.398 -2.110 1.280) 2.836 10.287 ( -2.149 0.104 -0.725) 2.270 10.307 ( -2.082 -1.736 -1.378) 3.041 11.095 ( 0.173 0.845 0.246) 0.897 11.104 ( 0.086 -0.046 0.002) 0.097 11.610 ( 3.979 4.377 0.874) 5.979 11.679 ( 3.345 -2.018 -1.030) 4.040 12.023 ( 5.024 4.297 -0.634) 6.642 12.050 ( 6.096 1.703 -0.411) 6.343 12.439 ( 0.257 1.623 0.968) 1.907 12.442 ( -0.344 1.167 0.367) 1.271 12.989 ( 1.248 1.421 0.046) 1.892 13.004 ( 1.664 0.141 0.119) 1.674 13.596 ( 2.422 2.818 -1.125) 3.882 13.647 ( 7.347 2.922 1.600) 8.067 13.693 ( 6.127 -5.903 0.796) 8.545 13.773 ( 8.333 -9.056 -0.243) 12.309 14.375 ( 1.012 1.884 -1.376) 2.543 14.432 ( 0.821 -2.969 0.150) 3.084 14.684 ( -2.681 3.704 -0.626) 4.615 14.874 ( -2.135 -14.096 0.723) 14.275 15.645 ( -3.854 8.454 -0.423) 9.300 15.809 ( -5.335 -7.399 0.171) 9.124 16.718 ( -1.891 1.223 0.623) 2.337 16.738 ( -1.064 -0.555 0.200) 1.217 16.770 ( -2.477 1.027 -0.029) 2.682 16.803 ( -2.178 -1.994 -1.395) 3.266 17.253 ( -11.215 10.521 0.893) 15.403 17.446 ( -12.334 -8.357 -0.188) 14.900 ======================= Grid point 38 (23/70) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 11.326 9.790 0.301) 14.974 1.845 ( 5.841 8.349 -2.308) 10.447 1.960 ( 8.978 0.175 0.679) 9.005 2.005 ( 5.545 -1.274 -1.725) 5.945 2.124 ( 7.703 1.513 2.417) 8.214 2.157 ( 6.879 -0.453 -0.623) 6.922 2.320 ( 5.303 5.671 4.956) 9.211 2.378 ( 8.601 3.136 0.650) 9.178 2.466 ( 0.294 6.752 -3.260) 7.503 2.519 ( 3.856 1.310 1.611) 4.379 2.660 ( 5.541 -0.256 4.663) 7.247 2.716 ( -0.939 -0.261 0.141) 0.984 2.788 ( 0.235 3.497 -4.531) 5.728 2.840 ( 0.644 -1.875 -3.962) 4.431 2.865 ( 2.588 4.360 0.193) 5.074 2.988 ( 5.730 -3.845 3.863) 7.908 3.102 ( 10.933 5.736 0.458) 12.355 3.202 ( 7.449 -1.906 -2.986) 8.249 3.319 ( 8.739 -4.040 -2.338) 9.908 3.350 ( 5.155 -6.558 4.692) 9.571 3.553 ( 3.589 5.107 -3.140) 6.987 3.662 ( 2.087 -4.725 -2.929) 5.938 3.859 ( -4.462 3.005 -0.922) 5.458 3.906 ( -3.703 -1.859 -1.444) 4.388 4.057 ( 2.872 0.445 4.066) 4.998 4.080 ( 4.618 -1.671 6.414) 8.078 4.499 ( -0.020 4.638 -0.704) 4.691 4.582 ( -2.348 -0.473 -0.955) 2.579 4.639 ( -3.763 2.721 -1.324) 4.829 4.723 ( -4.370 -2.365 -0.612) 5.007 4.795 ( -2.262 1.746 -6.504) 7.104 4.825 ( -2.149 0.764 -1.577) 2.773 4.957 ( -0.630 2.561 0.710) 2.731 5.007 ( 0.689 4.127 1.209) 4.356 5.027 ( -1.882 0.733 -0.070) 2.020 5.112 ( -5.749 0.420 0.647) 5.801 5.180 ( -4.185 -0.940 -0.227) 4.295 5.250 ( -4.123 -3.729 5.377) 7.735 5.307 ( -4.378 -0.801 2.252) 4.988 5.343 ( -4.634 -0.804 0.074) 4.704 5.370 ( -1.200 -1.197 0.382) 1.737 5.401 ( -1.439 -1.597 0.244) 2.164 5.645 ( 2.561 4.323 -2.646) 5.679 5.718 ( 0.935 -2.012 -2.911) 3.660 5.900 ( 1.417 3.108 2.410) 4.180 5.925 ( -0.545 1.474 -0.411) 1.624 5.997 ( -1.790 3.584 2.540) 4.743 6.063 ( -3.668 -2.050 1.997) 4.652 6.126 ( 0.624 2.579 -5.971) 6.534 6.172 ( 3.294 -0.334 -2.996) 4.465 6.476 ( -0.032 2.853 2.767) 3.975 6.525 ( 2.944 -0.486 3.710) 4.761 6.624 ( -4.303 2.003 2.970) 5.600 6.717 ( -2.581 -4.200 3.177) 5.865 6.844 ( -3.928 -0.134 -5.557) 6.807 6.899 ( -2.198 -5.426 -2.575) 6.395 7.193 ( 2.779 4.164 -0.490) 5.031 7.212 ( 4.399 2.141 0.633) 4.933 7.314 ( 1.585 0.825 -2.137) 2.786 7.363 ( 3.490 -4.283 2.443) 6.041 7.758 ( 1.879 0.608 -2.676) 3.326 7.789 ( 3.320 -2.345 1.508) 4.336 8.206 ( -0.447 2.653 -1.131) 2.918 8.267 ( 0.622 -3.198 -0.253) 3.268 8.282 ( 1.866 1.617 0.758) 2.583 8.319 ( 2.537 -0.851 2.968) 3.996 8.486 ( 1.524 1.729 -3.293) 4.019 8.514 ( 3.689 0.720 -0.555) 3.799 8.611 ( 0.768 1.263 1.713) 2.262 8.687 ( 2.372 -4.908 2.901) 6.175 8.870 ( 3.648 2.256 -1.304) 4.484 8.909 ( 3.798 -1.511 -0.358) 4.103 9.017 ( -0.090 1.440 1.418) 2.023 9.047 ( -1.166 -0.899 0.935) 1.744 9.143 ( -0.458 0.680 -0.085) 0.824 9.175 ( -1.790 -1.755 -3.387) 4.214 9.735 ( -1.188 3.946 0.179) 4.125 9.813 ( -0.381 -3.289 0.541) 3.354 9.991 ( 1.212 1.703 0.960) 2.300 10.053 ( 0.981 -3.986 1.450) 4.354 10.240 ( -1.822 0.244 -1.017) 2.101 10.258 ( -1.926 -1.442 -1.758) 2.980 11.093 ( -0.478 0.554 0.305) 0.793 11.099 ( -0.642 -0.021 0.000) 0.643 11.705 ( 4.591 3.417 0.927) 5.798 11.748 ( 3.169 -0.560 -1.540) 3.568 12.172 ( 9.807 5.807 -0.817) 11.426 12.222 ( 10.857 1.156 -0.217) 10.921 12.467 ( 3.414 2.813 0.941) 4.522 12.482 ( 4.424 1.447 0.572) 4.689 13.024 ( 2.059 1.873 0.128) 2.786 13.043 ( 2.101 0.167 0.208) 2.118 13.636 ( 0.991 6.909 -1.230) 7.087 13.799 ( 2.947 -6.958 0.902) 7.610 13.819 ( 8.101 4.381 2.692) 9.595 13.974 ( 10.865 -10.372 -0.350) 15.025 14.388 ( -2.637 0.132 -3.102) 4.073 14.426 ( -0.798 -1.858 0.332) 2.049 14.651 ( 1.657 2.560 -0.269) 3.061 14.861 ( 2.272 -15.630 0.542) 15.804 15.551 ( -4.703 6.420 -0.348) 7.966 15.675 ( -7.476 -5.489 0.650) 9.298 16.640 ( -7.641 2.658 -0.418) 8.100 16.684 ( -5.154 -1.642 -0.183) 5.412 16.720 ( -2.213 0.680 -0.398) 2.349 16.738 ( -3.945 -1.084 -0.274) 4.101 16.977 ( -13.947 7.810 1.351) 16.042 17.133 ( -16.846 -7.028 -0.184) 18.254 ======================= Grid point 39 (24/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 5.215 7.330 -1.937) 9.202 1.996 ( 7.192 7.950 -0.525) 10.733 2.051 ( 3.195 1.191 0.284) 3.422 2.179 ( 6.579 -5.357 1.653) 8.643 2.273 ( 6.484 3.139 2.031) 7.485 2.320 ( 8.584 -0.933 -0.319) 8.640 2.357 ( 0.014 10.571 0.992) 10.618 2.496 ( -0.534 1.411 0.984) 1.801 2.518 ( 3.528 1.170 1.749) 4.108 2.570 ( 4.261 -5.189 3.373) 7.514 2.652 ( -2.831 0.584 -3.485) 4.528 2.695 ( -3.511 -2.393 -6.292) 7.592 2.835 ( 3.149 4.071 -0.469) 5.168 2.888 ( 2.531 -1.932 -1.104) 3.370 2.924 ( 6.572 7.144 4.115) 10.543 3.090 ( 3.533 -7.269 5.144) 9.580 3.234 ( 1.762 4.637 -4.788) 6.894 3.303 ( 4.222 -0.199 -3.189) 5.295 3.480 ( 8.983 -1.382 1.060) 9.151 3.533 ( 8.086 -4.782 0.071) 9.395 3.676 ( 8.237 1.293 -0.860) 8.383 3.726 ( 3.012 -3.039 -0.855) 4.363 3.783 ( -2.217 3.675 -1.383) 4.509 3.867 ( 1.643 -4.197 1.041) 4.625 4.090 ( -1.067 3.006 1.965) 3.747 4.153 ( -0.065 -2.788 4.500) 5.294 4.437 ( -4.037 3.217 -0.547) 5.191 4.500 ( -4.899 -0.083 -0.466) 4.922 4.606 ( -0.252 2.098 -0.032) 2.113 4.668 ( -2.280 -0.507 -1.052) 2.562 4.748 ( -3.315 1.669 -3.294) 4.962 4.783 ( 0.228 -1.864 0.806) 2.044 4.930 ( -5.601 4.343 -0.536) 7.108 4.955 ( -0.799 2.651 -3.523) 4.481 5.010 ( -1.225 0.096 -3.178) 3.407 5.048 ( 0.254 -3.569 -0.809) 3.668 5.101 ( -2.092 0.114 3.163) 3.794 5.177 ( -3.748 -4.052 1.734) 5.786 5.244 ( -2.778 -1.374 3.234) 4.479 5.263 ( -2.575 -2.245 3.595) 4.959 5.361 ( 0.624 0.561 1.484) 1.704 5.391 ( 0.935 -2.156 0.229) 2.361 5.716 ( 4.313 2.442 -2.671) 5.631 5.754 ( 2.844 -0.958 -3.905) 4.925 5.901 ( -1.481 3.503 -0.847) 3.897 5.927 ( 0.319 1.063 -1.322) 1.726 5.983 ( -2.121 1.405 3.254) 4.130 5.998 ( -0.985 -0.403 3.007) 3.190 6.116 ( -0.945 4.796 -3.192) 5.838 6.201 ( -0.474 -1.945 -3.423) 3.965 6.435 ( -2.873 4.851 2.795) 6.293 6.545 ( -1.133 -4.430 2.279) 5.108 6.614 ( 2.286 5.501 6.371) 8.722 6.712 ( 0.354 -2.067 6.571) 6.898 6.790 ( -0.329 1.268 -6.635) 6.763 6.870 ( -0.322 -5.065 -5.994) 7.854 7.216 ( 0.749 3.227 -1.883) 3.811 7.250 ( 0.482 0.124 -1.736) 1.805 7.357 ( 1.632 3.401 -0.064) 3.773 7.425 ( 1.443 -2.871 3.259) 4.577 7.797 ( 2.008 2.336 -2.560) 4.005 7.856 ( 2.645 -3.223 0.860) 4.257 8.188 ( -0.181 2.682 -0.093) 2.690 8.248 ( -1.146 -2.828 -0.375) 3.074 8.340 ( 3.265 1.998 1.019) 3.961 8.394 ( 3.493 -2.764 3.601) 5.728 8.513 ( 1.266 2.818 -1.615) 3.486 8.574 ( 0.896 -2.307 -2.082) 3.234 8.646 ( 3.912 3.934 0.594) 5.580 8.733 ( 2.696 -4.281 0.877) 5.135 8.948 ( 0.543 1.692 2.373) 2.965 8.952 ( -1.654 1.123 1.340) 2.407 8.981 ( 0.050 1.997 -2.120) 2.913 9.046 ( 1.764 -3.269 -1.173) 3.895 9.146 ( -0.305 -0.493 -1.324) 1.445 9.152 ( 0.821 -0.980 0.419) 1.345 9.709 ( -1.136 4.865 0.164) 4.999 9.784 ( -2.374 -1.597 0.598) 2.923 10.009 ( 0.089 -1.703 0.058) 1.707 10.049 ( -1.281 -4.971 0.432) 5.152 10.228 ( 0.679 0.647 -0.365) 1.006 10.244 ( 0.760 -0.761 -0.721) 1.295 11.078 ( -0.998 0.247 0.124) 1.035 11.080 ( -1.102 -0.003 0.056) 1.104 11.771 ( 1.774 1.706 -0.000) 2.461 11.786 ( 0.972 0.313 -0.804) 1.299 12.396 ( 12.063 7.186 -0.061) 14.041 12.460 ( 12.041 1.474 0.641) 12.148 12.588 ( 7.909 4.662 0.483) 9.193 12.612 ( 7.751 2.256 -0.710) 8.104 13.066 ( 1.931 2.069 0.242) 2.840 13.083 ( 1.689 0.550 0.246) 1.794 13.619 ( -2.181 9.522 -1.022) 9.822 13.800 ( -2.368 -5.746 0.486) 6.234 13.927 ( 0.913 7.781 2.534) 8.234 14.148 ( 2.027 -12.927 -0.156) 13.086 14.255 ( -3.698 4.350 -2.015) 6.054 14.396 ( -1.607 -9.085 -0.384) 9.234 14.779 ( 9.281 1.010 0.719) 9.364 14.972 ( 7.128 -15.040 -1.276) 16.693 15.489 ( -0.813 3.260 0.536) 3.402 15.548 ( -4.200 -2.015 0.807) 4.728 16.357 ( -18.902 5.943 -0.776) 19.829 16.455 ( -17.054 -3.740 -0.389) 17.463 16.673 ( -2.433 0.909 0.604) 2.666 16.677 ( -1.832 0.440 -0.190) 1.893 16.816 ( -3.168 0.858 0.347) 3.300 16.882 ( -7.013 -4.999 -0.058) 8.612 ======================= Grid point 40 (25/70) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 3.934 4.265 -2.323) 6.250 2.087 ( -0.463 3.245 2.789) 4.304 2.103 ( 3.915 3.853 -1.794) 5.779 2.214 ( -1.346 -1.566 1.990) 2.868 2.366 ( 1.215 4.886 -1.103) 5.154 2.415 ( 4.092 4.706 5.481) 8.303 2.444 ( -0.613 -0.341 -2.381) 2.483 2.463 ( 3.238 0.471 0.892) 3.391 2.545 ( 0.036 1.872 -0.275) 1.892 2.597 ( -3.053 -3.083 -5.336) 6.877 2.620 ( -0.853 -2.870 -0.883) 3.122 2.650 ( 1.985 -7.033 1.168) 7.401 2.879 ( 1.218 4.178 0.577) 4.390 2.915 ( 0.642 -0.289 -0.113) 0.713 3.081 ( 6.540 3.730 6.853) 10.181 3.158 ( 1.254 -3.874 1.576) 4.366 3.243 ( 0.358 4.351 -3.395) 5.530 3.312 ( -1.691 -1.991 -4.128) 4.885 3.575 ( -0.165 -0.808 -0.645) 1.047 3.578 ( -0.505 -1.052 -1.473) 1.879 3.819 ( 7.365 3.539 1.994) 8.411 3.843 ( 6.127 1.454 -1.322) 6.434 3.850 ( 7.233 -1.489 0.888) 7.437 3.939 ( 3.506 -4.372 0.742) 5.653 4.008 ( -6.607 2.836 -0.804) 7.234 4.074 ( -7.048 -4.182 0.629) 8.219 4.397 ( -0.507 -0.425 1.529) 1.666 4.426 ( -2.645 -2.064 1.647) 3.738 4.569 ( -3.071 1.828 -0.376) 3.594 4.596 ( -2.820 0.151 -0.508) 2.869 4.690 ( -0.678 3.679 -0.758) 3.817 4.812 ( 0.741 -7.058 0.159) 7.099 4.878 ( 1.309 5.596 -2.533) 6.280 4.950 ( -1.807 5.890 0.834) 6.217 4.970 ( 0.643 -3.237 -5.017) 6.005 5.056 ( 0.072 1.151 0.369) 1.211 5.099 ( -0.408 -6.267 0.320) 6.289 5.104 ( -2.214 -2.527 1.334) 3.615 5.224 ( -0.088 -0.771 1.673) 1.845 5.241 ( -0.840 -1.561 1.970) 2.650 5.402 ( 2.984 1.267 1.011) 3.396 5.430 ( 1.063 -1.313 1.971) 2.596 5.766 ( 0.594 1.177 -1.377) 1.906 5.776 ( -0.502 -0.213 -3.700) 3.740 5.893 ( 1.233 2.591 1.503) 3.240 5.912 ( -0.276 0.736 -0.680) 1.040 5.969 ( 0.264 3.433 0.454) 3.473 6.005 ( 0.311 -0.330 1.304) 1.380 6.084 ( -0.759 1.300 1.373) 2.038 6.136 ( -4.223 -2.663 -4.048) 6.428 6.416 ( 0.048 7.482 1.349) 7.603 6.540 ( 0.071 -2.645 0.109) 2.648 6.689 ( 3.320 3.596 7.840) 9.242 6.735 ( 0.574 1.889 1.605) 2.544 6.771 ( -1.222 -0.142 -2.860) 3.113 6.844 ( -0.879 -4.078 -6.332) 7.583 7.231 ( 1.083 3.540 -0.493) 3.734 7.257 ( 0.147 1.230 -0.274) 1.268 7.360 ( -0.593 2.692 -0.395) 2.785 7.435 ( -0.409 -3.832 1.545) 4.152 7.819 ( 0.609 3.439 -1.163) 3.681 7.893 ( 0.945 -3.649 0.177) 3.774 8.196 ( 0.539 2.211 0.541) 2.339 8.229 ( -0.652 -0.754 -0.506) 1.118 8.405 ( 2.454 1.484 0.435) 2.901 8.461 ( 2.013 -3.661 1.910) 4.594 8.527 ( 0.426 1.510 0.362) 1.610 8.560 ( -0.886 -1.287 -1.469) 2.144 8.743 ( 4.682 2.744 -0.225) 5.432 8.794 ( 2.619 -2.372 0.157) 3.537 8.861 ( -4.747 3.237 -0.220) 5.750 8.905 ( -2.791 -0.682 0.141) 2.876 9.027 ( 1.646 1.111 -0.219) 1.998 9.080 ( 0.998 -3.747 -0.079) 3.878 9.149 ( 0.442 0.882 -0.092) 0.991 9.166 ( 0.246 -0.539 0.263) 0.649 9.702 ( 0.549 3.752 0.093) 3.793 9.733 ( -2.366 1.059 -0.040) 2.592 10.002 ( -0.397 -3.816 -0.006) 3.837 10.026 ( -0.765 -5.773 0.051) 5.824 10.249 ( 0.868 0.858 -0.005) 1.221 10.262 ( 0.676 -0.414 -0.118) 0.801 11.060 ( -0.550 0.138 -0.037) 0.568 11.063 ( -0.526 -0.076 0.080) 0.537 11.786 ( 0.151 1.139 -0.420) 1.223 11.794 ( 0.103 0.212 0.071) 0.246 12.601 ( 6.562 7.156 0.304) 9.714 12.659 ( 6.352 2.372 1.481) 6.941 12.729 ( 4.014 4.820 -1.627) 6.480 12.741 ( 4.526 4.317 -0.117) 6.256 13.095 ( 0.825 2.121 0.243) 2.288 13.106 ( 0.568 1.255 0.071) 1.380 13.571 ( -1.619 10.721 -0.500) 10.854 13.743 ( -2.286 -3.765 -0.147) 4.407 13.882 ( -3.319 7.674 1.138) 8.438 14.024 ( -5.663 -2.662 -0.188) 6.260 14.316 ( 2.932 -6.152 -1.409) 6.959 14.399 ( 0.997 -11.505 1.054) 11.596 14.942 ( 5.277 -2.145 0.595) 5.727 15.066 ( 1.825 -11.580 -1.341) 11.799 15.512 ( 2.562 3.656 1.140) 4.607 15.559 ( 3.621 -0.827 0.018) 3.714 16.014 ( -11.794 5.025 -0.197) 12.822 16.124 ( -12.490 -5.414 -0.429) 13.620 16.641 ( -0.834 0.900 0.159) 1.237 16.651 ( -0.699 0.151 -0.028) 0.715 16.789 ( -0.207 -1.616 0.207) 1.642 16.807 ( -1.694 -3.101 -0.182) 3.538 ======================= Grid point 81 (26/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 8.684 0.000 16.663) 18.790 0.493 ( 0.186 0.000 19.604) 19.605 0.743 ( -2.847 0.000 -11.254) 11.608 1.001 ( -1.379 0.000 -18.748) 18.799 1.011 ( -0.144 0.000 44.038) 44.038 1.223 ( -3.682 0.000 8.733) 9.477 1.397 ( 15.921 0.000 -7.669) 17.672 1.590 ( 1.901 0.000 -0.977) 2.137 1.879 ( 4.772 0.000 2.885) 5.577 1.914 ( 11.519 0.000 15.267) 19.125 1.951 ( 3.467 0.000 -2.001) 4.003 1.982 ( -0.944 0.000 -4.291) 4.394 2.057 ( -5.038 0.000 -23.302) 23.840 2.248 ( -9.165 0.000 -15.138) 17.696 2.460 ( 2.932 0.000 2.493) 3.848 2.508 ( -3.047 0.000 -1.781) 3.529 2.842 ( 1.860 0.000 6.277) 6.547 3.017 ( -3.152 0.000 -9.782) 10.277 3.452 ( 2.006 0.000 3.576) 4.100 3.458 ( 2.271 0.000 2.407) 3.310 3.598 ( 1.125 0.000 5.547) 5.660 3.713 ( -7.036 0.000 -4.988) 8.624 3.849 ( -4.505 0.000 -0.031) 4.505 3.867 ( 3.302 0.000 -1.664) 3.698 4.144 ( -0.411 0.000 4.002) 4.023 4.258 ( -2.306 0.000 -6.848) 7.226 4.519 ( -2.168 0.000 7.466) 7.774 4.588 ( 2.542 0.000 -0.345) 2.566 4.614 ( 8.935 0.000 5.999) 10.762 4.694 ( -2.233 0.000 -0.283) 2.251 4.743 ( -0.661 0.000 1.494) 1.634 4.766 ( -5.683 0.000 -1.575) 5.897 4.846 ( -0.647 0.000 2.478) 2.562 4.903 ( 6.966 0.000 1.982) 7.242 4.983 ( 1.487 0.000 1.498) 2.111 4.998 ( -7.738 0.000 1.498) 7.881 5.108 ( 2.756 0.000 -4.096) 4.937 5.125 ( 0.283 0.000 1.525) 1.551 5.131 ( -3.270 0.000 -5.038) 6.006 5.192 ( -0.927 0.000 -4.195) 4.296 5.269 ( 4.566 0.000 3.981) 6.058 5.314 ( 0.380 0.000 0.460) 0.596 5.521 ( -1.757 0.000 11.229) 11.366 5.683 ( -4.253 0.000 -2.561) 4.965 5.720 ( 2.768 0.000 -3.410) 4.392 5.875 ( 1.602 0.000 -10.705) 10.824 5.928 ( 5.398 0.000 3.746) 6.570 5.946 ( -3.660 0.000 -4.242) 5.603 6.048 ( -1.833 0.000 -0.035) 1.833 6.139 ( -5.683 0.000 -8.332) 10.085 6.304 ( -0.516 0.000 4.425) 4.455 6.372 ( -0.002 0.000 -1.882) 1.882 6.638 ( 12.963 0.000 12.047) 17.697 6.819 ( -9.425 0.000 -0.509) 9.439 6.907 ( -2.011 0.000 -4.838) 5.239 6.931 ( -0.353 0.000 -2.828) 2.850 7.110 ( 9.115 0.000 3.829) 9.887 7.223 ( -14.474 0.000 -5.370) 15.438 7.454 ( -0.099 0.000 10.525) 10.526 7.676 ( 0.335 0.000 -8.608) 8.614 7.758 ( 1.273 0.000 1.960) 2.337 7.759 ( 0.013 0.000 2.480) 2.481 8.152 ( -0.958 0.000 1.396) 1.692 8.177 ( -4.766 0.000 -0.746) 4.824 8.275 ( 1.614 0.000 -0.207) 1.627 8.294 ( -1.915 0.000 -2.909) 3.482 8.562 ( 1.391 0.000 7.796) 7.920 8.618 ( -0.496 0.000 -0.582) 0.765 8.628 ( 1.607 0.000 0.213) 1.621 8.740 ( -1.915 0.000 -6.797) 7.062 8.872 ( 17.880 0.000 0.674) 17.892 8.885 ( -5.048 0.000 -0.408) 5.065 9.234 ( 0.117 0.000 0.085) 0.144 9.239 ( -0.290 0.000 -0.314) 0.427 9.545 ( 2.875 0.000 2.515) 3.820 9.595 ( -7.844 0.000 -1.973) 8.088 9.791 ( 0.209 0.000 1.877) 1.888 9.832 ( 2.035 0.000 -1.711) 2.659 9.914 ( -0.489 0.000 1.507) 1.585 9.952 ( 0.900 0.000 -1.820) 2.030 10.409 ( -2.669 0.000 3.740) 4.594 10.491 ( 4.582 0.000 -3.398) 5.704 10.969 ( 1.353 0.000 2.181) 2.567 11.027 ( -1.924 0.000 -3.160) 3.700 11.285 ( 2.208 0.000 5.335) 5.774 11.411 ( -2.165 0.000 -6.468) 6.820 11.691 ( 0.650 0.000 5.903) 5.938 11.796 ( -0.114 0.000 -3.848) 3.849 12.522 ( -3.992 0.000 2.591) 4.759 12.581 ( 10.694 0.000 -2.543) 10.992 12.872 ( -0.280 0.000 0.102) 0.298 12.874 ( 0.277 0.000 -0.073) 0.286 13.779 ( -3.059 0.000 3.749) 4.838 13.840 ( -0.144 0.000 -1.269) 1.277 13.942 ( 59.401 0.000 0.494) 59.403 13.990 ( -18.471 0.000 -4.142) 18.929 14.582 ( 5.116 0.000 1.824) 5.431 14.614 ( -6.783 0.000 -0.617) 6.811 14.800 ( 12.246 0.000 3.870) 12.843 14.890 ( -20.965 0.000 -3.784) 21.303 16.112 ( -1.307 0.000 0.171) 1.319 16.116 ( 1.274 0.000 -0.147) 1.282 16.619 ( -2.239 0.000 0.755) 2.363 16.637 ( 6.160 0.000 -0.850) 6.219 16.821 ( -0.401 0.000 0.458) 0.609 16.830 ( 0.430 0.000 -0.360) 0.561 17.344 ( 12.187 0.000 0.109) 12.188 17.346 ( -35.927 0.000 -0.106) 35.927 ======================= Grid point 82 (27/70) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 18.897 0.000 15.812) 24.639 0.893 ( 22.091 0.000 17.566) 28.224 0.982 ( 20.394 0.000 -8.454) 22.077 0.992 ( 8.833 0.000 -16.262) 18.506 1.272 ( 18.997 0.000 23.941) 30.563 1.341 ( 15.056 0.000 -1.417) 15.122 1.610 ( 9.077 0.000 -6.318) 11.060 1.767 ( 14.671 0.000 -5.203) 15.566 1.901 ( -2.563 0.000 -20.011) 20.174 2.018 ( 8.145 0.000 4.349) 9.234 2.046 ( 6.074 0.000 -5.329) 8.080 2.111 ( 11.654 0.000 2.041) 11.831 2.117 ( 1.005 0.000 -13.697) 13.734 2.209 ( 14.829 0.000 9.699) 17.720 2.472 ( 0.251 0.000 -3.542) 3.551 2.548 ( 4.927 0.000 3.922) 6.297 2.944 ( 6.125 0.000 8.093) 10.150 2.990 ( 2.516 0.000 -8.109) 8.491 3.483 ( 0.221 0.000 -0.652) 0.688 3.515 ( 2.263 0.000 -1.793) 2.887 3.635 ( 1.501 0.000 5.421) 5.625 3.682 ( 3.824 0.000 -5.919) 7.047 3.803 ( 0.219 0.000 3.386) 3.393 4.006 ( 8.505 0.000 0.097) 8.506 4.124 ( -2.726 0.000 5.282) 5.944 4.194 ( -3.101 0.000 -3.496) 4.674 4.399 ( -8.652 0.000 2.609) 9.037 4.500 ( -9.678 0.000 -3.388) 10.254 4.597 ( -1.862 0.000 -2.019) 2.747 4.625 ( -5.063 0.000 3.322) 6.055 4.742 ( 0.983 0.000 1.225) 1.571 4.762 ( -0.674 0.000 1.328) 1.489 4.839 ( 1.382 0.000 -1.698) 2.189 4.928 ( 0.371 0.000 8.421) 8.429 4.985 ( 1.678 0.000 -3.372) 3.767 5.070 ( -0.192 0.000 -2.701) 2.707 5.091 ( 8.124 0.000 5.535) 9.830 5.163 ( 3.099 0.000 -6.741) 7.420 5.234 ( 4.611 0.000 1.938) 5.002 5.245 ( 2.754 0.000 -0.228) 2.763 5.419 ( 6.649 0.000 -1.615) 6.842 5.456 ( 9.272 0.000 -5.899) 10.989 5.558 ( 6.247 0.000 12.097) 13.614 5.584 ( -3.431 0.000 -0.447) 3.460 5.791 ( 3.823 0.000 2.738) 4.702 5.846 ( -1.637 0.000 -15.078) 15.166 5.963 ( 3.704 0.000 2.252) 4.334 5.987 ( 0.177 0.000 -1.506) 1.516 6.050 ( -1.284 0.000 -7.697) 7.803 6.086 ( 4.421 0.000 6.840) 8.144 6.306 ( 0.966 0.000 5.237) 5.326 6.348 ( -2.331 0.000 -0.909) 2.502 6.567 ( -11.083 0.000 -7.156) 13.193 6.822 ( -3.211 0.000 4.676) 5.672 6.906 ( -0.893 0.000 -0.873) 1.249 6.955 ( -1.665 0.000 0.702) 1.807 6.981 ( 2.720 0.000 6.900) 7.417 7.291 ( 6.652 0.000 5.587) 8.687 7.437 ( -2.714 0.000 11.762) 12.071 7.632 ( -3.124 0.000 -9.966) 10.444 7.754 ( -3.128 0.000 -0.026) 3.129 7.756 ( -0.144 0.000 -0.666) 0.682 8.139 ( -0.378 0.000 5.224) 5.238 8.155 ( 0.333 0.000 1.174) 1.221 8.296 ( 1.897 0.000 -4.438) 4.827 8.322 ( 2.949 0.000 2.686) 3.989 8.507 ( -10.248 0.000 -5.891) 11.820 8.589 ( -1.310 0.000 0.847) 1.560 8.606 ( -0.618 0.000 6.706) 6.734 8.650 ( -1.148 0.000 -3.651) 3.827 8.868 ( 1.797 0.000 -7.183) 7.404 9.070 ( 3.811 0.000 -3.819) 5.396 9.210 ( -8.582 0.000 4.009) 9.472 9.228 ( -1.183 0.000 -0.314) 1.224 9.299 ( -6.338 0.000 3.177) 7.090 9.456 ( -8.341 0.000 1.628) 8.499 9.809 ( 1.266 0.000 3.314) 3.547 9.876 ( 1.068 0.000 -4.424) 4.551 9.969 ( 2.500 0.000 -1.594) 2.965 10.023 ( 4.473 0.000 -0.492) 4.500 10.361 ( -2.303 0.000 1.328) 2.658 10.502 ( -0.869 0.000 -0.397) 0.956 10.993 ( -0.435 0.000 -2.582) 2.618 10.998 ( 1.232 0.000 2.987) 3.231 11.369 ( 4.929 0.000 5.397) 7.309 11.384 ( 0.777 0.000 -6.329) 6.377 11.719 ( 1.294 0.000 5.321) 5.476 11.800 ( 1.848 0.000 -4.165) 4.557 12.393 ( -7.224 0.000 -3.408) 7.988 12.572 ( -4.958 0.000 0.509) 4.984 12.877 ( 0.682 0.000 -0.008) 0.682 12.890 ( 1.109 0.000 0.252) 1.138 13.503 ( -13.377 0.000 -6.093) 14.699 13.694 ( -4.931 0.000 0.005) 4.931 14.015 ( 2.522 0.000 -11.013) 11.299 14.262 ( -16.508 0.000 9.685) 19.139 14.570 ( 2.988 0.000 3.403) 4.528 14.638 ( 3.156 0.000 -0.143) 3.159 15.023 ( 8.083 0.000 7.046) 10.723 15.245 ( 28.698 0.000 -28.899) 40.728 16.015 ( -8.056 0.000 -0.765) 8.092 16.113 ( 1.216 0.000 -1.332) 1.803 16.547 ( -4.544 0.000 -0.526) 4.574 16.656 ( -15.843 0.000 6.008) 16.944 16.751 ( 0.906 0.000 3.226) 3.351 16.831 ( -0.206 0.000 -0.166) 0.265 16.913 ( 0.077 0.000 2.262) 2.263 17.522 ( 3.749 0.000 8.944) 9.698 ======================= Grid point 83 (28/70) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 14.180 0.000 7.782) 16.175 1.152 ( 12.316 0.000 -1.838) 12.453 1.299 ( 14.316 0.000 14.005) 20.028 1.335 ( 16.055 0.000 -9.851) 18.836 1.677 ( 14.065 0.000 -3.869) 14.588 1.716 ( 11.343 0.000 -0.941) 11.382 1.851 ( 21.511 0.000 4.024) 21.884 1.982 ( 12.969 0.000 -8.225) 15.358 2.057 ( 15.134 0.000 -16.865) 22.660 2.189 ( 13.434 0.000 1.124) 13.481 2.224 ( 11.281 0.000 2.046) 11.465 2.293 ( 13.916 0.000 1.051) 13.956 2.397 ( 14.255 0.000 4.713) 15.014 2.467 ( 6.609 0.000 -0.429) 6.623 2.589 ( 13.798 0.000 -0.325) 13.802 2.659 ( 5.128 0.000 3.135) 6.010 3.093 ( 6.664 0.000 8.268) 10.619 3.101 ( 9.938 0.000 -2.423) 10.229 3.477 ( -0.419 0.000 -2.161) 2.201 3.503 ( -2.614 0.000 -1.658) 3.096 3.687 ( 1.178 0.000 3.979) 4.150 3.722 ( 0.708 0.000 -8.482) 8.511 3.857 ( 3.948 0.000 3.867) 5.526 4.049 ( -3.561 0.000 3.326) 4.873 4.113 ( -4.496 0.000 -0.292) 4.505 4.170 ( 6.664 0.000 -0.614) 6.692 4.267 ( -3.067 0.000 -0.661) 3.137 4.333 ( -5.943 0.000 -2.047) 6.286 4.558 ( -2.121 0.000 -0.747) 2.249 4.567 ( -1.108 0.000 -3.461) 3.634 4.712 ( -2.758 0.000 -8.399) 8.840 4.745 ( -0.152 0.000 5.064) 5.066 4.905 ( 1.777 0.000 10.166) 10.320 4.996 ( 6.478 0.000 5.055) 8.217 5.027 ( 3.613 0.000 -3.267) 4.870 5.080 ( 1.510 0.000 0.359) 1.552 5.143 ( -1.199 0.000 -3.103) 3.327 5.295 ( 6.745 0.000 6.704) 9.510 5.322 ( 3.353 0.000 4.013) 5.229 5.327 ( 5.764 0.000 -3.728) 6.864 5.457 ( 0.850 0.000 -4.338) 4.420 5.537 ( 2.303 0.000 0.546) 2.367 5.604 ( 3.524 0.000 -5.319) 6.381 5.752 ( 7.079 0.000 4.184) 8.223 5.795 ( -0.543 0.000 -10.091) 10.106 5.851 ( 1.603 0.000 -0.047) 1.604 6.002 ( 0.647 0.000 2.825) 2.898 6.006 ( -0.677 0.000 2.377) 2.472 6.060 ( 2.831 0.000 -8.480) 8.940 6.175 ( 3.620 0.000 8.188) 8.953 6.283 ( -3.473 0.000 1.428) 3.755 6.381 ( -4.330 0.000 -5.940) 7.351 6.393 ( 4.043 0.000 7.604) 8.612 6.677 ( -7.318 0.000 -1.149) 7.407 6.841 ( -4.705 0.000 -3.378) 5.792 6.883 ( -3.670 0.000 -0.741) 3.744 7.151 ( 5.472 0.000 10.436) 11.784 7.362 ( -1.292 0.000 -0.473) 1.376 7.396 ( -3.856 0.000 11.607) 12.231 7.523 ( -4.559 0.000 -7.289) 8.597 7.628 ( -7.787 0.000 -3.516) 8.544 7.745 ( -1.012 0.000 -2.960) 3.128 8.112 ( -4.508 0.000 -2.646) 5.227 8.150 ( 0.524 0.000 4.205) 4.237 8.349 ( 4.114 0.000 -3.733) 5.555 8.376 ( 0.969 0.000 2.065) 2.281 8.395 ( 1.532 0.000 -2.885) 3.267 8.514 ( -4.748 0.000 0.282) 4.757 8.654 ( 2.805 0.000 5.544) 6.213 8.662 ( 2.720 0.000 0.780) 2.830 8.885 ( 1.112 0.000 -8.965) 9.034 8.980 ( -8.785 0.000 4.496) 9.869 9.112 ( -0.331 0.000 0.258) 0.419 9.169 ( -4.389 0.000 -0.270) 4.397 9.301 ( 1.197 0.000 -1.035) 1.582 9.336 ( -3.755 0.000 1.980) 4.245 9.854 ( 2.374 0.000 3.613) 4.323 9.880 ( 0.392 0.000 -5.732) 5.746 9.991 ( 0.366 0.000 -0.059) 0.371 10.085 ( 1.621 0.000 0.272) 1.644 10.330 ( -0.919 0.000 -0.085) 0.923 10.485 ( -0.845 0.000 0.549) 1.008 11.000 ( 1.176 0.000 -1.290) 1.746 11.028 ( 1.084 0.000 2.214) 2.465 11.421 ( 4.062 0.000 -4.222) 5.859 11.504 ( 7.695 0.000 4.425) 8.877 11.768 ( 2.562 0.000 4.527) 5.201 11.863 ( 5.061 0.000 -3.736) 6.291 12.266 ( -4.424 0.000 -4.899) 6.601 12.475 ( -4.584 0.000 1.924) 4.972 12.892 ( 0.608 0.000 -0.435) 0.748 12.915 ( 1.203 0.000 0.736) 1.410 13.310 ( -6.989 0.000 -0.362) 6.998 13.586 ( -5.574 0.000 -3.249) 6.452 13.944 ( -6.249 0.000 -9.244) 11.158 13.969 ( -13.847 0.000 10.082) 17.128 14.713 ( 8.101 0.000 6.513) 10.395 14.746 ( 6.875 0.000 -3.963) 7.936 15.146 ( 3.083 0.000 5.809) 6.577 15.406 ( -1.626 0.000 -11.695) 11.808 15.821 ( -9.633 0.000 -3.566) 10.272 16.173 ( 1.364 0.000 2.757) 3.076 16.373 ( -10.860 0.000 1.408) 10.951 16.456 ( -4.228 0.000 0.743) 4.293 16.815 ( 3.334 0.000 4.774) 5.823 16.823 ( -0.473 0.000 -0.375) 0.604 16.957 ( 3.244 0.000 -9.155) 9.713 17.541 ( -2.602 0.000 7.540) 7.976 ======================= Grid point 84 (29/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 11.008 0.000 -3.752) 11.630 1.402 ( 12.148 0.000 -3.229) 12.569 1.567 ( 8.698 0.000 -6.338) 10.763 1.596 ( 12.297 0.000 14.524) 19.030 1.839 ( 2.705 0.000 0.338) 2.726 1.948 ( 10.201 0.000 8.264) 13.128 2.104 ( 8.974 0.000 -9.937) 13.389 2.246 ( 14.892 0.000 -0.427) 14.899 2.433 ( 8.417 0.000 0.446) 8.428 2.438 ( 10.536 0.000 1.811) 10.691 2.475 ( 18.273 0.000 -8.422) 20.120 2.515 ( 4.439 0.000 -1.667) 4.741 2.595 ( 14.515 0.000 6.031) 15.718 2.734 ( 8.734 0.000 -1.836) 8.925 2.750 ( 3.258 0.000 0.614) 3.315 2.827 ( 13.959 0.000 -0.067) 13.960 3.210 ( 2.626 0.000 3.445) 4.332 3.261 ( 1.657 0.000 -8.780) 8.935 3.436 ( -3.568 0.000 2.296) 4.243 3.493 ( 1.165 0.000 4.525) 4.672 3.648 ( -4.790 0.000 9.281) 10.444 3.733 ( 5.980 0.000 -3.275) 6.818 3.960 ( 5.315 0.000 -0.638) 5.353 4.022 ( 0.215 0.000 1.207) 1.226 4.055 ( -0.493 0.000 -0.797) 0.937 4.232 ( -2.861 0.000 -3.723) 4.695 4.281 ( 3.538 0.000 -0.718) 3.611 4.287 ( 3.624 0.000 -0.151) 3.627 4.531 ( -1.995 0.000 -0.021) 1.995 4.536 ( 0.314 0.000 -2.863) 2.880 4.644 ( -1.126 0.000 -11.614) 11.669 4.763 ( 0.383 0.000 4.788) 4.803 4.949 ( 1.971 0.000 7.524) 7.778 5.095 ( -2.081 0.000 -0.374) 2.114 5.100 ( 1.452 0.000 2.227) 2.659 5.114 ( 4.146 0.000 -1.335) 4.356 5.196 ( 8.622 0.000 6.710) 10.925 5.370 ( 0.467 0.000 5.763) 5.782 5.383 ( 2.205 0.000 5.559) 5.981 5.438 ( 4.950 0.000 -6.069) 7.831 5.492 ( 3.810 0.000 -4.455) 5.862 5.598 ( 2.043 0.000 -1.294) 2.418 5.649 ( 2.638 0.000 -0.140) 2.642 5.791 ( 1.577 0.000 -5.374) 5.601 5.833 ( 1.426 0.000 -3.257) 3.556 5.856 ( -0.107 0.000 -6.581) 6.582 5.976 ( -2.749 0.000 0.833) 2.873 6.009 ( -6.358 0.000 -4.036) 7.531 6.030 ( 2.045 0.000 6.842) 7.141 6.195 ( -2.717 0.000 1.331) 3.025 6.295 ( 4.681 0.000 5.645) 7.333 6.382 ( 0.857 0.000 0.539) 1.012 6.439 ( -0.478 0.000 3.632) 3.663 6.572 ( -2.943 0.000 -3.246) 4.381 6.785 ( -5.209 0.000 -4.013) 6.576 6.791 ( 2.327 0.000 2.034) 3.091 7.188 ( -3.993 0.000 8.611) 9.492 7.221 ( -8.984 0.000 -12.698) 15.555 7.357 ( -1.320 0.000 6.758) 6.885 7.435 ( -6.626 0.000 -6.647) 9.385 7.517 ( -0.727 0.000 7.234) 7.271 7.700 ( -2.252 0.000 -3.215) 3.925 8.035 ( -2.109 0.000 0.357) 2.139 8.173 ( 0.704 0.000 2.549) 2.644 8.361 ( -2.048 0.000 0.048) 2.049 8.396 ( -4.608 0.000 4.147) 6.199 8.446 ( 3.615 0.000 -6.342) 7.300 8.482 ( 5.978 0.000 -2.351) 6.424 8.734 ( 3.884 0.000 3.992) 5.570 8.745 ( 3.666 0.000 2.669) 4.535 8.872 ( -2.790 0.000 0.908) 2.934 8.878 ( 0.292 0.000 -6.459) 6.466 9.091 ( -2.575 0.000 -0.671) 2.661 9.095 ( -1.668 0.000 2.585) 3.076 9.279 ( -2.873 0.000 1.833) 3.408 9.311 ( -0.080 0.000 -0.649) 0.654 9.871 ( 0.028 0.000 -6.317) 6.317 9.904 ( 1.610 0.000 1.490) 2.193 9.998 ( 0.351 0.000 1.889) 1.921 10.093 ( -0.632 0.000 0.415) 0.756 10.325 ( 0.440 0.000 0.386) 0.585 10.468 ( -0.942 0.000 -0.241) 0.973 11.022 ( 0.968 0.000 -0.488) 1.084 11.045 ( 0.230 0.000 1.029) 1.055 11.525 ( 6.459 0.000 -0.149) 6.461 11.688 ( 9.719 0.000 1.991) 9.921 11.832 ( 2.720 0.000 3.807) 4.679 11.961 ( 4.480 0.000 -5.479) 7.077 12.197 ( -1.653 0.000 -1.897) 2.516 12.401 ( -3.198 0.000 0.987) 3.346 12.891 ( -0.720 0.000 -0.878) 1.135 12.932 ( 0.077 0.000 1.078) 1.081 13.201 ( -4.038 0.000 4.404) 5.975 13.469 ( -4.878 0.000 -5.873) 7.634 13.747 ( -9.892 0.000 5.617) 11.375 13.779 ( -7.933 0.000 -4.841) 9.293 14.854 ( 3.948 0.000 9.256) 10.063 14.882 ( 7.864 0.000 -7.020) 10.541 15.157 ( -3.889 0.000 6.678) 7.728 15.296 ( -5.785 0.000 -7.160) 9.204 15.687 ( -0.697 0.000 -9.481) 9.507 16.024 ( -13.915 0.000 11.782) 18.233 16.328 ( 2.904 0.000 -6.374) 7.004 16.388 ( -2.903 0.000 2.422) 3.781 16.814 ( -0.213 0.000 -0.402) 0.455 16.867 ( 0.265 0.000 4.132) 4.141 17.026 ( 6.094 0.000 -6.611) 8.992 17.474 ( -4.879 0.000 3.542) 6.029 ======================= Grid point 85 (30/70) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 7.251 0.000 1.897) 7.495 1.588 ( 6.389 0.000 -2.040) 6.707 1.663 ( 3.453 0.000 -7.117) 7.911 1.791 ( -2.794 0.000 -2.388) 3.675 1.834 ( 3.124 0.000 12.149) 12.545 2.048 ( 2.235 0.000 -1.685) 2.799 2.339 ( 10.336 0.000 6.333) 12.122 2.448 ( 6.542 0.000 -1.638) 6.744 2.536 ( 1.546 0.000 -0.501) 1.625 2.547 ( 0.529 0.000 -1.084) 1.206 2.609 ( 4.862 0.000 -0.350) 4.874 2.704 ( 4.738 0.000 -1.223) 4.894 2.778 ( 1.184 0.000 -2.273) 2.563 2.843 ( 7.467 0.000 3.165) 8.110 2.848 ( 4.444 0.000 2.115) 4.922 3.032 ( 1.618 0.000 -5.586) 5.816 3.185 ( -4.354 0.000 -1.577) 4.630 3.193 ( -1.669 0.000 -10.398) 10.531 3.372 ( -3.065 0.000 3.485) 4.641 3.460 ( -1.975 0.000 -2.198) 2.955 3.650 ( 3.155 0.000 17.319) 17.604 3.917 ( 6.913 0.000 2.367) 7.307 4.018 ( 0.827 0.000 -2.634) 2.761 4.033 ( 0.165 0.000 -0.666) 0.686 4.097 ( 3.487 0.000 -0.185) 3.492 4.156 ( -3.991 0.000 -4.987) 6.388 4.324 ( -0.403 0.000 0.620) 0.739 4.353 ( 2.860 0.000 -2.369) 3.714 4.507 ( -0.698 0.000 4.759) 4.810 4.548 ( 0.742 0.000 -1.353) 1.543 4.664 ( 5.561 0.000 -9.450) 10.965 4.748 ( -3.109 0.000 0.436) 3.139 5.025 ( 4.287 0.000 2.740) 5.088 5.050 ( -1.680 0.000 1.923) 2.553 5.125 ( 0.895 0.000 2.076) 2.261 5.177 ( 1.154 0.000 -1.160) 1.637 5.311 ( 1.110 0.000 5.563) 5.673 5.380 ( 0.388 0.000 2.383) 2.414 5.455 ( 3.013 0.000 6.638) 7.289 5.483 ( 0.877 0.000 -4.010) 4.105 5.577 ( -3.995 0.000 0.375) 4.012 5.579 ( 5.259 0.000 -4.258) 6.767 5.670 ( -2.420 0.000 2.510) 3.487 5.813 ( -0.774 0.000 -3.807) 3.885 5.829 ( 1.871 0.000 -1.866) 2.643 5.864 ( 1.582 0.000 -8.999) 9.137 5.893 ( 0.221 0.000 2.940) 2.948 5.958 ( 0.675 0.000 -0.330) 0.751 6.065 ( -2.477 0.000 -0.492) 2.526 6.141 ( -4.347 0.000 1.181) 4.505 6.254 ( -2.300 0.000 -2.818) 3.637 6.433 ( 4.872 0.000 11.302) 12.308 6.511 ( -1.717 0.000 -7.762) 7.950 6.526 ( 2.932 0.000 7.528) 8.079 6.706 ( -0.858 0.000 -4.675) 4.753 6.856 ( -2.283 0.000 -0.441) 2.325 7.071 ( 1.115 0.000 -6.218) 6.317 7.103 ( -3.969 0.000 7.420) 8.415 7.288 ( -5.261 0.000 -7.175) 8.897 7.304 ( -5.412 0.000 -2.555) 5.985 7.560 ( 2.331 0.000 8.682) 8.989 7.676 ( 0.523 0.000 -1.162) 1.274 8.039 ( 1.850 0.000 4.707) 5.057 8.173 ( -1.151 0.000 -0.132) 1.158 8.306 ( -3.465 0.000 2.800) 4.454 8.323 ( -1.128 0.000 -1.015) 1.518 8.515 ( 3.014 0.000 -3.708) 4.778 8.577 ( 3.059 0.000 -4.488) 5.432 8.765 ( -1.078 0.000 0.245) 1.106 8.787 ( -0.196 0.000 1.169) 1.185 8.867 ( 2.103 0.000 0.655) 2.202 8.897 ( 1.321 0.000 0.318) 1.359 9.059 ( -2.358 0.000 3.781) 4.456 9.083 ( 2.080 0.000 -2.114) 2.965 9.231 ( -1.928 0.000 2.607) 3.243 9.295 ( -1.128 0.000 -1.287) 1.711 9.868 ( 1.045 0.000 -4.162) 4.291 9.905 ( -1.621 0.000 -1.817) 2.435 10.018 ( 1.231 0.000 2.568) 2.848 10.075 ( -0.927 0.000 0.158) 0.941 10.349 ( 1.624 0.000 2.027) 2.598 10.443 ( -1.506 0.000 -1.546) 2.159 11.036 ( 0.560 0.000 -0.047) 0.562 11.044 ( -0.307 0.000 0.297) 0.427 11.655 ( 5.458 0.000 4.742) 7.230 11.859 ( 5.299 0.000 -2.486) 5.853 11.875 ( 0.336 0.000 3.242) 3.259 11.971 ( -1.853 0.000 -8.075) 8.285 12.211 ( 2.844 0.000 3.266) 4.331 12.347 ( -2.333 0.000 -1.454) 2.749 12.879 ( 0.497 0.000 0.055) 0.500 12.916 ( -1.696 0.000 0.492) 1.766 13.174 ( 0.110 0.000 6.279) 6.280 13.382 ( -2.252 0.000 -7.662) 7.986 13.611 ( -4.122 0.000 2.712) 4.935 13.642 ( -4.219 0.000 -1.338) 4.426 14.916 ( 0.287 0.000 10.229) 10.233 15.039 ( 9.633 0.000 -9.433) 13.482 15.044 ( -6.277 0.000 5.397) 8.278 15.181 ( -3.926 0.000 -6.894) 7.934 15.755 ( 7.947 0.000 -9.473) 12.365 15.769 ( -13.350 0.000 10.121) 16.753 16.343 ( -2.370 0.000 3.258) 4.029 16.369 ( 1.996 0.000 -3.062) 3.655 16.816 ( 0.531 0.000 0.088) 0.539 16.853 ( -1.506 0.000 -0.148) 1.513 17.162 ( 7.416 0.000 1.010) 7.484 17.368 ( -5.969 0.000 -0.594) 5.998 ======================= Grid point 86 (31/70) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -8.045 0.000 1.474) 8.179 1.544 ( -14.672 0.000 1.596) 14.758 1.670 ( -1.175 0.000 -3.358) 3.558 1.757 ( 3.606 0.000 -1.123) 3.777 1.904 ( -0.534 0.000 6.857) 6.878 2.072 ( 0.423 0.000 -4.878) 4.896 2.435 ( -4.735 0.000 1.467) 4.957 2.480 ( -7.310 0.000 -2.872) 7.854 2.494 ( -1.921 0.000 1.565) 2.478 2.522 ( 0.236 0.000 0.126) 0.268 2.661 ( -5.615 0.000 -2.584) 6.181 2.687 ( 1.801 0.000 3.132) 3.613 2.751 ( -5.502 0.000 3.893) 6.740 2.793 ( -13.410 0.000 -3.391) 13.832 2.924 ( -4.322 0.000 -7.235) 8.428 2.952 ( 1.788 0.000 2.472) 3.050 3.078 ( -5.882 0.000 0.764) 5.932 3.228 ( 3.838 0.000 -3.517) 5.206 3.375 ( 3.581 0.000 3.960) 5.339 3.445 ( 0.691 0.000 -3.560) 3.627 3.775 ( 3.890 0.000 16.114) 16.577 3.945 ( -2.928 0.000 -4.618) 5.468 4.019 ( 0.318 0.000 -2.119) 2.142 4.032 ( 0.949 0.000 -3.296) 3.430 4.062 ( -4.170 0.000 -1.833) 4.555 4.133 ( 0.143 0.000 -0.054) 0.153 4.290 ( -2.830 0.000 2.233) 3.605 4.342 ( -5.133 0.000 -1.968) 5.497 4.507 ( -0.579 0.000 3.062) 3.117 4.543 ( -0.620 0.000 0.373) 0.723 4.645 ( -5.489 0.000 -4.388) 7.027 4.771 ( 4.550 0.000 -3.453) 5.712 5.043 ( 0.721 0.000 0.509) 0.882 5.099 ( 2.226 0.000 -1.302) 2.579 5.145 ( -0.081 0.000 1.906) 1.908 5.168 ( -0.693 0.000 -2.011) 2.127 5.295 ( -3.065 0.000 6.052) 6.784 5.387 ( -1.414 0.000 5.310) 5.496 5.404 ( -7.047 0.000 11.366) 13.373 5.459 ( -1.948 0.000 -6.963) 7.231 5.549 ( 1.682 0.000 -5.738) 5.980 5.654 ( 1.206 0.000 -0.652) 1.371 5.654 ( 0.262 0.000 5.790) 5.796 5.802 ( -0.056 0.000 -7.149) 7.149 5.812 ( -1.388 0.000 -0.744) 1.575 5.871 ( 0.216 0.000 -5.683) 5.687 5.961 ( -3.373 0.000 -2.863) 4.424 6.005 ( -5.695 0.000 -5.690) 8.050 6.012 ( 4.454 0.000 4.131) 6.075 6.027 ( 8.725 0.000 5.377) 10.249 6.345 ( 4.829 0.000 5.887) 7.614 6.381 ( -4.342 0.000 -7.382) 8.564 6.560 ( -0.079 0.000 7.066) 7.067 6.582 ( 1.413 0.000 6.635) 6.784 6.704 ( -6.595 0.000 -10.044) 12.016 6.740 ( 5.607 0.000 0.229) 5.612 7.066 ( -4.408 0.000 1.577) 4.682 7.188 ( -1.246 0.000 -0.814) 1.488 7.219 ( 7.501 0.000 3.622) 8.330 7.242 ( 4.264 0.000 -5.421) 6.897 7.622 ( 2.174 0.000 4.924) 5.383 7.692 ( 0.766 0.000 -3.473) 3.556 8.113 ( 4.069 0.000 5.706) 7.008 8.130 ( -2.600 0.000 -2.646) 3.709 8.288 ( 1.048 0.000 2.379) 2.599 8.319 ( 0.737 0.000 -0.139) 0.750 8.537 ( -0.478 0.000 -2.264) 2.314 8.560 ( -3.038 0.000 -5.931) 6.664 8.753 ( -2.494 0.000 1.337) 2.829 8.761 ( 0.494 0.000 2.468) 2.517 8.898 ( -0.930 0.000 -1.558) 1.814 8.898 ( -0.954 0.000 0.659) 1.160 9.029 ( -0.323 0.000 2.558) 2.578 9.133 ( 2.457 0.000 -2.658) 3.620 9.231 ( 1.230 0.000 4.662) 4.821 9.281 ( 0.465 0.000 -1.774) 1.834 9.846 ( -3.255 0.000 -2.120) 3.885 9.894 ( 1.720 0.000 -1.439) 2.243 10.056 ( 1.964 0.000 2.285) 3.013 10.059 ( -0.635 0.000 -1.303) 1.449 10.390 ( 1.788 0.000 3.114) 3.591 10.402 ( -2.069 0.000 -2.686) 3.390 11.036 ( -0.598 0.000 -0.022) 0.599 11.046 ( 0.468 0.000 0.187) 0.504 11.743 ( 1.718 0.000 8.385) 8.559 11.780 ( -9.378 0.000 -6.187) 11.235 11.841 ( -4.272 0.000 2.085) 4.753 11.954 ( -0.379 0.000 -3.817) 3.836 12.298 ( -2.073 0.000 -3.879) 4.398 12.302 ( 4.946 0.000 2.574) 5.576 12.887 ( -0.665 0.000 -0.659) 0.937 12.917 ( 2.446 0.000 0.633) 2.526 13.216 ( 2.770 0.000 7.280) 7.789 13.348 ( 0.530 0.000 -9.233) 9.248 13.597 ( 1.833 0.000 2.978) 3.497 13.644 ( 5.165 0.000 -0.779) 5.224 14.856 ( -6.328 0.000 7.386) 9.726 15.039 ( 3.569 0.000 5.289) 6.381 15.112 ( -2.047 0.000 -7.249) 7.533 15.233 ( 11.429 0.000 -11.927) 16.519 15.545 ( -10.172 0.000 10.121) 14.349 15.926 ( 9.995 0.000 -4.287) 10.876 16.296 ( -3.129 0.000 3.160) 4.447 16.398 ( 1.431 0.000 -1.724) 2.240 16.822 ( -1.249 0.000 -0.508) 1.349 16.836 ( 1.208 0.000 1.055) 1.604 17.237 ( -6.368 0.000 -5.138) 8.183 17.312 ( 6.941 0.000 4.441) 8.240 ======================= Grid point 87 (32/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -18.232 0.000 6.065) 19.214 1.307 ( -15.390 0.000 2.595) 15.607 1.595 ( -6.274 0.000 -3.498) 7.183 1.746 ( -4.341 0.000 1.001) 4.455 1.856 ( -4.895 0.000 7.222) 8.724 1.995 ( -8.209 0.000 -10.348) 13.209 2.218 ( -17.253 0.000 -8.962) 19.442 2.253 ( -11.438 0.000 0.111) 11.438 2.370 ( -21.481 0.000 -0.228) 21.482 2.430 ( -6.427 0.000 0.868) 6.486 2.462 ( -12.981 0.000 -1.727) 13.096 2.534 ( -5.736 0.000 -4.220) 7.121 2.622 ( -6.961 0.000 6.073) 9.238 2.671 ( -5.714 0.000 3.362) 6.630 2.762 ( -8.767 0.000 -5.704) 10.459 2.804 ( -14.897 0.000 3.261) 15.250 3.037 ( -0.153 0.000 8.739) 8.740 3.287 ( 1.492 0.000 -1.927) 2.437 3.462 ( 0.996 0.000 -1.399) 1.717 3.502 ( 6.295 0.000 1.819) 6.552 3.781 ( -7.178 0.000 1.557) 7.345 3.864 ( -2.975 0.000 -7.864) 8.408 3.994 ( -2.068 0.000 0.373) 2.101 4.017 ( -1.993 0.000 -0.341) 2.022 4.079 ( 5.089 0.000 -6.791) 8.486 4.133 ( -0.069 0.000 5.182) 5.182 4.193 ( -2.911 0.000 2.701) 3.971 4.225 ( -3.921 0.000 2.727) 4.776 4.493 ( -0.620 0.000 1.267) 1.411 4.536 ( -4.888 0.000 -2.495) 5.488 4.571 ( 3.336 0.000 -0.630) 3.394 4.812 ( 0.468 0.000 -0.792) 0.920 5.064 ( -5.629 0.000 2.594) 6.198 5.077 ( 2.619 0.000 -3.079) 4.042 5.123 ( -1.253 0.000 -1.332) 1.828 5.151 ( -1.036 0.000 -2.494) 2.700 5.259 ( -2.740 0.000 9.835) 10.209 5.294 ( -8.405 0.000 0.937) 8.457 5.334 ( -2.053 0.000 7.553) 7.827 5.409 ( -2.080 0.000 -3.182) 3.801 5.538 ( -1.694 0.000 -6.522) 6.738 5.611 ( -4.195 0.000 1.434) 4.434 5.699 ( 3.080 0.000 5.894) 6.650 5.724 ( -5.945 0.000 -6.707) 8.963 5.806 ( -4.434 0.000 -8.556) 9.637 5.808 ( 1.017 0.000 -0.765) 1.272 5.918 ( -1.718 0.000 1.242) 2.119 6.029 ( 6.324 0.000 -0.608) 6.354 6.089 ( 3.765 0.000 1.779) 4.164 6.256 ( 9.718 0.000 9.681) 13.717 6.297 ( -1.510 0.000 -9.738) 9.854 6.351 ( -4.299 0.000 2.778) 5.119 6.535 ( -0.964 0.000 0.434) 1.057 6.542 ( -4.750 0.000 -1.122) 4.881 6.721 ( 7.368 0.000 -0.578) 7.390 6.889 ( 1.794 0.000 -0.107) 1.797 6.921 ( -1.958 0.000 5.318) 5.667 7.277 ( 6.316 0.000 7.318) 9.667 7.302 ( 3.657 0.000 -0.796) 3.742 7.425 ( 9.311 0.000 -1.482) 9.428 7.665 ( 1.881 0.000 1.082) 2.170 7.684 ( -0.374 0.000 -6.670) 6.680 8.076 ( -1.800 0.000 -2.277) 2.903 8.198 ( 2.950 0.000 1.691) 3.400 8.326 ( -1.429 0.000 2.958) 3.285 8.341 ( 3.135 0.000 1.302) 3.395 8.487 ( -3.403 0.000 -3.306) 4.745 8.493 ( -0.987 0.000 -3.828) 3.953 8.716 ( -1.913 0.000 5.854) 6.158 8.755 ( -2.210 0.000 1.818) 2.861 8.822 ( -5.085 0.000 -1.602) 5.331 8.908 ( 4.161 0.000 -2.960) 5.106 9.073 ( 3.647 0.000 0.952) 3.769 9.159 ( 0.709 0.000 -3.038) 3.120 9.266 ( 0.620 0.000 4.174) 4.220 9.306 ( 2.003 0.000 -0.844) 2.174 9.790 ( -1.798 0.000 0.352) 1.832 9.916 ( 0.389 0.000 -0.556) 0.678 10.043 ( -0.651 0.000 -2.221) 2.315 10.098 ( 1.660 0.000 0.985) 1.931 10.356 ( -1.771 0.000 -2.696) 3.226 10.426 ( 1.048 0.000 3.403) 3.561 11.019 ( -1.160 0.000 -0.117) 1.166 11.055 ( 0.365 0.000 0.232) 0.433 11.561 ( -10.563 0.000 -3.039) 10.991 11.721 ( -6.249 0.000 -1.372) 6.398 11.763 ( -2.261 0.000 10.476) 10.717 11.911 ( -2.658 0.000 -3.532) 4.420 12.254 ( -1.081 0.000 -5.040) 5.155 12.393 ( 3.704 0.000 1.827) 4.131 12.887 ( 0.373 0.000 -0.520) 0.640 12.942 ( -0.262 0.000 0.339) 0.429 13.328 ( 6.940 0.000 7.265) 10.047 13.366 ( 2.934 0.000 -10.469) 10.872 13.673 ( 4.421 0.000 4.980) 6.659 13.833 ( 13.179 0.000 -2.770) 13.467 14.749 ( -5.663 0.000 5.161) 7.662 15.020 ( -7.475 0.000 -4.871) 8.922 15.137 ( 3.980 0.000 6.314) 7.464 15.330 ( -0.481 0.000 -7.836) 7.850 15.550 ( 10.930 0.000 1.071) 10.982 16.105 ( 4.638 0.000 7.266) 8.620 16.252 ( 1.737 0.000 -3.249) 3.684 16.424 ( 1.623 0.000 -0.910) 1.861 16.806 ( -0.316 0.000 0.334) 0.460 16.860 ( 0.405 0.000 2.535) 2.567 17.107 ( -4.462 0.000 -10.553) 11.457 17.455 ( 6.362 0.000 5.715) 8.552 ======================= Grid point 88 (33/70) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -12.927 0.000 17.777) 21.980 0.965 ( -18.962 0.000 6.796) 20.143 1.403 ( -11.901 0.000 -7.766) 14.211 1.612 ( -8.961 0.000 3.131) 9.492 1.676 ( -21.410 0.000 -9.494) 23.421 1.715 ( -23.606 0.000 2.180) 23.706 1.802 ( -19.741 0.000 6.028) 20.641 1.818 ( -18.710 0.000 -5.620) 19.536 1.981 ( -15.486 0.000 -3.641) 15.908 2.203 ( -13.831 0.000 0.594) 13.843 2.252 ( -10.061 0.000 -0.932) 10.104 2.406 ( -17.064 0.000 -6.272) 18.180 2.425 ( -11.700 0.000 -1.853) 11.846 2.443 ( -4.596 0.000 -2.348) 5.161 2.588 ( -5.440 0.000 4.448) 7.027 2.655 ( -3.980 0.000 2.257) 4.575 3.017 ( -5.144 0.000 7.679) 9.243 3.257 ( -3.765 0.000 -5.456) 6.629 3.458 ( -1.435 0.000 2.330) 2.736 3.529 ( -7.754 0.000 -7.937) 11.096 3.597 ( -1.577 0.000 2.965) 3.358 3.799 ( -1.936 0.000 -7.703) 7.942 3.975 ( -0.541 0.000 -3.136) 3.182 3.992 ( -1.759 0.000 10.881) 11.022 4.151 ( -1.293 0.000 -1.760) 2.184 4.159 ( 4.351 0.000 -2.389) 4.963 4.226 ( 8.411 0.000 -1.558) 8.554 4.275 ( 5.963 0.000 4.530) 7.489 4.450 ( -2.916 0.000 2.277) 3.700 4.523 ( 3.730 0.000 1.778) 4.133 4.660 ( 5.283 0.000 -0.822) 5.347 4.811 ( -0.021 0.000 0.175) 0.176 4.956 ( -5.548 0.000 5.235) 7.628 5.058 ( -8.581 0.000 -2.081) 8.830 5.062 ( -4.590 0.000 0.312) 4.601 5.121 ( -0.444 0.000 -5.678) 5.695 5.135 ( -2.886 0.000 -4.417) 5.276 5.224 ( -1.728 0.000 6.946) 7.158 5.309 ( -3.044 0.000 5.119) 5.956 5.344 ( -4.296 0.000 0.264) 4.304 5.478 ( -2.467 0.000 -5.602) 6.122 5.527 ( -5.294 0.000 1.451) 5.489 5.583 ( -5.754 0.000 0.678) 5.793 5.718 ( -2.031 0.000 -7.788) 8.048 5.784 ( 3.472 0.000 4.474) 5.663 5.824 ( 0.507 0.000 -3.696) 3.731 5.884 ( -2.630 0.000 4.896) 5.557 6.123 ( 2.057 0.000 -3.596) 4.143 6.157 ( 1.581 0.000 -7.509) 7.674 6.259 ( 2.017 0.000 -0.145) 2.023 6.273 ( -2.007 0.000 2.882) 3.512 6.354 ( -5.716 0.000 -3.552) 6.730 6.501 ( 2.290 0.000 0.706) 2.397 6.599 ( 6.455 0.000 4.130) 7.663 6.781 ( -1.224 0.000 0.525) 1.332 6.862 ( 5.714 0.000 0.574) 5.742 7.074 ( 6.501 0.000 17.451) 18.622 7.305 ( -3.768 0.000 -3.375) 5.058 7.420 ( 5.672 0.000 8.896) 10.550 7.580 ( 6.433 0.000 -4.186) 7.675 7.658 ( -0.582 0.000 -6.921) 6.946 7.706 ( 1.861 0.000 -0.572) 1.947 8.066 ( 1.345 0.000 1.772) 2.225 8.222 ( 0.335 0.000 -2.816) 2.835 8.270 ( -3.961 0.000 3.542) 5.314 8.361 ( -1.963 0.000 -1.940) 2.760 8.449 ( 1.198 0.000 -2.826) 3.070 8.524 ( 3.559 0.000 -0.050) 3.559 8.688 ( -2.178 0.000 8.457) 8.732 8.718 ( -0.790 0.000 -0.187) 0.812 8.727 ( -3.995 0.000 -4.668) 6.144 9.039 ( 6.678 0.000 -1.393) 6.822 9.157 ( 2.013 0.000 -2.922) 3.548 9.157 ( 3.722 0.000 0.268) 3.731 9.269 ( -0.548 0.000 2.331) 2.395 9.347 ( 2.162 0.000 0.637) 2.254 9.776 ( -0.206 0.000 2.764) 2.772 9.906 ( -0.956 0.000 -1.341) 1.647 10.021 ( -1.192 0.000 -2.152) 2.460 10.112 ( -0.506 0.000 -1.864) 1.932 10.331 ( -0.112 0.000 -0.531) 0.543 10.444 ( 0.069 0.000 3.694) 3.694 10.989 ( -1.703 0.000 -0.063) 1.705 11.061 ( 0.239 0.000 -0.258) 0.351 11.375 ( -7.408 0.000 -0.006) 7.408 11.590 ( -5.748 0.000 -3.748) 6.862 11.726 ( -3.148 0.000 8.796) 9.342 11.852 ( -2.329 0.000 -3.248) 3.997 12.245 ( 1.044 0.000 -3.710) 3.854 12.466 ( 3.294 0.000 2.474) 4.120 12.888 ( -0.309 0.000 -0.112) 0.329 12.920 ( -1.650 0.000 0.370) 1.691 13.406 ( 2.540 0.000 -9.881) 10.202 13.501 ( 8.653 0.000 5.028) 10.008 13.771 ( 3.571 0.000 7.001) 7.859 14.123 ( 15.866 0.000 -4.679) 16.541 14.642 ( -6.368 0.000 5.578) 8.465 14.810 ( -11.310 0.000 -2.185) 11.520 15.157 ( -5.708 0.000 8.919) 10.589 15.314 ( -0.127 0.000 -10.108) 10.109 15.803 ( 12.742 0.000 -2.089) 12.912 16.081 ( -3.268 0.000 6.965) 7.694 16.426 ( 11.668 0.000 -1.180) 11.728 16.463 ( 2.445 0.000 0.284) 2.462 16.810 ( 0.467 0.000 0.870) 0.988 16.843 ( -2.361 0.000 1.455) 2.773 17.051 ( 1.679 0.000 -13.436) 13.540 17.591 ( 6.155 0.000 4.719) 7.756 ======================= Grid point 89 (34/70) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -15.550 0.000 15.724) 22.115 0.726 ( -17.505 0.000 16.840) 24.291 1.012 ( -20.269 0.000 12.500) 23.813 1.148 ( -27.331 0.000 -9.958) 29.089 1.205 ( -14.213 0.000 3.402) 14.614 1.359 ( -16.816 0.000 -7.702) 18.496 1.402 ( -13.173 0.000 9.895) 16.476 1.684 ( -10.521 0.000 -4.233) 11.341 1.753 ( -0.064 0.000 15.208) 15.209 1.950 ( -10.168 0.000 0.677) 10.191 2.071 ( -7.062 0.000 -1.886) 7.310 2.073 ( -12.753 0.000 -5.316) 13.817 2.207 ( -7.058 0.000 -12.403) 14.270 2.404 ( -1.369 0.000 -1.812) 2.271 2.478 ( -6.199 0.000 -5.122) 8.041 2.580 ( -3.831 0.000 0.753) 3.904 2.878 ( -6.537 0.000 2.061) 6.855 3.136 ( -6.030 0.000 -9.354) 11.129 3.434 ( -0.791 0.000 1.966) 2.119 3.435 ( -1.026 0.000 5.101) 5.203 3.586 ( -0.808 0.000 3.625) 3.715 3.767 ( 0.335 0.000 -7.212) 7.220 3.929 ( -3.460 0.000 -6.746) 7.581 3.944 ( -4.708 0.000 5.427) 7.185 4.138 ( -0.003 0.000 2.068) 2.068 4.276 ( 4.433 0.000 -8.645) 9.715 4.399 ( 7.565 0.000 5.887) 9.586 4.425 ( 10.926 0.000 -1.514) 11.030 4.463 ( 3.231 0.000 8.693) 9.274 4.626 ( 5.163 0.000 1.596) 5.404 4.770 ( 5.754 0.000 -0.512) 5.777 4.808 ( -1.549 0.000 -1.468) 2.134 4.877 ( -3.061 0.000 5.506) 6.300 4.884 ( -6.530 0.000 -2.113) 6.864 4.985 ( -1.359 0.000 4.321) 4.529 5.029 ( -5.061 0.000 -0.945) 5.149 5.125 ( -0.536 0.000 -8.194) 8.212 5.201 ( -5.279 0.000 3.730) 6.464 5.224 ( -2.118 0.000 -0.049) 2.119 5.256 ( -3.925 0.000 0.280) 3.935 5.383 ( -7.287 0.000 1.640) 7.470 5.400 ( -6.967 0.000 -3.676) 7.877 5.536 ( -1.512 0.000 8.127) 8.266 5.697 ( 0.945 0.000 -7.439) 7.498 5.766 ( -3.596 0.000 -8.425) 9.161 5.856 ( -0.092 0.000 6.208) 6.209 5.857 ( 1.729 0.000 1.442) 2.252 6.084 ( -6.317 0.000 -13.266) 14.694 6.098 ( -2.264 0.000 -4.396) 4.945 6.239 ( -2.412 0.000 -5.965) 6.435 6.288 ( 1.081 0.000 5.015) 5.130 6.370 ( 4.705 0.000 4.418) 6.454 6.445 ( -1.466 0.000 -2.588) 2.975 6.766 ( 7.749 0.000 5.344) 9.413 6.888 ( 5.994 0.000 2.240) 6.399 6.952 ( 4.070 0.000 0.756) 4.140 7.142 ( -10.779 0.000 -6.587) 12.632 7.264 ( 8.853 0.000 20.065) 21.932 7.469 ( -3.075 0.000 -0.642) 3.141 7.661 ( 2.810 0.000 -6.504) 7.085 7.690 ( 5.160 0.000 3.659) 6.326 7.730 ( 1.033 0.000 -0.114) 1.039 8.167 ( 7.869 0.000 5.441) 9.567 8.193 ( -3.154 0.000 1.049) 3.324 8.245 ( 1.466 0.000 -0.537) 1.561 8.342 ( 3.722 0.000 2.307) 4.379 8.436 ( -3.705 0.000 -6.570) 7.543 8.595 ( 2.758 0.000 -0.207) 2.766 8.618 ( -4.717 0.000 -1.002) 4.822 8.690 ( 0.583 0.000 8.688) 8.707 8.726 ( 1.750 0.000 -3.247) 3.689 9.016 ( -5.893 0.000 1.451) 6.069 9.223 ( 1.721 0.000 0.411) 1.769 9.244 ( 0.225 0.000 -0.676) 0.713 9.354 ( 12.393 0.000 -1.705) 12.510 9.432 ( 7.722 0.000 4.534) 8.955 9.783 ( 0.144 0.000 3.191) 3.194 9.881 ( -1.143 0.000 -2.696) 2.928 9.984 ( -2.158 0.000 -1.694) 2.744 10.048 ( -6.211 0.000 -4.803) 7.851 10.366 ( 4.152 0.000 2.300) 4.746 10.441 ( -1.233 0.000 4.202) 4.379 10.959 ( -0.972 0.000 0.517) 1.101 11.059 ( -0.477 0.000 -2.052) 2.106 11.276 ( -2.569 0.000 3.381) 4.246 11.485 ( -3.851 0.000 -5.416) 6.645 11.687 ( -1.905 0.000 6.413) 6.690 11.812 ( -0.954 0.000 -3.362) 3.495 12.298 ( 6.297 0.000 4.113) 7.521 12.529 ( 1.900 0.000 3.495) 3.978 12.879 ( -0.463 0.000 -0.073) 0.469 12.889 ( -1.364 0.000 0.309) 1.399 13.427 ( 2.679 0.000 -1.953) 3.315 13.683 ( 8.942 0.000 1.628) 9.089 13.820 ( -0.473 0.000 7.352) 7.367 14.365 ( -0.788 0.000 -3.288) 3.381 14.542 ( 1.957 0.000 10.052) 10.241 14.617 ( -6.487 0.000 -1.277) 6.612 14.905 ( -18.351 0.000 4.244) 18.835 15.226 ( -8.132 0.000 -13.435) 15.705 16.017 ( 8.464 0.000 -0.981) 8.520 16.086 ( 2.281 0.000 1.628) 2.802 16.529 ( 4.139 0.000 1.699) 4.475 16.608 ( 4.410 0.000 2.862) 5.258 16.814 ( 0.419 0.000 -0.948) 1.037 16.821 ( 0.310 0.000 0.694) 0.760 17.126 ( 8.733 0.000 -11.347) 14.318 17.688 ( 0.750 0.000 -4.281) 4.346 ======================= Grid point 90 (35/70) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 4.521 18.687 10.357) 21.838 0.735 ( -1.387 17.252 11.918) 21.014 0.912 ( -0.694 14.094 -6.669) 15.607 1.118 ( -3.668 9.816 -11.868) 15.832 1.258 ( 2.866 19.849 27.896) 34.357 1.370 ( -2.096 12.569 0.753) 12.765 1.400 ( 7.751 8.016 2.129) 11.352 1.667 ( 0.595 7.209 -0.425) 7.246 1.900 ( 3.126 4.433 4.433) 7.005 1.925 ( 1.933 3.855 4.118) 5.963 2.005 ( 1.775 5.699 -2.930) 6.649 2.062 ( 0.205 7.968 -1.064) 8.041 2.190 ( -1.710 12.026 -11.787) 16.926 2.362 ( -6.772 9.788 -12.495) 17.256 2.554 ( -2.071 4.543 -0.358) 5.006 2.579 ( 3.526 5.249 -2.490) 6.796 2.859 ( 0.657 1.269 4.041) 4.286 2.999 ( -2.160 -1.636 -7.824) 8.280 3.381 ( 1.831 -5.366 3.012) 6.420 3.423 ( 0.528 -3.741 -1.052) 3.922 3.624 ( 1.130 1.016 4.268) 4.530 3.670 ( -3.488 -2.650 -0.499) 4.409 3.870 ( 1.813 1.420 1.949) 3.017 3.911 ( -1.615 3.593 -1.411) 4.184 4.127 ( -0.519 -1.470 2.745) 3.157 4.228 ( -0.336 -2.686 -6.747) 7.270 4.444 ( -4.478 -3.244 6.785) 8.752 4.537 ( 6.316 -1.899 0.060) 6.596 4.647 ( 1.831 1.028 1.711) 2.708 4.683 ( -1.419 -0.219 0.137) 1.443 4.710 ( 2.186 -1.848 0.793) 2.971 4.757 ( -3.302 -1.522 -2.361) 4.335 4.887 ( 1.820 1.035 4.843) 5.276 4.908 ( 0.549 0.168 3.731) 3.775 4.987 ( -0.854 2.600 3.305) 4.291 5.052 ( 1.274 5.460 0.190) 5.609 5.117 ( -0.859 1.029 -4.000) 4.218 5.141 ( -3.677 3.107 -4.320) 6.468 5.225 ( 0.783 6.258 0.715) 6.347 5.273 ( 0.504 5.381 -2.600) 5.997 5.295 ( -0.979 4.339 2.732) 5.220 5.398 ( 2.774 2.536 -3.734) 5.298 5.504 ( -3.815 -2.084 1.562) 4.619 5.637 ( 4.722 -7.081 -5.311) 10.032 5.770 ( -7.150 1.457 -1.469) 7.443 5.802 ( 6.773 5.941 -4.192) 9.936 5.964 ( 2.135 0.339 6.610) 6.954 6.037 ( -4.763 0.122 0.934) 4.855 6.154 ( -3.192 3.679 -5.060) 7.024 6.188 ( -0.796 3.993 -6.999) 8.097 6.311 ( -0.370 2.748 2.784) 3.930 6.388 ( -0.058 4.724 -4.162) 6.297 6.669 ( 9.139 2.666 8.791) 12.958 6.792 ( -9.057 -1.665 -1.396) 9.314 6.870 ( 2.446 1.652 7.106) 7.695 6.974 ( -0.717 0.121 -1.635) 1.790 7.063 ( 5.803 -2.756 7.361) 9.771 7.266 ( -5.632 1.624 -13.610) 14.818 7.411 ( 0.055 -3.127 7.381) 8.016 7.609 ( -1.065 -4.332 -8.858) 9.918 7.830 ( 3.164 4.035 3.381) 6.141 7.848 ( -1.845 4.830 1.578) 5.406 8.122 ( -2.014 -2.542 3.235) 4.580 8.162 ( -2.546 -1.187 -0.497) 2.853 8.262 ( 3.009 -0.725 -0.113) 3.097 8.293 ( -2.252 -0.382 -3.765) 4.403 8.562 ( 0.502 -0.449 6.181) 6.218 8.597 ( 4.452 -2.119 1.603) 5.184 8.600 ( -3.184 -1.516 -0.877) 3.633 8.713 ( -0.340 -2.124 -5.221) 5.647 8.864 ( 12.419 -1.323 5.254) 13.549 8.913 ( -4.707 2.099 -0.845) 5.223 9.169 ( -0.015 -7.407 1.965) 7.663 9.209 ( -1.148 -4.777 -2.025) 5.314 9.295 ( -4.770 -8.543 6.039) 11.498 9.354 ( 3.330 -12.152 0.242) 12.603 9.822 ( 7.596 -0.781 -0.097) 7.637 9.832 ( -8.688 -0.549 -0.778) 8.740 9.956 ( 1.056 2.808 3.069) 4.292 10.013 ( 0.032 2.649 -1.155) 2.889 10.357 ( 0.873 -2.921 3.354) 4.532 10.428 ( -0.281 -2.811 -1.631) 3.262 10.980 ( 0.587 1.677 1.387) 2.254 11.030 ( -1.190 0.450 -3.030) 3.286 11.389 ( 2.587 4.941 0.812) 5.636 11.460 ( -3.045 4.129 -5.198) 7.304 11.694 ( 0.008 1.274 5.143) 5.298 11.791 ( 0.024 0.010 -3.667) 3.667 12.436 ( 5.068 -5.868 4.695) 9.064 12.479 ( -1.132 -4.440 -0.030) 4.582 12.887 ( -0.290 1.249 0.256) 1.307 12.892 ( 0.131 1.503 -0.136) 1.515 13.603 ( 11.444 -5.478 6.676) 14.337 13.703 ( -6.339 -3.952 -3.363) 8.192 13.951 ( 2.289 0.915 9.426) 9.743 14.160 ( 2.417 0.223 -10.137) 10.424 14.509 ( -8.815 -5.835 3.009) 10.991 14.542 ( 4.443 -2.391 -1.099) 5.164 14.832 ( -2.746 6.096 13.062) 14.674 15.189 ( 6.465 7.849 -21.026) 23.356 15.998 ( -1.015 -10.320 1.540) 10.483 16.045 ( -2.428 -4.418 -3.610) 6.200 16.601 ( -0.221 2.165 7.142) 7.467 16.688 ( 2.520 2.075 -2.774) 4.284 16.775 ( 1.597 -2.320 0.904) 2.958 16.795 ( -1.217 -1.372 -1.161) 2.171 17.191 ( -3.086 1.634 22.245) 22.517 17.692 ( -4.319 7.040 -25.973) 27.255 ======================= Grid point 91 (36/70) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 13.136 9.587 6.583) 17.545 0.989 ( 16.439 8.547 16.427) 24.762 1.074 ( 13.191 9.160 -6.418) 17.294 1.189 ( 12.542 14.007 -10.811) 21.688 1.430 ( 11.364 10.696 2.154) 15.754 1.548 ( 17.971 12.767 10.623) 24.470 1.592 ( 9.688 7.383 1.756) 12.307 1.825 ( 13.242 5.206 -3.254) 14.596 1.944 ( 2.614 4.058 -9.309) 10.486 2.040 ( 8.833 4.276 4.427) 10.766 2.117 ( 7.101 7.658 -7.457) 12.832 2.135 ( 7.047 3.861 -8.347) 11.586 2.273 ( 7.217 13.723 3.873) 15.981 2.330 ( 10.494 11.052 0.979) 15.272 2.505 ( -0.471 3.557 -1.703) 3.971 2.642 ( 2.631 4.930 -0.092) 5.589 2.931 ( 4.743 -1.389 5.520) 7.409 2.998 ( 3.905 0.865 -5.376) 6.701 3.437 ( 2.237 -3.967 1.520) 4.801 3.466 ( 4.052 -4.503 -3.610) 7.052 3.661 ( 2.953 -0.894 -0.497) 3.125 3.667 ( 0.725 1.515 2.342) 2.882 3.834 ( -1.013 2.374 -0.839) 2.714 3.992 ( 4.586 -1.588 2.589) 5.501 4.103 ( -1.928 -1.371 1.561) 2.834 4.245 ( 1.093 4.364 -1.829) 4.856 4.346 ( -3.763 -4.833 1.245) 6.251 4.512 ( -8.594 -0.631 0.156) 8.618 4.574 ( -7.928 0.313 1.129) 8.014 4.630 ( -0.068 -0.910 -5.046) 5.128 4.698 ( -0.585 1.491 2.732) 3.167 4.769 ( 1.313 -3.209 1.529) 3.789 4.877 ( -3.912 3.342 -1.437) 5.342 4.973 ( 3.871 3.200 5.741) 7.628 5.005 ( 0.585 1.826 -0.030) 1.918 5.044 ( 2.392 0.658 1.240) 2.773 5.091 ( 1.023 -0.286 -0.107) 1.068 5.166 ( 0.728 2.212 -3.643) 4.324 5.255 ( 3.258 1.466 0.512) 3.609 5.339 ( 6.319 1.068 2.260) 6.796 5.349 ( 7.105 4.772 -1.125) 8.633 5.452 ( -0.835 -4.076 2.351) 4.779 5.536 ( 6.615 0.002 -5.985) 8.921 5.615 ( -5.522 3.194 1.709) 6.604 5.739 ( 5.011 -7.605 -7.832) 12.012 5.883 ( 0.634 4.469 -2.154) 5.002 5.969 ( -0.863 -0.721 1.627) 1.978 6.048 ( 1.602 1.667 4.641) 5.185 6.119 ( 2.288 6.067 3.331) 7.290 6.185 ( 0.444 5.362 -4.884) 7.267 6.280 ( -1.969 -0.335 2.439) 3.152 6.376 ( -0.480 4.161 -1.894) 4.597 6.612 ( -7.627 4.156 -3.341) 9.306 6.844 ( -4.720 -2.821 0.438) 5.517 6.889 ( 4.656 2.311 6.824) 8.578 6.938 ( 1.084 -0.368 0.810) 1.402 7.063 ( -4.653 5.314 -1.400) 7.200 7.247 ( 4.456 -3.201 0.572) 5.516 7.410 ( -2.204 -2.780 10.397) 10.986 7.559 ( -1.792 -3.490 -7.768) 8.702 7.754 ( -4.712 1.208 0.541) 4.894 7.879 ( -0.394 5.584 -0.831) 5.659 8.123 ( 1.127 -0.863 4.875) 5.078 8.161 ( 0.543 0.146 1.723) 1.812 8.274 ( 0.537 -1.738 -4.614) 4.959 8.317 ( 2.542 -0.554 1.041) 2.803 8.490 ( -5.976 -1.358 -1.830) 6.396 8.588 ( -0.434 -1.482 5.264) 5.486 8.615 ( -1.083 1.183 -0.479) 1.674 8.666 ( -0.902 1.464 -2.859) 3.336 8.860 ( -0.292 -1.068 -6.508) 6.602 9.033 ( -1.969 -9.258 4.586) 10.518 9.094 ( -1.665 -0.598 -1.773) 2.504 9.203 ( -0.292 -3.727 0.322) 3.752 9.248 ( 0.111 -3.575 1.660) 3.943 9.368 ( -1.643 -7.819 0.774) 8.027 9.707 ( -3.388 -2.653 -0.133) 4.305 9.923 ( -0.178 1.363 -0.120) 1.380 9.984 ( 4.883 -1.043 1.351) 5.173 10.063 ( 2.984 3.471 -1.379) 4.781 10.345 ( -1.858 -1.230 0.244) 2.242 10.436 ( 0.858 -4.930 0.852) 5.076 10.999 ( 0.668 1.237 0.191) 1.419 11.018 ( 0.833 1.455 -0.427) 1.730 11.389 ( -0.551 3.440 -2.524) 4.302 11.468 ( 3.684 4.817 1.193) 6.181 11.725 ( 1.866 1.033 4.759) 5.215 11.812 ( 2.974 1.424 -3.816) 5.043 12.366 ( -5.539 -1.748 -3.272) 6.666 12.496 ( -1.792 -5.332 1.924) 5.945 12.890 ( 0.465 1.061 0.250) 1.185 12.904 ( 1.041 1.485 0.039) 1.814 13.487 ( -8.455 0.014 -4.113) 9.402 13.774 ( -3.564 2.170 0.271) 4.181 13.870 ( 0.300 -3.505 0.561) 3.563 14.351 ( -2.784 2.269 -2.043) 4.132 14.485 ( 8.261 -6.797 1.823) 10.852 14.693 ( 1.767 0.398 2.697) 3.249 14.837 ( 11.987 -6.751 7.165) 15.511 15.348 ( 9.475 2.037 -18.756) 21.112 15.840 ( -7.685 -7.021 -1.810) 10.566 16.078 ( 0.183 -8.047 2.879) 8.549 16.551 ( -4.594 1.592 5.336) 7.219 16.717 ( -6.339 0.801 0.785) 6.438 16.743 ( 1.176 1.121 -4.134) 4.442 16.824 ( 2.890 -1.556 -1.884) 3.785 16.997 ( -13.538 6.972 11.187) 18.895 17.577 ( -3.610 2.328 -4.245) 6.039 ======================= Grid point 92 (37/70) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 15.110 4.282 2.816) 15.956 1.314 ( 12.313 9.507 2.343) 15.732 1.336 ( 13.786 4.815 6.227) 15.875 1.428 ( 11.838 7.364 -9.016) 16.603 1.736 ( 15.847 6.078 2.071) 17.099 1.780 ( 10.165 4.612 -1.057) 11.213 1.973 ( 19.194 10.286 3.978) 22.137 2.067 ( 5.623 6.365 -3.286) 9.107 2.113 ( 17.995 4.789 -10.487) 21.371 2.223 ( 12.760 6.813 -2.645) 14.704 2.292 ( 11.004 5.804 -0.530) 12.452 2.314 ( 12.747 2.082 0.752) 12.938 2.478 ( 5.906 6.367 -1.423) 8.800 2.528 ( 11.970 6.716 4.937) 14.586 2.657 ( 11.804 5.125 1.765) 12.989 2.707 ( 4.816 4.255 -0.917) 6.492 3.048 ( 5.224 -3.870 5.303) 8.390 3.145 ( 11.355 3.889 -0.140) 12.003 3.471 ( 0.731 -1.201 -1.070) 1.767 3.527 ( 1.814 1.752 -1.980) 3.207 3.681 ( -0.990 -0.549 -0.160) 1.143 3.695 ( 2.213 -0.851 -0.813) 2.506 3.859 ( 2.940 0.225 1.532) 3.323 4.014 ( -3.036 -3.279 1.866) 4.842 4.112 ( 1.804 -2.406 2.015) 3.620 4.209 ( -1.322 4.550 0.227) 4.744 4.316 ( -6.664 2.494 -2.807) 7.649 4.347 ( -0.824 2.575 -2.336) 3.573 4.469 ( -1.249 -4.037 -1.438) 4.464 4.602 ( -1.997 1.135 -5.303) 5.779 4.709 ( 1.061 -2.025 3.358) 4.062 4.758 ( -4.273 1.250 1.566) 4.719 4.852 ( 4.047 -3.775 -0.484) 5.555 4.998 ( -1.161 3.771 4.106) 5.695 5.047 ( 2.593 1.540 1.312) 3.289 5.100 ( 1.103 -3.822 -2.859) 4.899 5.127 ( 3.837 2.126 1.895) 4.778 5.243 ( 5.329 -2.196 5.027) 7.648 5.289 ( 1.224 -0.736 0.773) 1.624 5.441 ( 2.107 1.129 -0.039) 2.391 5.459 ( 4.408 4.118 -2.291) 6.453 5.553 ( 8.199 -1.536 0.449) 8.354 5.563 ( 0.605 0.854 0.682) 1.249 5.602 ( 2.204 -5.785 -6.034) 8.645 5.811 ( 3.049 -5.987 -5.587) 8.738 5.861 ( -1.021 -0.779 -2.451) 2.767 5.967 ( -0.452 -1.467 -0.488) 1.611 6.043 ( -0.983 6.412 2.330) 6.893 6.140 ( -2.855 1.480 -1.438) 3.523 6.196 ( -0.638 -0.031 2.468) 2.549 6.286 ( 1.394 4.288 4.874) 6.640 6.386 ( 1.493 0.999 2.468) 3.053 6.508 ( -1.229 7.844 1.898) 8.164 6.700 ( -6.481 -2.688 -2.380) 7.409 6.820 ( -5.987 6.876 -5.790) 10.800 6.965 ( -2.921 2.324 -0.176) 3.737 7.099 ( 3.053 -4.761 4.600) 7.291 7.271 ( -2.056 -3.647 1.105) 4.330 7.376 ( -2.590 -3.602 8.973) 10.010 7.516 ( -1.395 0.321 -2.534) 2.910 7.640 ( -6.283 1.201 -2.730) 6.955 7.850 ( -1.516 6.192 -3.613) 7.328 8.113 ( -3.887 -0.001 -1.387) 4.127 8.173 ( 1.825 2.005 3.989) 4.823 8.316 ( 4.455 -1.969 -3.084) 5.765 8.353 ( 0.979 -1.542 -0.232) 1.841 8.450 ( 1.736 3.472 0.366) 3.899 8.522 ( -4.825 -0.155 0.174) 4.830 8.642 ( 2.148 -0.473 2.807) 3.566 8.675 ( 2.195 0.943 1.471) 2.806 8.844 ( -0.309 -3.245 -4.816) 5.815 8.942 ( -3.238 -1.891 0.958) 3.870 9.086 ( -1.474 -0.826 -1.001) 1.964 9.184 ( -1.739 -1.037 1.318) 2.416 9.271 ( 0.796 -2.878 -0.832) 3.100 9.324 ( -2.232 -1.472 1.131) 2.902 9.684 ( 0.705 -7.279 -0.776) 7.354 9.907 ( -0.910 -1.072 -0.779) 1.608 10.063 ( 2.222 2.716 1.365) 3.765 10.112 ( 2.234 2.774 -0.950) 3.686 10.313 ( -1.052 -1.579 -0.348) 1.929 10.448 ( 0.123 -3.520 1.069) 3.681 11.013 ( 0.970 1.242 -0.916) 1.823 11.043 ( 0.981 1.244 1.388) 2.106 11.416 ( 3.879 1.463 -3.165) 5.216 11.580 ( 7.000 5.196 3.858) 9.534 11.784 ( 3.022 1.755 3.794) 5.158 11.897 ( 6.000 3.295 -3.712) 7.786 12.264 ( -3.698 0.168 -3.975) 5.432 12.443 ( -3.113 -2.423 1.780) 4.328 12.903 ( 0.648 0.990 -0.049) 1.184 12.928 ( 1.172 1.434 0.297) 1.876 13.345 ( -5.894 3.072 -0.044) 6.647 13.661 ( -5.825 5.902 -4.046) 9.227 13.835 ( -4.592 -1.575 2.685) 5.548 14.178 ( -11.988 9.469 -2.264) 15.443 14.674 ( 9.427 -4.238 4.267) 11.182 14.750 ( 5.174 -0.061 -0.051) 5.174 15.079 ( 7.814 -6.911 4.587) 11.396 15.384 ( -2.980 -1.886 -6.235) 7.163 15.718 ( -4.618 -5.770 -10.225) 12.616 16.066 ( -2.154 -10.657 6.913) 12.884 16.434 ( -10.044 3.071 7.717) 13.033 16.513 ( -7.587 6.201 -5.555) 11.264 16.767 ( 0.978 -2.304 0.089) 2.504 16.850 ( -1.646 -0.051 4.103) 4.421 16.897 ( 2.698 -4.379 -6.872) 8.584 17.489 ( -5.259 -4.832 3.584) 7.991 ======================= Grid point 93 (38/70) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 12.291 4.797 -2.183) 13.373 1.530 ( 11.476 7.744 -5.502) 14.898 1.604 ( 10.699 4.461 1.406) 11.676 1.643 ( 9.839 4.685 7.219) 13.072 1.906 ( 3.426 6.367 0.072) 7.231 2.050 ( 7.452 8.069 6.026) 12.528 2.153 ( 10.005 4.407 -6.586) 12.763 2.283 ( 11.304 1.361 0.621) 11.403 2.410 ( 11.101 1.098 -1.068) 11.206 2.480 ( 7.053 2.531 -0.606) 7.518 2.518 ( 13.978 4.147 -3.538) 15.004 2.553 ( 7.004 4.874 -0.118) 8.534 2.634 ( 12.826 2.528 3.978) 13.665 2.752 ( 4.577 1.602 -1.425) 5.054 2.783 ( 5.557 2.787 -2.013) 6.535 2.904 ( 14.002 6.240 0.078) 15.329 3.138 ( 2.561 -4.759 1.429) 5.590 3.312 ( 1.539 3.221 -6.445) 7.368 3.474 ( -0.106 2.175 3.219) 3.886 3.532 ( -3.792 4.196 2.078) 6.025 3.662 ( 0.596 1.568 8.338) 8.505 3.754 ( 4.495 -0.222 -2.356) 5.079 3.892 ( -1.163 -1.316 0.940) 1.992 3.998 ( 4.845 -1.215 0.358) 5.008 4.108 ( -1.428 -0.318 1.574) 2.149 4.243 ( 3.222 -0.997 -2.988) 4.506 4.256 ( 0.076 0.097 2.265) 2.269 4.329 ( -0.226 5.017 -4.328) 6.630 4.493 ( 4.051 -2.458 -5.613) 7.345 4.553 ( -1.400 0.820 -3.245) 3.628 4.662 ( -3.780 1.454 -1.711) 4.397 4.749 ( 0.961 -1.478 4.647) 4.970 4.957 ( 4.435 -7.576 -0.752) 8.811 4.983 ( 0.074 2.004 4.688) 5.099 5.067 ( 0.005 -0.842 -1.430) 1.660 5.131 ( 1.670 -1.005 2.006) 2.797 5.228 ( 4.827 -0.543 1.939) 5.230 5.299 ( 1.037 -3.532 1.291) 3.901 5.348 ( 2.535 -2.130 7.120) 7.852 5.465 ( 0.868 -0.047 -4.010) 4.103 5.541 ( 4.226 4.532 -0.585) 6.224 5.595 ( 0.475 -2.506 0.672) 2.638 5.632 ( 4.237 -1.728 -0.164) 4.579 5.712 ( 6.492 -2.098 -4.344) 8.088 5.822 ( -0.730 -3.955 -4.562) 6.082 5.848 ( 0.328 -2.636 -5.014) 5.674 5.934 ( -2.897 -3.179 -0.077) 4.302 6.024 ( -5.026 4.415 -1.487) 6.853 6.069 ( 0.827 2.283 3.219) 4.032 6.172 ( -2.949 -1.863 2.241) 4.146 6.278 ( 1.047 0.583 1.122) 1.642 6.396 ( -5.581 -0.220 0.090) 5.586 6.533 ( 0.729 6.961 5.866) 9.132 6.630 ( -0.091 -2.579 0.580) 2.645 6.726 ( -1.070 7.477 -2.328) 7.904 6.888 ( -2.160 3.496 -2.398) 4.758 7.054 ( -5.816 -8.847 -7.312) 12.867 7.204 ( -5.545 -0.726 9.369) 10.911 7.380 ( 1.090 -0.296 2.208) 2.480 7.453 ( -5.044 1.516 -6.065) 8.033 7.560 ( -0.671 3.665 6.144) 7.185 7.793 ( -3.254 6.888 -4.623) 8.911 8.054 ( -1.198 1.866 0.965) 2.418 8.215 ( 1.221 3.500 2.900) 4.707 8.353 ( -0.695 -0.932 -2.462) 2.723 8.368 ( -2.973 -1.972 2.233) 4.209 8.450 ( 2.666 0.013 -4.136) 4.921 8.524 ( 4.290 3.815 -0.944) 5.818 8.701 ( 2.795 -2.208 3.304) 4.859 8.748 ( 3.409 -0.419 2.424) 4.203 8.845 ( 1.241 -0.084 -0.670) 1.413 8.902 ( -1.022 0.556 -3.306) 3.505 9.051 ( -1.039 -1.423 -0.474) 1.825 9.143 ( -2.605 1.274 2.084) 3.571 9.243 ( -2.852 -2.691 0.633) 3.972 9.305 ( -0.503 -0.873 0.171) 1.022 9.713 ( 2.132 -7.923 -1.940) 8.431 9.881 ( -1.633 -3.840 -1.416) 4.406 10.092 ( 0.862 5.670 1.117) 5.843 10.141 ( 0.563 2.978 -0.075) 3.032 10.308 ( 0.611 -1.794 0.394) 1.936 10.444 ( -0.625 -2.632 -0.007) 2.705 11.029 ( 0.703 0.727 -0.439) 1.102 11.055 ( 0.008 0.816 0.773) 1.124 11.522 ( 6.594 0.792 -0.617) 6.670 11.755 ( 9.256 4.769 3.818) 11.090 11.848 ( 2.470 2.096 1.365) 3.516 12.012 ( 5.350 4.934 -5.143) 8.912 12.212 ( -0.627 2.081 -0.728) 2.292 12.392 ( -2.180 -0.401 0.766) 2.345 12.907 ( -0.331 1.533 -0.540) 1.659 12.943 ( 0.007 1.283 0.702) 1.463 13.249 ( -3.716 4.099 3.954) 6.800 13.538 ( -5.079 6.003 -6.655) 10.302 13.729 ( -5.814 1.919 3.329) 6.969 13.922 ( -12.161 8.503 -1.979) 14.970 14.836 ( 4.827 -2.570 8.613) 10.202 14.874 ( 7.402 -1.067 -4.961) 8.974 15.155 ( -2.118 0.135 5.540) 5.932 15.298 ( -2.588 -0.231 -5.431) 6.021 15.608 ( -2.148 -6.532 -11.303) 13.230 15.953 ( -11.758 -6.824 10.902) 17.426 16.303 ( -1.314 -1.747 -1.076) 2.436 16.412 ( -3.491 1.628 -1.266) 4.055 16.776 ( 0.084 -3.239 -0.031) 3.241 16.829 ( -1.062 -3.995 1.771) 4.497 16.974 ( 5.609 -4.043 -3.800) 7.889 17.386 ( -5.543 -7.844 2.395) 9.899 ======================= Grid point 94 (39/70) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 8.254 4.704 -1.103) 9.564 1.705 ( 0.502 7.482 0.555) 7.519 1.738 ( 7.908 6.767 -2.981) 10.827 1.852 ( 7.362 3.390 6.921) 10.658 1.888 ( -4.368 7.509 0.164) 8.689 2.078 ( -0.469 3.038 -2.983) 4.283 2.382 ( 8.070 3.091 5.287) 10.130 2.466 ( 7.169 0.698 -0.319) 7.210 2.543 ( 2.433 1.418 -0.518) 2.863 2.559 ( 1.064 0.343 -0.731) 1.336 2.629 ( 1.445 2.846 -2.786) 4.237 2.723 ( 5.040 1.381 1.524) 5.443 2.781 ( 0.259 0.405 -3.712) 3.743 2.842 ( 4.851 0.080 1.974) 5.238 2.889 ( 6.936 3.798 1.250) 8.006 3.125 ( -2.448 3.956 -7.693) 8.990 3.161 ( 5.831 2.883 1.911) 6.780 3.260 ( -1.623 4.262 -5.758) 7.345 3.423 ( -4.696 3.284 1.053) 5.826 3.447 ( -2.326 0.883 0.209) 2.497 3.675 ( 1.273 1.626 13.152) 13.313 3.852 ( 2.445 -5.935 -0.761) 6.464 3.898 ( 1.040 -3.839 1.446) 4.232 4.064 ( -1.486 -1.389 -5.346) 5.720 4.142 ( 5.244 4.434 2.515) 7.313 4.224 ( -3.154 1.616 -0.341) 3.560 4.306 ( 2.651 -0.165 -2.097) 3.384 4.329 ( 0.009 -0.475 -1.416) 1.493 4.549 ( 0.480 2.818 3.378) 4.425 4.584 ( 1.132 2.871 -0.238) 3.096 4.639 ( 6.272 -1.561 -6.208) 8.962 4.741 ( -3.013 -1.178 -0.080) 3.236 4.991 ( 1.457 -4.325 -0.116) 4.565 5.002 ( -0.421 -3.468 2.611) 4.361 5.107 ( 3.049 -1.261 1.264) 3.533 5.166 ( 1.766 -0.929 0.189) 2.005 5.259 ( -1.330 -2.496 1.598) 3.249 5.341 ( 0.321 -6.786 -4.343) 8.064 5.373 ( 0.211 -1.327 5.623) 5.781 5.469 ( 0.644 -0.355 0.061) 0.738 5.597 ( -0.720 -0.614 6.507) 6.575 5.628 ( 2.452 -0.249 -0.194) 2.473 5.703 ( 1.900 1.762 1.011) 2.781 5.776 ( -0.102 -3.097 -4.091) 5.132 5.811 ( 2.593 -1.370 -7.574) 8.122 5.846 ( -1.128 -1.194 -1.259) 2.070 5.877 ( -0.288 -1.745 1.604) 2.388 5.954 ( 0.734 0.912 0.320) 1.214 6.073 ( -3.468 -1.115 -5.132) 6.293 6.142 ( -2.641 2.363 2.738) 4.478 6.220 ( -3.629 -2.197 -2.149) 4.756 6.356 ( 4.503 -3.917 3.576) 6.958 6.507 ( -3.622 3.827 1.515) 5.482 6.634 ( -1.112 -4.846 -1.148) 5.103 6.719 ( 0.267 9.542 0.352) 9.552 6.875 ( -3.575 0.941 -5.720) 6.811 6.996 ( 5.301 -2.033 3.649) 6.749 7.129 ( -2.349 0.945 9.497) 9.828 7.304 ( -5.365 2.166 -7.850) 9.751 7.390 ( -2.590 3.300 -5.207) 6.687 7.594 ( 1.808 3.767 8.281) 9.275 7.737 ( -0.829 5.889 -2.990) 6.656 8.070 ( 2.050 2.685 4.668) 5.762 8.214 ( -1.782 3.004 0.351) 3.510 8.293 ( -2.418 -0.391 2.126) 3.244 8.340 ( -0.145 0.999 -3.660) 3.797 8.521 ( 3.141 0.767 -1.949) 3.775 8.594 ( 2.307 1.723 -3.541) 4.565 8.742 ( 0.151 -2.541 2.223) 3.379 8.769 ( -1.041 -1.032 -0.378) 1.514 8.876 ( 1.338 0.511 0.188) 1.445 8.904 ( 1.413 0.671 -0.044) 1.565 9.066 ( 1.491 0.339 0.542) 1.623 9.092 ( -1.917 0.891 1.000) 2.338 9.200 ( -0.982 -2.641 2.775) 3.954 9.284 ( -1.490 -1.150 -0.911) 2.091 9.755 ( 2.429 -6.437 -1.590) 7.061 9.834 ( -2.740 -5.571 -2.432) 6.667 10.109 ( 0.763 5.793 1.025) 5.932 10.139 ( -0.458 3.786 -0.088) 3.814 10.335 ( 1.716 -1.643 1.779) 2.968 10.423 ( -1.430 -2.269 -1.327) 2.992 11.040 ( 0.494 0.386 -0.025) 0.628 11.050 ( -0.426 0.495 0.215) 0.688 11.651 ( 5.488 0.220 3.536) 6.532 11.847 ( -1.901 -1.777 -0.907) 2.756 11.944 ( 6.679 7.379 -0.159) 9.954 12.052 ( -0.369 7.291 -5.088) 8.899 12.240 ( 2.525 3.489 3.404) 5.490 12.355 ( -1.533 1.240 -1.332) 2.379 12.899 ( 0.356 1.992 -0.052) 2.025 12.929 ( -1.408 1.372 0.409) 2.008 13.224 ( 0.134 4.259 6.191) 7.516 13.444 ( -2.773 5.338 -8.272) 10.228 13.648 ( -2.046 3.843 2.776) 5.163 13.724 ( -6.432 6.256 -1.028) 9.031 14.905 ( 0.182 -1.664 9.884) 10.024 15.012 ( 5.887 -1.541 -4.812) 7.758 15.082 ( -1.371 3.021 1.107) 3.497 15.225 ( -3.668 3.956 -6.719) 8.617 15.653 ( 6.447 -9.168 -6.767) 13.092 15.709 ( -12.139 -5.670 7.647) 15.427 16.307 ( -0.515 -3.401 2.782) 4.423 16.363 ( -0.445 -1.161 -2.618) 2.898 16.779 ( 0.374 -3.471 0.131) 3.494 16.808 ( -1.159 -4.071 -0.321) 4.245 17.094 ( 6.450 -5.840 1.003) 8.759 17.276 ( -5.681 -8.211 -0.578) 10.001 ======================= Grid point 95 (40/70) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -11.885 5.828 -0.934) 13.270 1.652 ( -7.508 7.017 2.857) 10.667 1.722 ( -2.001 6.965 0.750) 7.286 1.879 ( 0.632 9.369 -3.456) 10.006 1.926 ( -0.475 2.373 5.452) 5.965 2.086 ( 1.517 1.731 -3.971) 4.590 2.449 ( -4.447 1.077 0.905) 4.665 2.499 ( -6.195 1.181 -2.220) 6.685 2.515 ( -2.213 1.614 0.475) 2.780 2.541 ( 0.066 1.643 -0.733) 1.800 2.659 ( -0.717 0.541 3.580) 3.691 2.698 ( -3.751 0.038 -4.569) 5.912 2.742 ( -3.960 0.790 5.217) 6.597 2.864 ( -6.513 -1.106 -4.993) 8.281 2.890 ( -9.591 6.389 -0.217) 11.526 3.059 ( 2.282 5.628 -1.927) 6.372 3.105 ( -7.717 2.894 3.382) 8.909 3.313 ( 2.232 7.116 -5.261) 9.126 3.410 ( 4.032 2.713 1.362) 5.047 3.446 ( 2.403 0.855 -1.062) 2.763 3.756 ( 2.681 -1.718 12.741) 13.133 3.867 ( -0.201 -6.352 -2.338) 6.771 3.897 ( -1.295 -4.839 2.353) 5.534 4.024 ( -0.027 -0.412 -8.593) 8.603 4.152 ( -3.049 2.577 0.647) 4.045 4.202 ( 0.005 4.683 4.026) 6.176 4.303 ( -2.193 -1.450 -2.802) 3.843 4.324 ( -0.974 1.259 -1.757) 2.371 4.504 ( -6.663 2.685 4.174) 8.308 4.592 ( -0.944 -0.131 0.414) 1.039 4.646 ( -2.694 1.238 -3.603) 4.666 4.783 ( 5.773 0.789 -3.688) 6.896 4.964 ( -1.875 -5.898 1.795) 6.444 5.061 ( 2.764 -3.865 -2.356) 5.303 5.135 ( -0.946 -0.486 1.688) 1.995 5.172 ( -1.054 -0.872 -1.617) 2.118 5.220 ( -2.736 -5.234 2.097) 6.267 5.296 ( -1.770 -2.558 2.221) 3.822 5.408 ( 1.962 -3.280 0.062) 3.822 5.478 ( -0.964 0.539 5.232) 5.347 5.569 ( -3.133 2.901 0.370) 4.286 5.622 ( -0.167 -3.702 4.900) 6.143 5.727 ( -0.450 0.008 -3.081) 3.114 5.747 ( -4.041 -2.276 -3.671) 5.915 5.809 ( 0.484 -0.102 -0.023) 0.495 5.840 ( 0.114 -2.223 -4.990) 5.464 5.950 ( -2.370 -3.520 -1.223) 4.417 5.975 ( 5.223 -2.378 2.438) 6.235 6.009 ( -2.218 2.748 -3.999) 5.335 6.074 ( 6.507 3.485 -0.977) 7.446 6.280 ( 0.674 -4.142 5.867) 7.213 6.371 ( -1.557 -1.261 -6.057) 6.380 6.513 ( 3.302 -1.871 7.825) 8.697 6.593 ( -0.029 -1.693 -4.345) 4.663 6.719 ( -0.971 6.723 4.401) 8.093 6.822 ( 0.086 3.290 -4.943) 5.938 7.103 ( -1.260 3.133 2.649) 4.292 7.142 ( 1.915 0.188 1.839) 2.662 7.253 ( 3.432 1.138 2.910) 4.641 7.329 ( 0.762 3.989 -6.824) 7.941 7.647 ( 2.008 3.577 5.839) 7.135 7.737 ( 0.703 4.080 -4.731) 6.286 8.140 ( 2.901 1.693 5.975) 6.855 8.163 ( -2.221 2.928 -2.043) 4.205 8.282 ( 0.659 0.461 1.063) 1.333 8.345 ( 1.483 1.285 -2.367) 3.075 8.528 ( -2.848 0.532 -1.461) 3.245 8.587 ( -1.604 1.654 -4.174) 4.768 8.735 ( -1.303 -1.594 2.426) 3.182 8.744 ( -0.471 -1.403 1.574) 2.161 8.900 ( -0.248 0.044 -0.758) 0.798 8.905 ( -1.253 0.490 -0.602) 1.474 9.039 ( -0.879 0.470 1.782) 2.042 9.131 ( 2.983 0.218 -1.575) 3.380 9.216 ( 0.734 -1.347 4.040) 4.321 9.264 ( 0.795 -1.528 -1.336) 2.179 9.755 ( -3.439 -6.157 -1.587) 7.229 9.813 ( 2.467 -5.242 -1.184) 5.914 10.126 ( 0.137 4.385 0.486) 4.414 10.130 ( 0.248 4.545 -0.097) 4.553 10.373 ( 0.756 -1.974 2.095) 2.976 10.386 ( -1.158 -1.928 -1.681) 2.808 11.041 ( -0.538 0.456 -0.061) 0.708 11.051 ( 0.580 0.417 0.174) 0.736 11.736 ( -2.198 -0.955 2.938) 3.792 11.747 ( -3.181 -0.386 -0.149) 3.207 11.949 ( -5.866 8.234 -0.006) 10.110 12.030 ( -1.015 7.127 -2.896) 7.760 12.295 ( 0.516 1.031 0.768) 1.385 12.335 ( 1.224 2.857 -1.337) 3.383 12.905 ( -0.493 1.733 -0.484) 1.865 12.929 ( 1.860 1.363 0.493) 2.358 13.269 ( 2.969 4.562 7.489) 9.259 13.396 ( -0.229 4.014 -9.038) 9.892 13.664 ( 1.673 5.790 1.950) 6.335 13.707 ( 6.442 5.239 -0.449) 8.315 14.862 ( -5.046 0.350 6.892) 8.549 15.050 ( 1.480 0.685 3.240) 3.627 15.155 ( -1.089 2.622 -6.658) 7.238 15.215 ( 9.575 -0.350 -9.559) 13.534 15.472 ( -10.243 -6.661 8.868) 15.098 15.842 ( 10.983 -7.503 -3.111) 13.660 16.267 ( -3.431 -3.053 3.398) 5.713 16.386 ( 2.472 -1.352 -2.173) 3.558 16.786 ( -0.800 -3.307 -0.495) 3.438 16.794 ( 0.994 -3.839 0.695) 4.026 17.155 ( -5.567 -7.271 -3.584) 9.834 17.230 ( 6.237 -7.312 3.189) 10.126 ======================= Grid point 96 (41/70) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -16.510 8.034 3.525) 18.696 1.412 ( -15.403 8.456 3.058) 17.835 1.655 ( -6.607 6.084 -1.907) 9.182 1.786 ( -6.701 2.381 -2.126) 7.423 1.912 ( -3.308 6.644 4.086) 8.472 2.026 ( -7.958 3.497 -4.518) 9.797 2.243 ( -16.780 2.596 -3.371) 17.311 2.334 ( -7.850 2.654 -1.160) 8.368 2.385 ( -13.046 3.329 -1.963) 13.606 2.471 ( -8.104 3.684 0.275) 8.906 2.526 ( -11.839 6.228 -4.876) 14.238 2.568 ( -9.053 3.306 -3.754) 10.343 2.636 ( -8.960 1.272 5.908) 10.808 2.686 ( -3.050 1.195 3.582) 4.854 2.726 ( -8.850 1.106 1.742) 9.088 2.917 ( -10.985 4.998 -1.569) 12.170 3.054 ( -1.842 2.657 6.437) 7.204 3.303 ( -1.863 1.732 -4.026) 4.762 3.490 ( 0.979 1.674 1.255) 2.310 3.541 ( 5.703 3.293 0.233) 6.589 3.773 ( -4.527 -1.167 0.972) 4.775 3.839 ( -1.346 -1.816 -6.026) 6.436 3.888 ( 0.164 -4.619 5.536) 7.212 4.031 ( 1.079 -0.407 -5.897) 6.009 4.113 ( -3.011 1.465 4.270) 5.427 4.154 ( -1.662 1.089 0.823) 2.150 4.245 ( -4.566 3.943 -0.569) 6.060 4.297 ( 3.032 5.656 -1.683) 6.634 4.393 ( -2.749 -3.234 2.978) 5.185 4.519 ( -3.923 -1.995 -1.609) 4.686 4.668 ( 3.029 4.526 -0.862) 5.514 4.838 ( 0.801 1.216 -2.324) 2.742 4.915 ( -3.884 -7.141 3.165) 8.724 5.066 ( -2.724 -3.352 -2.429) 4.955 5.083 ( -0.719 -2.904 -2.621) 3.977 5.168 ( -2.940 -4.694 3.864) 6.753 5.181 ( 0.770 0.463 -0.966) 1.319 5.271 ( -2.057 0.612 5.999) 6.372 5.429 ( -0.779 2.438 -0.692) 2.651 5.451 ( -2.339 1.586 6.333) 6.935 5.510 ( -2.409 -1.302 -6.645) 7.187 5.602 ( -4.959 -6.065 0.601) 7.857 5.631 ( -3.740 1.852 1.966) 4.614 5.719 ( -1.606 -1.157 -1.820) 2.689 5.767 ( -1.894 -0.478 -5.830) 6.149 5.813 ( -2.039 -4.391 -2.910) 5.648 5.925 ( 2.791 -1.382 0.544) 3.161 6.024 ( 3.847 2.242 -0.767) 4.518 6.106 ( 1.795 -0.244 -1.002) 2.070 6.190 ( 1.693 -4.519 2.914) 5.637 6.271 ( 3.844 0.791 3.983) 5.592 6.377 ( 2.644 2.740 -3.136) 4.933 6.553 ( 1.634 0.814 3.320) 3.788 6.677 ( 1.085 6.690 4.808) 8.310 6.709 ( 3.021 0.170 -3.755) 4.822 6.857 ( 3.644 -1.130 2.928) 4.809 6.946 ( -7.956 3.629 -5.683) 10.429 7.273 ( 6.772 0.674 8.538) 10.918 7.334 ( 2.942 1.614 1.120) 3.538 7.422 ( 7.221 -1.819 -3.292) 8.142 7.699 ( 2.307 4.217 3.971) 6.235 7.725 ( -0.698 3.112 -7.778) 8.406 8.103 ( -2.000 2.373 -2.376) 3.909 8.219 ( 2.514 1.149 4.942) 5.662 8.290 ( -0.556 -0.562 -1.256) 1.484 8.392 ( 0.105 2.358 1.891) 3.024 8.453 ( 0.517 -2.292 -4.556) 5.126 8.530 ( -3.286 2.295 -1.629) 4.327 8.700 ( -2.415 -0.943 5.386) 5.978 8.739 ( -1.530 -1.004 0.525) 1.904 8.838 ( -4.861 1.137 -0.047) 4.992 8.899 ( 2.022 -0.306 -2.573) 3.287 9.061 ( 2.187 -1.582 -0.931) 2.855 9.182 ( 2.260 1.657 -1.432) 3.147 9.233 ( 0.622 -2.883 2.259) 3.715 9.297 ( 1.645 -0.989 0.528) 1.990 9.690 ( -2.416 -6.557 -0.606) 7.014 9.856 ( 1.724 -3.923 0.045) 4.285 10.117 ( -0.557 4.400 -0.910) 4.528 10.142 ( 0.046 2.764 0.458) 2.802 10.338 ( -1.676 -1.963 -2.409) 3.531 10.408 ( 0.917 -1.986 3.041) 3.746 11.027 ( -0.904 0.777 -0.158) 1.202 11.063 ( 0.494 0.642 0.169) 0.827 11.552 ( -9.516 0.283 -3.106) 10.014 11.772 ( -0.805 1.017 8.868) 8.962 11.803 ( -7.758 6.805 -1.253) 10.395 11.966 ( -4.114 5.284 -2.771) 7.247 12.264 ( -1.459 1.298 -3.917) 4.377 12.386 ( 2.490 -0.164 1.467) 2.895 12.905 ( 0.223 1.660 -0.363) 1.713 12.948 ( -0.222 0.871 0.338) 0.960 13.368 ( 4.691 3.473 2.983) 6.555 13.413 ( 4.314 4.260 -4.790) 7.727 13.728 ( 3.853 5.225 2.648) 7.012 13.924 ( 14.112 6.733 -1.918) 15.753 14.773 ( -4.876 1.959 4.576) 6.968 14.994 ( -8.829 -3.536 -4.060) 10.341 15.152 ( 1.538 1.291 6.266) 6.580 15.294 ( -1.415 -3.259 -5.423) 6.483 15.475 ( 9.805 -6.081 -1.550) 11.641 16.074 ( 12.069 -4.656 2.975) 13.273 16.201 ( -3.278 -2.665 2.056) 4.698 16.446 ( 4.066 1.366 -2.067) 4.761 16.776 ( -0.155 -2.777 -0.056) 2.782 16.817 ( 0.777 -3.838 1.615) 4.236 17.042 ( -4.058 -5.586 -7.561) 10.239 17.366 ( 6.714 -7.753 4.292) 11.118 ======================= Grid point 97 (42/70) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -14.174 9.256 9.671) 19.496 1.091 ( -16.105 10.098 8.124) 20.672 1.437 ( -13.806 4.601 -6.474) 15.928 1.638 ( -8.798 2.123 -5.199) 10.438 1.748 ( -14.128 7.570 -1.766) 16.125 1.826 ( -15.179 7.626 0.273) 16.989 1.859 ( -17.599 5.973 2.256) 18.722 1.919 ( -21.800 10.491 3.322) 24.420 2.141 ( -16.036 11.320 -3.133) 19.877 2.233 ( -12.972 2.560 -2.357) 13.431 2.296 ( -11.631 6.758 0.000) 13.451 2.362 ( -11.739 0.334 -3.081) 12.141 2.475 ( -2.625 3.097 -1.365) 4.283 2.567 ( -9.223 6.760 -1.190) 11.497 2.659 ( -3.193 2.446 2.919) 4.970 2.688 ( -8.546 7.169 -0.146) 11.156 3.031 ( -3.164 1.397 7.515) 8.273 3.222 ( -5.749 -2.282 -5.096) 8.014 3.449 ( -4.340 -1.104 1.422) 4.699 3.566 ( -7.289 2.425 -6.418) 10.010 3.619 ( -1.825 1.658 1.951) 3.144 3.791 ( -1.892 -0.250 -6.712) 6.978 3.893 ( -1.598 -4.949 2.343) 5.704 4.032 ( -2.079 1.196 6.062) 6.519 4.097 ( 1.934 -1.919 -1.999) 3.379 4.209 ( 3.638 1.359 2.574) 4.659 4.232 ( 5.424 0.750 -1.484) 5.673 4.359 ( 2.385 5.118 -2.205) 6.061 4.431 ( 6.384 -2.449 0.855) 6.891 4.468 ( -0.668 1.011 3.456) 3.662 4.739 ( 3.654 3.208 -0.229) 4.868 4.819 ( -2.614 -5.982 1.224) 6.642 4.853 ( -1.409 1.687 -1.036) 2.430 4.984 ( -5.158 -3.918 2.353) 6.891 5.045 ( -2.877 -1.851 -0.656) 3.483 5.141 ( -0.232 1.560 -1.209) 1.987 5.177 ( -0.749 2.697 -3.593) 4.554 5.232 ( -2.996 0.421 6.367) 7.049 5.345 ( -6.985 0.591 -0.870) 7.064 5.416 ( -2.428 3.998 1.138) 4.814 5.464 ( -2.025 1.229 -4.219) 4.838 5.487 ( -3.988 -5.639 3.552) 7.767 5.551 ( -4.964 0.957 -0.899) 5.135 5.655 ( -1.492 -1.661 -6.256) 6.642 5.752 ( -2.712 -4.832 -0.050) 5.542 5.806 ( 2.557 0.095 1.934) 3.207 5.992 ( 0.894 -5.873 -3.143) 6.721 6.055 ( 0.953 6.553 -0.639) 6.653 6.134 ( 4.511 -0.536 1.899) 4.924 6.235 ( 0.866 -1.632 -1.361) 2.295 6.323 ( 1.594 3.510 -0.381) 3.874 6.480 ( 3.928 2.345 0.537) 4.606 6.579 ( -5.012 8.829 -2.892) 10.556 6.648 ( 5.491 4.482 4.510) 8.401 6.714 ( -3.414 -0.438 -2.870) 4.481 6.914 ( 5.368 -1.795 4.829) 7.441 6.974 ( 4.847 -2.564 7.931) 9.642 7.340 ( -2.250 0.887 -2.440) 3.435 7.406 ( 4.115 -0.761 8.638) 9.598 7.560 ( 6.760 -3.091 -5.413) 9.195 7.684 ( -1.357 2.125 -6.877) 7.325 7.755 ( 2.238 4.411 3.842) 6.263 8.090 ( 1.297 2.053 0.883) 2.584 8.243 ( -0.952 0.050 1.764) 2.005 8.248 ( -3.098 -0.153 -1.488) 3.440 8.352 ( -0.610 -0.900 -1.053) 1.514 8.473 ( -1.370 2.481 -0.703) 2.920 8.554 ( 5.951 0.533 -1.927) 6.278 8.667 ( -2.011 -1.013 7.198) 7.542 8.689 ( -3.473 -1.930 -2.875) 4.904 8.744 ( -2.927 1.568 -0.712) 3.396 8.979 ( 5.750 -4.025 -1.397) 7.156 9.087 ( -0.145 -2.089 -1.115) 2.372 9.218 ( 1.775 0.028 -1.500) 2.324 9.242 ( -0.147 -2.856 1.866) 3.415 9.326 ( 1.163 -1.708 0.816) 2.222 9.664 ( 0.026 -5.692 0.342) 5.702 9.882 ( 0.862 -1.803 0.734) 2.128 10.096 ( -1.521 3.980 -0.532) 4.294 10.119 ( -2.527 -0.264 -1.343) 2.874 10.315 ( -0.173 -1.552 -1.026) 1.868 10.426 ( 0.326 -1.705 2.859) 3.345 11.004 ( -1.323 1.368 -0.072) 1.904 11.069 ( 0.060 0.678 -0.376) 0.778 11.387 ( -5.878 1.784 -0.886) 6.206 11.654 ( -6.445 5.436 -2.904) 8.917 11.750 ( -2.768 2.260 8.356) 9.088 11.880 ( -3.523 2.771 -3.587) 5.740 12.248 ( 0.764 0.672 -3.048) 3.214 12.438 ( 2.495 -2.135 2.002) 3.846 12.903 ( -0.411 1.258 -0.057) 1.324 12.929 ( -1.421 1.094 0.260) 1.812 13.426 ( 2.362 2.094 -7.231) 7.891 13.556 ( 8.073 4.238 5.247) 10.520 13.802 ( 2.256 3.399 3.611) 5.448 14.213 ( 14.073 5.600 -4.025) 15.672 14.684 ( -5.339 2.530 3.632) 6.935 14.768 ( -10.748 -4.174 -0.917) 11.567 15.149 ( -9.333 -1.744 9.859) 13.687 15.225 ( -0.603 -6.750 -7.502) 10.110 15.684 ( 10.808 -6.839 -4.780) 13.655 16.164 ( -0.150 -3.601 -2.862) 4.603 16.321 ( 10.473 1.617 10.630) 15.010 16.546 ( 6.337 3.647 -2.402) 7.697 16.772 ( -0.641 -2.961 -0.303) 3.045 16.820 ( -0.739 -2.066 1.490) 2.652 16.995 ( 1.686 -4.469 -7.804) 9.149 17.522 ( 8.455 -5.828 1.594) 10.392 ======================= Grid point 98 (43/70) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -13.989 10.675 8.622) 19.596 0.880 ( -10.060 12.938 17.671) 24.101 1.125 ( -14.426 7.240 -7.556) 17.822 1.323 ( -16.873 12.677 -3.920) 21.465 1.380 ( -19.680 17.840 10.263) 28.476 1.470 ( -13.528 9.559 -5.305) 17.393 1.514 ( -11.237 10.185 3.758) 15.625 1.791 ( -10.493 9.956 -2.296) 14.646 1.846 ( -2.375 7.640 13.785) 15.939 1.994 ( -9.246 4.191 -1.734) 10.298 2.091 ( -8.257 6.260 -1.680) 10.497 2.157 ( -8.447 5.441 -3.431) 10.617 2.327 ( -8.961 10.942 -10.486) 17.606 2.471 ( 0.552 4.897 -1.534) 5.161 2.564 ( -5.499 6.587 -4.864) 9.863 2.607 ( -2.358 2.747 1.874) 4.076 2.920 ( -6.843 3.947 0.509) 7.916 3.088 ( -4.972 -4.298 -7.075) 9.656 3.388 ( -2.377 -3.923 3.640) 5.856 3.446 ( -2.910 0.757 -1.003) 3.170 3.608 ( -0.506 1.146 3.940) 4.135 3.743 ( -2.141 -2.419 -3.894) 5.059 3.847 ( -1.659 -3.267 -0.674) 3.726 3.984 ( -3.470 0.922 2.535) 4.395 4.121 ( 0.695 -1.534 0.723) 1.833 4.269 ( -0.736 -2.764 -4.568) 5.389 4.367 ( 8.823 0.904 0.678) 8.895 4.452 ( 3.866 1.933 6.350) 7.681 4.516 ( 5.716 2.358 1.103) 6.281 4.574 ( 7.293 -2.267 -0.446) 7.650 4.756 ( -1.921 -3.286 -0.132) 3.809 4.801 ( -0.425 -3.262 -0.594) 3.343 4.850 ( 1.881 3.564 1.406) 4.268 4.910 ( -2.249 1.991 3.800) 4.844 4.992 ( -2.060 1.766 2.027) 3.387 5.098 ( -3.434 5.725 -0.501) 6.694 5.168 ( 0.372 3.252 -6.428) 7.213 5.173 ( -3.984 -1.006 1.182) 4.276 5.223 ( -2.843 2.067 1.448) 3.802 5.342 ( -4.116 3.752 0.141) 5.571 5.360 ( -6.729 1.216 1.071) 6.922 5.445 ( -3.078 3.090 -2.890) 5.233 5.522 ( 2.426 -2.723 -0.582) 3.693 5.632 ( -2.391 -5.959 -0.558) 6.445 5.703 ( 1.428 0.549 -4.493) 4.746 5.855 ( 0.319 1.750 1.909) 2.609 5.946 ( -2.021 -3.140 0.068) 3.735 6.113 ( 0.513 5.822 -3.797) 6.970 6.194 ( 0.555 -1.771 1.120) 2.168 6.227 ( -0.294 -0.350 -5.118) 5.138 6.327 ( -2.378 5.831 -3.157) 7.044 6.415 ( -2.894 6.282 -5.348) 8.743 6.545 ( 1.341 7.822 1.750) 8.127 6.765 ( 5.759 -3.371 8.271) 10.627 6.804 ( 8.309 2.840 6.840) 11.131 6.973 ( -3.281 -7.840 3.620) 9.238 7.044 ( 0.484 1.466 2.448) 2.894 7.297 ( 1.054 0.318 -3.861) 4.015 7.441 ( -2.162 -2.565 2.623) 4.258 7.623 ( 1.055 -3.169 -8.281) 8.929 7.718 ( 5.503 1.929 2.760) 6.451 7.814 ( 3.434 4.734 4.658) 7.476 8.157 ( 1.938 -1.511 5.231) 5.779 8.181 ( -0.080 -0.433 1.006) 1.098 8.225 ( -1.265 -0.366 -3.657) 3.887 8.353 ( 0.160 -1.421 -1.665) 2.195 8.478 ( 2.031 4.131 -1.047) 4.721 8.580 ( -4.189 -2.980 -0.101) 5.142 8.628 ( 0.588 1.266 -0.811) 1.615 8.671 ( 1.339 -0.278 5.016) 5.199 8.738 ( 1.810 0.870 -0.190) 2.017 9.022 ( -4.705 0.277 1.901) 5.082 9.110 ( 5.101 -8.017 -1.079) 9.564 9.231 ( -0.357 -2.500 -1.729) 3.060 9.271 ( 3.522 -6.790 -0.257) 7.653 9.340 ( -0.564 -6.113 3.189) 6.918 9.700 ( 3.834 -1.926 0.217) 4.296 9.903 ( 1.337 1.106 1.334) 2.189 10.020 ( -7.022 -2.105 -1.831) 7.556 10.056 ( -2.613 2.414 -0.090) 3.558 10.326 ( 1.155 -2.005 1.283) 2.645 10.433 ( -0.038 -1.066 1.189) 1.597 10.980 ( -0.812 1.883 0.366) 2.083 11.059 ( -0.901 0.230 -2.058) 2.258 11.336 ( 0.894 3.744 0.801) 3.931 11.541 ( -4.179 4.609 -4.127) 7.466 11.710 ( -2.355 2.413 5.837) 6.741 11.819 ( -1.860 0.683 -3.888) 4.364 12.291 ( 4.335 -0.154 2.398) 4.956 12.485 ( 1.300 -3.411 2.088) 4.205 12.894 ( -0.305 1.210 -0.048) 1.249 12.902 ( -1.177 1.274 0.211) 1.747 13.448 ( 2.058 1.914 -1.975) 3.435 13.739 ( 9.624 2.948 4.541) 11.042 13.809 ( -2.595 0.000 2.678) 3.729 14.361 ( -3.666 -0.796 -2.703) 4.623 14.536 ( -4.884 -4.057 -2.594) 6.859 14.685 ( -1.416 -0.869 4.565) 4.858 14.866 ( -13.839 2.137 8.076) 16.165 15.202 ( -1.388 -1.634 -10.801) 11.012 15.874 ( 8.871 -7.553 -3.602) 12.195 16.147 ( -2.211 -5.185 -4.275) 7.074 16.510 ( 6.279 3.938 10.251) 12.650 16.658 ( 3.497 3.223 0.111) 4.757 16.750 ( -0.219 -2.840 -1.119) 3.060 16.812 ( -0.383 -1.367 0.079) 1.422 17.084 ( 7.036 -1.588 3.283) 7.924 17.692 ( 7.910 -1.380 -11.202) 13.783 ======================= Grid point 99 (44/70) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 4.724 16.704 7.405) 18.873 1.115 ( -4.329 18.301 4.297) 19.291 1.219 ( 0.273 14.408 -0.470) 14.418 1.409 ( 0.003 17.685 -7.795) 19.326 1.600 ( -0.228 15.159 0.523) 15.169 1.612 ( 0.487 12.027 0.921) 12.072 1.757 ( 0.757 16.288 3.753) 16.732 1.840 ( -0.788 8.485 -0.084) 8.522 1.995 ( -0.314 5.340 4.260) 6.838 2.099 ( 4.319 8.589 -2.093) 9.839 2.229 ( -0.568 17.505 2.718) 17.724 2.324 ( 0.371 15.933 0.755) 15.955 2.464 ( -1.564 11.221 -2.541) 11.611 2.550 ( -1.974 8.077 -2.223) 8.607 2.662 ( 2.206 4.844 -1.117) 5.439 2.711 ( 0.331 9.236 -4.148) 10.131 2.895 ( -3.924 1.899 0.558) 4.395 2.964 ( 1.537 -0.260 -3.929) 4.227 3.262 ( 1.143 -5.824 0.203) 5.939 3.314 ( -2.257 -6.385 -4.666) 8.224 3.575 ( -0.707 -5.336 4.482) 7.005 3.639 ( 0.343 -0.963 -1.005) 1.434 3.898 ( 2.856 1.403 6.148) 6.923 3.984 ( -1.828 2.945 -0.903) 3.582 4.083 ( 0.221 -3.109 0.911) 3.247 4.165 ( 1.016 -3.003 -6.702) 7.414 4.436 ( -4.332 1.428 4.958) 6.737 4.502 ( 2.315 -1.348 1.221) 2.944 4.649 ( 3.137 1.833 -0.711) 3.703 4.682 ( -0.991 1.569 -2.523) 3.132 4.759 ( 4.405 4.805 1.565) 6.704 4.781 ( -2.902 3.497 0.036) 4.545 4.866 ( 0.710 -1.037 5.019) 5.174 4.934 ( -1.239 0.710 -1.030) 1.761 5.051 ( -2.249 3.044 7.196) 8.131 5.129 ( 0.826 2.725 -0.173) 2.853 5.185 ( -1.355 4.737 -3.391) 5.981 5.223 ( -0.664 3.930 -6.513) 7.635 5.358 ( -3.737 2.330 -1.113) 4.542 5.365 ( 3.709 4.872 -0.099) 6.124 5.394 ( 0.196 3.012 3.551) 4.660 5.449 ( -1.930 2.474 -2.906) 4.276 5.475 ( -1.382 3.083 -1.969) 3.910 5.512 ( 5.982 -3.290 -6.338) 9.316 5.811 ( -6.303 1.559 2.936) 7.126 5.880 ( 4.946 1.258 -3.560) 6.222 5.974 ( 4.028 1.747 6.401) 7.762 6.043 ( -3.443 1.055 0.600) 3.650 6.137 ( -0.405 -2.232 2.027) 3.042 6.192 ( -0.427 -1.601 -3.379) 3.763 6.402 ( 0.278 3.806 3.121) 4.929 6.528 ( -2.709 3.865 -8.111) 9.385 6.742 ( 3.047 4.994 4.786) 7.559 6.811 ( -3.042 2.800 -0.470) 4.161 6.906 ( 4.241 -0.001 4.497) 6.181 6.954 ( -3.359 -1.230 -0.818) 3.670 7.025 ( 3.172 -0.281 10.638) 11.104 7.272 ( -0.301 -1.117 -12.218) 12.273 7.342 ( -0.319 -3.526 4.723) 5.903 7.509 ( -1.079 -5.511 -9.461) 11.002 7.865 ( -4.680 -2.313 5.292) 7.433 7.881 ( 4.995 0.251 4.735) 6.887 8.092 ( 1.916 -0.390 1.321) 2.360 8.133 ( -2.484 -1.304 -0.657) 2.882 8.248 ( 2.916 -0.740 0.411) 3.036 8.283 ( -1.798 -0.314 -4.043) 4.436 8.536 ( 1.229 -1.091 2.453) 2.953 8.544 ( 0.106 -3.181 1.046) 3.351 8.592 ( -2.597 0.087 0.567) 2.659 8.673 ( 0.047 -1.365 -3.680) 3.925 8.821 ( 1.322 -1.764 4.613) 5.113 8.912 ( -0.622 -5.918 -3.925) 7.128 9.031 ( -1.092 -3.466 1.959) 4.128 9.083 ( 2.888 -0.731 -3.173) 4.353 9.213 ( 0.571 -2.728 2.605) 3.815 9.246 ( -1.872 -1.974 0.112) 2.723 9.798 ( 5.569 -1.286 0.338) 5.726 9.806 ( -6.266 -1.565 -0.201) 6.461 10.000 ( 0.433 1.474 3.631) 3.943 10.043 ( 0.963 0.472 0.528) 1.196 10.319 ( 0.931 -1.269 0.364) 1.616 10.377 ( -1.845 -2.233 -3.440) 4.497 11.025 ( 0.367 2.389 0.703) 2.517 11.053 ( -0.522 1.588 -1.769) 2.434 11.460 ( 3.014 2.701 3.380) 5.273 11.548 ( -3.389 3.961 -4.721) 7.033 11.760 ( -0.715 4.885 2.524) 5.544 11.816 ( 0.659 2.662 -2.411) 3.652 12.376 ( 3.081 -0.339 2.752) 4.145 12.417 ( -1.795 -1.359 -0.972) 2.453 12.919 ( -0.352 1.744 0.385) 1.820 12.927 ( 0.353 1.799 -0.258) 1.852 13.562 ( 6.166 -0.497 3.740) 7.229 13.645 ( -6.937 -2.339 -4.168) 8.424 13.907 ( 4.705 -4.772 8.327) 10.689 14.067 ( -2.590 -8.029 -6.402) 10.591 14.416 ( -4.304 -3.245 3.733) 6.557 14.493 ( 3.689 -2.390 -3.511) 5.626 14.901 ( -4.377 -0.709 12.107) 12.894 15.208 ( 5.906 -3.568 -15.483) 16.951 15.764 ( -1.797 -10.189 8.198) 13.201 15.964 ( 0.084 -3.626 -11.075) 11.654 16.673 ( -0.476 3.189 2.839) 4.296 16.718 ( -0.140 0.881 -1.546) 1.785 16.761 ( 0.810 0.807 0.886) 1.447 16.789 ( -0.023 0.587 -2.238) 2.313 17.255 ( -0.251 3.688 22.163) 22.469 17.709 ( -0.589 -2.750 -19.025) 19.232 ======================= Grid point 100 (45/70) ======================= q-point: ( 0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 6.595 15.604 -1.569) 17.013 1.212 ( 10.748 12.883 11.729) 20.471 1.338 ( 10.468 15.154 -1.061) 18.448 1.497 ( 7.783 14.592 -11.151) 19.947 1.688 ( 7.654 12.255 1.929) 14.577 1.702 ( 8.347 12.738 -0.269) 15.231 1.869 ( 10.146 8.500 5.194) 14.218 1.961 ( 10.506 7.068 0.607) 12.676 2.050 ( 7.271 5.934 1.650) 9.529 2.239 ( 6.963 5.834 -8.197) 12.236 2.300 ( 6.234 19.115 6.077) 21.004 2.367 ( 4.492 14.170 -5.085) 15.710 2.535 ( 8.440 9.400 7.626) 14.756 2.564 ( 3.436 7.679 -0.961) 8.467 2.676 ( 0.512 15.173 -9.056) 17.677 2.716 ( 1.892 3.270 -0.433) 3.803 2.889 ( 2.057 -2.414 2.920) 4.311 3.035 ( 7.072 3.331 -1.245) 7.916 3.313 ( 4.736 -7.734 -0.017) 9.069 3.368 ( 6.147 -4.798 -0.793) 7.838 3.617 ( 3.989 -3.025 2.528) 5.608 3.670 ( 2.418 -2.575 -0.394) 3.554 3.890 ( -3.679 2.645 -1.549) 4.788 3.951 ( -1.576 -1.014 2.545) 3.161 4.080 ( -0.110 -1.406 -0.773) 1.609 4.216 ( 2.859 -5.137 -2.940) 6.573 4.383 ( -0.142 6.000 3.221) 6.811 4.494 ( -3.956 -0.476 3.292) 5.168 4.576 ( -5.003 1.383 -1.034) 5.293 4.666 ( -5.917 3.475 -5.056) 8.523 4.719 ( 0.291 0.073 -1.172) 1.210 4.768 ( -1.651 3.535 -0.345) 3.916 4.925 ( -1.801 1.729 2.819) 3.766 4.958 ( 5.065 -0.969 2.186) 5.601 5.036 ( -0.079 -0.013 5.640) 5.640 5.143 ( -2.639 5.613 -0.646) 6.236 5.155 ( 0.351 5.378 2.114) 5.789 5.218 ( 1.708 2.678 -4.303) 5.348 5.271 ( -2.793 0.109 -0.708) 2.883 5.365 ( 1.863 1.134 0.799) 2.323 5.409 ( 0.414 1.160 0.152) 1.241 5.473 ( 4.528 5.427 -3.405) 7.845 5.546 ( 4.129 -0.063 -0.557) 4.167 5.602 ( 3.292 -3.415 -6.456) 8.011 5.690 ( -4.314 3.236 1.714) 5.658 5.924 ( -2.381 -2.177 0.235) 3.234 5.941 ( -2.095 1.260 -2.132) 3.244 6.089 ( 2.575 2.425 5.509) 6.547 6.142 ( 0.793 -0.859 1.751) 2.105 6.186 ( 0.415 -1.900 -1.567) 2.498 6.399 ( -1.037 4.709 1.017) 4.928 6.492 ( -0.943 5.775 -0.811) 5.907 6.719 ( -4.188 4.791 -0.693) 6.401 6.805 ( -7.477 -0.978 -2.497) 7.944 6.846 ( 4.725 -1.373 4.762) 6.848 6.986 ( 1.818 1.688 1.986) 3.178 7.124 ( 1.556 -0.860 3.266) 3.719 7.211 ( -1.039 0.620 -8.259) 8.347 7.330 ( -3.782 -4.864 7.887) 10.008 7.497 ( 1.685 -3.426 -6.477) 7.518 7.753 ( -5.234 -1.321 2.545) 5.968 7.929 ( -0.368 -1.143 0.587) 1.337 8.135 ( 2.236 2.492 1.179) 3.550 8.155 ( 2.125 -0.752 1.558) 2.740 8.241 ( -0.777 -1.065 -4.396) 4.589 8.306 ( 2.536 -0.436 -0.455) 2.613 8.448 ( -2.672 -2.176 0.634) 3.504 8.562 ( -1.722 -0.775 3.244) 3.753 8.611 ( 1.676 -1.515 -0.272) 2.275 8.697 ( 1.732 1.258 -1.977) 2.914 8.802 ( -1.106 -2.674 1.041) 3.075 8.946 ( 0.355 -0.319 -0.086) 0.485 9.042 ( 3.522 -7.368 0.023) 8.167 9.114 ( 0.420 0.234 -4.670) 4.695 9.174 ( -2.159 -3.222 1.516) 4.164 9.264 ( 1.300 -3.070 2.171) 3.978 9.696 ( -4.814 0.644 -0.060) 4.857 9.914 ( 4.370 -2.455 0.936) 5.099 9.970 ( -0.796 0.429 1.375) 1.646 10.109 ( 3.552 0.784 -0.406) 3.660 10.317 ( -2.242 -1.515 -2.044) 3.391 10.345 ( 0.405 -3.554 1.443) 3.857 11.037 ( 0.523 2.124 0.004) 2.188 11.054 ( 0.901 1.901 -0.510) 2.165 11.478 ( -0.947 4.729 -3.154) 5.763 11.553 ( 4.431 3.369 3.177) 6.409 11.782 ( 2.436 4.667 2.362) 5.770 11.869 ( 4.994 4.119 -2.473) 6.930 12.351 ( -3.296 0.602 -2.408) 4.126 12.419 ( 0.029 -1.730 1.809) 2.503 12.918 ( 0.311 1.633 0.282) 1.686 12.944 ( 1.252 2.168 -0.200) 2.511 13.505 ( -4.718 1.258 -2.325) 5.409 13.740 ( 6.359 -2.297 3.196) 7.478 13.882 ( -2.637 -0.126 -0.620) 2.712 14.249 ( 13.654 -11.776 -0.260) 18.033 14.383 ( 0.329 -2.127 -0.459) 2.201 14.608 ( 8.508 -4.730 -1.546) 9.856 14.804 ( -6.069 -1.750 10.237) 12.029 15.313 ( 6.551 -4.540 -12.010) 14.414 15.689 ( -5.939 -9.040 5.936) 12.338 15.917 ( -3.303 -4.912 -6.798) 9.014 16.612 ( -5.125 3.832 2.787) 6.980 16.714 ( -0.957 -0.252 0.305) 1.035 16.751 ( -0.898 -0.273 -0.719) 1.182 16.815 ( 1.981 0.230 -1.596) 2.554 17.118 ( -15.937 4.888 12.555) 20.869 17.570 ( -8.767 -2.459 -9.508) 13.165 ======================= Grid point 101 (46/70) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 12.292 11.777 -1.605) 17.099 1.458 ( 11.039 8.621 6.064) 15.262 1.584 ( 12.949 12.941 -0.073) 18.307 1.607 ( 6.500 11.738 -9.143) 16.236 1.892 ( 10.009 7.745 3.566) 13.149 1.927 ( 14.221 9.657 2.053) 17.312 2.120 ( 11.541 4.933 3.032) 12.912 2.168 ( 7.873 4.115 -1.777) 9.060 2.275 ( 11.834 7.919 -1.484) 14.317 2.366 ( 10.279 4.084 -4.106) 11.798 2.466 ( 8.353 13.154 4.356) 16.179 2.479 ( 7.867 10.544 -2.242) 13.345 2.619 ( 3.172 7.590 -1.416) 8.347 2.706 ( 6.057 6.903 -1.687) 9.338 2.735 ( 4.490 4.273 0.993) 6.278 2.834 ( 10.252 7.295 -2.673) 12.864 2.949 ( 3.321 -5.222 2.713) 6.758 3.250 ( 12.182 5.465 1.523) 13.439 3.410 ( 3.815 -4.781 1.243) 6.241 3.531 ( 10.299 -1.808 -0.743) 10.482 3.686 ( 0.842 1.018 -0.346) 1.365 3.715 ( 0.233 0.945 1.753) 2.005 3.825 ( 0.948 -2.715 -2.035) 3.523 3.931 ( -0.684 -3.573 4.477) 5.769 4.080 ( -0.285 -0.925 -0.021) 0.968 4.234 ( 0.442 -2.586 -0.597) 2.690 4.363 ( -6.271 3.144 -2.676) 7.508 4.446 ( -0.789 6.860 0.572) 6.929 4.460 ( -1.649 2.381 -2.473) 3.808 4.606 ( 0.550 -0.941 -2.663) 2.878 4.669 ( -4.121 0.913 -0.662) 4.272 4.763 ( 0.721 -0.144 0.116) 0.744 4.866 ( -3.253 3.067 3.628) 5.757 5.007 ( -0.447 -2.434 -1.405) 2.845 5.057 ( -1.791 0.684 1.188) 2.255 5.114 ( 1.972 -2.155 6.843) 7.441 5.151 ( 0.172 5.064 -0.811) 5.131 5.254 ( 2.069 2.175 0.262) 3.013 5.259 ( 0.636 -0.180 0.615) 0.903 5.431 ( 1.670 -1.349 0.611) 2.232 5.453 ( 4.718 -3.227 -1.287) 5.859 5.559 ( -2.008 -0.352 -5.149) 5.538 5.570 ( 4.542 1.457 -1.260) 4.933 5.624 ( 2.610 5.080 2.133) 6.096 5.700 ( 3.520 -4.150 -4.940) 7.350 5.842 ( -3.315 -0.746 -0.997) 3.541 5.919 ( -1.536 -2.234 -1.637) 3.167 6.107 ( -0.217 1.804 1.532) 2.377 6.146 ( -0.652 -0.840 1.325) 1.699 6.187 ( -2.078 -0.782 2.177) 3.110 6.371 ( -2.476 3.233 1.295) 4.273 6.462 ( -2.209 4.131 3.631) 5.927 6.638 ( -5.203 -0.043 -0.408) 5.219 6.693 ( -0.472 7.923 -1.657) 8.108 6.907 ( -0.029 -5.200 0.071) 5.201 6.979 ( -2.397 5.062 -5.849) 8.098 7.073 ( -4.417 2.231 -0.917) 5.032 7.230 ( -2.840 -2.776 7.297) 8.308 7.276 ( 2.373 -4.211 3.774) 6.133 7.522 ( 0.757 -0.360 -2.564) 2.697 7.664 ( -3.560 0.902 -0.688) 3.736 7.922 ( 0.087 0.407 -2.098) 2.139 8.123 ( -1.840 1.445 -0.124) 2.343 8.216 ( 2.801 2.037 2.151) 4.077 8.283 ( 4.898 -1.224 -2.534) 5.649 8.348 ( 1.972 1.566 -1.056) 2.731 8.441 ( -1.875 -3.785 1.545) 4.497 8.536 ( 1.351 1.006 1.706) 2.398 8.632 ( 0.908 -0.910 0.846) 1.539 8.712 ( 0.716 2.559 -0.948) 2.821 8.822 ( 2.438 1.371 0.299) 2.813 8.928 ( -1.157 0.626 -0.938) 1.616 9.066 ( -2.049 -1.876 -2.183) 3.533 9.122 ( 0.156 -3.770 2.096) 4.316 9.178 ( 2.774 -5.515 -2.102) 6.522 9.281 ( -0.044 -2.381 1.644) 2.894 9.618 ( -2.651 0.344 -0.088) 2.675 9.889 ( -3.290 -0.538 -0.503) 3.371 10.059 ( 5.541 -2.012 1.373) 6.053 10.168 ( 2.464 1.401 -1.321) 3.127 10.270 ( -1.791 -2.362 -0.962) 3.117 10.356 ( 0.089 -4.774 2.179) 5.248 11.045 ( 0.353 1.675 -0.658) 1.834 11.071 ( 0.476 1.347 0.551) 1.531 11.493 ( 3.194 5.496 -3.423) 7.219 11.675 ( 6.576 3.478 5.534) 9.271 11.858 ( 4.656 5.924 1.090) 7.614 11.998 ( 8.108 6.302 -2.864) 10.661 12.294 ( -1.510 3.024 -2.075) 3.967 12.409 ( -0.678 -0.374 1.050) 1.305 12.932 ( 0.950 1.873 0.154) 2.105 12.972 ( 1.373 2.522 -0.097) 2.873 13.420 ( -4.056 3.965 0.524) 5.696 13.760 ( -2.894 2.749 -4.863) 6.292 13.860 ( -1.441 2.972 4.172) 5.321 14.306 ( -8.213 2.838 -4.782) 9.919 14.514 ( 11.341 -11.500 1.739) 16.245 14.719 ( 2.272 -3.340 5.399) 6.743 14.875 ( 11.862 -11.243 1.787) 16.441 15.370 ( -1.141 1.012 -1.265) 1.982 15.610 ( -1.357 -9.019 -7.280) 11.670 15.806 ( -5.964 -10.266 0.594) 11.887 16.489 ( -8.827 3.013 7.414) 11.915 16.649 ( -8.326 5.148 -1.744) 9.943 16.728 ( -1.314 -1.501 -0.788) 2.145 16.802 ( -10.740 -1.643 0.513) 10.877 16.850 ( 2.024 -1.275 -1.660) 2.911 17.367 ( -9.867 -6.381 -0.088) 11.751 ======================= Grid point 102 (47/70) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 12.566 9.196 -0.916) 15.598 1.657 ( 9.593 6.831 -5.041) 12.810 1.762 ( 9.099 8.087 4.639) 13.027 1.815 ( 9.038 12.410 1.349) 15.411 2.064 ( 5.133 7.963 1.641) 9.615 2.195 ( 5.012 4.743 0.910) 6.960 2.255 ( 9.524 4.520 -3.446) 11.091 2.295 ( 6.000 1.492 2.173) 6.554 2.471 ( 7.615 4.171 -3.195) 9.251 2.570 ( 5.715 3.719 -0.760) 6.861 2.606 ( 7.166 4.158 4.095) 9.241 2.681 ( 8.673 5.180 3.223) 10.604 2.716 ( 5.789 7.243 -1.659) 9.419 2.787 ( 3.728 1.592 -5.140) 6.546 2.842 ( 6.145 2.904 -1.553) 6.972 3.005 ( 6.701 -0.450 2.392) 7.129 3.070 ( 8.356 1.768 -0.512) 8.557 3.363 ( 0.003 0.531 -4.341) 4.373 3.503 ( 3.761 1.211 2.196) 4.521 3.635 ( -4.069 3.927 -0.532) 5.680 3.685 ( -0.856 -2.905 1.443) 3.354 3.736 ( 5.138 4.109 2.786) 7.144 3.926 ( -1.822 0.733 4.111) 4.556 3.938 ( 7.975 -3.900 -0.330) 8.883 4.057 ( 0.024 -3.775 2.541) 4.551 4.245 ( 0.415 1.019 -2.377) 2.620 4.278 ( -0.842 2.428 1.164) 2.821 4.430 ( -0.136 2.785 -8.019) 8.490 4.487 ( 5.468 3.911 -0.626) 6.752 4.572 ( -2.943 1.543 -4.479) 5.577 4.641 ( -0.065 -3.556 0.923) 3.675 4.754 ( -1.695 2.757 7.424) 8.098 4.860 ( 1.863 -1.956 -1.260) 2.980 4.981 ( -3.216 -1.710 1.553) 3.960 5.021 ( 0.615 -4.551 -0.213) 4.597 5.146 ( 1.244 2.569 -1.318) 3.144 5.187 ( 1.649 -2.683 1.557) 3.513 5.257 ( -1.112 -0.934 -0.555) 1.555 5.317 ( 3.469 0.019 6.676) 7.523 5.464 ( 0.924 -3.436 1.287) 3.784 5.488 ( -0.822 -2.850 -4.669) 5.532 5.541 ( 2.039 -4.848 -1.139) 5.382 5.637 ( 3.122 1.571 1.967) 4.011 5.719 ( 1.672 -0.720 -1.589) 2.416 5.736 ( 2.591 -1.192 -4.736) 5.529 5.806 ( 1.041 -0.163 -0.481) 1.158 5.875 ( -2.357 -2.045 -2.082) 3.751 6.083 ( -6.008 -0.282 -0.059) 6.015 6.117 ( 0.497 2.772 -1.449) 3.167 6.150 ( -0.023 0.576 2.878) 2.936 6.318 ( -2.237 3.194 0.008) 3.900 6.389 ( -6.661 -0.482 1.853) 6.931 6.571 ( -0.550 -0.806 0.165) 0.990 6.692 ( -2.398 7.512 0.639) 7.911 6.871 ( -2.289 -2.897 -1.478) 3.977 6.936 ( 0.312 6.599 -1.774) 6.841 6.980 ( -2.910 2.817 -1.352) 4.270 7.168 ( -3.435 -1.984 8.526) 9.404 7.360 ( 2.839 -1.379 0.328) 3.173 7.490 ( -3.016 1.752 -6.071) 7.002 7.643 ( 1.056 3.894 5.135) 6.531 7.907 ( -1.142 3.408 -3.350) 4.913 8.106 ( 0.170 2.937 1.805) 3.451 8.268 ( 1.159 0.668 2.039) 2.438 8.318 ( -2.820 -1.646 0.550) 3.311 8.369 ( 1.745 1.971 -5.947) 6.503 8.443 ( 4.564 0.225 -0.453) 4.592 8.603 ( 3.190 1.379 -0.730) 3.551 8.666 ( 1.581 0.042 3.910) 4.218 8.735 ( 1.553 -0.092 0.758) 1.731 8.879 ( 2.543 2.961 0.193) 3.908 8.901 ( -1.073 -0.571 -1.881) 2.240 9.032 ( 0.087 -0.338 -2.362) 2.388 9.105 ( -1.617 -4.159 3.252) 5.522 9.202 ( -1.034 -1.887 -0.724) 2.270 9.273 ( -0.803 -2.133 0.773) 2.407 9.603 ( 1.305 -2.174 -0.605) 2.607 9.815 ( -3.789 -2.185 -1.331) 4.572 10.155 ( 3.616 0.341 1.102) 3.796 10.200 ( 0.870 2.483 -0.850) 2.765 10.248 ( -0.154 -3.779 0.190) 3.787 10.355 ( -0.511 -5.729 0.755) 5.801 11.048 ( 0.029 0.928 -0.376) 1.002 11.072 ( -0.462 0.714 0.392) 0.937 11.580 ( 5.413 4.634 -1.169) 7.221 11.798 ( 3.379 0.041 3.832) 5.109 11.979 ( 7.897 9.937 -0.095) 12.694 12.158 ( 7.688 8.808 -3.745) 12.276 12.300 ( 2.528 6.394 0.485) 6.892 12.409 ( 0.500 2.570 0.394) 2.648 12.950 ( 0.606 2.556 -0.103) 2.629 12.989 ( 0.141 2.990 0.163) 2.997 13.346 ( -3.275 5.052 3.341) 6.885 13.667 ( -4.585 5.405 -8.075) 10.744 13.806 ( -4.318 4.800 4.962) 8.143 14.065 ( -12.888 4.851 -2.767) 14.046 14.713 ( 7.193 -9.741 5.230) 13.191 14.821 ( 6.601 -4.649 0.731) 8.107 15.106 ( 9.721 -7.619 -0.062) 12.351 15.299 ( -3.495 2.089 2.825) 4.956 15.507 ( -7.094 -2.187 -14.226) 16.047 15.745 ( -3.365 -13.193 6.686) 15.168 16.274 ( -10.898 -0.550 5.774) 12.345 16.441 ( -8.100 1.101 -4.422) 9.294 16.702 ( -0.929 -3.443 -0.133) 3.569 16.727 ( -1.149 -4.439 0.193) 4.590 16.896 ( 2.914 -3.420 -1.080) 4.621 17.196 ( -7.188 -9.569 1.059) 12.015 ======================= Grid point 103 (48/70) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 7.563 9.518 -0.747) 12.180 1.822 ( 4.384 5.225 -0.123) 6.821 1.934 ( 5.698 7.822 3.896) 10.432 1.951 ( 5.349 8.720 4.638) 11.232 2.062 ( -3.871 7.219 -1.019) 8.255 2.178 ( -1.547 6.170 -6.994) 9.454 2.429 ( 6.383 1.834 3.311) 7.421 2.475 ( 7.806 0.471 1.787) 8.022 2.545 ( 0.769 -0.661 -2.446) 2.648 2.597 ( -0.606 2.412 -0.868) 2.634 2.711 ( -1.725 3.925 -4.326) 6.090 2.752 ( 3.542 1.270 4.254) 5.679 2.775 ( -1.141 -0.865 -4.773) 4.983 2.862 ( 3.142 2.151 0.492) 3.840 3.005 ( 8.676 6.971 2.764) 11.467 3.087 ( 0.769 -3.882 3.409) 5.223 3.251 ( 8.649 -0.999 -4.488) 9.796 3.332 ( -2.666 2.251 -2.397) 4.233 3.511 ( -1.159 9.070 0.565) 9.161 3.551 ( -3.892 5.029 -1.307) 6.492 3.669 ( -0.130 -2.781 4.754) 5.509 3.758 ( -1.659 -0.903 1.072) 2.172 3.885 ( -1.497 1.708 1.852) 2.931 4.025 ( 0.915 -2.283 -3.057) 3.924 4.148 ( 3.735 -4.926 2.816) 6.793 4.238 ( 1.026 -0.758 -3.700) 3.914 4.284 ( -0.160 2.576 4.285) 5.002 4.410 ( -0.564 4.546 -5.143) 6.888 4.547 ( 1.533 -2.108 -1.282) 2.905 4.625 ( -1.060 -0.911 0.377) 1.447 4.659 ( 8.559 2.612 -1.935) 9.156 4.725 ( -3.061 1.615 5.789) 6.745 4.882 ( 1.412 -5.041 -1.752) 5.520 4.919 ( -2.897 -3.130 1.590) 4.552 5.073 ( 4.399 -2.058 0.042) 4.857 5.175 ( -0.371 1.100 -0.579) 1.297 5.197 ( 0.031 -5.896 -2.598) 6.443 5.230 ( -0.407 -1.637 0.026) 1.687 5.374 ( -0.363 0.906 6.355) 6.429 5.471 ( -0.285 -4.945 0.489) 4.978 5.475 ( 0.375 -1.202 1.985) 2.351 5.568 ( 0.510 -10.972 -2.480) 11.260 5.679 ( -2.823 0.034 2.677) 3.891 5.704 ( 3.190 -2.085 -2.344) 4.474 5.779 ( 0.231 -1.425 -0.030) 1.444 5.850 ( 2.856 -1.026 1.047) 3.210 5.854 ( 0.875 2.158 -2.604) 3.493 5.980 ( -3.411 0.061 -1.725) 3.823 6.088 ( -1.065 3.335 -6.065) 7.003 6.185 ( -5.021 -1.505 -1.103) 5.357 6.218 ( 0.446 4.827 0.041) 4.848 6.329 ( 0.256 0.708 3.584) 3.663 6.571 ( -1.455 0.504 -0.810) 1.740 6.601 ( -3.848 3.602 -3.560) 6.361 6.847 ( 0.224 0.570 1.046) 1.212 6.906 ( -1.487 4.788 -0.852) 5.086 7.048 ( 5.944 5.467 6.357) 10.278 7.144 ( -0.299 1.185 10.085) 10.159 7.340 ( -3.731 0.412 -5.786) 6.897 7.423 ( -2.085 1.258 -7.433) 7.822 7.698 ( 2.637 5.296 6.924) 9.107 7.871 ( -1.496 5.633 -3.983) 7.059 8.133 ( 1.554 3.154 4.378) 5.615 8.228 ( -2.332 -0.875 2.151) 3.291 8.325 ( 1.294 1.134 -2.065) 2.688 8.364 ( -0.821 2.434 -6.207) 6.718 8.548 ( 4.768 1.971 0.939) 5.244 8.649 ( 1.011 2.140 -2.213) 3.240 8.683 ( 0.090 -1.243 2.803) 3.067 8.740 ( -1.781 -2.049 -0.002) 2.714 8.874 ( 0.206 -0.732 -0.413) 0.865 8.920 ( 0.062 0.322 -1.968) 1.995 9.070 ( 2.993 0.080 0.053) 2.995 9.095 ( -0.210 -1.166 3.538) 3.731 9.161 ( -1.256 -0.110 1.425) 1.902 9.247 ( -1.892 -2.422 -0.561) 3.124 9.653 ( 3.391 -3.069 -0.943) 4.669 9.736 ( -3.884 -3.418 -1.433) 5.368 10.198 ( 0.434 1.934 0.248) 1.997 10.204 ( 0.166 3.070 -0.300) 3.089 10.267 ( 1.639 -5.001 1.522) 5.478 10.339 ( -1.117 -5.751 -0.806) 5.914 11.049 ( 0.217 0.384 0.028) 0.442 11.060 ( -0.586 0.369 0.051) 0.695 11.681 ( 4.242 2.610 1.942) 5.346 11.812 ( -1.731 -1.314 -0.781) 2.310 12.146 ( 7.032 11.690 0.241) 13.644 12.253 ( 1.416 11.700 -3.410) 12.269 12.369 ( 2.871 8.659 1.788) 9.296 12.419 ( 0.337 5.569 -0.107) 5.580 12.957 ( 0.535 3.442 -0.206) 3.489 12.977 ( -1.201 3.253 0.321) 3.483 13.322 ( 0.250 4.889 5.797) 7.587 13.561 ( -4.036 5.164 -9.146) 11.252 13.744 ( -1.670 4.780 4.103) 6.517 13.852 ( -6.589 5.511 -1.828) 8.783 14.820 ( 2.550 -7.159 7.476) 10.660 14.949 ( 5.258 -5.884 -2.774) 8.365 15.164 ( -1.428 3.681 2.577) 4.715 15.325 ( -3.542 4.944 -7.657) 9.778 15.415 ( 9.757 -12.421 -5.019) 16.573 15.580 ( -13.272 -5.122 6.233) 15.532 16.194 ( 0.245 -7.632 3.455) 8.381 16.305 ( -4.310 -4.612 -3.047) 7.010 16.692 ( -0.123 -4.119 0.371) 4.137 16.711 ( -0.533 -4.458 -0.467) 4.514 16.964 ( 3.890 -6.084 0.417) 7.233 17.078 ( -4.918 -9.744 -0.188) 10.917 ======================= Grid point 104 (49/70) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -9.965 8.544 -0.647) 13.142 1.806 ( -4.876 8.111 1.842) 9.641 1.911 ( -4.459 8.272 2.566) 9.742 1.987 ( -3.445 6.043 3.600) 7.832 2.091 ( 4.056 7.556 -1.463) 8.700 2.166 ( 1.492 6.916 -6.110) 9.348 2.474 ( -5.027 0.726 -0.344) 5.090 2.500 ( -5.240 -0.298 -0.271) 5.256 2.559 ( 1.106 2.005 1.824) 2.928 2.565 ( -0.755 1.276 -3.433) 3.740 2.678 ( -4.031 -1.376 -0.980) 4.370 2.689 ( -0.978 1.564 0.741) 1.988 2.784 ( -1.750 2.699 3.727) 4.923 2.860 ( -3.748 0.886 -1.223) 4.041 3.028 ( -6.397 4.788 0.157) 7.992 3.106 ( -2.670 0.441 3.730) 4.608 3.200 ( -6.749 3.970 -4.189) 8.881 3.377 ( 3.794 -1.548 -2.673) 4.892 3.514 ( -0.099 7.447 -1.178) 7.540 3.534 ( 3.242 6.139 -0.505) 6.960 3.704 ( 1.251 -2.949 4.718) 5.703 3.750 ( 3.057 -2.999 0.229) 4.288 3.868 ( -1.714 1.035 5.278) 5.645 4.019 ( 0.334 -0.104 -6.124) 6.134 4.151 ( -1.758 -2.187 3.427) 4.430 4.215 ( -4.329 -4.284 -0.856) 6.151 4.306 ( 1.149 3.676 1.707) 4.213 4.400 ( 0.817 4.400 -5.129) 6.807 4.536 ( -4.605 -3.615 1.415) 6.023 4.589 ( -3.948 2.919 0.580) 4.944 4.677 ( 0.899 2.158 0.834) 2.482 4.762 ( 0.708 -2.728 -0.551) 2.871 4.876 ( 0.993 -2.802 0.711) 3.057 4.973 ( 5.070 -2.483 -2.311) 6.100 5.087 ( -4.492 -4.028 -1.138) 6.140 5.150 ( 0.425 1.197 -0.844) 1.525 5.185 ( -1.835 -1.190 -1.603) 2.711 5.249 ( 2.071 -1.929 -1.399) 3.157 5.362 ( 0.390 -1.385 6.270) 6.433 5.458 ( -2.449 -6.727 6.589) 9.730 5.507 ( 1.748 -2.182 3.115) 4.186 5.548 ( -1.766 -8.074 -2.782) 8.721 5.608 ( -2.143 -2.356 -3.174) 4.496 5.766 ( 0.794 -0.573 -0.166) 0.993 5.791 ( 0.172 0.570 0.618) 0.858 5.832 ( -2.134 0.476 -2.311) 3.182 5.889 ( -1.256 -1.009 -0.814) 1.805 5.946 ( 2.485 -0.146 -1.312) 2.814 6.067 ( -2.261 1.222 -3.362) 4.232 6.125 ( 5.311 1.983 -1.680) 5.913 6.260 ( -0.740 2.206 3.201) 3.957 6.368 ( 4.417 2.303 -0.698) 5.030 6.501 ( -2.257 0.850 1.766) 2.989 6.603 ( 2.686 1.501 -2.699) 4.093 6.856 ( -0.503 4.138 1.507) 4.432 6.883 ( -0.635 4.328 -0.079) 4.375 7.175 ( 5.412 3.618 7.665) 10.056 7.193 ( -0.403 3.766 3.088) 4.887 7.255 ( -1.014 -0.259 -1.140) 1.548 7.370 ( -0.592 0.508 -8.462) 8.498 7.757 ( 1.723 5.745 6.084) 8.544 7.836 ( -1.069 4.611 -5.108) 6.964 8.158 ( -0.226 0.333 4.652) 4.669 8.232 ( 1.631 2.991 0.548) 3.450 8.306 ( -1.617 1.341 -1.922) 2.847 8.355 ( 0.904 0.090 -4.798) 4.884 8.575 ( -4.094 3.595 -0.277) 5.456 8.616 ( -2.202 0.714 -0.908) 2.487 8.706 ( 0.392 -1.267 3.032) 3.309 8.712 ( 0.743 -0.664 0.152) 1.008 8.892 ( -0.016 -1.049 -0.832) 1.339 8.903 ( 0.409 -0.881 -1.748) 2.000 9.041 ( -3.449 0.245 2.330) 4.169 9.147 ( 3.510 0.807 -0.775) 3.684 9.183 ( -0.649 -1.716 1.921) 2.656 9.221 ( 1.565 -2.464 -0.137) 2.923 9.652 ( -3.648 -3.190 -0.896) 4.928 9.726 ( 3.558 -2.811 -0.913) 4.625 10.196 ( -0.594 2.267 0.461) 2.388 10.202 ( -0.328 1.775 -0.203) 1.816 10.302 ( 0.093 -4.533 0.915) 4.625 10.309 ( -0.287 -5.458 -0.543) 5.492 11.051 ( -0.259 0.445 -0.133) 0.532 11.059 ( 0.704 0.274 0.157) 0.772 11.733 ( -4.355 0.919 -1.263) 4.627 11.757 ( 1.459 1.012 2.493) 3.061 12.158 ( -6.845 11.656 -0.083) 13.517 12.229 ( -2.088 11.538 -1.922) 11.882 12.368 ( -2.427 6.481 1.147) 7.015 12.438 ( 0.504 7.340 -0.898) 7.412 12.957 ( -0.527 3.198 -0.170) 3.245 12.978 ( 1.155 3.315 0.232) 3.518 13.373 ( 3.249 5.019 7.666) 9.722 13.485 ( -1.134 4.262 -8.581) 9.648 13.791 ( 3.933 5.251 2.014) 6.863 13.822 ( 5.502 5.754 -1.750) 8.151 14.842 ( -1.713 -3.582 6.403) 7.534 14.973 ( -2.695 -10.149 -3.505) 11.070 15.174 ( 1.258 0.361 0.973) 1.631 15.288 ( 1.920 2.912 -7.445) 8.222 15.325 ( -9.877 -3.268 4.427) 11.306 15.666 ( 13.419 -8.095 -0.980) 15.702 16.159 ( -3.447 -7.309 4.274) 9.142 16.328 ( 5.889 -4.630 -3.065) 8.093 16.699 ( 0.638 -4.525 0.414) 4.588 16.705 ( 0.137 -3.904 -0.534) 3.942 16.988 ( -3.682 -7.811 -1.260) 8.727 17.056 ( 4.932 -8.457 1.352) 9.883 ======================= Grid point 105 (50/70) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -13.212 11.864 1.200) 17.797 1.587 ( -14.147 8.107 1.142) 16.345 1.834 ( -5.777 9.223 0.721) 10.907 1.868 ( -7.487 7.819 -4.085) 11.571 2.101 ( -3.541 9.252 0.671) 9.930 2.129 ( -5.627 6.844 1.237) 8.946 2.295 ( -12.975 1.893 -1.915) 13.252 2.345 ( -7.940 0.086 -0.893) 7.991 2.474 ( -6.632 2.893 -4.740) 8.650 2.546 ( -5.178 3.321 1.441) 6.318 2.603 ( -2.088 1.874 3.798) 4.722 2.666 ( -5.688 3.129 -1.278) 6.617 2.674 ( -10.840 3.469 0.982) 11.424 2.775 ( -0.845 4.459 5.292) 6.971 2.824 ( -11.999 10.030 -3.688) 16.068 2.980 ( -7.005 2.689 2.408) 7.881 3.110 ( -3.599 0.684 -2.825) 4.627 3.359 ( -4.267 3.067 -4.599) 6.983 3.484 ( -3.088 -2.591 3.768) 5.517 3.624 ( 3.632 4.647 -0.836) 5.957 3.723 ( -1.461 -3.550 -0.504) 3.871 3.812 ( 0.564 0.055 -1.712) 1.803 3.839 ( -1.904 -1.713 7.225) 7.666 4.026 ( 1.688 -1.068 -3.078) 3.669 4.100 ( -4.478 -1.402 1.997) 5.100 4.159 ( 1.449 -2.169 0.516) 2.659 4.298 ( -3.514 1.243 1.549) 4.036 4.368 ( -2.082 6.051 -5.084) 8.173 4.477 ( -3.126 0.885 0.243) 3.258 4.508 ( 2.032 7.369 1.246) 7.745 4.708 ( 0.894 -0.823 -4.001) 4.182 4.748 ( -0.758 -3.564 3.382) 4.971 4.930 ( 2.604 2.250 -0.634) 3.499 4.991 ( -3.345 -2.157 0.405) 4.001 5.033 ( 0.823 -1.639 -2.871) 3.407 5.139 ( -0.249 1.082 -1.283) 1.697 5.163 ( 0.270 -1.996 2.085) 2.899 5.276 ( 0.468 -0.265 1.609) 1.696 5.359 ( -4.046 -6.727 0.231) 7.854 5.444 ( 1.261 -4.409 6.902) 8.286 5.475 ( -3.925 -2.781 -1.098) 4.935 5.541 ( 0.626 1.692 -4.643) 4.981 5.631 ( 3.129 -6.515 0.683) 7.259 5.687 ( -5.778 1.526 0.095) 5.977 5.767 ( -4.168 2.871 -6.005) 7.853 5.776 ( -1.435 0.549 1.252) 1.982 5.870 ( 1.362 -2.406 -2.501) 3.728 6.057 ( 5.106 -2.761 1.668) 6.039 6.082 ( 3.328 2.098 1.585) 4.242 6.158 ( -1.270 1.733 2.404) 3.225 6.310 ( 5.018 1.570 -0.503) 5.282 6.456 ( 3.615 3.752 -3.473) 6.261 6.525 ( 4.044 -2.290 7.480) 8.806 6.675 ( 4.013 -0.183 -2.810) 4.902 6.845 ( -0.540 6.946 0.562) 6.989 6.883 ( 1.545 2.654 3.906) 4.969 7.064 ( -7.855 6.655 -8.643) 13.443 7.301 ( 2.013 -4.432 3.437) 5.958 7.309 ( 5.287 2.401 9.640) 11.254 7.390 ( 3.449 -0.929 -7.383) 8.201 7.779 ( -0.920 3.437 -3.373) 4.903 7.813 ( 0.067 3.982 2.040) 4.474 8.152 ( -0.719 1.667 -0.426) 1.865 8.230 ( -1.292 0.991 2.668) 3.126 8.307 ( -0.107 1.048 -0.400) 1.127 8.382 ( 3.673 -3.177 -3.499) 5.986 8.454 ( -6.288 3.239 -1.795) 7.298 8.564 ( -2.551 0.204 1.932) 3.207 8.701 ( -1.293 0.861 3.911) 4.208 8.727 ( -0.510 0.227 -1.000) 1.145 8.862 ( -3.814 1.090 0.283) 3.977 8.906 ( 1.075 0.809 -1.466) 1.990 9.016 ( 0.728 -2.208 -0.269) 2.340 9.160 ( -0.254 -3.816 -0.748) 3.897 9.192 ( 0.258 -1.213 -0.570) 1.365 9.267 ( 1.819 -1.795 1.368) 2.898 9.600 ( -0.966 -1.501 -0.408) 1.831 9.793 ( 3.185 -1.981 -0.013) 3.751 10.163 ( -2.970 -0.347 0.725) 3.077 10.192 ( -1.194 1.822 -0.218) 2.190 10.271 ( -0.811 -4.406 -1.870) 4.855 10.342 ( 1.710 -3.924 1.988) 4.720 11.046 ( -0.257 0.966 -0.241) 1.028 11.075 ( 0.774 0.489 0.125) 0.924 11.596 ( -7.545 3.866 -2.463) 8.829 11.792 ( 0.248 0.883 4.737) 4.825 11.986 ( -9.081 10.487 -0.579) 13.885 12.120 ( -7.257 9.295 -1.329) 11.867 12.320 ( -2.258 4.255 -1.026) 4.925 12.417 ( -1.558 3.672 -0.016) 3.989 12.949 ( -0.512 2.548 -0.099) 2.601 12.987 ( -0.368 2.801 0.278) 2.839 13.449 ( 2.610 4.166 -0.321) 4.926 13.513 ( 4.935 4.805 0.232) 6.892 13.858 ( 3.085 6.377 0.395) 7.095 14.040 ( 13.497 3.994 -1.296) 14.135 14.791 ( -4.700 -2.415 2.821) 5.990 14.828 ( -9.893 -11.598 -1.764) 15.346 15.127 ( -7.134 -12.141 -2.631) 14.326 15.206 ( 0.157 3.038 8.589) 9.111 15.428 ( 8.754 2.360 -6.096) 10.925 15.856 ( 3.851 -15.683 -3.273) 16.477 16.212 ( 10.251 3.141 8.226) 13.514 16.464 ( 7.878 0.273 -3.845) 8.770 16.708 ( 0.609 -3.215 -0.548) 3.318 16.726 ( 1.661 -4.199 0.345) 4.529 16.921 ( -2.413 -5.412 -2.781) 6.546 17.184 ( 7.833 -8.971 1.980) 12.072 ======================= Grid point 106 (51/70) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -13.460 13.453 1.719) 19.108 1.327 ( -10.848 12.775 6.351) 17.922 1.628 ( -12.559 13.191 -3.221) 18.496 1.724 ( -7.757 6.515 -8.144) 12.997 1.933 ( -11.015 8.045 0.338) 13.644 1.988 ( -12.343 9.716 -0.832) 15.730 2.032 ( -9.249 8.988 4.586) 13.688 2.124 ( -13.156 6.846 3.720) 15.291 2.279 ( -13.217 3.496 -2.778) 13.951 2.367 ( -13.092 4.846 -2.285) 14.146 2.428 ( -8.337 10.958 1.840) 13.891 2.534 ( -8.181 11.580 -1.080) 14.219 2.578 ( -0.962 7.207 2.396) 7.655 2.651 ( -4.557 2.833 0.402) 5.381 2.729 ( -5.112 4.161 -0.797) 6.639 2.848 ( -6.079 6.798 -1.275) 9.208 3.034 ( -3.598 -2.514 -2.160) 4.892 3.247 ( -6.747 5.419 0.982) 8.709 3.394 ( -6.237 -4.211 1.895) 7.760 3.585 ( -7.288 -1.095 -4.221) 8.493 3.644 ( -3.037 -0.032 2.197) 3.748 3.752 ( -5.092 -3.840 -0.621) 6.407 3.827 ( -0.866 -0.936 -0.037) 1.276 4.038 ( -1.811 -0.491 -0.295) 1.899 4.061 ( 0.408 -2.469 -2.052) 3.236 4.194 ( 0.874 -3.202 1.816) 3.784 4.270 ( 4.392 4.726 3.688) 7.431 4.404 ( 4.745 3.255 -0.684) 5.795 4.482 ( 3.568 4.292 -1.359) 5.744 4.557 ( 0.789 6.214 0.943) 6.335 4.702 ( 0.337 -2.356 -0.462) 2.424 4.761 ( 0.972 -0.071 -1.609) 1.881 4.933 ( -1.490 3.019 -0.497) 3.403 4.966 ( 0.495 2.291 2.192) 3.209 5.044 ( 0.559 0.186 1.337) 1.461 5.147 ( 1.171 0.003 -1.343) 1.782 5.209 ( 2.981 0.672 3.496) 4.643 5.261 ( -2.909 1.034 2.114) 3.742 5.287 ( -1.180 -5.377 -4.998) 7.435 5.379 ( -4.082 -0.660 1.203) 4.306 5.450 ( -2.942 -2.356 0.498) 3.802 5.540 ( 0.407 3.328 -2.796) 4.365 5.572 ( -5.257 1.037 -1.731) 5.631 5.634 ( -2.979 -0.580 0.576) 3.089 5.714 ( 0.631 2.003 -5.493) 5.881 5.801 ( 3.305 -0.434 2.050) 3.913 5.895 ( 1.020 -3.111 -0.898) 3.395 6.084 ( -0.473 0.131 2.417) 2.466 6.163 ( 3.433 0.756 0.629) 3.571 6.196 ( 2.253 -1.313 2.576) 3.666 6.383 ( 2.158 2.413 0.312) 3.252 6.528 ( 4.182 2.301 -1.730) 5.077 6.618 ( 3.663 -5.942 0.658) 7.011 6.716 ( 1.012 5.826 0.798) 5.966 6.856 ( 1.279 5.114 3.456) 6.303 6.896 ( -5.695 6.817 -3.989) 9.738 6.992 ( 6.414 1.243 4.434) 7.896 7.300 ( -2.254 -4.413 1.372) 5.142 7.397 ( 0.464 -1.048 3.305) 3.498 7.477 ( 7.147 -4.007 -5.685) 9.973 7.722 ( -2.481 1.400 -5.680) 6.354 7.835 ( 0.544 2.390 5.286) 5.826 8.138 ( -0.202 2.433 -1.337) 2.783 8.201 ( -2.679 -1.565 2.948) 4.280 8.283 ( -1.110 0.749 -3.014) 3.298 8.350 ( -3.382 1.522 -0.553) 3.750 8.471 ( 4.196 -4.339 0.260) 6.041 8.537 ( -0.291 0.840 0.976) 1.320 8.665 ( -4.197 -0.692 -1.571) 4.535 8.688 ( -0.977 1.549 1.744) 2.529 8.788 ( -2.551 2.703 1.166) 3.895 8.944 ( 2.729 1.078 -1.302) 3.210 9.040 ( 1.105 -2.803 -0.322) 3.030 9.137 ( -3.852 -5.909 1.525) 7.217 9.175 ( -0.062 -3.764 -2.467) 4.501 9.292 ( 0.421 -1.564 0.873) 1.840 9.620 ( 2.821 0.795 -0.217) 2.939 9.857 ( 3.167 -0.499 1.367) 3.485 10.079 ( -5.461 -3.204 0.358) 6.342 10.144 ( -3.204 0.296 0.180) 3.222 10.275 ( 1.139 -2.023 -1.370) 2.695 10.379 ( 1.584 -2.701 0.737) 3.217 11.037 ( -0.593 1.706 -0.088) 1.808 11.085 ( 0.035 0.767 -0.322) 0.833 11.459 ( -5.026 5.087 -0.664) 7.182 11.759 ( -5.007 2.830 0.060) 5.752 11.837 ( -4.592 7.434 2.848) 9.190 11.972 ( -6.734 6.189 -2.151) 9.396 12.288 ( -0.342 3.309 -1.698) 3.735 12.407 ( 0.546 -0.443 1.171) 1.366 12.934 ( -0.905 1.815 0.075) 2.030 12.968 ( -1.378 2.441 0.101) 2.805 13.487 ( 1.579 3.634 -5.009) 6.387 13.629 ( 5.319 2.273 5.855) 8.231 13.890 ( -0.711 4.202 0.901) 4.356 14.284 ( 9.738 1.347 -2.675) 10.188 14.567 ( -12.778 -12.683 -2.071) 18.122 14.720 ( -5.752 -2.859 3.844) 7.486 14.977 ( -6.650 -11.004 -1.828) 12.987 15.200 ( -2.280 0.855 5.598) 6.104 15.591 ( 8.009 -2.400 -3.054) 8.902 15.895 ( 3.137 -15.907 -5.820) 17.226 16.491 ( 10.952 8.635 9.326) 16.778 16.617 ( 8.122 4.100 -1.990) 9.314 16.722 ( 0.778 -1.555 -0.429) 1.790 16.771 ( 2.838 -2.087 0.843) 3.622 16.900 ( 2.284 -4.448 -2.663) 5.665 17.387 ( 12.285 -6.659 -1.305) 14.035 ======================= Grid point 107 (52/70) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -8.414 16.325 3.276) 18.655 1.188 ( -5.556 16.247 12.478) 21.226 1.374 ( -11.537 14.276 -4.842) 18.982 1.525 ( -8.492 11.329 -10.437) 17.589 1.691 ( -9.506 10.675 1.266) 14.350 1.740 ( -12.199 13.471 -1.493) 18.236 1.835 ( -9.410 17.633 5.870) 20.831 1.971 ( -8.449 5.809 -3.616) 10.873 2.017 ( -5.860 8.497 9.734) 14.188 2.149 ( -7.504 9.239 -3.388) 12.375 2.295 ( -5.720 13.115 0.917) 14.338 2.374 ( -6.201 15.293 1.282) 16.552 2.543 ( -4.536 5.485 -1.356) 7.245 2.600 ( 0.188 10.296 0.796) 10.329 2.639 ( -2.588 2.838 -1.361) 4.075 2.742 ( -3.588 7.294 -3.228) 8.746 2.969 ( -1.765 -4.976 -3.074) 6.110 3.054 ( -10.601 7.270 -3.453) 13.310 3.287 ( -3.890 -5.733 0.863) 6.981 3.434 ( -6.811 -2.856 -5.376) 9.135 3.604 ( -2.429 -4.127 5.972) 7.654 3.667 ( -2.820 -1.092 -0.332) 3.042 3.820 ( 1.960 0.340 1.516) 2.501 4.012 ( -1.120 1.692 0.211) 2.040 4.068 ( 0.986 -3.757 -0.861) 3.979 4.192 ( -1.223 -3.884 -2.112) 4.587 4.404 ( 5.931 0.977 3.781) 7.102 4.498 ( 0.348 4.423 4.547) 6.353 4.548 ( 2.968 0.054 -1.937) 3.545 4.606 ( 8.291 6.060 -2.214) 10.505 4.711 ( -0.241 -0.532 -0.159) 0.605 4.781 ( 1.334 2.069 -1.253) 2.763 4.899 ( -2.611 1.249 3.827) 4.798 4.980 ( -0.719 3.827 1.451) 4.155 5.055 ( 0.018 2.390 5.437) 5.939 5.151 ( -1.383 0.310 -1.711) 2.221 5.211 ( -1.242 4.262 -2.260) 4.982 5.242 ( -0.455 3.770 -3.575) 5.215 5.289 ( 3.089 1.674 -2.906) 4.559 5.349 ( 0.500 1.169 0.998) 1.616 5.408 ( 0.318 -2.426 0.480) 2.493 5.469 ( -3.836 0.625 -2.604) 4.679 5.524 ( -1.728 5.774 -2.198) 6.415 5.558 ( -4.916 -1.131 -0.656) 5.087 5.763 ( 5.245 3.633 -4.280) 7.683 5.879 ( 3.505 -1.060 4.123) 5.514 5.895 ( -1.098 0.270 1.088) 1.569 6.093 ( -0.075 -2.112 3.765) 4.317 6.171 ( -3.683 -1.296 -0.018) 3.904 6.204 ( 0.214 -1.582 -2.662) 3.104 6.403 ( -0.096 2.711 0.517) 2.761 6.580 ( 0.650 3.652 -4.771) 6.044 6.701 ( -0.473 8.444 -1.011) 8.518 6.743 ( 8.377 -2.356 2.521) 9.060 6.845 ( -0.546 -0.598 4.128) 4.207 6.911 ( 2.630 5.557 7.610) 9.783 7.069 ( -1.590 0.514 1.857) 2.499 7.261 ( 0.701 -4.285 -5.644) 7.120 7.371 ( -2.570 -3.697 2.714) 5.257 7.553 ( -0.009 -3.736 -9.912) 10.592 7.744 ( 6.066 0.326 3.916) 7.228 7.862 ( 1.590 -0.097 5.341) 5.573 8.107 ( -2.970 -2.192 1.976) 4.187 8.192 ( 2.095 0.698 0.448) 2.253 8.227 ( -4.410 0.528 -3.625) 5.733 8.314 ( -0.715 -1.754 -1.673) 2.527 8.515 ( -0.700 -2.470 -1.550) 2.999 8.538 ( 0.703 0.955 1.564) 1.963 8.608 ( -0.145 -1.741 1.225) 2.134 8.691 ( 0.339 -0.251 -0.537) 0.682 8.772 ( 0.813 2.984 1.981) 3.673 8.992 ( -0.835 -4.883 -3.747) 6.211 9.018 ( -1.749 -0.224 2.467) 3.033 9.066 ( -0.930 -6.429 -0.451) 6.511 9.183 ( 1.109 -3.376 0.024) 3.553 9.286 ( -1.275 -1.254 0.596) 1.885 9.696 ( 4.581 0.762 -0.118) 4.645 9.918 ( 0.428 -0.742 1.436) 1.672 9.960 ( -4.010 -1.930 0.969) 4.555 10.080 ( -3.077 -0.023 1.533) 3.438 10.298 ( 1.266 -1.018 -1.042) 1.930 10.399 ( 0.237 -2.184 -1.601) 2.718 11.025 ( -0.469 2.270 0.261) 2.333 11.073 ( -0.923 1.058 -1.273) 1.896 11.413 ( 0.357 4.116 1.533) 4.407 11.641 ( -5.136 4.335 -3.414) 7.538 11.785 ( -2.181 4.780 3.800) 6.484 11.857 ( -3.993 3.578 -2.924) 6.107 12.308 ( 2.449 1.950 0.826) 3.238 12.427 ( 0.699 -1.664 0.727) 1.946 12.921 ( -0.279 1.497 0.150) 1.531 12.940 ( -1.252 2.158 -0.015) 2.495 13.495 ( 0.685 2.330 -1.804) 3.026 13.739 ( 3.722 -2.603 4.210) 6.193 13.827 ( -4.309 0.711 1.469) 4.608 14.271 ( -12.184 -9.851 -1.505) 15.740 14.431 ( 2.210 -3.619 -4.103) 5.901 14.563 ( -9.176 -6.391 2.882) 11.547 14.919 ( -0.508 -1.319 7.805) 7.932 15.167 ( 0.292 -2.452 -7.656) 8.044 15.720 ( 4.557 -7.153 2.923) 8.971 15.953 ( 3.111 -9.055 -8.780) 12.991 16.627 ( 3.657 4.083 2.107) 5.872 16.723 ( 2.262 1.054 0.310) 2.515 16.730 ( 0.222 1.357 -0.115) 1.380 16.802 ( -0.155 1.553 -0.422) 1.616 17.081 ( 11.830 1.518 12.317) 17.146 17.627 ( 11.003 -4.361 -10.826) 16.040 ======================= Grid point 108 (53/70) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 2.264 12.858 4.892) 13.942 1.416 ( -3.377 9.913 -5.968) 12.054 1.528 ( 0.901 15.863 8.789) 18.158 1.727 ( 2.152 11.257 -7.539) 13.718 1.853 ( -0.757 8.929 0.063) 8.961 1.862 ( -0.094 9.054 0.647) 9.077 1.998 ( -1.722 11.061 0.950) 11.235 2.034 ( 0.216 8.585 -2.280) 8.885 2.164 ( -3.315 11.708 2.262) 12.377 2.222 ( 4.104 4.707 -1.657) 6.461 2.484 ( 1.595 3.801 3.431) 5.363 2.585 ( -1.397 6.015 -3.578) 7.137 2.660 ( -0.351 10.159 4.142) 10.976 2.746 ( 1.428 8.532 1.577) 8.793 2.799 ( 0.009 5.140 0.945) 5.227 2.832 ( 1.486 4.665 -0.489) 4.920 2.888 ( -0.795 -0.010 4.437) 4.507 3.036 ( -0.742 0.215 -8.944) 8.978 3.162 ( 3.253 -2.606 -0.579) 4.209 3.212 ( -4.854 -0.293 -4.652) 6.730 3.452 ( 1.541 -5.299 7.872) 9.614 3.620 ( -2.666 -0.747 -7.871) 8.344 3.933 ( 0.561 1.847 6.050) 6.350 4.006 ( 1.721 -3.356 0.056) 3.772 4.032 ( -1.751 2.027 0.689) 2.766 4.103 ( 1.323 -3.329 -4.034) 5.395 4.448 ( 0.364 0.432 3.373) 3.420 4.522 ( -1.627 2.425 -3.612) 4.645 4.736 ( 1.372 5.151 1.147) 5.453 4.749 ( 0.096 3.190 0.705) 3.268 4.821 ( -0.135 1.099 1.225) 1.651 4.857 ( 0.722 4.092 -1.136) 4.308 4.903 ( 2.085 4.265 2.894) 5.560 4.958 ( -3.762 2.231 -3.303) 5.481 5.105 ( -1.063 2.655 5.428) 6.135 5.202 ( 1.231 3.321 -0.136) 3.545 5.240 ( -0.016 0.616 -2.106) 2.195 5.277 ( -2.168 -0.083 -0.869) 2.337 5.320 ( 2.886 -2.528 0.371) 3.855 5.375 ( -2.242 -1.825 -2.562) 3.863 5.486 ( -2.374 3.780 -0.014) 4.464 5.494 ( 1.356 5.108 -1.529) 5.502 5.532 ( 4.431 2.818 1.122) 5.370 5.612 ( -1.129 5.898 -5.364) 8.052 5.862 ( -3.346 4.176 1.629) 5.594 5.908 ( 1.804 2.839 -2.320) 4.087 6.013 ( 0.735 1.253 4.772) 4.988 6.058 ( 2.450 -0.222 1.043) 2.672 6.112 ( -0.178 -0.237 3.219) 3.232 6.169 ( -0.985 -0.606 -1.941) 2.260 6.432 ( 0.319 -0.432 2.265) 2.328 6.515 ( -1.853 -3.545 -4.671) 6.150 6.829 ( -3.004 -2.097 1.403) 3.923 6.848 ( 1.293 1.903 -0.132) 2.305 6.897 ( 5.589 2.710 3.621) 7.190 6.967 ( -3.651 3.074 -1.850) 5.119 7.024 ( -1.311 -1.149 8.735) 8.907 7.204 ( 4.540 -5.180 -6.725) 9.627 7.263 ( -0.286 -4.080 2.636) 4.866 7.393 ( -2.738 -5.494 -8.572) 10.543 7.809 ( -3.255 -1.982 4.350) 5.783 7.860 ( 3.108 -1.700 0.774) 3.626 8.076 ( 1.142 -1.175 0.981) 1.910 8.110 ( 0.277 -1.377 -0.823) 1.628 8.235 ( 1.939 0.080 2.174) 2.915 8.300 ( -2.703 2.236 -3.699) 5.098 8.472 ( 0.471 -3.499 1.601) 3.877 8.524 ( -0.109 -0.787 -2.853) 2.962 8.590 ( -0.444 0.016 3.685) 3.712 8.659 ( 0.750 -0.371 -1.393) 1.625 8.778 ( -1.772 -2.299 0.278) 2.916 8.820 ( -0.147 -0.948 -2.972) 3.123 9.021 ( 0.677 0.202 4.344) 4.401 9.107 ( 1.940 2.016 -2.251) 3.591 9.156 ( 1.671 -2.713 1.476) 3.512 9.212 ( -3.248 -1.455 -1.781) 3.979 9.775 ( 3.125 -0.899 0.245) 3.261 9.778 ( -3.464 -1.085 0.042) 3.630 10.021 ( 0.169 0.620 3.002) 3.070 10.042 ( 1.072 -0.362 1.446) 1.836 10.295 ( 0.364 -1.042 -0.960) 1.462 10.332 ( -1.436 -2.180 -3.525) 4.387 11.069 ( 0.284 1.783 0.561) 1.891 11.084 ( -0.208 1.286 -0.775) 1.516 11.519 ( 2.027 3.194 3.711) 5.299 11.610 ( -2.428 1.889 -4.319) 5.303 11.876 ( -0.386 5.801 1.000) 5.899 11.898 ( 0.382 4.854 -0.995) 4.969 12.401 ( 1.614 2.318 1.168) 3.056 12.421 ( -0.970 1.409 -0.543) 1.794 12.955 ( -0.219 1.591 0.336) 1.641 12.962 ( 0.285 1.462 -0.241) 1.509 13.552 ( 3.538 -0.359 1.871) 4.018 13.597 ( -4.496 -2.193 -2.256) 5.487 13.777 ( 3.180 -7.236 4.987) 9.346 13.868 ( -1.908 -10.460 -3.241) 11.116 14.380 ( -2.708 -0.075 3.318) 4.284 14.453 ( 2.980 -1.192 -2.965) 4.369 14.814 ( -3.371 -6.306 8.739) 11.292 15.054 ( 3.561 -11.201 -12.825) 17.397 15.664 ( -1.997 0.681 10.808) 11.012 15.893 ( 1.275 -3.335 -10.115) 10.726 16.711 ( 0.620 1.007 0.279) 1.215 16.729 ( -0.473 0.297 -1.129) 1.260 16.786 ( 1.294 0.981 0.434) 1.681 16.808 ( -1.761 0.934 -2.114) 2.906 17.340 ( 0.091 4.584 15.269) 15.943 17.632 ( 0.033 -4.296 -11.141) 11.941 ======================= Grid point 109 (54/70) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 6.589 12.506 -0.496) 14.144 1.486 ( 8.211 12.096 2.738) 14.874 1.629 ( 8.345 12.248 3.209) 15.165 1.764 ( 2.746 11.266 -9.837) 15.206 1.900 ( 6.271 5.170 1.935) 8.355 1.948 ( 6.620 9.609 0.469) 11.678 2.065 ( 7.623 11.159 3.999) 14.094 2.118 ( 6.672 9.576 -2.919) 12.031 2.173 ( 5.791 6.143 3.357) 9.086 2.352 ( 7.755 5.151 -2.483) 9.636 2.585 ( 5.791 4.682 2.437) 7.835 2.604 ( 3.481 6.335 -2.595) 7.680 2.671 ( 1.174 10.376 4.918) 11.543 2.740 ( -0.953 4.689 -3.051) 5.675 2.807 ( 2.602 6.613 0.022) 7.107 2.850 ( -0.819 -0.957 1.029) 1.627 2.917 ( 3.324 6.259 -2.287) 7.446 3.120 ( 7.319 -4.588 -2.615) 9.026 3.170 ( 3.819 0.956 -2.889) 4.883 3.286 ( 8.308 -0.691 2.392) 8.673 3.525 ( 3.319 -5.841 4.771) 8.240 3.602 ( 3.023 -2.608 -3.099) 5.054 3.912 ( -2.738 0.168 2.799) 3.919 3.976 ( -3.836 1.868 -1.325) 4.468 4.044 ( 2.030 -1.387 0.842) 2.599 4.129 ( 1.110 -2.878 -2.448) 3.938 4.461 ( 1.195 1.893 4.842) 5.334 4.510 ( 0.506 1.938 -4.018) 4.490 4.656 ( -7.378 4.168 0.992) 8.532 4.715 ( -2.432 2.595 -1.173) 3.745 4.785 ( -3.222 5.537 -3.023) 7.084 4.838 ( -3.641 2.163 0.272) 4.244 4.928 ( 1.973 -0.098 0.754) 2.114 4.994 ( 3.658 2.561 2.567) 5.151 5.051 ( -4.195 2.242 4.179) 6.332 5.206 ( -4.466 -1.154 0.569) 4.648 5.222 ( -0.868 1.655 -0.397) 1.910 5.272 ( 1.818 3.368 -1.191) 4.009 5.306 ( -1.246 3.258 -0.525) 3.527 5.376 ( -0.750 0.325 -0.422) 0.920 5.443 ( 1.355 -2.429 -1.170) 3.018 5.495 ( 0.342 3.255 -0.375) 3.294 5.577 ( -1.138 -0.478 -2.409) 2.706 5.623 ( 2.611 4.884 -2.262) 5.983 5.786 ( -3.100 6.474 0.842) 7.227 5.904 ( -1.517 0.778 -0.675) 1.834 5.968 ( -4.341 1.382 -1.180) 4.706 6.111 ( 0.985 -1.130 0.236) 1.517 6.132 ( 1.363 0.341 3.170) 3.467 6.167 ( 0.548 -0.302 0.411) 0.748 6.444 ( -0.099 0.820 0.751) 1.116 6.518 ( 1.792 -2.515 0.454) 3.122 6.736 ( -3.776 -0.909 2.234) 4.480 6.847 ( -3.956 2.192 1.550) 4.781 6.874 ( -2.858 1.146 -3.754) 4.855 7.008 ( 4.076 2.498 1.352) 4.968 7.078 ( 4.291 -2.537 2.659) 5.649 7.216 ( -5.299 -4.961 3.583) 8.095 7.229 ( -1.193 -0.182 -4.561) 4.718 7.396 ( 4.665 -6.245 -3.862) 8.699 7.728 ( -3.612 -0.572 0.986) 3.787 7.865 ( -0.691 -3.949 1.080) 4.152 8.135 ( 4.374 -0.829 0.310) 4.463 8.198 ( 3.970 1.997 -3.093) 5.415 8.243 ( -0.228 1.424 -0.064) 1.443 8.292 ( 2.534 0.008 1.452) 2.920 8.432 ( -2.103 0.210 -0.698) 2.226 8.526 ( -1.040 -3.174 0.719) 3.416 8.594 ( 0.885 0.662 0.732) 1.326 8.709 ( 2.641 -0.342 -2.215) 3.463 8.785 ( 2.690 0.302 3.472) 4.403 8.866 ( 4.943 -4.615 -0.823) 6.813 9.024 ( -1.186 2.457 1.889) 3.318 9.106 ( -1.378 -1.001 -3.907) 4.262 9.132 ( -2.547 -0.778 -2.074) 3.376 9.206 ( 1.445 -2.673 3.272) 4.465 9.719 ( -2.801 1.504 0.157) 3.183 9.853 ( 4.343 -2.964 0.730) 5.308 9.987 ( -2.111 1.132 1.160) 2.661 10.099 ( 2.874 -1.564 0.236) 3.280 10.281 ( -2.518 -1.781 -2.023) 3.689 10.293 ( -0.762 -1.798 0.299) 1.976 11.077 ( 0.241 1.601 -0.037) 1.620 11.088 ( 0.534 1.243 -0.193) 1.366 11.572 ( 1.428 4.069 -1.481) 4.559 11.612 ( 4.263 2.458 1.701) 5.206 11.903 ( 3.411 6.496 0.728) 7.373 11.968 ( 6.302 4.951 -0.870) 8.061 12.389 ( -1.414 2.768 -1.245) 3.349 12.420 ( 0.104 1.437 0.797) 1.646 12.955 ( 0.601 1.907 0.172) 2.007 12.984 ( 1.622 1.606 -0.194) 2.291 13.533 ( -1.258 1.675 -0.788) 2.238 13.689 ( 7.322 -2.471 1.540) 7.880 13.834 ( 3.429 -4.326 -0.455) 5.539 13.984 ( 11.090 -12.921 0.438) 17.033 14.350 ( -0.716 -0.261 0.628) 0.988 14.528 ( 5.270 -3.389 -1.967) 6.567 14.724 ( -6.634 -4.827 7.362) 11.023 15.115 ( 5.006 -14.283 -9.681) 17.967 15.601 ( -6.180 1.517 10.318) 12.123 15.844 ( -4.082 -3.199 -8.881) 10.284 16.683 ( -3.808 2.600 -0.711) 4.666 16.713 ( -1.029 0.208 -0.022) 1.050 16.753 ( -2.201 0.471 -0.649) 2.343 16.810 ( 0.278 -0.743 0.342) 0.864 17.216 ( -14.339 4.924 9.527) 17.906 17.502 ( -10.304 -3.809 -6.876) 12.960 ======================= Grid point 110 (55/70) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 9.099 12.678 -2.501) 15.804 1.663 ( 8.291 10.378 2.610) 13.537 1.795 ( 7.207 9.260 -4.177) 12.455 1.898 ( 11.746 11.377 0.475) 16.359 2.055 ( 7.142 7.940 2.739) 11.026 2.091 ( 8.047 5.965 0.746) 10.045 2.231 ( 5.098 1.875 -1.312) 5.588 2.253 ( 8.872 8.117 1.025) 12.069 2.390 ( 11.764 3.531 3.874) 12.879 2.492 ( 6.229 7.900 -5.291) 11.367 2.625 ( 1.488 4.894 -0.067) 5.115 2.701 ( 2.344 7.160 4.139) 8.595 2.722 ( 2.816 0.008 -3.449) 4.453 2.750 ( 4.322 2.545 3.070) 5.881 2.860 ( 2.168 -1.487 1.448) 3.002 2.921 ( 2.748 8.842 -3.575) 9.925 2.978 ( 9.175 6.417 -4.248) 11.975 3.251 ( 5.090 -7.268 0.387) 8.881 3.332 ( 10.081 -2.558 -0.859) 10.436 3.491 ( 10.364 0.179 3.213) 10.853 3.603 ( 5.233 -9.562 -0.363) 10.906 3.706 ( 4.699 0.323 2.777) 5.468 3.854 ( -3.144 0.254 1.591) 3.533 3.886 ( -3.030 0.980 -1.015) 3.342 4.072 ( -0.472 1.187 0.045) 1.278 4.158 ( 3.025 -3.426 -1.390) 4.777 4.449 ( -5.276 3.698 0.109) 6.444 4.513 ( 0.366 2.248 -2.120) 3.112 4.565 ( -0.225 4.491 0.850) 4.576 4.660 ( -2.062 4.529 -0.029) 4.977 4.715 ( -3.611 3.187 -1.150) 4.952 4.761 ( -2.141 1.415 -2.390) 3.507 4.945 ( -2.191 4.079 6.702) 8.146 4.972 ( -2.852 -0.545 0.052) 2.904 5.044 ( -2.299 -2.090 -0.387) 3.131 5.074 ( -3.451 -0.600 2.284) 4.181 5.217 ( 0.014 0.778 -1.253) 1.475 5.280 ( -0.482 0.685 0.944) 1.262 5.304 ( 0.653 2.532 -0.001) 2.615 5.390 ( 0.137 -2.144 -0.912) 2.334 5.419 ( -1.996 -0.591 -2.156) 2.997 5.496 ( -2.767 -4.385 -0.518) 5.211 5.591 ( 5.295 -2.176 0.117) 5.725 5.656 ( 0.343 3.179 -2.357) 3.972 5.772 ( 2.052 7.831 -0.507) 8.111 5.858 ( -2.371 2.000 -0.454) 3.136 5.894 ( -2.454 -0.193 -2.128) 3.254 6.114 ( -1.240 -2.115 -1.617) 2.937 6.149 ( -1.406 -0.650 3.541) 3.865 6.167 ( 1.301 1.881 3.343) 4.051 6.443 ( -1.390 3.110 1.142) 3.593 6.502 ( -2.648 1.097 -1.117) 3.076 6.650 ( -5.487 1.730 -3.614) 6.794 6.799 ( 0.127 -2.710 3.379) 4.334 6.840 ( -1.186 1.297 -1.629) 2.397 7.016 ( -3.894 -3.234 1.785) 5.367 7.111 ( -2.633 1.739 2.038) 3.756 7.155 ( 2.148 0.253 -0.701) 2.274 7.252 ( 4.076 -0.048 0.245) 4.083 7.482 ( 3.304 -3.662 -1.644) 5.199 7.683 ( -0.472 1.366 0.013) 1.445 7.892 ( 2.374 -2.657 0.053) 3.564 8.157 ( -0.664 1.396 0.213) 1.560 8.256 ( 1.460 0.679 0.385) 1.655 8.293 ( 4.601 3.934 -3.864) 7.181 8.341 ( 1.686 -3.658 0.536) 4.064 8.423 ( 0.369 2.938 0.916) 3.100 8.530 ( 2.864 -1.270 3.065) 4.383 8.602 ( -0.067 -1.724 -1.042) 2.016 8.743 ( 2.041 -0.516 -2.344) 3.150 8.860 ( 3.166 1.769 1.611) 3.969 8.970 ( 0.859 1.670 2.221) 2.908 9.000 ( 1.373 -1.551 -0.113) 2.075 9.069 ( -1.702 -2.610 0.631) 3.180 9.093 ( 0.318 -1.566 -5.292) 5.528 9.229 ( 0.181 -2.678 2.574) 3.719 9.661 ( -2.834 3.330 0.183) 4.376 9.878 ( -3.032 -1.031 -0.007) 3.203 10.008 ( 4.654 -2.099 0.607) 5.141 10.147 ( 1.926 -3.344 -2.164) 4.424 10.234 ( -1.407 -0.896 -0.064) 1.670 10.275 ( -1.299 -2.936 1.943) 3.753 11.076 ( -0.292 1.237 -0.485) 1.360 11.093 ( -0.172 0.734 0.284) 0.806 11.614 ( 3.507 5.695 -2.965) 7.316 11.723 ( 5.038 1.482 4.040) 6.626 12.016 ( 7.668 8.576 0.710) 11.526 12.135 ( 10.193 6.294 -1.360) 12.056 12.382 ( 1.359 5.029 -0.786) 5.269 12.432 ( 1.808 2.372 -0.031) 2.982 12.978 ( 1.543 2.508 0.110) 2.946 13.020 ( 1.856 1.955 -0.179) 2.702 13.510 ( -1.757 5.099 1.271) 5.541 13.778 ( 1.599 -0.206 -5.097) 5.346 13.912 ( 2.114 0.957 3.772) 4.429 14.226 ( 12.006 -15.248 0.737) 19.421 14.316 ( -4.640 -0.615 -4.092) 6.217 14.616 ( -1.190 -5.891 8.147) 10.124 14.684 ( 8.657 -6.785 -1.938) 11.168 15.226 ( 7.303 -18.868 -4.721) 20.776 15.478 ( -7.078 3.518 7.477) 10.880 15.707 ( -7.517 -2.561 -7.122) 10.667 16.560 ( -8.949 3.531 2.447) 9.927 16.688 ( -1.411 -0.072 0.082) 1.415 16.703 ( -3.789 -0.853 -0.722) 3.950 16.788 ( -6.268 -1.910 1.480) 6.718 16.885 ( -13.019 5.568 -0.995) 14.195 17.243 ( -13.410 -5.596 -0.581) 14.542 ======================= Grid point 111 (56/70) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 9.950 9.179 -1.312) 13.600 1.823 ( 8.090 8.320 -2.623) 11.898 1.942 ( 6.757 8.768 2.748) 11.406 2.084 ( 5.619 13.154 -0.109) 14.304 2.203 ( 5.907 4.284 1.892) 7.539 2.256 ( 4.714 2.533 2.752) 6.018 2.305 ( 5.597 1.156 0.072) 5.715 2.370 ( 4.032 5.103 -3.197) 7.247 2.531 ( 0.916 0.542 -6.475) 6.562 2.610 ( 7.599 0.370 2.680) 8.066 2.648 ( 0.537 -0.436 2.533) 2.626 2.774 ( 1.508 4.818 3.014) 5.880 2.796 ( 5.421 0.304 -2.847) 6.131 2.881 ( 7.256 -0.613 5.279) 8.994 2.919 ( 0.104 8.280 -6.894) 10.775 2.954 ( 6.436 0.829 4.242) 7.753 3.163 ( 6.625 4.670 -4.231) 9.143 3.306 ( 0.956 -5.188 0.838) 5.341 3.503 ( 6.931 -2.233 -3.543) 8.099 3.624 ( 1.490 -2.052 1.234) 2.820 3.696 ( -0.702 2.293 0.983) 2.592 3.773 ( 6.746 -4.685 2.937) 8.722 3.850 ( 3.836 -3.420 2.255) 5.612 3.917 ( 3.583 0.826 1.728) 4.063 4.012 ( -4.364 -0.181 -2.157) 4.872 4.204 ( 0.480 -3.477 -3.415) 4.897 4.378 ( -1.513 5.394 3.165) 6.435 4.497 ( -1.286 2.870 -5.737) 6.542 4.577 ( 0.430 2.231 5.357) 5.819 4.599 ( -2.261 3.740 -3.922) 5.872 4.672 ( -1.592 4.588 0.494) 4.882 4.750 ( 1.011 -1.847 -4.413) 4.890 4.877 ( -4.685 1.760 5.408) 7.368 4.947 ( 0.094 -1.997 1.553) 2.532 4.972 ( -0.924 2.300 3.863) 4.590 5.082 ( -0.148 -4.878 0.427) 4.899 5.205 ( -0.941 0.070 -1.886) 2.109 5.221 ( -3.795 -3.007 -2.270) 5.348 5.341 ( 1.683 0.826 4.020) 4.435 5.359 ( -0.544 -6.687 -0.139) 6.711 5.394 ( -0.989 -1.903 -0.064) 2.146 5.504 ( 2.608 -1.576 0.868) 3.168 5.619 ( -0.892 -0.709 -7.541) 7.627 5.713 ( 4.089 1.418 3.346) 5.470 5.803 ( -1.033 3.426 -1.038) 3.725 5.832 ( -0.385 2.236 -1.057) 2.503 5.865 ( 1.403 1.904 -1.371) 2.734 6.039 ( -4.272 -2.264 -1.192) 4.980 6.160 ( 0.689 1.806 2.101) 2.855 6.205 ( 1.388 2.585 3.708) 4.729 6.383 ( -4.449 1.013 2.955) 5.436 6.399 ( -5.360 4.124 -7.979) 10.459 6.596 ( 0.370 2.325 -2.826) 3.678 6.776 ( -3.778 -0.257 -4.592) 5.951 6.811 ( -0.657 -1.788 4.872) 5.231 6.968 ( -0.931 -1.831 5.906) 6.253 7.107 ( 1.716 6.453 1.289) 6.800 7.179 ( 0.624 3.533 0.497) 3.622 7.327 ( 2.126 -1.579 0.040) 2.649 7.502 ( -0.868 -1.168 -4.012) 4.268 7.714 ( 2.868 3.341 3.792) 5.811 7.929 ( 1.227 -1.034 -1.254) 2.036 8.159 ( 0.856 1.935 1.492) 2.589 8.268 ( -1.659 -0.553 -0.486) 1.815 8.305 ( -0.288 0.733 -0.366) 0.869 8.386 ( 3.512 0.463 -5.521) 6.560 8.495 ( 5.466 3.263 2.353) 6.787 8.582 ( 0.357 -1.340 -1.212) 1.842 8.637 ( 3.852 -3.066 3.609) 6.105 8.776 ( 1.298 1.235 -1.529) 2.355 8.892 ( -1.938 0.888 -0.734) 2.255 8.939 ( -0.345 2.188 -0.257) 2.230 9.022 ( 0.074 -1.816 2.811) 3.347 9.045 ( 0.609 0.055 -1.968) 2.060 9.146 ( 2.893 -2.850 -0.393) 4.080 9.224 ( -1.039 -2.500 1.227) 2.973 9.621 ( -0.823 3.285 0.134) 3.389 9.792 ( -4.662 -0.202 -1.020) 4.776 10.103 ( 3.577 -4.918 1.046) 6.171 10.160 ( 0.280 -5.312 -1.888) 5.645 10.233 ( 0.706 0.517 -0.545) 1.031 10.254 ( -0.840 -2.527 2.242) 3.481 11.065 ( -0.641 0.712 -0.299) 1.004 11.082 ( -0.919 0.253 0.180) 0.970 11.685 ( 3.519 4.863 -1.040) 6.092 11.796 ( 1.429 -0.053 2.047) 2.497 12.206 ( 10.667 11.291 0.817) 15.554 12.345 ( 10.430 8.548 -1.942) 13.624 12.450 ( 5.194 7.235 -0.886) 8.950 12.504 ( 5.026 6.163 0.815) 7.994 13.010 ( 1.471 3.191 -0.037) 3.513 13.050 ( 0.962 2.615 -0.004) 2.786 13.463 ( -2.992 6.798 3.077) 8.040 13.746 ( -3.062 2.712 -8.354) 9.301 13.898 ( -3.894 3.226 5.265) 7.300 14.129 ( -11.043 1.943 -3.423) 11.724 14.450 ( 9.405 -14.582 2.812) 17.578 14.669 ( 4.199 -9.483 4.323) 11.236 14.902 ( 12.073 -10.019 -3.066) 15.986 15.286 ( -4.152 -12.582 4.806) 14.094 15.439 ( 3.610 -0.241 -4.859) 6.059 15.555 ( -4.462 -1.260 -2.162) 5.116 16.298 ( -17.680 2.704 6.273) 18.954 16.450 ( -14.507 -0.452 -4.785) 15.282 16.661 ( -1.257 -0.300 0.112) 1.297 16.677 ( -2.160 -0.504 0.068) 2.219 16.834 ( 0.473 -2.397 -0.684) 2.537 17.020 ( -8.229 -7.398 0.723) 11.089 ======================= Grid point 112 (57/70) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 7.084 5.390 0.235) 8.905 1.955 ( 4.295 7.441 -1.038) 8.654 2.065 ( 3.920 6.394 5.937) 9.566 2.144 ( 0.680 7.157 0.954) 7.252 2.190 ( -2.273 6.803 -3.858) 8.144 2.276 ( -1.905 3.399 -3.425) 5.187 2.444 ( 5.480 -0.576 1.905) 5.830 2.498 ( 6.653 1.493 -1.584) 7.000 2.539 ( 1.856 -0.094 -0.590) 1.950 2.642 ( -1.922 0.733 3.858) 4.372 2.688 ( -1.356 -3.727 -0.337) 3.980 2.788 ( 1.433 3.218 1.153) 3.706 2.830 ( -2.443 3.388 -7.592) 8.665 2.919 ( -0.592 1.158 -2.218) 2.572 2.967 ( 3.429 -4.605 7.228) 9.231 3.158 ( 7.560 6.652 5.383) 11.418 3.190 ( 1.189 -3.869 -6.502) 7.659 3.335 ( 0.594 -1.124 0.598) 1.405 3.573 ( 1.157 -1.574 -2.447) 3.131 3.625 ( -0.694 -1.120 2.005) 2.399 3.711 ( 3.530 7.979 0.241) 8.728 3.807 ( -4.880 4.166 -1.745) 6.650 3.927 ( -0.456 1.391 2.950) 3.294 3.972 ( 3.042 -2.480 -1.624) 4.248 4.019 ( 5.535 -6.429 3.272) 9.092 4.167 ( -2.715 -5.025 -2.747) 6.338 4.371 ( 0.065 3.662 1.592) 3.994 4.477 ( 0.995 1.754 -4.825) 5.229 4.501 ( -3.465 -1.791 -0.449) 3.926 4.590 ( -3.693 -1.652 -0.553) 4.084 4.678 ( 0.935 -0.180 1.502) 1.779 4.756 ( 0.837 -0.022 -2.494) 2.631 4.856 ( 3.582 2.564 1.356) 4.609 4.922 ( -2.873 3.351 4.340) 6.190 5.043 ( 4.927 -2.722 2.720) 6.252 5.064 ( -1.080 -3.650 1.986) 4.293 5.165 ( -1.336 -3.565 0.531) 3.844 5.204 ( 0.675 -0.302 -2.560) 2.664 5.323 ( -1.824 -9.676 -0.706) 9.872 5.347 ( -1.709 -4.042 -1.090) 4.522 5.430 ( 1.958 1.755 5.712) 6.289 5.515 ( -2.617 2.380 2.381) 4.264 5.622 ( 2.449 -1.846 -5.399) 6.209 5.698 ( -2.397 -1.508 -3.856) 4.784 5.816 ( 2.152 3.378 0.659) 4.059 5.861 ( 2.468 1.831 1.677) 3.501 5.895 ( 0.947 2.838 -0.730) 3.080 5.974 ( -1.877 0.075 -2.784) 3.359 6.155 ( -4.785 0.650 1.011) 4.934 6.176 ( -0.454 3.143 -3.656) 4.842 6.309 ( -1.343 1.919 5.189) 5.693 6.380 ( 2.665 5.318 -2.997) 6.661 6.597 ( -0.236 1.096 -3.994) 4.149 6.661 ( -5.339 1.673 -6.130) 8.300 6.845 ( 2.168 0.281 7.881) 8.179 6.977 ( 0.235 1.021 2.272) 2.501 7.168 ( 3.277 5.621 4.954) 8.178 7.198 ( 1.348 3.914 4.467) 6.090 7.330 ( -1.227 -0.589 -2.278) 2.654 7.443 ( -3.387 -0.147 -6.995) 7.773 7.788 ( 3.066 3.523 5.646) 7.327 7.933 ( -0.514 0.371 -2.658) 2.732 8.187 ( 0.024 1.765 2.923) 3.415 8.216 ( -0.525 -0.245 0.428) 0.720 8.337 ( 2.231 1.055 -3.694) 4.442 8.405 ( -0.876 1.170 -5.105) 5.310 8.592 ( 1.678 -0.018 3.054) 3.485 8.610 ( 3.232 -2.496 0.919) 4.186 8.692 ( 2.024 -0.251 -0.286) 2.060 8.767 ( -3.062 5.014 -0.520) 5.898 8.849 ( 0.368 -1.495 -0.308) 1.570 8.908 ( -2.932 -0.877 -1.441) 3.383 9.056 ( 2.044 -1.067 3.683) 4.345 9.091 ( 3.317 0.376 -1.479) 3.651 9.165 ( -0.455 -0.419 0.413) 0.744 9.193 ( -2.095 -2.144 0.121) 3.000 9.639 ( 2.460 1.638 -0.147) 2.959 9.703 ( -3.970 0.221 -0.555) 4.014 10.136 ( 0.310 -6.997 0.941) 7.066 10.165 ( -0.045 -6.977 -1.234) 7.085 10.242 ( 0.667 0.789 0.630) 1.210 10.257 ( 0.206 0.010 0.019) 0.207 11.055 ( -0.147 0.255 0.019) 0.295 11.064 ( -0.685 0.038 -0.039) 0.687 11.742 ( 2.228 2.870 0.814) 3.724 11.799 ( -0.934 -0.034 0.097) 0.940 12.397 ( 6.860 11.889 0.190) 13.727 12.494 ( 2.002 10.463 -3.189) 11.120 12.553 ( 6.232 9.298 0.034) 11.194 12.601 ( 2.421 10.405 1.851) 10.842 13.034 ( 1.026 3.827 -0.208) 3.968 13.051 ( -0.834 3.592 0.211) 3.693 13.430 ( -0.358 6.283 4.940) 8.001 13.646 ( -4.473 3.564 -8.535) 10.274 13.827 ( -2.564 3.016 4.663) 6.116 13.942 ( -5.357 3.252 -3.214) 7.043 14.603 ( 5.083 -13.184 5.145) 15.037 14.739 ( 0.954 -13.416 0.880) 13.479 15.117 ( 9.446 -10.854 -4.514) 15.080 15.188 ( -5.621 -7.471 0.752) 9.379 15.442 ( 2.338 5.394 -1.782) 6.143 15.547 ( -3.227 1.354 0.543) 3.541 16.046 ( -4.666 -4.658 4.356) 7.902 16.191 ( -9.614 -5.588 -3.085) 11.540 16.641 ( -0.640 -0.734 0.417) 1.060 16.651 ( -0.547 -1.248 -0.399) 1.419 16.856 ( 1.760 -4.399 -0.201) 4.743 16.908 ( -3.675 -6.627 0.252) 7.582 ======================= Grid point 113 (58/70) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -6.566 6.534 0.376) 9.271 1.957 ( -7.080 6.228 -0.024) 9.430 2.067 ( -0.944 7.840 3.387) 8.593 2.134 ( -2.119 6.718 1.777) 7.265 2.207 ( 2.448 4.969 -2.132) 5.936 2.290 ( 4.467 2.561 -5.952) 7.870 2.445 ( -5.809 -0.994 0.346) 5.903 2.523 ( -4.308 0.522 -2.984) 5.266 2.598 ( -2.933 -1.647 1.273) 3.597 2.610 ( -1.581 3.218 0.199) 3.591 2.626 ( 1.613 1.212 5.368) 5.735 2.753 ( -0.881 2.157 -4.621) 5.176 2.841 ( 0.497 3.109 4.635) 5.604 2.858 ( -3.911 -1.542 -0.817) 4.282 3.027 ( -0.004 -2.308 5.456) 5.924 3.124 ( -2.492 -1.868 -5.835) 6.614 3.247 ( -4.909 2.456 -0.840) 5.553 3.353 ( 2.957 -0.218 -0.695) 3.045 3.567 ( -5.349 -0.120 -2.423) 5.874 3.630 ( 3.957 -0.724 1.782) 4.400 3.703 ( -2.796 5.669 0.535) 6.344 3.785 ( 2.861 4.244 -0.207) 5.123 3.892 ( -3.641 0.714 4.072) 5.509 4.006 ( -0.439 -1.973 -2.528) 3.237 4.075 ( -0.306 -4.581 0.935) 4.685 4.113 ( -1.752 -5.078 -0.702) 5.417 4.372 ( -0.924 2.104 0.885) 2.462 4.462 ( 0.751 -1.206 0.581) 1.535 4.488 ( -0.132 2.045 -2.861) 3.519 4.580 ( 4.166 -2.167 -0.481) 4.720 4.700 ( 0.330 -0.388 1.708) 1.782 4.764 ( 0.426 1.159 -5.285) 5.428 4.862 ( -1.435 3.469 2.239) 4.371 4.973 ( 5.166 1.122 1.323) 5.450 5.020 ( -2.777 -2.051 2.750) 4.413 5.124 ( -1.469 -4.183 1.436) 4.660 5.167 ( 4.249 0.005 -1.534) 4.518 5.219 ( 0.031 -3.434 -5.999) 6.913 5.268 ( -2.014 -7.108 3.070) 8.000 5.327 ( -0.092 -5.088 0.968) 5.181 5.390 ( -4.616 -1.777 7.205) 8.739 5.496 ( -1.133 -0.558 5.593) 5.734 5.632 ( 1.059 2.745 -7.889) 8.420 5.743 ( 5.958 -0.585 -5.991) 8.469 5.841 ( -4.112 1.369 -0.652) 4.383 5.845 ( -0.285 2.285 2.814) 3.637 5.911 ( -1.156 2.415 -0.425) 2.711 5.952 ( 0.862 0.887 -2.151) 2.482 6.092 ( -0.031 2.860 2.850) 4.038 6.196 ( 3.525 4.521 -4.000) 6.991 6.298 ( -1.506 1.056 4.777) 5.119 6.446 ( 3.693 3.148 -3.874) 6.209 6.535 ( -3.549 2.231 -0.239) 4.199 6.623 ( 1.659 0.394 -3.215) 3.639 6.894 ( 0.708 1.309 6.694) 6.857 6.970 ( -0.557 2.041 -1.721) 2.727 7.235 ( 1.101 1.729 5.279) 5.663 7.256 ( 1.847 2.763 5.784) 6.671 7.288 ( -0.787 3.451 -2.513) 4.341 7.370 ( -1.447 -0.396 -7.534) 7.682 7.845 ( 1.368 2.642 5.290) 6.069 7.898 ( -2.318 1.231 -3.902) 4.703 8.168 ( -0.876 0.792 2.958) 3.185 8.253 ( 2.300 -0.888 -0.435) 2.503 8.337 ( -3.207 1.644 -2.953) 4.658 8.371 ( 0.495 1.698 -3.630) 4.038 8.579 ( -3.115 -3.346 2.096) 5.029 8.649 ( -0.053 -1.178 -0.180) 1.193 8.676 ( -3.757 2.328 0.755) 4.484 8.766 ( 3.095 4.696 -0.363) 5.636 8.852 ( -0.865 -2.155 -0.544) 2.385 8.890 ( 2.364 -0.194 -0.248) 2.384 9.050 ( -3.206 0.175 2.365) 3.988 9.130 ( -0.835 -2.526 -3.007) 4.015 9.159 ( 0.248 -0.535 1.212) 1.348 9.182 ( 2.091 -1.037 1.004) 2.541 9.637 ( -2.269 1.648 -0.045) 2.804 9.703 ( 3.605 0.471 -0.559) 3.678 10.137 ( -0.469 -6.769 1.030) 6.863 10.161 ( 0.002 -7.398 -1.092) 7.478 10.238 ( -1.109 0.849 0.639) 1.536 10.263 ( 0.399 0.175 -0.156) 0.463 11.057 ( 0.085 0.197 -0.153) 0.264 11.062 ( 0.734 0.046 0.134) 0.748 11.764 ( -2.352 1.708 -0.764) 3.006 11.783 ( 1.404 1.258 1.370) 2.330 12.403 ( -7.168 11.452 0.085) 13.510 12.465 ( -2.671 10.475 -1.235) 10.880 12.554 ( -6.364 10.573 -0.065) 12.341 12.622 ( -1.230 9.472 0.167) 9.553 13.030 ( -0.954 3.709 0.051) 3.830 13.053 ( 0.512 3.562 0.084) 3.600 13.474 ( 3.061 5.354 6.638) 9.061 13.575 ( -0.125 5.125 -7.769) 9.309 13.857 ( 4.319 1.360 2.974) 5.418 13.934 ( 5.255 4.427 -3.645) 7.778 14.664 ( -2.033 -14.211 4.775) 15.129 14.697 ( -2.883 -13.545 0.276) 13.852 15.053 ( -8.076 -9.392 -0.864) 12.416 15.258 ( 4.901 -7.001 -3.303) 9.163 15.402 ( -3.614 5.691 0.392) 6.753 15.570 ( 3.208 -0.463 -0.772) 3.332 16.027 ( 3.378 -3.468 4.673) 6.728 16.209 ( 10.840 -5.994 -3.327) 12.826 16.640 ( 0.487 -1.056 0.397) 1.229 16.652 ( 0.720 -1.015 -0.383) 1.302 16.856 ( -1.793 -5.008 -0.204) 5.323 16.906 ( 3.517 -6.034 0.353) 6.993 ======================= Grid point 114 (59/70) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -10.197 10.022 -1.208) 14.348 1.773 ( -9.584 10.338 0.943) 14.129 1.995 ( -5.540 7.348 -0.766) 9.234 2.096 ( -3.656 11.633 -1.301) 12.263 2.212 ( -4.608 1.889 1.576) 5.223 2.292 ( -6.581 1.244 3.005) 7.340 2.317 ( -2.809 5.659 -1.776) 6.563 2.376 ( -8.379 3.546 -3.647) 9.802 2.448 ( -6.235 -3.426 -1.093) 7.198 2.610 ( -3.546 0.832 3.613) 5.130 2.660 ( -1.040 3.311 1.054) 3.627 2.723 ( -5.416 1.942 -1.353) 5.911 2.749 ( -0.902 4.859 2.910) 5.735 2.854 ( -1.750 3.410 2.939) 4.830 3.003 ( -9.141 4.487 -1.973) 10.373 3.018 ( -0.881 -1.747 1.161) 2.275 3.116 ( -5.837 3.927 -5.385) 8.859 3.382 ( -1.510 -1.319 -5.147) 5.523 3.419 ( -6.991 -2.283 3.083) 7.974 3.637 ( -2.581 -4.280 -0.010) 4.998 3.722 ( -0.048 4.166 -0.454) 4.191 3.771 ( -5.868 -3.968 4.607) 8.450 3.826 ( -2.052 -0.608 1.531) 2.631 3.962 ( 0.281 -4.381 1.051) 4.514 4.045 ( -2.232 -2.949 -7.970) 8.786 4.114 ( 0.404 -1.978 4.606) 5.029 4.376 ( 2.300 5.128 2.911) 6.329 4.486 ( -0.113 4.485 -2.187) 4.991 4.516 ( 2.041 4.492 0.956) 5.026 4.655 ( 3.199 2.582 -0.086) 4.112 4.682 ( -0.898 1.345 -0.651) 1.744 4.752 ( 1.689 2.659 -4.672) 5.635 4.931 ( 5.214 0.076 0.141) 5.216 4.963 ( -2.000 -1.221 2.269) 3.261 5.037 ( 0.900 0.681 -0.352) 1.183 5.116 ( 0.689 -1.923 3.565) 4.109 5.159 ( -1.707 -2.952 -7.453) 8.196 5.208 ( -0.796 -2.962 -0.898) 3.196 5.278 ( 0.918 -1.861 4.966) 5.382 5.358 ( 2.090 -3.515 3.862) 5.625 5.385 ( 2.523 -5.268 1.176) 5.958 5.472 ( -1.072 -4.180 3.235) 5.393 5.631 ( -0.475 3.506 -6.234) 7.168 5.741 ( -4.506 4.463 -1.721) 6.572 5.813 ( 0.316 2.560 2.332) 3.477 5.845 ( 0.500 -0.468 -4.034) 4.091 5.853 ( -2.377 4.352 -1.899) 5.310 6.008 ( 4.631 -1.944 0.881) 5.099 6.137 ( 2.572 4.030 3.065) 5.679 6.231 ( -1.931 4.333 3.872) 6.123 6.329 ( 5.820 0.516 -2.531) 6.368 6.491 ( 2.474 -0.645 -5.417) 5.990 6.503 ( -0.629 0.856 2.956) 3.141 6.681 ( 4.019 -0.211 1.586) 4.326 6.910 ( 0.789 0.458 2.195) 2.377 6.963 ( 0.248 2.439 0.399) 2.484 7.184 ( -4.827 4.637 -5.048) 8.384 7.231 ( -2.065 -0.649 0.911) 2.348 7.346 ( 1.620 -0.076 1.615) 2.289 7.373 ( 2.018 0.275 1.035) 2.284 7.827 ( -3.769 0.972 -5.059) 6.383 7.863 ( -0.513 0.974 4.561) 4.692 8.170 ( 0.511 0.789 1.751) 1.987 8.261 ( -2.560 0.878 -1.928) 3.323 8.305 ( 1.750 -0.966 0.375) 2.034 8.351 ( -1.495 0.805 -2.306) 2.864 8.530 ( -3.891 0.732 0.196) 3.964 8.541 ( -3.814 1.343 0.660) 4.097 8.677 ( -0.979 -2.931 1.296) 3.351 8.762 ( -1.759 0.769 -0.959) 2.146 8.879 ( -0.050 1.162 -0.005) 1.163 8.922 ( 1.800 0.932 0.696) 2.144 8.999 ( -1.034 0.578 1.635) 2.019 9.092 ( -1.361 -2.621 -2.367) 3.785 9.151 ( -2.182 -1.808 -0.597) 2.896 9.226 ( 1.873 -2.203 1.164) 3.117 9.623 ( 0.955 3.206 0.011) 3.346 9.775 ( 3.784 0.112 -0.040) 3.786 10.105 ( -3.772 -4.841 1.199) 6.253 10.147 ( -0.899 -5.810 -1.241) 6.009 10.226 ( 0.062 0.380 0.250) 0.459 10.279 ( 1.608 -1.908 0.128) 2.498 11.063 ( 0.417 0.680 -0.200) 0.822 11.082 ( 1.053 0.145 0.158) 1.075 11.689 ( -4.874 4.524 -1.246) 6.766 11.806 ( 0.239 0.366 1.502) 1.564 12.215 ( -10.392 11.155 0.323) 15.249 12.322 ( -10.224 9.359 -0.455) 13.868 12.434 ( -4.610 6.531 -0.108) 7.994 12.528 ( -6.413 6.120 -0.619) 8.886 13.009 ( -1.366 3.080 0.062) 3.370 13.047 ( -1.102 2.585 0.199) 2.817 13.543 ( 2.606 5.214 1.703) 6.072 13.610 ( 3.291 5.309 -1.965) 6.548 13.943 ( 2.652 0.604 1.152) 2.954 14.111 ( 11.165 3.830 -2.438) 12.053 14.504 ( -11.028 -16.348 -0.492) 19.726 14.688 ( -0.834 -9.360 3.543) 10.043 14.865 ( -9.754 -10.788 -1.191) 14.592 15.253 ( -4.122 -3.748 4.791) 7.348 15.484 ( 9.109 -1.478 -7.277) 11.752 15.529 ( -2.800 -7.162 0.918) 7.745 16.300 ( 19.103 4.688 5.879) 20.529 16.455 ( 12.929 -1.088 -4.862) 13.856 16.661 ( 1.551 -0.919 0.042) 1.804 16.678 ( 1.908 -0.373 0.028) 1.944 16.832 ( -0.458 -3.047 -0.600) 3.139 17.018 ( 8.404 -7.052 0.808) 11.001 ======================= Grid point 115 (60/70) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -10.492 13.603 -0.505) 17.187 1.613 ( -6.415 14.294 3.179) 15.986 1.836 ( -10.120 6.630 -4.377) 12.866 1.950 ( -10.085 11.357 -3.173) 15.516 2.067 ( -6.463 7.150 1.870) 9.818 2.140 ( -11.338 2.420 -0.430) 11.601 2.188 ( -6.554 3.318 -1.078) 7.425 2.244 ( -6.188 7.105 2.993) 9.886 2.365 ( -4.371 7.108 4.019) 9.262 2.450 ( -10.103 3.852 -1.108) 10.869 2.596 ( -5.520 3.056 1.962) 6.608 2.656 ( 0.246 2.475 0.906) 2.647 2.759 ( -2.814 9.067 3.944) 10.280 2.795 ( -1.490 4.894 -0.750) 5.171 2.805 ( -8.380 7.020 -3.053) 11.351 2.960 ( -5.456 -2.575 -4.391) 7.462 2.992 ( -5.957 5.858 -1.557) 8.499 3.251 ( -6.334 -4.827 0.259) 7.968 3.342 ( -5.464 -3.150 -2.650) 6.841 3.543 ( -6.852 -7.839 4.196) 11.225 3.555 ( -9.776 -1.422 -1.239) 9.956 3.745 ( -0.179 3.260 1.216) 3.484 3.832 ( 1.001 0.662 1.529) 1.943 3.959 ( -2.077 -5.341 -6.926) 8.989 4.034 ( 2.593 -0.786 3.809) 4.674 4.116 ( -0.513 -4.004 2.107) 4.554 4.398 ( -1.190 6.226 1.836) 6.600 4.511 ( 4.731 5.360 -0.349) 7.157 4.579 ( 3.926 5.816 -0.383) 7.027 4.674 ( 0.209 2.546 -0.611) 2.626 4.719 ( 2.340 5.569 -1.488) 6.221 4.805 ( 3.473 3.761 -5.108) 7.232 4.940 ( -0.173 -0.728 2.470) 2.581 5.015 ( -0.422 -1.522 2.582) 3.027 5.041 ( 3.031 1.997 -0.181) 3.634 5.135 ( 1.144 -1.959 0.610) 2.349 5.174 ( 2.622 -2.011 -3.448) 4.776 5.231 ( 4.211 0.291 4.726) 6.337 5.299 ( 0.016 0.828 1.127) 1.398 5.365 ( -1.030 -0.950 -0.307) 1.434 5.410 ( -0.062 -1.135 0.111) 1.142 5.511 ( 2.888 -6.805 -0.419) 7.404 5.577 ( -3.974 1.742 -0.491) 4.367 5.679 ( -1.079 5.060 -4.736) 7.014 5.803 ( -0.152 4.518 -0.477) 4.545 5.834 ( 1.710 3.942 0.058) 4.298 5.869 ( 1.584 0.430 -1.027) 1.936 6.081 ( 1.146 -1.056 1.070) 1.890 6.170 ( 0.845 1.129 0.787) 1.615 6.214 ( -1.108 1.985 3.033) 3.791 6.421 ( 2.693 1.280 0.269) 2.994 6.501 ( 0.835 -3.911 -0.386) 4.018 6.571 ( 6.213 1.929 1.176) 6.611 6.774 ( 4.515 -0.835 3.016) 5.494 6.921 ( -0.618 0.587 -6.065) 6.125 6.999 ( 2.076 2.147 5.707) 6.441 7.076 ( -3.492 6.125 -1.526) 7.214 7.193 ( -2.394 -4.428 2.122) 5.463 7.328 ( -1.638 -4.600 -5.905) 7.662 7.424 ( 1.980 -1.821 2.534) 3.696 7.738 ( -3.431 0.449 -4.180) 5.426 7.849 ( -1.410 -0.737 3.630) 3.964 8.182 ( 0.243 1.260 -1.879) 2.276 8.205 ( -3.802 2.692 2.578) 5.325 8.280 ( -0.834 -0.597 -1.283) 1.643 8.361 ( -2.792 -2.234 -0.946) 3.699 8.443 ( 0.453 3.470 -0.063) 3.500 8.533 ( 0.589 -1.326 2.142) 2.588 8.629 ( -3.771 -2.952 -2.477) 5.392 8.703 ( -3.459 -0.808 0.716) 3.624 8.852 ( -1.120 3.407 1.692) 3.966 8.968 ( 0.957 -1.758 2.344) 3.082 9.007 ( 1.455 1.199 -0.559) 1.967 9.043 ( -4.793 -1.999 -0.393) 5.208 9.104 ( -0.155 -2.232 -2.671) 3.485 9.257 ( 0.990 -1.927 0.275) 2.184 9.664 ( 2.765 3.093 0.001) 4.148 9.853 ( 3.600 -0.289 1.384) 3.868 10.008 ( -5.375 -3.011 0.750) 6.207 10.110 ( -2.555 -3.167 0.147) 4.072 10.246 ( 1.721 -0.745 -0.796) 2.037 10.320 ( 2.075 -2.961 -0.861) 3.717 11.069 ( 0.091 1.306 0.003) 1.309 11.098 ( 0.371 0.435 -0.033) 0.573 11.580 ( -5.170 6.147 -0.070) 8.033 11.782 ( -3.051 -0.033 -0.186) 3.057 12.023 ( -8.158 9.528 0.386) 12.549 12.117 ( -9.468 7.145 -0.543) 11.874 12.374 ( -1.543 4.557 -0.375) 4.825 12.427 ( -2.511 2.213 0.304) 3.361 12.978 ( -1.524 2.422 0.126) 2.864 13.016 ( -1.808 1.959 0.049) 2.666 13.573 ( 0.092 4.892 -3.396) 5.956 13.657 ( 1.019 1.212 4.133) 4.426 13.932 ( -4.415 -1.253 1.320) 4.776 14.258 ( -12.201 -16.045 -1.378) 20.204 14.304 ( 6.975 2.111 -2.320) 7.647 14.608 ( -8.724 -6.646 3.868) 11.629 14.764 ( 1.587 -9.396 -2.137) 9.765 15.128 ( -7.104 -10.334 1.268) 12.604 15.556 ( 3.618 -0.802 6.134) 7.166 15.669 ( 10.163 -4.047 -8.693) 13.973 16.593 ( 6.742 2.370 0.456) 7.161 16.696 ( 2.780 0.738 -0.371) 2.900 16.700 ( 3.824 -0.945 -1.111) 4.093 16.790 ( 15.957 1.878 3.666) 16.480 16.836 ( 2.315 2.324 -0.069) 3.281 17.259 ( 14.784 -5.901 -1.391) 15.979 ======================= Grid point 116 (61/70) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -7.047 14.568 1.866) 16.290 1.534 ( -2.757 16.619 7.279) 18.351 1.598 ( -11.599 7.747 -5.536) 15.007 1.769 ( -5.671 9.096 -4.554) 11.646 1.929 ( -7.635 7.727 0.769) 10.890 1.945 ( -6.585 9.408 -0.668) 11.503 2.076 ( -4.223 7.128 -0.231) 8.289 2.103 ( -7.112 7.783 0.975) 10.588 2.257 ( -6.062 13.140 2.657) 14.713 2.267 ( -7.376 5.541 -2.039) 9.448 2.507 ( -3.815 3.289 2.948) 5.836 2.649 ( -2.702 7.888 -0.728) 8.370 2.685 ( -2.837 7.922 1.118) 8.489 2.702 ( -0.285 4.532 2.630) 5.248 2.808 ( 0.868 7.900 4.747) 9.257 2.840 ( -3.994 1.183 -4.894) 6.427 2.900 ( -2.246 3.085 -1.056) 3.959 3.142 ( -4.452 -3.784 -3.048) 6.590 3.191 ( -7.154 -3.273 -4.438) 9.033 3.356 ( -8.551 -2.729 -2.277) 9.260 3.453 ( -3.099 -5.865 5.655) 8.717 3.712 ( -4.290 2.216 -6.688) 8.249 3.865 ( 3.779 3.330 6.595) 8.298 3.970 ( 2.260 -4.183 -1.645) 5.031 4.048 ( -0.640 1.358 1.072) 1.845 4.110 ( -0.643 -3.928 -0.872) 4.075 4.416 ( 1.716 1.130 3.919) 4.425 4.567 ( -0.306 1.947 -3.982) 4.443 4.656 ( 3.773 8.634 1.105) 9.487 4.711 ( 4.171 2.618 -1.203) 5.069 4.753 ( 2.370 4.816 -0.600) 5.401 4.856 ( 2.484 4.553 -1.170) 5.317 4.913 ( -3.234 1.270 1.387) 3.741 5.024 ( -0.180 -0.089 2.074) 2.084 5.080 ( 0.802 0.750 2.453) 2.688 5.180 ( 1.914 0.634 1.094) 2.294 5.257 ( 3.793 -1.354 -1.588) 4.330 5.274 ( -1.407 0.432 -2.924) 3.274 5.289 ( 1.034 1.434 1.669) 2.432 5.388 ( 3.719 1.960 -1.377) 4.424 5.409 ( 0.407 -0.410 0.524) 0.780 5.496 ( -2.010 4.282 -0.788) 4.795 5.544 ( -0.796 -1.000 0.168) 1.290 5.647 ( -1.085 5.124 -4.836) 7.129 5.846 ( 3.831 4.642 -2.659) 6.580 5.875 ( 1.352 2.264 1.781) 3.182 5.922 ( 4.314 1.477 1.863) 4.925 6.074 ( -1.514 -0.307 3.394) 3.729 6.155 ( -4.315 -0.282 0.759) 4.390 6.184 ( 0.038 -0.412 -0.817) 0.916 6.441 ( -0.489 0.893 1.388) 1.721 6.535 ( 1.362 -5.215 -0.931) 5.470 6.721 ( 7.666 1.267 3.049) 8.347 6.841 ( -0.139 3.003 -0.541) 3.055 6.879 ( 0.423 1.722 -1.486) 2.314 7.008 ( -1.296 4.196 1.597) 4.673 7.075 ( -0.904 -0.072 4.303) 4.398 7.137 ( -0.664 -6.347 0.066) 6.382 7.284 ( -1.902 -5.063 -2.054) 5.785 7.451 ( -0.038 -6.306 -7.118) 9.510 7.732 ( 4.146 -0.757 1.632) 4.520 7.839 ( 0.219 -1.565 2.502) 2.959 8.108 ( -4.837 2.186 2.264) 5.770 8.182 ( -1.189 -1.285 -2.683) 3.204 8.241 ( -5.450 0.017 0.927) 5.528 8.305 ( 2.178 1.667 -1.017) 2.926 8.496 ( 1.369 0.701 -2.445) 2.889 8.520 ( -3.477 -2.754 -0.561) 4.471 8.571 ( 1.294 -1.964 2.229) 3.240 8.665 ( -0.803 -1.781 1.487) 2.455 8.836 ( -1.343 1.926 0.478) 2.396 8.889 ( -6.892 -1.953 -3.071) 7.794 8.996 ( 0.437 -2.216 3.767) 4.392 9.057 ( 2.754 2.196 -0.511) 3.559 9.121 ( 1.670 -1.822 -0.836) 2.610 9.259 ( -0.939 -1.526 -0.948) 2.027 9.720 ( 2.641 1.447 0.090) 3.013 9.861 ( -4.178 -3.269 0.394) 5.320 9.966 ( 2.265 1.163 2.188) 3.357 10.064 ( -1.996 -1.372 1.840) 3.042 10.278 ( 1.534 -0.823 -1.544) 2.327 10.346 ( 0.674 -2.860 -2.587) 3.915 11.067 ( -0.150 1.737 0.321) 1.773 11.095 ( -0.498 0.870 -0.437) 1.094 11.509 ( -1.751 5.038 1.872) 5.652 11.693 ( -4.737 0.673 -2.826) 5.557 11.908 ( -3.563 6.773 0.783) 7.693 11.961 ( -5.746 5.658 -0.665) 8.092 12.368 ( 0.997 3.501 0.338) 3.656 12.421 ( 0.650 0.854 0.433) 1.157 12.956 ( -0.587 1.828 0.147) 1.925 12.981 ( -1.554 1.651 -0.017) 2.267 13.541 ( -1.714 2.345 -1.617) 3.325 13.670 ( -0.701 -3.264 3.138) 4.582 13.800 ( -7.052 -3.593 1.207) 8.006 14.013 ( -10.763 -13.389 -1.057) 17.211 14.396 ( 2.781 0.019 -2.943) 4.049 14.463 ( -5.495 -3.065 3.225) 7.071 14.816 ( 1.686 -7.182 4.690) 8.742 15.039 ( -0.763 -10.527 -7.764) 13.102 15.639 ( 2.306 0.195 9.323) 9.606 15.829 ( 6.991 -3.769 -9.727) 12.557 16.677 ( 2.691 1.554 -0.158) 3.111 16.728 ( 0.914 -0.021 -1.102) 1.432 16.747 ( 2.115 0.614 -0.194) 2.211 16.834 ( -0.150 -0.101 -1.834) 1.843 17.164 ( 13.923 6.189 11.615) 19.159 17.530 ( 11.357 -4.857 -6.907) 14.152 ======================= Grid point 117 (62/70) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.528 6.163 2.310) 6.602 1.537 ( -1.098 1.835 -1.559) 2.646 1.802 ( -1.247 9.375 3.730) 10.166 1.877 ( 0.919 2.769 -1.424) 3.247 1.946 ( 2.445 1.919 -2.262) 3.844 1.963 ( -0.200 1.525 -4.299) 4.566 2.149 ( -0.654 4.271 2.352) 4.919 2.187 ( -2.042 1.511 -0.739) 2.645 2.335 ( 3.109 8.892 2.715) 9.803 2.401 ( -1.922 4.513 -3.282) 5.902 2.570 ( 0.114 7.866 3.766) 8.722 2.649 ( -0.108 2.848 -2.994) 4.134 2.743 ( 0.922 -3.740 4.006) 5.558 2.756 ( 0.421 -2.116 2.974) 3.674 2.815 ( 1.705 0.036 5.071) 5.350 2.897 ( -0.677 -8.168 -2.853) 8.678 2.925 ( -2.746 1.133 -3.822) 4.841 2.936 ( -0.884 0.765 -5.197) 5.327 3.191 ( 2.905 4.029 5.713) 7.571 3.255 ( 2.875 -0.589 4.417) 5.303 3.447 ( -1.519 6.076 -2.368) 6.696 3.580 ( -3.632 -4.363 -10.594) 12.019 3.960 ( 2.974 1.563 3.371) 4.759 4.000 ( -2.088 2.679 -0.347) 3.415 4.025 ( 2.281 -3.946 2.148) 5.039 4.052 ( -2.388 -1.007 0.297) 2.608 4.488 ( 1.187 3.266 0.906) 3.591 4.545 ( -0.203 -1.122 -4.140) 4.294 4.773 ( -2.063 2.004 0.451) 2.912 4.812 ( -1.318 -0.497 -2.422) 2.802 4.880 ( 0.170 5.009 3.308) 6.006 4.950 ( -1.557 0.332 3.205) 3.579 4.957 ( 0.178 3.593 -2.666) 4.478 5.001 ( 1.121 0.633 -1.466) 1.951 5.160 ( 1.265 2.152 2.606) 3.609 5.201 ( -1.146 -2.551 -0.248) 2.807 5.232 ( 2.265 -0.115 2.064) 3.067 5.257 ( 0.917 -1.523 -0.204) 1.789 5.302 ( 1.159 1.470 0.540) 1.949 5.343 ( -1.278 -1.998 -3.307) 4.069 5.548 ( -1.647 2.085 1.727) 3.169 5.562 ( 0.966 0.669 1.877) 2.215 5.625 ( 0.512 5.810 -1.273) 5.970 5.684 ( 0.051 0.760 -5.182) 5.238 5.966 ( -0.238 4.793 1.254) 4.960 5.986 ( -0.744 3.252 0.147) 3.339 6.020 ( -1.105 -0.682 2.728) 3.021 6.037 ( 2.924 -1.818 1.053) 3.601 6.112 ( 0.109 0.877 1.281) 1.556 6.151 ( -0.204 -1.673 -1.510) 2.263 6.417 ( -0.521 -0.234 -0.372) 0.682 6.441 ( -0.713 -2.697 -2.217) 3.563 6.796 ( -1.565 -0.264 0.491) 1.661 6.820 ( -1.082 -2.106 -1.433) 2.767 6.962 ( -0.003 -0.256 2.488) 2.501 6.985 ( 0.175 -2.334 1.105) 2.589 7.027 ( 1.048 4.398 5.092) 6.809 7.117 ( 3.551 -3.359 0.301) 4.897 7.209 ( -0.454 0.717 -1.924) 2.103 7.284 ( -1.188 -5.041 -5.897) 7.848 7.796 ( -0.801 0.624 1.937) 2.187 7.824 ( 0.090 -1.791 -0.503) 1.863 8.056 ( -0.770 -0.317 -0.007) 0.833 8.073 ( 1.512 -1.809 -1.393) 2.739 8.280 ( 1.629 3.983 3.616) 5.621 8.349 ( -3.352 -0.052 -2.137) 3.975 8.416 ( 2.228 -0.002 1.402) 2.633 8.478 ( -1.838 -3.502 -3.471) 5.263 8.609 ( 1.841 1.619 4.239) 4.897 8.642 ( 1.797 -1.351 2.428) 3.309 8.773 ( -1.918 1.110 -3.089) 3.801 8.800 ( -2.346 -1.264 -4.615) 5.329 9.042 ( 2.008 1.915 5.607) 6.256 9.092 ( 2.384 -2.697 4.510) 5.770 9.154 ( -0.567 1.658 -4.402) 4.738 9.184 ( -2.447 -1.320 -3.393) 4.387 9.762 ( 0.949 -0.283 0.112) 0.996 9.763 ( -1.088 -0.368 0.063) 1.150 10.029 ( 0.522 0.254 2.416) 2.484 10.034 ( 0.446 -0.299 2.083) 2.151 10.281 ( -0.119 -0.183 -1.819) 1.832 10.293 ( -0.684 -1.387 -2.678) 3.092 11.096 ( 0.140 0.786 0.324) 0.862 11.101 ( -0.038 0.289 -0.119) 0.314 11.584 ( 0.739 2.793 1.588) 3.296 11.622 ( -0.753 -0.711 -1.729) 2.015 11.973 ( -0.215 2.989 0.039) 2.997 11.980 ( -0.236 2.286 -0.583) 2.371 12.448 ( 0.707 1.631 0.512) 1.850 12.453 ( -0.121 1.108 0.083) 1.118 12.980 ( -0.051 0.759 0.154) 0.776 12.983 ( 0.114 0.506 -0.076) 0.525 13.566 ( 1.168 2.386 0.500) 2.703 13.575 ( -1.389 0.723 -0.361) 1.607 13.640 ( 0.887 -5.429 1.876) 5.812 13.672 ( -0.356 -7.811 -1.056) 7.890 14.409 ( -1.111 2.432 3.126) 4.113 14.444 ( 0.288 -0.352 0.805) 0.925 14.715 ( -0.890 -1.134 1.594) 2.149 14.816 ( 1.379 -9.966 -6.526) 11.993 15.732 ( -0.719 4.498 3.872) 5.978 15.820 ( 0.533 -3.889 -3.879) 5.518 16.726 ( 0.502 0.518 -0.495) 0.875 16.732 ( 0.001 -0.039 -0.918) 0.919 16.802 ( 0.482 0.656 0.403) 0.908 16.814 ( -1.006 -0.357 -0.772) 1.317 17.440 ( 0.029 4.990 5.390) 7.345 17.540 ( 0.058 -4.664 -3.471) 5.814 ======================= Grid point 118 (63/70) ======================= q-point: ( 0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 8.621 6.881 0.462) 11.040 1.644 ( 9.937 2.494 0.188) 10.247 1.835 ( 3.996 7.372 2.389) 8.719 1.910 ( 0.763 0.482 -1.452) 1.709 1.975 ( 5.934 5.229 -4.305) 9.005 2.043 ( 5.783 -0.261 -0.828) 5.848 2.229 ( 7.070 3.276 2.395) 8.152 2.236 ( 7.078 2.712 2.164) 7.883 2.376 ( 0.027 9.822 -4.735) 10.903 2.449 ( 6.728 2.752 2.666) 7.742 2.642 ( 5.424 3.534 3.396) 7.310 2.709 ( 2.635 3.444 -2.688) 5.102 2.758 ( 4.591 -1.098 1.141) 4.856 2.802 ( -0.271 -0.993 3.824) 3.960 2.826 ( -3.645 1.013 -2.153) 4.352 2.901 ( 6.297 3.272 0.998) 7.166 2.941 ( 4.037 -4.570 -0.858) 6.157 2.992 ( 7.124 -4.253 -0.644) 8.322 3.203 ( -1.590 4.712 -2.739) 5.678 3.316 ( 2.109 -3.602 -1.558) 4.455 3.463 ( 2.659 2.984 2.167) 4.547 3.549 ( 3.374 -3.445 -2.184) 5.293 3.930 ( -3.792 1.958 -1.205) 4.434 3.975 ( -3.235 -1.776 0.911) 3.802 4.050 ( 3.433 1.600 1.313) 4.008 4.089 ( 2.741 -1.842 2.474) 4.126 4.508 ( 0.363 2.686 1.343) 3.025 4.539 ( 0.132 0.250 -5.248) 5.256 4.714 ( -3.692 2.319 3.347) 5.497 4.766 ( -2.601 -1.100 -1.511) 3.203 4.831 ( -4.557 3.072 1.058) 5.596 4.895 ( -3.763 0.588 2.678) 4.656 4.961 ( 0.615 2.779 -0.218) 2.855 5.008 ( -0.559 -1.468 -1.351) 2.072 5.113 ( -3.770 3.533 0.911) 5.246 5.176 ( -1.633 -1.866 -0.235) 2.490 5.246 ( -1.689 2.424 -0.709) 3.038 5.324 ( 2.493 -0.420 1.341) 2.862 5.342 ( 2.741 -2.000 -2.617) 4.285 5.353 ( 2.668 0.344 0.099) 2.692 5.438 ( -7.667 3.290 -0.549) 8.361 5.512 ( -5.655 -3.193 0.870) 6.552 5.617 ( -1.474 5.272 -0.548) 5.502 5.686 ( 0.042 -0.137 -1.799) 1.805 5.923 ( -2.035 4.736 1.716) 5.432 5.941 ( -2.457 1.791 -0.325) 3.058 5.999 ( -3.099 2.550 -2.680) 4.826 6.074 ( 1.037 -2.533 -0.901) 2.881 6.129 ( 1.539 -0.234 2.426) 2.883 6.148 ( -0.627 -1.697 1.100) 2.118 6.452 ( 3.154 0.361 0.168) 3.179 6.471 ( 3.866 -1.418 -0.530) 4.152 6.732 ( -2.667 1.067 2.148) 3.587 6.791 ( -0.937 -4.265 1.233) 4.538 6.916 ( -6.735 2.358 0.278) 7.142 6.996 ( -2.764 -4.699 2.447) 5.975 7.103 ( 6.225 4.732 0.039) 7.819 7.176 ( -1.093 0.851 1.198) 1.832 7.208 ( 3.142 -1.604 -5.595) 6.614 7.268 ( 3.256 -5.277 -2.098) 6.546 7.737 ( -2.461 1.474 0.312) 2.886 7.788 ( -0.963 -3.357 1.223) 3.700 8.135 ( 5.575 1.107 -0.337) 5.694 8.178 ( 5.859 -2.590 -1.551) 6.591 8.293 ( -1.196 3.631 -0.283) 3.833 8.344 ( 3.448 1.765 4.968) 6.300 8.416 ( -2.424 -0.589 -3.648) 4.420 8.465 ( 1.749 -2.804 0.891) 3.423 8.623 ( -0.857 2.104 -0.507) 2.328 8.676 ( 0.641 -2.628 -1.539) 3.112 8.794 ( 4.020 0.501 2.364) 4.690 8.809 ( 4.533 -1.230 0.277) 4.705 9.072 ( -0.325 1.976 3.070) 3.665 9.102 ( -3.101 -0.253 -1.330) 3.384 9.118 ( -1.066 0.311 -4.452) 4.588 9.155 ( 0.756 -2.268 1.841) 3.018 9.754 ( -0.193 1.931 0.257) 1.958 9.798 ( 2.319 -2.376 0.367) 3.340 10.017 ( -1.147 1.746 0.984) 2.309 10.058 ( 0.827 -2.170 0.847) 2.471 10.256 ( -1.969 -0.483 -1.254) 2.383 10.263 ( -1.529 -1.024 -1.015) 2.102 11.100 ( 0.089 0.658 0.020) 0.664 11.104 ( 0.199 0.295 0.023) 0.356 11.635 ( 3.339 1.946 0.025) 3.865 11.648 ( 3.725 0.742 -0.185) 3.803 12.018 ( 4.980 3.910 0.315) 6.340 12.043 ( 6.263 1.587 -0.036) 6.461 12.444 ( -0.191 1.924 -0.425) 1.979 12.453 ( 0.042 1.029 -0.001) 1.029 12.991 ( 1.274 1.381 0.057) 1.879 13.004 ( 1.705 0.195 -0.081) 1.718 13.590 ( 2.733 4.340 0.429) 5.147 13.664 ( 6.964 0.530 -0.195) 6.987 13.723 ( 6.566 -6.093 1.010) 9.015 13.752 ( 7.921 -8.245 -1.151) 11.492 14.390 ( -1.377 3.517 2.440) 4.497 14.461 ( 1.278 -3.246 1.455) 3.779 14.672 ( -3.258 1.541 0.665) 3.665 14.822 ( 0.573 -12.275 -4.502) 13.087 15.680 ( -4.882 4.787 3.482) 7.673 15.772 ( -4.376 -3.955 -3.375) 6.796 16.716 ( -1.778 0.737 -1.324) 2.336 16.720 ( -1.129 0.240 -0.579) 1.291 16.767 ( -3.108 0.871 -0.256) 3.238 16.789 ( -1.769 -1.193 0.647) 2.230 17.320 ( -12.406 5.037 3.681) 13.886 17.418 ( -11.130 -4.399 -2.185) 12.165 ======================= Grid point 119 (64/70) ======================= q-point: ( 0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 8.471 8.787 -1.393) 12.284 1.831 ( 7.358 4.396 1.155) 8.649 1.942 ( 5.894 4.593 -1.594) 7.641 1.999 ( 9.775 -0.458 1.115) 9.849 2.134 ( 9.581 2.509 -0.132) 9.905 2.181 ( 7.607 -1.249 0.200) 7.711 2.353 ( -0.015 8.896 -5.082) 10.246 2.386 ( 7.096 4.171 -0.396) 8.240 2.437 ( 9.086 2.497 5.011) 10.672 2.567 ( 3.756 -4.079 -0.640) 5.582 2.700 ( -4.146 1.875 -2.478) 5.181 2.724 ( -5.151 0.422 -2.292) 5.653 2.778 ( 5.222 3.114 2.891) 6.732 2.791 ( 3.523 0.892 5.796) 6.841 2.878 ( 5.665 5.398 0.794) 7.866 3.059 ( 6.941 -3.424 1.467) 7.878 3.087 ( 2.220 4.650 -5.045) 7.211 3.106 ( 8.147 -1.600 -0.305) 8.308 3.247 ( 9.744 -1.244 -2.864) 10.232 3.375 ( 6.680 -10.327 -1.370) 12.375 3.561 ( 5.730 4.110 2.562) 7.502 3.657 ( 5.558 -4.731 3.181) 7.962 3.850 ( -4.154 2.083 0.027) 4.647 3.903 ( -3.313 -1.673 0.223) 3.718 4.115 ( -0.206 1.660 -0.985) 1.941 4.125 ( 2.788 0.011 -2.379) 3.665 4.500 ( -1.772 1.631 1.577) 2.879 4.524 ( -0.122 -0.721 -2.348) 2.459 4.662 ( -1.638 3.925 2.157) 4.769 4.705 ( -2.575 0.071 -1.214) 2.848 4.756 ( -3.273 2.645 3.745) 5.634 4.819 ( -4.297 -0.737 1.283) 4.545 4.973 ( 0.061 0.758 0.873) 1.157 4.996 ( 0.067 -0.933 -1.717) 1.956 5.046 ( -3.343 5.259 1.133) 6.333 5.107 ( -6.646 2.237 -0.372) 7.022 5.194 ( -1.699 -1.084 0.430) 2.061 5.270 ( -7.442 -3.314 -2.631) 8.561 5.342 ( -3.901 -1.186 0.433) 4.100 5.362 ( 0.576 2.323 -0.604) 2.468 5.374 ( -0.744 -1.754 0.642) 2.011 5.424 ( -0.482 -3.112 -0.621) 3.210 5.605 ( 1.314 3.503 0.054) 3.742 5.678 ( -0.060 -2.056 0.795) 2.205 5.892 ( -1.596 1.582 -1.022) 2.468 5.900 ( -1.769 0.736 -1.755) 2.598 5.950 ( -0.365 7.407 -2.829) 7.938 6.058 ( -2.182 -3.123 -2.240) 4.420 6.155 ( 1.535 1.003 4.622) 4.972 6.183 ( 2.594 -0.950 3.741) 4.650 6.488 ( -0.649 2.133 -1.613) 2.752 6.527 ( 0.746 -0.381 -4.030) 4.117 6.704 ( -2.873 3.617 -0.814) 4.690 6.767 ( -2.907 1.773 2.588) 4.277 6.800 ( -1.618 -4.284 0.100) 4.581 6.882 ( -4.594 -7.291 4.357) 9.656 7.174 ( 1.564 3.168 -1.099) 3.700 7.213 ( 2.535 1.230 0.794) 2.928 7.261 ( 4.659 3.245 -2.635) 6.259 7.378 ( 5.180 -6.079 -0.885) 8.036 7.734 ( 1.862 3.616 0.619) 4.114 7.820 ( 2.948 -4.239 0.944) 5.249 8.189 ( 0.212 2.030 -0.165) 2.048 8.242 ( 0.942 -2.754 -0.748) 3.006 8.318 ( 2.332 2.890 2.105) 4.269 8.385 ( 0.708 0.936 -4.611) 4.758 8.430 ( 3.609 0.649 5.035) 6.229 8.507 ( 2.507 -2.762 -0.138) 3.733 8.598 ( -0.232 3.085 -2.988) 4.300 8.686 ( 1.567 -4.307 -2.028) 5.012 8.898 ( 4.741 1.961 2.402) 5.665 8.938 ( 6.163 -1.868 2.653) 6.965 9.034 ( -2.911 0.103 -1.386) 3.226 9.035 ( -2.838 -0.049 -1.859) 3.393 9.104 ( 0.188 2.749 -0.733) 2.852 9.170 ( 0.173 -3.089 2.279) 3.843 9.742 ( -1.266 4.270 0.229) 4.460 9.828 ( -0.310 -3.744 0.352) 3.773 10.004 ( 0.134 1.716 -0.326) 1.752 10.065 ( -0.253 -3.912 -1.017) 4.050 10.224 ( -0.580 -0.100 0.206) 0.624 10.234 ( -1.013 -1.150 0.577) 1.638 11.095 ( -0.622 0.614 -0.187) 0.894 11.101 ( -0.575 0.025 0.106) 0.586 11.706 ( 3.668 2.984 -1.224) 4.885 11.737 ( 4.016 -0.212 1.288) 4.223 12.173 ( 10.206 5.766 0.937) 11.760 12.222 ( 11.243 1.323 0.134) 11.321 12.469 ( 3.230 2.714 -0.794) 4.293 12.480 ( 3.694 1.489 -0.697) 4.044 13.026 ( 2.106 1.861 0.012) 2.810 13.044 ( 2.193 0.225 -0.127) 2.208 13.644 ( 1.474 8.217 1.955) 8.574 13.782 ( 3.941 -0.280 -2.816) 4.852 13.864 ( 5.680 -4.391 0.938) 7.241 13.940 ( 9.995 -10.574 -2.036) 14.692 14.357 ( -2.877 5.102 1.268) 5.993 14.488 ( -0.150 -6.835 3.631) 7.741 14.636 ( 2.052 3.734 -0.748) 4.326 14.847 ( 3.213 -15.853 -1.473) 16.242 15.573 ( -5.622 4.601 2.234) 7.601 15.652 ( -6.291 -3.106 -2.592) 7.479 16.623 ( -7.841 2.507 -0.432) 8.243 16.666 ( -5.702 -1.716 -0.915) 6.025 16.711 ( -2.205 1.273 -0.054) 2.547 16.745 ( -2.615 -1.984 0.422) 3.310 17.013 ( -16.173 6.182 0.779) 17.331 17.132 ( -15.464 -5.421 0.112) 16.387 ======================= Grid point 120 (65/70) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 5.359 6.733 -0.820) 8.644 1.952 ( 5.202 3.019 -0.846) 6.074 2.090 ( 7.241 5.423 1.083) 9.112 2.189 ( 7.036 -4.065 -0.172) 8.127 2.306 ( 3.558 3.226 0.542) 4.834 2.319 ( 5.717 3.138 -1.443) 6.680 2.364 ( 5.239 7.605 0.725) 9.263 2.474 ( 2.417 2.440 -3.125) 4.643 2.530 ( -3.555 1.171 -6.396) 7.411 2.595 ( -3.810 -3.566 1.669) 5.479 2.601 ( 3.269 0.049 4.119) 5.259 2.708 ( 3.364 -8.078 5.177) 10.167 2.860 ( 1.951 2.524 1.688) 3.609 2.869 ( 2.300 1.372 0.552) 2.735 3.031 ( 7.922 4.305 3.912) 9.828 3.061 ( -0.244 3.636 -8.598) 9.339 3.206 ( 2.957 -2.570 1.038) 4.053 3.215 ( 5.239 -0.911 -0.177) 5.320 3.463 ( 9.162 0.541 -1.739) 9.342 3.541 ( 6.001 -5.791 0.676) 8.367 3.683 ( 7.360 0.368 1.190) 7.465 3.742 ( 1.933 -4.337 1.018) 4.856 3.799 ( 2.036 4.087 2.617) 5.263 3.893 ( 2.148 -3.822 1.057) 4.510 4.065 ( -3.407 4.009 -4.066) 6.650 4.138 ( -1.338 -3.019 -4.344) 5.457 4.466 ( -2.172 3.244 3.488) 5.235 4.514 ( -1.551 -1.126 -0.644) 2.022 4.639 ( -2.970 3.533 2.336) 5.173 4.659 ( -5.869 1.293 -3.672) 7.042 4.690 ( -0.892 -0.005 4.616) 4.701 4.743 ( -1.686 -2.748 -4.395) 5.451 4.924 ( -2.900 3.474 2.953) 5.403 4.951 ( -4.594 2.977 1.376) 5.644 5.018 ( 0.834 0.177 1.504) 1.729 5.036 ( 0.209 -1.774 0.579) 1.878 5.125 ( -4.184 -2.208 -1.233) 4.889 5.175 ( -1.091 -3.116 -2.566) 4.182 5.279 ( -2.904 0.784 0.664) 3.080 5.336 ( -2.961 -2.895 0.926) 4.243 5.402 ( 3.358 2.476 3.300) 5.320 5.458 ( 4.057 -2.762 0.200) 4.912 5.633 ( 0.538 2.230 -3.454) 4.147 5.696 ( 0.005 -3.063 1.663) 3.486 5.859 ( -0.391 2.472 -2.570) 3.587 5.877 ( -0.057 1.038 -1.321) 1.681 5.949 ( 0.481 4.512 -1.690) 4.842 6.009 ( -1.681 -1.375 -1.899) 2.885 6.196 ( 0.561 1.438 5.632) 5.840 6.220 ( -0.742 -0.704 4.272) 4.393 6.428 ( -3.572 3.343 -2.348) 5.427 6.471 ( -2.583 0.800 -7.361) 7.842 6.646 ( -0.850 3.073 -5.260) 6.151 6.730 ( -2.620 -4.325 -5.977) 7.828 6.799 ( 2.425 2.706 8.474) 9.220 6.894 ( 1.624 -5.107 6.969) 8.791 7.214 ( 2.403 3.935 1.729) 4.924 7.260 ( 1.856 0.865 2.332) 3.103 7.322 ( 1.458 3.540 -2.715) 4.693 7.434 ( 0.548 -5.163 -2.330) 5.691 7.791 ( 3.142 4.198 2.023) 5.620 7.877 ( 2.239 -3.709 0.570) 4.370 8.193 ( 0.525 1.723 0.489) 1.867 8.235 ( -1.053 -2.248 -0.332) 2.505 8.352 ( 1.268 3.521 -0.318) 3.756 8.408 ( 1.933 0.064 -4.263) 4.681 8.499 ( 2.564 -0.784 2.350) 3.565 8.543 ( 0.867 -3.420 -0.048) 3.528 8.644 ( 4.715 4.313 -0.583) 6.417 8.736 ( 3.349 -3.945 -0.597) 5.210 8.937 ( -2.192 2.006 -1.519) 3.337 8.960 ( -3.125 -0.136 -1.115) 3.321 9.007 ( 1.376 0.759 2.725) 3.146 9.038 ( 2.388 -1.489 0.011) 2.814 9.129 ( 1.984 1.487 0.473) 2.524 9.174 ( -0.099 -2.399 1.002) 2.602 9.712 ( -1.320 4.976 0.015) 5.148 9.787 ( -3.053 -1.401 -0.446) 3.389 10.012 ( 0.208 -2.282 0.208) 2.301 10.044 ( -1.369 -4.687 -0.832) 4.953 10.233 ( 0.824 -0.007 0.505) 0.966 10.237 ( 1.285 -0.266 0.450) 1.387 11.077 ( -1.048 0.443 -0.143) 1.147 11.083 ( -1.140 -0.143 0.035) 1.150 11.762 ( 1.924 2.500 -0.236) 3.164 11.792 ( 1.219 -0.586 0.834) 1.589 12.406 ( 11.973 7.184 0.737) 13.982 12.465 ( 12.180 1.938 -0.367) 12.338 12.574 ( 7.074 4.443 -1.322) 8.457 12.604 ( 8.169 2.077 0.207) 8.431 13.069 ( 1.991 2.119 -0.063) 2.908 13.085 ( 1.776 0.574 -0.087) 1.868 13.640 ( -2.084 10.151 2.945) 10.773 13.790 ( -2.167 -0.490 -2.873) 3.632 13.910 ( -1.163 0.325 -1.224) 1.719 14.060 ( -0.559 -11.177 -4.825) 12.186 14.307 ( 0.606 5.447 4.841) 7.313 14.481 ( -0.339 -8.920 4.399) 9.952 14.764 ( 8.930 -0.445 -1.786) 9.118 14.938 ( 4.742 -15.596 -0.756) 16.319 15.503 ( -0.784 3.375 0.328) 3.480 15.548 ( -2.619 -0.869 -0.903) 2.903 16.365 ( -18.088 3.307 1.778) 18.474 16.422 ( -16.888 -2.147 -2.073) 17.150 16.673 ( -1.633 1.089 -0.216) 1.975 16.687 ( -2.814 0.288 0.338) 2.849 16.817 ( -3.585 1.365 -0.256) 3.844 16.890 ( -7.553 -5.216 0.487) 9.192 ======================= Grid point 121 (66/70) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 3.411 2.820 -0.474) 4.451 2.033 ( 2.749 0.147 -1.901) 3.345 2.186 ( 1.023 4.871 3.461) 6.063 2.241 ( 0.265 1.039 -0.126) 1.079 2.331 ( -1.077 5.491 -2.169) 6.002 2.361 ( 0.556 6.124 -2.833) 6.770 2.443 ( 1.256 -1.137 0.075) 1.696 2.481 ( 0.209 -2.780 -3.891) 4.786 2.563 ( 6.256 2.250 1.852) 6.901 2.607 ( 3.496 -2.114 6.457) 7.641 2.630 ( -1.036 -0.080 2.995) 3.171 2.757 ( -0.891 -9.281 5.811) 10.987 2.865 ( -1.136 2.691 -3.172) 4.312 2.882 ( -0.161 1.314 -2.886) 3.175 3.034 ( -0.745 3.842 -4.809) 6.200 3.103 ( -1.285 -3.802 -5.860) 7.102 3.268 ( 4.700 3.519 3.614) 6.894 3.311 ( 2.825 -1.206 2.456) 3.933 3.560 ( 2.814 0.946 0.328) 2.987 3.596 ( 1.336 -1.765 1.783) 2.843 3.820 ( 4.322 3.431 -0.443) 5.536 3.870 ( 8.583 -0.931 1.966) 8.854 3.893 ( 3.008 -0.599 1.482) 3.406 3.925 ( 1.475 -1.827 -1.785) 2.949 3.989 ( -3.308 2.086 -0.346) 3.926 4.058 ( -5.675 -4.624 -1.430) 7.459 4.414 ( -3.247 1.529 0.990) 3.724 4.460 ( -4.314 -2.182 0.773) 4.895 4.508 ( -2.616 0.818 -5.683) 6.310 4.538 ( -4.432 -2.509 -1.759) 5.388 4.713 ( 1.299 3.292 2.252) 4.195 4.763 ( 1.561 -0.290 -2.374) 2.856 4.913 ( 1.735 2.689 2.251) 3.913 4.947 ( 2.128 -2.113 4.487) 5.397 4.992 ( -2.512 1.415 1.873) 3.438 5.066 ( 0.567 -5.068 0.084) 5.100 5.095 ( 1.119 2.222 -0.732) 2.593 5.169 ( 0.318 -3.258 0.095) 3.275 5.213 ( -3.255 1.314 0.089) 3.512 5.279 ( -2.339 -3.502 0.403) 4.230 5.480 ( 1.029 2.792 6.657) 7.291 5.531 ( -1.120 -1.500 6.470) 6.736 5.614 ( 1.729 1.251 -9.554) 9.790 5.654 ( -0.122 -2.303 -7.634) 7.975 5.876 ( 1.055 2.148 -0.628) 2.474 5.894 ( 1.044 0.628 -0.597) 1.357 5.962 ( 0.896 2.806 -0.576) 3.002 5.988 ( -0.656 0.495 -1.292) 1.531 6.173 ( -2.706 1.747 5.179) 6.099 6.210 ( 0.794 -1.009 5.548) 5.695 6.374 ( -1.736 4.971 -2.976) 6.048 6.449 ( 0.718 -0.653 -6.856) 6.924 6.624 ( -0.761 2.234 -3.955) 4.606 6.664 ( -2.735 -1.156 -5.327) 6.099 6.873 ( 2.960 2.619 7.782) 8.728 6.945 ( 1.796 -3.544 5.014) 6.397 7.268 ( 2.013 3.386 3.277) 5.124 7.281 ( -0.196 3.241 2.046) 3.838 7.330 ( 0.517 1.079 -1.727) 2.101 7.401 ( -2.441 -3.752 -4.122) 6.085 7.852 ( 2.118 2.879 3.353) 4.901 7.907 ( 0.625 -2.318 0.444) 2.442 8.206 ( -0.379 0.349 0.205) 0.555 8.211 ( -0.067 -0.254 -0.897) 0.935 8.381 ( 1.562 3.199 -1.746) 3.965 8.428 ( 0.293 0.395 -3.542) 3.576 8.530 ( 0.527 -3.017 0.160) 3.067 8.548 ( -0.432 -3.045 0.150) 3.079 8.750 ( 5.587 3.666 0.572) 6.707 8.807 ( 3.556 -1.818 0.593) 4.038 8.862 ( -4.416 2.803 0.256) 5.237 8.896 ( -3.258 -0.656 -0.674) 3.391 9.042 ( 1.359 0.268 1.328) 1.919 9.073 ( 0.884 -2.052 -0.604) 2.314 9.155 ( 0.527 0.440 0.486) 0.841 9.171 ( -0.309 -0.771 0.035) 0.832 9.703 ( 0.527 3.611 -0.021) 3.650 9.729 ( -2.256 1.324 -0.187) 2.622 10.008 ( -0.452 -4.276 0.493) 4.328 10.020 ( -0.672 -5.352 -0.515) 5.419 10.254 ( 0.777 0.429 0.397) 0.972 10.260 ( 0.735 -0.081 -0.096) 0.746 11.060 ( -0.458 0.195 -0.019) 0.498 11.063 ( -0.650 -0.126 -0.040) 0.663 11.787 ( 0.773 1.388 0.412) 1.641 11.801 ( -0.138 -0.083 0.391) 0.423 12.597 ( 5.808 6.665 -0.469) 8.854 12.640 ( 3.765 2.898 -2.248) 5.256 12.724 ( 7.046 5.878 0.808) 9.211 12.756 ( 4.800 3.305 1.088) 5.928 13.099 ( 0.945 2.096 -0.063) 2.300 13.107 ( 0.240 1.401 0.013) 1.422 13.604 ( -1.184 10.199 3.602) 10.881 13.724 ( -2.574 2.400 -3.211) 4.764 13.851 ( -2.684 0.324 -0.417) 2.735 13.950 ( -5.148 -4.467 -4.755) 8.310 14.390 ( 3.853 -3.224 5.734) 7.624 14.484 ( -0.926 -9.715 3.486) 10.363 14.916 ( 5.273 -4.973 -1.950) 7.506 14.985 ( 0.661 -9.976 -3.844) 10.712 15.541 ( 4.054 3.684 0.540) 5.504 15.577 ( 3.099 0.310 0.931) 3.251 16.030 ( -11.460 2.145 1.516) 11.757 16.095 ( -12.569 -3.842 -1.596) 13.240 16.648 ( -1.071 0.763 0.324) 1.355 16.649 ( -0.628 0.529 -0.187) 0.842 16.789 ( 0.006 -1.702 -0.222) 1.717 16.805 ( -2.084 -3.256 0.110) 3.867 ======================= Grid point 122 (67/70) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -2.036 3.756 -1.849) 4.655 2.049 ( -1.621 1.407 -2.290) 3.139 2.178 ( -0.915 2.212 4.565) 5.154 2.206 ( -3.545 -0.215 1.037) 3.700 2.315 ( -2.225 6.060 -2.273) 6.844 2.363 ( 2.414 6.892 -0.929) 7.361 2.422 ( -3.880 -3.089 -0.503) 4.985 2.497 ( 0.663 -4.300 -2.139) 4.848 2.572 ( -5.021 2.032 2.043) 5.789 2.637 ( -0.806 -1.787 2.032) 2.824 2.680 ( -0.890 2.628 2.707) 3.876 2.742 ( 4.002 -2.589 4.975) 6.890 2.833 ( -1.461 1.350 -3.215) 3.781 2.882 ( 1.105 -1.170 -2.186) 2.714 3.007 ( -2.219 0.830 0.784) 2.495 3.047 ( -1.997 -3.366 -4.034) 5.620 3.312 ( -1.383 2.920 0.390) 3.255 3.349 ( 0.733 -0.704 -0.906) 1.362 3.584 ( -4.124 1.767 -1.049) 4.607 3.610 ( 0.493 -0.730 0.988) 1.324 3.810 ( -3.146 4.032 1.278) 5.271 3.853 ( -2.969 2.136 0.788) 3.742 3.889 ( -7.425 -1.326 2.350) 7.900 3.917 ( -4.648 -4.628 -0.876) 6.617 4.017 ( 3.309 -1.131 -2.011) 4.034 4.029 ( 3.985 -2.561 0.131) 4.739 4.389 ( 1.294 0.841 1.883) 2.435 4.427 ( 2.947 -2.379 1.870) 4.224 4.525 ( 3.850 1.383 -5.565) 6.907 4.552 ( 5.821 -0.885 -1.657) 6.116 4.720 ( -0.879 2.688 1.391) 3.152 4.774 ( -0.145 -1.155 -2.485) 2.744 4.942 ( -0.672 4.384 -0.433) 4.456 4.989 ( 4.191 0.083 1.053) 4.322 5.008 ( 1.259 -1.129 5.391) 5.650 5.067 ( -0.083 -6.177 -1.456) 6.347 5.082 ( -2.980 0.828 -2.049) 3.710 5.154 ( -1.386 -3.352 -1.508) 3.928 5.194 ( 0.920 1.692 4.588) 4.976 5.259 ( 0.108 -3.480 2.267) 4.154 5.412 ( -5.333 2.682 4.973) 7.770 5.469 ( -3.708 -2.312 4.853) 6.531 5.688 ( 4.763 2.448 -8.237) 9.824 5.727 ( 6.498 -1.259 -8.063) 10.432 5.870 ( -1.900 1.438 0.671) 2.476 5.880 ( -1.766 0.623 -0.280) 1.894 5.961 ( -1.419 1.917 -0.396) 2.418 5.975 ( 0.179 0.609 -0.266) 0.689 6.183 ( 1.971 4.948 5.982) 8.009 6.255 ( 2.499 -1.151 2.193) 3.519 6.340 ( -1.011 4.858 -1.137) 5.091 6.439 ( -0.194 -3.476 -7.119) 7.924 6.593 ( -1.788 2.839 -0.959) 3.490 6.626 ( 0.067 -0.324 -2.475) 2.497 6.922 ( 0.004 1.490 5.711) 5.902 6.961 ( -0.745 -2.035 1.307) 2.531 7.276 ( -0.515 2.156 3.011) 3.739 7.299 ( 0.110 0.553 2.845) 2.901 7.342 ( 1.131 1.507 -1.321) 2.301 7.358 ( -0.581 -0.513 -4.623) 4.687 7.879 ( -0.314 1.072 3.043) 3.242 7.898 ( -1.613 -0.756 -0.188) 1.792 8.190 ( -0.384 1.349 0.391) 1.456 8.222 ( 0.671 -1.688 -1.168) 2.159 8.374 ( -2.405 2.295 -0.985) 3.467 8.411 ( -1.067 0.651 -2.182) 2.515 8.512 ( -0.890 -1.002 0.410) 1.401 8.571 ( 1.967 -4.567 -0.886) 5.051 8.754 ( -5.816 3.348 0.340) 6.719 8.805 ( -4.149 -1.762 0.756) 4.571 8.866 ( 4.843 3.216 0.046) 5.814 8.893 ( 3.044 0.168 -0.545) 3.097 9.046 ( -1.404 0.017 1.163) 1.823 9.074 ( -0.387 -2.471 -0.743) 2.610 9.157 ( -0.491 0.244 0.432) 0.697 9.166 ( 0.077 -0.618 0.265) 0.677 9.701 ( -0.498 3.633 0.071) 3.667 9.730 ( 2.001 1.185 -0.226) 2.336 10.008 ( 0.439 -4.308 0.522) 4.362 10.019 ( 0.631 -5.125 -0.499) 5.187 10.253 ( -0.838 0.605 0.316) 1.081 10.263 ( -0.420 -0.284 -0.137) 0.526 11.060 ( 0.394 0.096 -0.070) 0.412 11.062 ( 0.636 -0.046 0.055) 0.640 11.793 ( -0.661 0.983 -0.028) 1.184 11.800 ( 0.480 0.323 0.482) 0.753 12.593 ( -6.303 6.138 -0.126) 8.799 12.622 ( -4.537 3.690 -1.000) 5.932 12.736 ( -6.580 5.780 -0.252) 8.762 12.765 ( -3.991 3.198 0.599) 5.149 13.095 ( -1.091 2.172 0.189) 2.438 13.106 ( -0.548 1.194 0.075) 1.316 13.622 ( 1.862 8.963 4.053) 10.011 13.712 ( 2.178 6.195 -4.514) 7.969 13.842 ( 1.706 -1.648 0.887) 2.533 13.950 ( 6.268 -4.922 -4.929) 9.371 14.418 ( -4.048 -5.380 4.695) 8.208 14.461 ( -0.027 -7.994 4.193) 9.026 14.899 ( -5.240 -2.695 -1.712) 6.136 15.014 ( 1.458 -12.360 -4.811) 13.343 15.521 ( -5.174 4.832 1.646) 7.268 15.578 ( -3.771 -0.590 0.970) 3.938 16.031 ( 11.647 2.747 1.191) 12.025 16.105 ( 13.231 -4.193 -1.899) 14.009 16.643 ( 0.547 0.857 0.292) 1.058 16.652 ( 0.884 0.295 -0.024) 0.932 16.785 ( -0.004 -1.465 -0.010) 1.465 16.808 ( 2.031 -3.373 -0.077) 3.938 ======================= Grid point 123 (68/70) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -5.241 8.845 -3.005) 10.711 1.965 ( -5.181 6.871 -0.788) 8.642 2.094 ( -6.903 1.342 0.449) 7.046 2.159 ( -4.518 -5.543 2.244) 7.495 2.271 ( -3.977 1.572 1.541) 4.545 2.307 ( -5.155 0.769 -0.714) 5.261 2.362 ( -5.833 3.998 1.688) 7.270 2.454 ( -2.354 0.314 -2.375) 3.359 2.482 ( -2.256 6.194 -0.734) 6.633 2.607 ( -0.604 -4.414 2.386) 5.054 2.663 ( -1.398 3.294 -0.862) 3.680 2.758 ( -4.271 -1.878 -1.442) 4.884 2.852 ( 2.017 4.341 2.099) 5.227 2.894 ( -0.534 0.230 1.105) 1.249 2.954 ( -1.861 -0.369 2.114) 2.841 3.012 ( -2.552 -3.267 0.421) 4.167 3.232 ( -6.335 5.265 -3.701) 9.031 3.321 ( -3.108 -3.792 -3.702) 6.143 3.435 ( -9.391 3.827 -0.145) 10.142 3.543 ( -6.928 -5.435 0.600) 8.826 3.702 ( -8.538 -0.633 0.310) 8.567 3.745 ( -2.921 -3.152 0.337) 4.311 3.831 ( -1.152 2.869 0.880) 3.215 3.890 ( 2.042 -2.695 3.006) 4.524 4.023 ( -1.223 0.592 -4.008) 4.232 4.061 ( -0.355 -2.707 1.267) 3.010 4.471 ( 5.105 3.955 2.265) 6.843 4.534 ( 4.877 -1.167 0.301) 5.023 4.617 ( 2.153 4.703 -1.015) 5.271 4.667 ( 2.921 1.463 1.548) 3.616 4.729 ( 5.293 0.861 -3.459) 6.382 4.767 ( 3.258 -1.771 -2.320) 4.375 4.964 ( 1.353 2.935 0.290) 3.245 5.000 ( -1.867 3.736 -2.188) 4.715 5.024 ( -0.097 -1.644 2.766) 3.219 5.050 ( -0.509 -3.720 -0.672) 3.814 5.090 ( 4.218 -1.332 0.358) 4.438 5.132 ( 0.763 -4.419 -1.417) 4.703 5.253 ( 3.357 -0.312 4.815) 5.878 5.289 ( 1.987 -3.345 4.706) 6.106 5.360 ( -0.688 2.547 2.200) 3.435 5.416 ( -2.203 -2.305 1.412) 3.487 5.714 ( -1.178 4.222 -5.157) 6.768 5.787 ( -1.802 -2.146 -3.165) 4.227 5.851 ( 1.824 2.008 -3.867) 4.723 5.860 ( 0.468 1.294 -0.473) 1.455 5.934 ( -0.851 3.493 0.308) 3.608 5.983 ( 1.508 -1.147 0.393) 1.936 6.234 ( 1.222 4.428 2.637) 5.297 6.289 ( -1.484 -0.250 3.198) 3.534 6.357 ( 4.574 3.369 -1.743) 5.941 6.439 ( 1.685 -3.655 -4.470) 6.015 6.563 ( -0.661 4.079 1.326) 4.340 6.645 ( 1.787 -3.268 1.090) 3.881 6.908 ( -1.169 0.189 0.550) 1.306 6.942 ( -0.838 -2.821 1.577) 3.338 7.265 ( -2.612 2.800 -0.810) 3.914 7.269 ( -2.140 2.536 1.152) 3.512 7.332 ( -1.895 0.101 -4.288) 4.689 7.370 ( 0.812 -1.629 2.525) 3.113 7.837 ( -3.664 0.676 -1.407) 3.983 7.859 ( -2.328 -1.050 2.297) 3.435 8.197 ( 0.897 1.790 0.459) 2.054 8.239 ( 1.233 -2.104 -0.695) 2.535 8.321 ( -2.263 2.151 0.393) 3.147 8.365 ( -2.734 -0.944 0.355) 2.914 8.510 ( -0.050 1.509 -0.545) 1.605 8.590 ( -0.229 -4.773 -1.789) 5.102 8.633 ( -5.882 4.475 0.147) 7.392 8.721 ( -4.041 -3.715 0.302) 5.498 8.921 ( 0.484 1.897 -0.140) 1.963 8.939 ( 1.234 0.227 0.387) 1.313 9.021 ( -0.765 1.420 1.464) 2.178 9.051 ( -1.563 -1.514 -1.161) 2.466 9.142 ( -1.063 0.938 -0.218) 1.434 9.179 ( 1.275 -2.276 0.759) 2.717 9.709 ( 1.186 4.628 0.179) 4.781 9.776 ( 2.511 -1.067 0.152) 2.732 10.012 ( -0.661 -2.557 0.311) 2.659 10.036 ( 0.851 -4.208 -0.445) 4.316 10.236 ( -0.583 0.577 0.111) 0.828 10.252 ( -0.143 -1.002 -0.242) 1.041 11.075 ( 0.915 0.448 -0.033) 1.019 11.081 ( 1.136 -0.185 0.106) 1.156 11.766 ( -2.359 2.759 -0.378) 3.650 11.802 ( -0.687 -0.856 0.171) 1.111 12.408 ( -11.108 6.585 0.676) 12.931 12.454 ( -11.249 2.412 0.287) 11.508 12.567 ( -8.226 5.439 -0.885) 9.901 12.615 ( -8.983 1.267 -0.470) 9.085 13.065 ( -1.907 2.024 0.179) 2.787 13.081 ( -1.807 0.532 0.160) 1.890 13.673 ( 1.967 7.546 3.231) 8.441 13.754 ( 1.558 6.744 -3.774) 7.883 13.886 ( 0.569 -3.051 1.099) 3.293 14.063 ( 1.662 -12.418 -4.793) 13.415 14.338 ( -1.290 4.201 2.879) 5.253 14.484 ( 1.530 -8.912 4.087) 9.923 14.749 ( -8.455 1.655 -1.105) 8.686 14.961 ( -5.938 -16.737 -2.017) 17.873 15.493 ( 2.526 3.283 0.845) 4.228 15.535 ( 1.574 -0.321 -0.076) 1.608 16.381 ( 19.096 2.939 1.279) 19.363 16.426 ( 16.389 -1.691 -2.736) 16.702 16.668 ( 1.853 1.082 0.137) 2.150 16.685 ( 2.417 0.023 0.397) 2.450 16.811 ( 3.226 1.606 0.085) 3.605 16.891 ( 7.357 -5.377 0.435) 9.123 ======================= Grid point 124 (69/70) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -9.426 10.820 -1.222) 14.402 1.876 ( -3.220 9.197 -1.261) 9.826 1.920 ( -10.572 1.327 -0.674) 10.676 2.024 ( -7.724 -1.481 -0.489) 7.880 2.132 ( -9.039 -1.487 1.921) 9.360 2.152 ( -8.582 -3.390 -0.155) 9.229 2.278 ( -2.613 8.308 1.380) 8.818 2.370 ( -5.707 0.728 0.100) 5.754 2.466 ( -3.105 6.031 1.862) 7.034 2.584 ( -6.082 -0.375 -3.353) 6.955 2.622 ( 0.842 5.569 5.901) 8.158 2.694 ( 0.103 0.598 -1.043) 1.206 2.846 ( -2.758 1.952 -0.499) 3.416 2.860 ( -3.447 0.285 -0.264) 3.468 2.914 ( -6.462 2.828 -1.741) 7.265 2.947 ( 0.399 0.564 4.389) 4.443 3.078 ( -6.770 2.767 -0.516) 7.331 3.193 ( -8.656 -8.322 -5.877) 13.369 3.230 ( -9.891 3.158 -1.631) 10.510 3.355 ( -9.932 -8.236 0.684) 12.921 3.596 ( -3.559 4.489 -0.248) 5.734 3.723 ( -0.243 -6.733 0.290) 6.743 3.860 ( 3.165 3.829 -0.874) 5.044 3.918 ( 0.423 -0.774 -2.850) 2.984 4.021 ( 2.180 -0.064 5.533) 5.947 4.046 ( -1.139 -2.376 3.058) 4.037 4.502 ( -2.147 4.401 -0.342) 4.909 4.577 ( 0.430 -1.155 -2.610) 2.887 4.655 ( 4.010 2.728 0.872) 4.928 4.706 ( 2.719 0.526 -1.071) 2.969 4.858 ( 5.900 4.710 -1.196) 7.643 4.879 ( 3.730 3.234 -3.646) 6.137 4.948 ( -0.540 1.998 1.840) 2.769 4.997 ( -0.774 -0.330 -0.161) 0.856 5.053 ( 3.372 -2.017 4.141) 5.709 5.073 ( 2.613 -1.426 -1.928) 3.547 5.166 ( 4.982 1.128 0.405) 5.124 5.214 ( 4.538 -2.284 2.433) 5.633 5.321 ( 1.529 0.523 2.080) 2.634 5.340 ( 2.868 -1.477 0.440) 3.256 5.379 ( 3.044 -2.393 1.170) 4.045 5.394 ( -0.105 -1.345 -0.685) 1.513 5.655 ( -2.916 4.713 -2.346) 6.018 5.729 ( -1.649 -1.208 -2.813) 3.477 5.869 ( 0.827 2.205 0.863) 2.508 5.885 ( 1.848 0.808 -1.100) 2.297 5.947 ( 2.050 5.393 -1.397) 5.936 6.037 ( 2.793 -3.150 -0.738) 4.274 6.212 ( -2.909 2.351 -0.108) 3.742 6.241 ( -3.481 0.010 0.908) 3.597 6.440 ( 1.996 0.912 0.816) 2.341 6.461 ( 0.225 -0.873 0.109) 0.908 6.628 ( 6.939 3.933 3.070) 8.546 6.718 ( 5.209 -3.962 3.156) 7.266 6.894 ( 0.339 -0.719 -3.357) 3.450 6.953 ( 1.760 -5.528 1.539) 6.002 7.163 ( -6.021 3.809 -1.522) 7.286 7.214 ( -4.786 1.507 1.180) 5.154 7.269 ( -2.892 1.147 -3.923) 5.007 7.362 ( -1.931 -4.525 0.680) 4.966 7.760 ( -3.040 2.010 -1.301) 3.870 7.813 ( -2.337 -2.564 1.691) 3.859 8.206 ( -0.669 1.419 -1.479) 2.156 8.245 ( -2.442 -2.153 -0.956) 3.394 8.287 ( 0.075 3.887 3.298) 5.098 8.337 ( -0.777 -0.531 1.077) 1.430 8.501 ( -0.433 -0.345 -1.022) 1.163 8.536 ( -3.187 2.972 1.671) 4.668 8.555 ( -2.554 -2.068 -4.312) 5.421 8.642 ( -3.466 -4.473 1.153) 5.775 8.917 ( -0.896 2.645 1.079) 2.994 8.952 ( -0.031 -0.486 3.937) 3.967 8.989 ( -3.312 -0.096 -1.636) 3.695 9.018 ( -0.832 -2.082 -0.681) 2.343 9.136 ( 0.865 3.780 -1.473) 4.148 9.208 ( 1.273 -2.988 -0.509) 3.287 9.739 ( 1.336 4.000 0.409) 4.237 9.819 ( 0.955 -3.283 0.895) 3.534 9.986 ( -1.195 1.156 0.643) 1.783 10.038 ( -0.591 -3.391 0.480) 3.475 10.242 ( 1.260 0.426 -0.856) 1.582 10.267 ( 1.519 -2.001 -1.194) 2.781 11.090 ( 0.528 0.784 0.112) 0.952 11.100 ( 0.611 -0.177 0.112) 0.646 11.693 ( -4.560 4.529 -0.079) 6.427 11.761 ( -3.486 -2.078 -0.469) 4.085 12.189 ( -10.118 5.600 0.146) 11.565 12.224 ( -10.773 2.306 -0.113) 11.018 12.452 ( -2.896 2.653 0.146) 3.930 12.470 ( -4.468 1.063 -0.121) 4.594 13.024 ( -2.038 1.763 0.141) 2.699 13.041 ( -2.116 0.263 0.081) 2.134 13.687 ( -1.645 5.718 2.049) 6.293 13.724 ( -3.970 6.267 -2.321) 7.773 13.835 ( -5.690 -6.334 2.444) 8.859 13.950 ( -9.314 -13.119 -2.101) 16.226 14.396 ( 3.772 5.582 -1.139) 6.833 14.494 ( -3.190 -4.501 3.159) 6.357 14.645 ( 0.702 0.796 -0.885) 1.381 14.835 ( -4.580 -14.784 -0.969) 15.508 15.587 ( 5.512 2.754 2.821) 6.777 15.633 ( 7.252 -1.452 -2.877) 7.936 16.631 ( 6.351 1.709 -0.855) 6.632 16.668 ( 5.628 -1.770 -1.115) 6.004 16.714 ( 2.715 1.250 -0.341) 3.009 16.751 ( 3.746 -2.223 0.070) 4.357 16.990 ( 15.460 7.945 2.108) 17.509 17.136 ( 15.832 -6.305 -0.060) 17.041 ======================= Grid point 125 (70/70) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -8.974 8.819 0.773) 12.606 1.679 ( -11.204 -0.264 -1.486) 11.305 1.841 ( -1.909 11.763 3.109) 12.316 1.902 ( -3.088 5.063 -3.423) 6.847 1.965 ( -5.976 -1.282 -0.640) 6.145 2.020 ( -4.613 -2.893 -1.265) 5.590 2.220 ( -4.978 4.478 2.282) 7.074 2.265 ( -3.803 1.068 1.099) 4.100 2.346 ( -5.611 9.987 -1.175) 11.515 2.472 ( -4.429 -0.726 -1.146) 4.632 2.620 ( -3.670 10.362 4.891) 12.032 2.714 ( -0.629 3.183 -0.600) 3.300 2.743 ( -4.799 -1.154 0.964) 5.029 2.764 ( -2.928 1.399 1.997) 3.810 2.805 ( -2.637 0.072 0.803) 2.757 2.973 ( -2.498 4.246 -2.767) 5.650 2.991 ( -4.549 -9.815 -1.348) 10.902 2.998 ( -4.671 -1.654 -2.170) 5.409 3.124 ( 0.492 3.363 0.780) 3.487 3.226 ( -2.399 -6.863 4.165) 8.378 3.517 ( -3.968 7.620 -3.217) 9.174 3.678 ( -3.560 -6.423 -8.076) 10.916 3.897 ( 2.144 2.875 1.661) 3.952 3.968 ( 2.988 -0.890 0.924) 3.252 4.033 ( -0.855 0.174 2.422) 2.574 4.072 ( 0.538 -1.147 3.822) 4.026 4.473 ( -0.233 4.354 0.717) 4.419 4.564 ( -0.701 -3.194 -3.525) 4.808 4.748 ( 4.429 3.346 0.280) 5.558 4.782 ( 4.540 1.355 -1.747) 5.050 4.875 ( -1.197 6.031 -1.269) 6.278 4.948 ( 1.256 3.320 0.418) 3.574 4.959 ( 1.032 0.667 -0.108) 1.233 4.979 ( 0.315 -2.335 -1.182) 2.636 5.107 ( 2.235 1.913 1.931) 3.519 5.148 ( 3.835 -2.090 0.533) 4.400 5.245 ( 0.306 -1.131 0.272) 1.203 5.250 ( -0.611 -1.589 3.518) 3.908 5.319 ( -1.087 1.972 0.131) 2.256 5.371 ( -1.040 -2.818 -1.537) 3.374 5.442 ( 7.498 3.258 -0.130) 8.176 5.504 ( 5.982 -2.493 1.970) 6.773 5.623 ( -0.089 6.439 -1.079) 6.529 5.707 ( -0.711 -0.436 -4.022) 4.108 5.911 ( 2.901 2.392 2.992) 4.805 5.938 ( 3.659 0.113 1.913) 4.131 5.988 ( 2.114 5.598 -3.314) 6.840 6.060 ( -0.692 -1.453 -0.217) 1.624 6.153 ( -3.975 0.080 0.569) 4.017 6.169 ( -1.791 -1.226 -0.178) 2.178 6.445 ( -1.093 -0.065 0.944) 1.446 6.459 ( -0.366 -1.745 -0.175) 1.792 6.757 ( 3.963 2.170 0.974) 4.622 6.812 ( 2.310 -2.874 0.586) 3.734 6.934 ( 4.891 1.409 -2.034) 5.481 7.012 ( 1.943 -5.590 3.238) 6.746 7.038 ( -6.057 2.644 2.298) 6.997 7.105 ( -4.510 -0.825 1.457) 4.811 7.222 ( -0.975 1.476 -3.128) 3.594 7.316 ( -1.612 -6.212 -3.989) 7.557 7.743 ( 1.995 1.949 0.190) 2.796 7.796 ( 0.918 -2.642 0.523) 2.845 8.143 ( -5.867 0.494 -0.311) 5.895 8.157 ( -5.232 -1.015 -0.670) 5.371 8.275 ( -2.013 4.322 1.424) 4.976 8.352 ( 2.830 0.197 2.100) 3.529 8.447 ( -5.094 -1.361 -4.009) 6.624 8.500 ( 0.066 -3.190 -2.030) 3.782 8.554 ( 2.304 2.474 3.670) 4.990 8.616 ( 0.104 -2.914 2.733) 3.996 8.856 ( -4.641 1.376 -2.440) 5.420 8.886 ( -4.891 -0.929 -4.421) 6.658 8.986 ( 2.024 1.686 5.592) 6.182 9.037 ( 1.998 -2.651 2.886) 4.398 9.155 ( 1.020 3.313 -2.727) 4.410 9.218 ( -0.251 -2.581 -2.068) 3.317 9.755 ( 0.220 1.928 0.265) 1.959 9.800 ( -2.266 -2.567 0.277) 3.435 9.995 ( 1.478 1.619 2.022) 2.982 10.031 ( -0.152 -1.751 2.044) 2.696 10.270 ( 1.441 0.202 -1.887) 2.383 10.293 ( 1.120 -2.019 -2.359) 3.301 11.095 ( -0.024 0.917 0.264) 0.954 11.104 ( -0.148 0.014 0.027) 0.152 11.609 ( -3.270 4.337 0.824) 5.493 11.677 ( -4.024 -2.142 -1.139) 4.698 12.029 ( -5.526 4.074 -0.319) 6.873 12.050 ( -6.293 2.127 -0.448) 6.658 12.430 ( 0.348 2.084 0.387) 2.148 12.443 ( 0.588 0.687 0.522) 1.044 12.990 ( -1.230 1.319 0.104) 1.806 13.002 ( -1.621 0.255 0.037) 1.641 13.608 ( -4.749 4.829 -1.202) 6.879 13.638 ( -3.970 0.718 1.899) 4.459 13.701 ( -6.735 -4.903 1.387) 8.446 13.763 ( -7.853 -10.190 -0.963) 12.901 14.427 ( -0.967 2.000 1.431) 2.642 14.442 ( -0.553 0.584 1.132) 1.389 14.697 ( 2.371 -2.017 0.860) 3.230 14.799 ( 0.870 -10.565 -4.495) 11.514 15.692 ( 3.719 3.723 3.628) 6.392 15.764 ( 5.626 -3.104 -3.773) 7.451 16.703 ( 1.952 1.056 -0.335) 2.245 16.721 ( 1.329 -0.633 -0.769) 1.661 16.769 ( 2.539 1.547 -0.220) 2.981 16.807 ( 1.782 -1.933 -0.776) 2.741 17.301 ( 12.240 6.591 4.212) 14.525 17.425 ( 11.437 -5.478 -2.025) 12.842 =================== 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 3/26244 10.0 129.940 141.775 92.408 0.000 23.750 0.000 3/26244 20.0 31.348 27.661 17.221 0.000 4.403 0.000 3/26244 30.0 14.410 12.274 7.031 0.000 1.806 0.000 3/26244 40.0 8.462 7.111 3.974 0.000 1.008 0.000 3/26244 50.0 5.707 4.759 2.649 0.000 0.658 0.000 3/26244 60.0 4.214 3.498 1.955 0.000 0.476 0.000 3/26244 70.0 3.311 2.741 1.544 0.000 0.368 0.000 3/26244 80.0 2.720 2.248 1.277 0.000 0.300 0.000 3/26244 90.0 2.307 1.905 1.092 0.000 0.252 0.000 3/26244 100.0 2.007 1.656 0.957 0.000 0.218 0.000 3/26244 110.0 1.779 1.467 0.854 0.000 0.192 0.000 3/26244 120.0 1.601 1.320 0.774 0.000 0.172 0.000 3/26244 130.0 1.458 1.203 0.709 0.000 0.155 0.000 3/26244 140.0 1.341 1.106 0.656 0.000 0.142 0.000 3/26244 150.0 1.244 1.026 0.611 0.000 0.130 0.000 3/26244 160.0 1.162 0.958 0.573 0.000 0.121 0.000 3/26244 170.0 1.092 0.899 0.541 0.000 0.112 0.000 3/26244 180.0 1.030 0.849 0.512 0.000 0.105 0.000 3/26244 190.0 0.976 0.804 0.487 0.000 0.098 0.000 3/26244 200.0 0.929 0.764 0.464 0.000 0.093 0.000 3/26244 210.0 0.886 0.728 0.444 0.000 0.087 0.000 3/26244 220.0 0.847 0.696 0.425 0.000 0.083 0.000 3/26244 230.0 0.812 0.667 0.408 0.000 0.079 0.000 3/26244 240.0 0.780 0.640 0.393 0.000 0.075 0.000 3/26244 250.0 0.751 0.616 0.379 0.000 0.071 0.000 3/26244 260.0 0.724 0.593 0.366 0.000 0.068 0.000 3/26244 270.0 0.699 0.573 0.354 0.000 0.065 0.000 3/26244 280.0 0.675 0.553 0.342 0.000 0.063 0.000 3/26244 290.0 0.653 0.535 0.332 0.000 0.060 0.000 3/26244 300.0 0.633 0.518 0.322 0.000 0.058 0.000 3/26244 310.0 0.614 0.502 0.312 0.000 0.056 0.000 3/26244 320.0 0.596 0.487 0.303 0.000 0.054 0.000 3/26244 330.0 0.579 0.473 0.295 0.000 0.052 0.000 3/26244 340.0 0.563 0.460 0.287 0.000 0.050 0.000 3/26244 350.0 0.548 0.448 0.280 0.000 0.049 0.000 3/26244 360.0 0.534 0.436 0.273 0.000 0.047 0.000 3/26244 370.0 0.520 0.425 0.266 0.000 0.046 0.000 3/26244 380.0 0.508 0.414 0.259 0.000 0.045 0.000 3/26244 390.0 0.495 0.404 0.253 0.000 0.043 0.000 3/26244 400.0 0.484 0.394 0.247 0.000 0.042 0.000 3/26244 410.0 0.473 0.385 0.242 0.000 0.041 0.000 3/26244 420.0 0.462 0.376 0.237 0.000 0.040 0.000 3/26244 430.0 0.452 0.368 0.231 0.000 0.039 0.000 3/26244 440.0 0.442 0.360 0.227 0.000 0.038 0.000 3/26244 450.0 0.433 0.352 0.222 0.000 0.037 0.000 3/26244 460.0 0.424 0.345 0.217 0.000 0.036 0.000 3/26244 470.0 0.415 0.338 0.213 0.000 0.035 0.000 3/26244 480.0 0.407 0.331 0.209 0.000 0.035 0.000 3/26244 490.0 0.399 0.325 0.205 0.000 0.034 0.000 3/26244 500.0 0.391 0.318 0.201 0.000 0.033 0.000 3/26244 510.0 0.384 0.312 0.197 0.000 0.032 0.000 3/26244 520.0 0.377 0.306 0.194 0.000 0.032 0.000 3/26244 530.0 0.370 0.301 0.190 0.000 0.031 0.000 3/26244 540.0 0.364 0.295 0.187 0.000 0.031 0.000 3/26244 550.0 0.357 0.290 0.184 0.000 0.030 0.000 3/26244 560.0 0.351 0.285 0.180 0.000 0.029 0.000 3/26244 570.0 0.345 0.280 0.177 0.000 0.029 0.000 3/26244 580.0 0.339 0.276 0.175 0.000 0.028 0.000 3/26244 590.0 0.334 0.271 0.172 0.000 0.028 0.000 3/26244 600.0 0.328 0.267 0.169 0.000 0.027 0.000 3/26244 610.0 0.323 0.262 0.166 0.000 0.027 0.000 3/26244 620.0 0.318 0.258 0.164 0.000 0.026 0.000 3/26244 630.0 0.313 0.254 0.161 0.000 0.026 0.000 3/26244 640.0 0.309 0.250 0.159 0.000 0.026 0.000 3/26244 650.0 0.304 0.247 0.156 0.000 0.025 0.000 3/26244 660.0 0.299 0.243 0.154 0.000 0.025 0.000 3/26244 670.0 0.295 0.240 0.152 0.000 0.024 0.000 3/26244 680.0 0.291 0.236 0.150 0.000 0.024 0.000 3/26244 690.0 0.287 0.233 0.148 0.000 0.024 0.000 3/26244 700.0 0.283 0.229 0.146 0.000 0.023 0.000 3/26244 710.0 0.279 0.226 0.144 0.000 0.023 0.000 3/26244 720.0 0.275 0.223 0.142 0.000 0.023 0.000 3/26244 730.0 0.271 0.220 0.140 0.000 0.022 0.000 3/26244 740.0 0.268 0.217 0.138 0.000 0.022 0.000 3/26244 750.0 0.264 0.214 0.136 0.000 0.022 0.000 3/26244 760.0 0.261 0.212 0.135 0.000 0.021 0.000 3/26244 770.0 0.258 0.209 0.133 0.000 0.021 0.000 3/26244 780.0 0.254 0.206 0.131 0.000 0.021 0.000 3/26244 790.0 0.251 0.204 0.130 0.000 0.021 0.000 3/26244 800.0 0.248 0.201 0.128 0.000 0.020 0.000 3/26244 810.0 0.245 0.199 0.126 0.000 0.020 0.000 3/26244 820.0 0.242 0.196 0.125 0.000 0.020 0.000 3/26244 830.0 0.239 0.194 0.123 0.000 0.020 0.000 3/26244 840.0 0.237 0.192 0.122 0.000 0.019 0.000 3/26244 850.0 0.234 0.190 0.121 0.000 0.019 0.000 3/26244 860.0 0.231 0.187 0.119 0.000 0.019 0.000 3/26244 870.0 0.229 0.185 0.118 0.000 0.019 0.000 3/26244 880.0 0.226 0.183 0.117 0.000 0.018 0.000 3/26244 890.0 0.224 0.181 0.115 0.000 0.018 0.000 3/26244 900.0 0.221 0.179 0.114 0.000 0.018 0.000 3/26244 910.0 0.219 0.177 0.113 0.000 0.018 0.000 3/26244 920.0 0.216 0.175 0.112 0.000 0.018 0.000 3/26244 930.0 0.214 0.174 0.110 0.000 0.017 0.000 3/26244 940.0 0.212 0.172 0.109 0.000 0.017 0.000 3/26244 950.0 0.210 0.170 0.108 0.000 0.017 0.000 3/26244 960.0 0.208 0.168 0.107 0.000 0.017 0.000 3/26244 970.0 0.205 0.166 0.106 0.000 0.017 0.000 3/26244 980.0 0.203 0.165 0.105 0.000 0.016 0.000 3/26244 990.0 0.201 0.163 0.104 0.000 0.016 0.000 3/26244 1000.0 0.199 0.162 0.103 0.000 0.016 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m993.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:27:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|