----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:09:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.908334312466264 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.126991845722731 0.000000000000000 7.284876491480230 Atomic positions (fractional): *1 S 0.77768755598245 0.44647964114566 0.66127865114391 32.065 2 S 0.22231244401755 0.94647964114566 0.83872134885609 32.065 3 S 0.22231244401755 0.55352035885434 0.33872134885609 32.065 4 S 0.77768755598245 0.05352035885434 0.16127865114391 32.065 *5 S 0.59995873444304 0.12851025568018 0.64974652299843 32.065 6 S 0.40004126555696 0.62851025568018 0.85025347700157 32.065 7 S 0.40004126555696 0.87148974431982 0.35025347700157 32.065 *8 S 0.87360866916678 0.78184233679015 0.13770181857443 32.065 9 S 0.87360866916678 0.71815766320985 0.63770181857442 32.065 10 S 0.12639133083322 0.21815766320985 0.86229818142558 32.065 11 S 0.12639133083322 0.28184233679015 0.36229818142558 32.065 12 S 0.59995873444304 0.37148974431982 0.14974652299843 32.065 *13 As 0.77829036310328 0.90613615203547 0.35182684908449 74.922 14 As 0.22170963689672 0.09386384796453 0.64817315091551 74.922 15 As 0.77829036310328 0.59386384796453 0.85182684908449 74.922 16 As 0.22170963689672 0.40613615203547 0.14817315091551 74.922 *17 Ag 0.29372179864979 0.76676146002863 0.61833893676039 107.868 18 Ag 0.29372179864979 0.73323853997137 0.11833893676039 107.868 19 Ag 0.70627820135021 0.26676146002863 0.88166106323961 107.868 20 Ag 0.70627820135021 0.23323853997137 0.38166106323961 107.868 *21 Pb 0.74047166333891 0.58402154804201 0.33329970520227 207.200 22 Pb 0.25952833666109 0.08402154804201 0.16670029479773 207.200 23 Pb 0.25952833666109 0.41597845195799 0.66670029479773 207.200 24 Pb 0.74047166333891 0.91597845195799 0.83329970520227 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.908334312466264 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.126991845722731 0.000000000000000 7.284876491480230 Atomic positions (fractional): *1 S 0.77768755598245 0.44647964114566 0.66127865114391 32.065 > 1 2 S 0.22231244401755 0.94647964114566 0.83872134885609 32.065 > 2 3 S 0.22231244401755 0.55352035885434 0.33872134885609 32.065 > 3 4 S 0.77768755598245 0.05352035885434 0.16127865114391 32.065 > 4 *5 S 0.59995873444304 0.12851025568018 0.64974652299843 32.065 > 5 6 S 0.40004126555696 0.62851025568018 0.85025347700157 32.065 > 6 7 S 0.40004126555696 0.87148974431982 0.35025347700157 32.065 > 7 *8 S 0.87360866916678 0.78184233679015 0.13770181857443 32.065 > 8 9 S 0.87360866916678 0.71815766320985 0.63770181857442 32.065 > 9 10 S 0.12639133083322 0.21815766320985 0.86229818142558 32.065 > 10 11 S 0.12639133083322 0.28184233679015 0.36229818142558 32.065 > 11 12 S 0.59995873444304 0.37148974431982 0.14974652299843 32.065 > 12 *13 As 0.77829036310328 0.90613615203547 0.35182684908449 74.922 > 13 14 As 0.22170963689672 0.09386384796453 0.64817315091551 74.922 > 14 15 As 0.77829036310328 0.59386384796453 0.85182684908449 74.922 > 15 16 As 0.22170963689672 0.40613615203547 0.14817315091551 74.922 > 16 *17 Ag 0.29372179864979 0.76676146002863 0.61833893676039 107.868 > 17 18 Ag 0.29372179864979 0.73323853997137 0.11833893676039 107.868 > 18 19 Ag 0.70627820135021 0.26676146002863 0.88166106323961 107.868 > 19 20 Ag 0.70627820135021 0.23323853997137 0.38166106323961 107.868 > 20 *21 Pb 0.74047166333891 0.58402154804201 0.33329970520227 207.200 > 21 22 Pb 0.25952833666109 0.08402154804201 0.16670029479773 207.200 > 22 23 Pb 0.25952833666109 0.41597845195799 0.66670029479773 207.200 > 23 24 Pb 0.74047166333891 0.91597845195799 0.83329970520227 207.200 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.725002937398791 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.253983691445462 0.000000000000000 14.569752982960461 Atomic positions (fractional): *1 S 0.25922918532748 0.44647964114566 0.33063932557196 32.065 > 1 2 S 0.59256251866082 0.44647964114566 0.33063932557196 32.065 > 1 3 S 0.92589585199415 0.44647964114566 0.33063932557196 32.065 > 1 4 S 0.25922918532748 0.44647964114566 0.83063932557196 32.065 > 1 5 S 0.59256251866082 0.44647964114566 0.83063932557196 32.065 > 1 6 S 0.92589585199415 0.44647964114566 0.83063932557196 32.065 > 1 7 S 0.07410414800585 0.94647964114566 0.41936067442804 32.065 > 2 8 S 0.40743748133918 0.94647964114566 0.41936067442804 32.065 > 2 9 S 0.74077081467252 0.94647964114566 0.41936067442804 32.065 > 2 10 S 0.07410414800585 0.94647964114566 0.91936067442804 32.065 > 2 11 S 0.40743748133918 0.94647964114566 0.91936067442804 32.065 > 2 12 S 0.74077081467252 0.94647964114566 0.91936067442804 32.065 > 2 13 S 0.07410414800585 0.55352035885434 0.16936067442805 32.065 > 3 14 S 0.40743748133918 0.55352035885434 0.16936067442805 32.065 > 3 15 S 0.74077081467252 0.55352035885434 0.16936067442805 32.065 > 3 16 S 0.07410414800585 0.55352035885434 0.66936067442805 32.065 > 3 17 S 0.40743748133918 0.55352035885434 0.66936067442805 32.065 > 3 18 S 0.74077081467252 0.55352035885434 0.66936067442805 32.065 > 3 19 S 0.25922918532748 0.05352035885434 0.08063932557195 32.065 > 4 20 S 0.59256251866082 0.05352035885434 0.08063932557195 32.065 > 4 21 S 0.92589585199415 0.05352035885434 0.08063932557195 32.065 > 4 22 S 0.25922918532748 0.05352035885434 0.58063932557195 32.065 > 4 23 S 0.59256251866082 0.05352035885434 0.58063932557195 32.065 > 4 24 S 0.92589585199415 0.05352035885434 0.58063932557195 32.065 > 4 *25 S 0.19998624481435 0.12851025568018 0.32487326149921 32.065 > 5 26 S 0.53331957814768 0.12851025568018 0.32487326149921 32.065 > 5 27 S 0.86665291148101 0.12851025568018 0.32487326149921 32.065 > 5 28 S 0.19998624481435 0.12851025568018 0.82487326149921 32.065 > 5 29 S 0.53331957814768 0.12851025568018 0.82487326149921 32.065 > 5 30 S 0.86665291148101 0.12851025568018 0.82487326149921 32.065 > 5 31 S 0.13334708851899 0.62851025568018 0.42512673850079 32.065 > 6 32 S 0.46668042185232 0.62851025568018 0.42512673850079 32.065 > 6 33 S 0.80001375518565 0.62851025568018 0.42512673850079 32.065 > 6 34 S 0.13334708851899 0.62851025568018 0.92512673850079 32.065 > 6 35 S 0.46668042185232 0.62851025568018 0.92512673850079 32.065 > 6 36 S 0.80001375518565 0.62851025568018 0.92512673850079 32.065 > 6 37 S 0.13334708851899 0.87148974431982 0.17512673850079 32.065 > 7 38 S 0.46668042185232 0.87148974431982 0.17512673850079 32.065 > 7 39 S 0.80001375518565 0.87148974431982 0.17512673850079 32.065 > 7 40 S 0.13334708851899 0.87148974431982 0.67512673850079 32.065 > 7 41 S 0.46668042185232 0.87148974431982 0.67512673850079 32.065 > 7 42 S 0.80001375518565 0.87148974431982 0.67512673850079 32.065 > 7 *43 S 0.29120288972226 0.78184233679015 0.06885090928721 32.065 > 8 44 S 0.62453622305559 0.78184233679015 0.06885090928721 32.065 > 8 45 S 0.95786955638893 0.78184233679015 0.06885090928721 32.065 > 8 46 S 0.29120288972226 0.78184233679015 0.56885090928721 32.065 > 8 47 S 0.62453622305559 0.78184233679015 0.56885090928721 32.065 > 8 48 S 0.95786955638893 0.78184233679015 0.56885090928721 32.065 > 8 49 S 0.29120288972226 0.71815766320985 0.31885090928721 32.065 > 9 50 S 0.62453622305559 0.71815766320985 0.31885090928721 32.065 > 9 51 S 0.95786955638893 0.71815766320985 0.31885090928721 32.065 > 9 52 S 0.29120288972226 0.71815766320985 0.81885090928721 32.065 > 9 53 S 0.62453622305559 0.71815766320985 0.81885090928721 32.065 > 9 54 S 0.95786955638893 0.71815766320985 0.81885090928721 32.065 > 9 55 S 0.04213044361107 0.21815766320985 0.43114909071279 32.065 > 10 56 S 0.37546377694441 0.21815766320985 0.43114909071279 32.065 > 10 57 S 0.70879711027774 0.21815766320985 0.43114909071279 32.065 > 10 58 S 0.04213044361107 0.21815766320985 0.93114909071279 32.065 > 10 59 S 0.37546377694441 0.21815766320985 0.93114909071279 32.065 > 10 60 S 0.70879711027774 0.21815766320985 0.93114909071279 32.065 > 10 61 S 0.04213044361107 0.28184233679015 0.18114909071279 32.065 > 11 62 S 0.37546377694441 0.28184233679015 0.18114909071279 32.065 > 11 63 S 0.70879711027774 0.28184233679015 0.18114909071279 32.065 > 11 64 S 0.04213044361107 0.28184233679015 0.68114909071279 32.065 > 11 65 S 0.37546377694441 0.28184233679015 0.68114909071279 32.065 > 11 66 S 0.70879711027774 0.28184233679015 0.68114909071279 32.065 > 11 67 S 0.19998624481435 0.37148974431982 0.07487326149921 32.065 > 12 68 S 0.53331957814768 0.37148974431982 0.07487326149921 32.065 > 12 69 S 0.86665291148101 0.37148974431982 0.07487326149921 32.065 > 12 70 S 0.19998624481435 0.37148974431982 0.57487326149921 32.065 > 12 71 S 0.53331957814768 0.37148974431982 0.57487326149921 32.065 > 12 72 S 0.86665291148101 0.37148974431982 0.57487326149921 32.065 > 12 *73 As 0.25943012103443 0.90613615203547 0.17591342454225 74.922 > 13 74 As 0.59276345436776 0.90613615203547 0.17591342454225 74.922 > 13 75 As 0.92609678770109 0.90613615203547 0.17591342454225 74.922 > 13 76 As 0.25943012103443 0.90613615203547 0.67591342454225 74.922 > 13 77 As 0.59276345436776 0.90613615203547 0.67591342454225 74.922 > 13 78 As 0.92609678770109 0.90613615203547 0.67591342454225 74.922 > 13 79 As 0.07390321229891 0.09386384796453 0.32408657545775 74.922 > 14 80 As 0.40723654563224 0.09386384796453 0.32408657545775 74.922 > 14 81 As 0.74056987896557 0.09386384796453 0.32408657545775 74.922 > 14 82 As 0.07390321229891 0.09386384796453 0.82408657545775 74.922 > 14 83 As 0.40723654563224 0.09386384796453 0.82408657545775 74.922 > 14 84 As 0.74056987896557 0.09386384796453 0.82408657545775 74.922 > 14 85 As 0.25943012103443 0.59386384796453 0.42591342454225 74.922 > 15 86 As 0.59276345436776 0.59386384796453 0.42591342454225 74.922 > 15 87 As 0.92609678770109 0.59386384796453 0.42591342454225 74.922 > 15 88 As 0.25943012103443 0.59386384796453 0.92591342454225 74.922 > 15 89 As 0.59276345436776 0.59386384796453 0.92591342454225 74.922 > 15 90 As 0.92609678770109 0.59386384796453 0.92591342454225 74.922 > 15 91 As 0.07390321229891 0.40613615203547 0.07408657545775 74.922 > 16 92 As 0.40723654563224 0.40613615203547 0.07408657545775 74.922 > 16 93 As 0.74056987896557 0.40613615203547 0.07408657545775 74.922 > 16 94 As 0.07390321229891 0.40613615203547 0.57408657545775 74.922 > 16 95 As 0.40723654563224 0.40613615203547 0.57408657545775 74.922 > 16 96 As 0.74056987896557 0.40613615203547 0.57408657545775 74.922 > 16 *97 Ag 0.09790726621660 0.76676146002863 0.30916946838019 107.868 > 17 98 Ag 0.43124059954993 0.76676146002863 0.30916946838019 107.868 > 17 99 Ag 0.76457393288326 0.76676146002863 0.30916946838019 107.868 > 17 100 Ag 0.09790726621660 0.76676146002863 0.80916946838019 107.868 > 17 101 Ag 0.43124059954993 0.76676146002863 0.80916946838019 107.868 > 17 102 Ag 0.76457393288326 0.76676146002863 0.80916946838019 107.868 > 17 103 Ag 0.09790726621660 0.73323853997137 0.05916946838019 107.868 > 18 104 Ag 0.43124059954993 0.73323853997137 0.05916946838019 107.868 > 18 105 Ag 0.76457393288326 0.73323853997137 0.05916946838019 107.868 > 18 106 Ag 0.09790726621660 0.73323853997137 0.55916946838019 107.868 > 18 107 Ag 0.43124059954993 0.73323853997137 0.55916946838019 107.868 > 18 108 Ag 0.76457393288326 0.73323853997137 0.55916946838019 107.868 > 18 109 Ag 0.23542606711674 0.26676146002863 0.44083053161981 107.868 > 19 110 Ag 0.56875940045007 0.26676146002863 0.44083053161981 107.868 > 19 111 Ag 0.90209273378340 0.26676146002863 0.44083053161981 107.868 > 19 112 Ag 0.23542606711674 0.26676146002863 0.94083053161981 107.868 > 19 113 Ag 0.56875940045007 0.26676146002863 0.94083053161981 107.868 > 19 114 Ag 0.90209273378340 0.26676146002863 0.94083053161981 107.868 > 19 115 Ag 0.23542606711674 0.23323853997137 0.19083053161981 107.868 > 20 116 Ag 0.56875940045007 0.23323853997137 0.19083053161981 107.868 > 20 117 Ag 0.90209273378340 0.23323853997137 0.19083053161981 107.868 > 20 118 Ag 0.23542606711674 0.23323853997137 0.69083053161981 107.868 > 20 119 Ag 0.56875940045007 0.23323853997137 0.69083053161981 107.868 > 20 120 Ag 0.90209273378340 0.23323853997137 0.69083053161981 107.868 > 20 *121 Pb 0.24682388777964 0.58402154804201 0.16664985260114 207.200 > 21 122 Pb 0.58015722111297 0.58402154804201 0.16664985260114 207.200 > 21 123 Pb 0.91349055444630 0.58402154804201 0.16664985260114 207.200 > 21 124 Pb 0.24682388777964 0.58402154804201 0.66664985260114 207.200 > 21 125 Pb 0.58015722111297 0.58402154804201 0.66664985260114 207.200 > 21 126 Pb 0.91349055444630 0.58402154804201 0.66664985260114 207.200 > 21 127 Pb 0.08650944555370 0.08402154804201 0.08335014739886 207.200 > 22 128 Pb 0.41984277888703 0.08402154804201 0.08335014739886 207.200 > 22 129 Pb 0.75317611222036 0.08402154804201 0.08335014739886 207.200 > 22 130 Pb 0.08650944555370 0.08402154804201 0.58335014739886 207.200 > 22 131 Pb 0.41984277888703 0.08402154804201 0.58335014739886 207.200 > 22 132 Pb 0.75317611222036 0.08402154804201 0.58335014739886 207.200 > 22 133 Pb 0.08650944555370 0.41597845195799 0.33335014739886 207.200 > 23 134 Pb 0.41984277888703 0.41597845195799 0.33335014739886 207.200 > 23 135 Pb 0.75317611222036 0.41597845195799 0.33335014739886 207.200 > 23 136 Pb 0.08650944555370 0.41597845195799 0.83335014739886 207.200 > 23 137 Pb 0.41984277888703 0.41597845195799 0.83335014739886 207.200 > 23 138 Pb 0.75317611222036 0.41597845195799 0.83335014739886 207.200 > 23 139 Pb 0.24682388777964 0.91597845195799 0.41664985260114 207.200 > 24 140 Pb 0.58015722111297 0.91597845195799 0.41664985260114 207.200 > 24 141 Pb 0.91349055444630 0.91597845195799 0.41664985260114 207.200 > 24 142 Pb 0.24682388777964 0.91597845195799 0.91664985260114 207.200 > 24 143 Pb 0.58015722111297 0.91597845195799 0.91664985260114 207.200 > 24 144 Pb 0.91349055444630 0.91597845195799 0.91664985260114 207.200 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5573512 0.0000000 -0.7104915 0.0000000 11.8401449 0.0000000 -0.7104899 0.0000000 10.9573135 -------------------------- Born effective charges -------------------------- 1 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 2 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 3 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 4 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 5 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 6 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 7 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 8 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 9 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 10 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 11 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 12 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 13 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 14 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 15 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 16 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 17 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 18 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 19 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 20 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 21 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 22 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 23 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 24 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.295 Solver_block: 200 / 720 - Time: 1.151 Solver_block: 300 / 720 - Time: 1.154 Solver_block: 400 / 720 - Time: 1.156 Solver_block: 500 / 720 - Time: 1.155 Solver_block: 600 / 720 - Time: 1.158 Solver_block: 700 / 720 - Time: 1.155 Solver_block: 720 / 720 - Time: 0.356 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.794 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:10:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:10:07]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.908334312466264 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.126991845722731 0.000000000000000 7.284876491480230 Atomic positions (fractional): 1 S 0.77768755598245 0.44647964114566 0.66127865114391 32.065 2 S 0.22231244401755 0.94647964114566 0.83872134885609 32.065 3 S 0.22231244401755 0.55352035885434 0.33872134885609 32.065 4 S 0.77768755598245 0.05352035885434 0.16127865114391 32.065 5 S 0.59995873444304 0.12851025568018 0.64974652299843 32.065 6 S 0.40004126555696 0.62851025568018 0.85025347700157 32.065 7 S 0.40004126555696 0.87148974431982 0.35025347700157 32.065 8 S 0.87360866916678 0.78184233679015 0.13770181857443 32.065 9 S 0.87360866916678 0.71815766320985 0.63770181857442 32.065 10 S 0.12639133083322 0.21815766320985 0.86229818142558 32.065 11 S 0.12639133083322 0.28184233679015 0.36229818142558 32.065 12 S 0.59995873444304 0.37148974431982 0.14974652299843 32.065 13 As 0.77829036310328 0.90613615203547 0.35182684908449 74.922 14 As 0.22170963689672 0.09386384796453 0.64817315091551 74.922 15 As 0.77829036310328 0.59386384796453 0.85182684908449 74.922 16 As 0.22170963689672 0.40613615203547 0.14817315091551 74.922 17 Ag 0.29372179864979 0.76676146002863 0.61833893676039 107.868 18 Ag 0.29372179864979 0.73323853997137 0.11833893676039 107.868 19 Ag 0.70627820135021 0.26676146002863 0.88166106323961 107.868 20 Ag 0.70627820135021 0.23323853997137 0.38166106323961 107.868 21 Pb 0.74047166333891 0.58402154804201 0.33329970520227 207.200 22 Pb 0.25952833666109 0.08402154804201 0.16670029479773 207.200 23 Pb 0.25952833666109 0.41597845195799 0.66670029479773 207.200 24 Pb 0.74047166333891 0.91597845195799 0.83329970520227 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.725002937398791 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.253983691445462 0.000000000000000 14.569752982960461 Atomic positions (fractional): 1 S 0.25922918532748 0.44647964114566 0.33063932557196 32.065 > 1 2 S 0.59256251866082 0.44647964114566 0.33063932557196 32.065 > 1 3 S 0.92589585199415 0.44647964114566 0.33063932557196 32.065 > 1 4 S 0.25922918532748 0.44647964114566 0.83063932557196 32.065 > 1 5 S 0.59256251866082 0.44647964114566 0.83063932557196 32.065 > 1 6 S 0.92589585199415 0.44647964114566 0.83063932557196 32.065 > 1 7 S 0.07410414800585 0.94647964114566 0.41936067442804 32.065 > 7 8 S 0.40743748133918 0.94647964114566 0.41936067442804 32.065 > 7 9 S 0.74077081467252 0.94647964114566 0.41936067442804 32.065 > 7 10 S 0.07410414800585 0.94647964114566 0.91936067442804 32.065 > 7 11 S 0.40743748133918 0.94647964114566 0.91936067442804 32.065 > 7 12 S 0.74077081467252 0.94647964114566 0.91936067442804 32.065 > 7 13 S 0.07410414800585 0.55352035885434 0.16936067442805 32.065 > 13 14 S 0.40743748133918 0.55352035885434 0.16936067442805 32.065 > 13 15 S 0.74077081467252 0.55352035885434 0.16936067442805 32.065 > 13 16 S 0.07410414800585 0.55352035885434 0.66936067442805 32.065 > 13 17 S 0.40743748133918 0.55352035885434 0.66936067442805 32.065 > 13 18 S 0.74077081467252 0.55352035885434 0.66936067442805 32.065 > 13 19 S 0.25922918532748 0.05352035885434 0.08063932557195 32.065 > 19 20 S 0.59256251866082 0.05352035885434 0.08063932557195 32.065 > 19 21 S 0.92589585199415 0.05352035885434 0.08063932557195 32.065 > 19 22 S 0.25922918532748 0.05352035885434 0.58063932557195 32.065 > 19 23 S 0.59256251866082 0.05352035885434 0.58063932557195 32.065 > 19 24 S 0.92589585199415 0.05352035885434 0.58063932557195 32.065 > 19 25 S 0.19998624481435 0.12851025568018 0.32487326149921 32.065 > 25 26 S 0.53331957814768 0.12851025568018 0.32487326149921 32.065 > 25 27 S 0.86665291148101 0.12851025568018 0.32487326149921 32.065 > 25 28 S 0.19998624481435 0.12851025568018 0.82487326149921 32.065 > 25 29 S 0.53331957814768 0.12851025568018 0.82487326149921 32.065 > 25 30 S 0.86665291148101 0.12851025568018 0.82487326149921 32.065 > 25 31 S 0.13334708851899 0.62851025568018 0.42512673850079 32.065 > 31 32 S 0.46668042185232 0.62851025568018 0.42512673850079 32.065 > 31 33 S 0.80001375518565 0.62851025568018 0.42512673850079 32.065 > 31 34 S 0.13334708851899 0.62851025568018 0.92512673850079 32.065 > 31 35 S 0.46668042185232 0.62851025568018 0.92512673850079 32.065 > 31 36 S 0.80001375518565 0.62851025568018 0.92512673850079 32.065 > 31 37 S 0.13334708851899 0.87148974431982 0.17512673850079 32.065 > 37 38 S 0.46668042185232 0.87148974431982 0.17512673850079 32.065 > 37 39 S 0.80001375518565 0.87148974431982 0.17512673850079 32.065 > 37 40 S 0.13334708851899 0.87148974431982 0.67512673850079 32.065 > 37 41 S 0.46668042185232 0.87148974431982 0.67512673850079 32.065 > 37 42 S 0.80001375518565 0.87148974431982 0.67512673850079 32.065 > 37 43 S 0.29120288972226 0.78184233679015 0.06885090928721 32.065 > 43 44 S 0.62453622305559 0.78184233679015 0.06885090928721 32.065 > 43 45 S 0.95786955638893 0.78184233679015 0.06885090928721 32.065 > 43 46 S 0.29120288972226 0.78184233679015 0.56885090928721 32.065 > 43 47 S 0.62453622305559 0.78184233679015 0.56885090928721 32.065 > 43 48 S 0.95786955638893 0.78184233679015 0.56885090928721 32.065 > 43 49 S 0.29120288972226 0.71815766320985 0.31885090928721 32.065 > 49 50 S 0.62453622305559 0.71815766320985 0.31885090928721 32.065 > 49 51 S 0.95786955638893 0.71815766320985 0.31885090928721 32.065 > 49 52 S 0.29120288972226 0.71815766320985 0.81885090928721 32.065 > 49 53 S 0.62453622305559 0.71815766320985 0.81885090928721 32.065 > 49 54 S 0.95786955638893 0.71815766320985 0.81885090928721 32.065 > 49 55 S 0.04213044361107 0.21815766320985 0.43114909071279 32.065 > 55 56 S 0.37546377694441 0.21815766320985 0.43114909071279 32.065 > 55 57 S 0.70879711027774 0.21815766320985 0.43114909071279 32.065 > 55 58 S 0.04213044361107 0.21815766320985 0.93114909071279 32.065 > 55 59 S 0.37546377694441 0.21815766320985 0.93114909071279 32.065 > 55 60 S 0.70879711027774 0.21815766320985 0.93114909071279 32.065 > 55 61 S 0.04213044361107 0.28184233679015 0.18114909071279 32.065 > 61 62 S 0.37546377694441 0.28184233679015 0.18114909071279 32.065 > 61 63 S 0.70879711027774 0.28184233679015 0.18114909071279 32.065 > 61 64 S 0.04213044361107 0.28184233679015 0.68114909071279 32.065 > 61 65 S 0.37546377694441 0.28184233679015 0.68114909071279 32.065 > 61 66 S 0.70879711027774 0.28184233679015 0.68114909071279 32.065 > 61 67 S 0.19998624481435 0.37148974431982 0.07487326149921 32.065 > 67 68 S 0.53331957814768 0.37148974431982 0.07487326149921 32.065 > 67 69 S 0.86665291148101 0.37148974431982 0.07487326149921 32.065 > 67 70 S 0.19998624481435 0.37148974431982 0.57487326149921 32.065 > 67 71 S 0.53331957814768 0.37148974431982 0.57487326149921 32.065 > 67 72 S 0.86665291148101 0.37148974431982 0.57487326149921 32.065 > 67 73 As 0.25943012103443 0.90613615203547 0.17591342454225 74.922 > 73 74 As 0.59276345436776 0.90613615203547 0.17591342454225 74.922 > 73 75 As 0.92609678770109 0.90613615203547 0.17591342454225 74.922 > 73 76 As 0.25943012103443 0.90613615203547 0.67591342454225 74.922 > 73 77 As 0.59276345436776 0.90613615203547 0.67591342454225 74.922 > 73 78 As 0.92609678770109 0.90613615203547 0.67591342454225 74.922 > 73 79 As 0.07390321229891 0.09386384796453 0.32408657545775 74.922 > 79 80 As 0.40723654563224 0.09386384796453 0.32408657545775 74.922 > 79 81 As 0.74056987896557 0.09386384796453 0.32408657545775 74.922 > 79 82 As 0.07390321229891 0.09386384796453 0.82408657545775 74.922 > 79 83 As 0.40723654563224 0.09386384796453 0.82408657545775 74.922 > 79 84 As 0.74056987896557 0.09386384796453 0.82408657545775 74.922 > 79 85 As 0.25943012103443 0.59386384796453 0.42591342454225 74.922 > 85 86 As 0.59276345436776 0.59386384796453 0.42591342454225 74.922 > 85 87 As 0.92609678770109 0.59386384796453 0.42591342454225 74.922 > 85 88 As 0.25943012103443 0.59386384796453 0.92591342454225 74.922 > 85 89 As 0.59276345436776 0.59386384796453 0.92591342454225 74.922 > 85 90 As 0.92609678770109 0.59386384796453 0.92591342454225 74.922 > 85 91 As 0.07390321229891 0.40613615203547 0.07408657545775 74.922 > 91 92 As 0.40723654563224 0.40613615203547 0.07408657545775 74.922 > 91 93 As 0.74056987896557 0.40613615203547 0.07408657545775 74.922 > 91 94 As 0.07390321229891 0.40613615203547 0.57408657545775 74.922 > 91 95 As 0.40723654563224 0.40613615203547 0.57408657545775 74.922 > 91 96 As 0.74056987896557 0.40613615203547 0.57408657545775 74.922 > 91 97 Ag 0.09790726621660 0.76676146002863 0.30916946838019 107.868 > 97 98 Ag 0.43124059954993 0.76676146002863 0.30916946838019 107.868 > 97 99 Ag 0.76457393288326 0.76676146002863 0.30916946838019 107.868 > 97 100 Ag 0.09790726621660 0.76676146002863 0.80916946838019 107.868 > 97 101 Ag 0.43124059954993 0.76676146002863 0.80916946838019 107.868 > 97 102 Ag 0.76457393288326 0.76676146002863 0.80916946838019 107.868 > 97 103 Ag 0.09790726621660 0.73323853997137 0.05916946838019 107.868 > 103 104 Ag 0.43124059954993 0.73323853997137 0.05916946838019 107.868 > 103 105 Ag 0.76457393288326 0.73323853997137 0.05916946838019 107.868 > 103 106 Ag 0.09790726621660 0.73323853997137 0.55916946838019 107.868 > 103 107 Ag 0.43124059954993 0.73323853997137 0.55916946838019 107.868 > 103 108 Ag 0.76457393288326 0.73323853997137 0.55916946838019 107.868 > 103 109 Ag 0.23542606711674 0.26676146002863 0.44083053161981 107.868 > 109 110 Ag 0.56875940045007 0.26676146002863 0.44083053161981 107.868 > 109 111 Ag 0.90209273378340 0.26676146002863 0.44083053161981 107.868 > 109 112 Ag 0.23542606711674 0.26676146002863 0.94083053161981 107.868 > 109 113 Ag 0.56875940045007 0.26676146002863 0.94083053161981 107.868 > 109 114 Ag 0.90209273378340 0.26676146002863 0.94083053161981 107.868 > 109 115 Ag 0.23542606711674 0.23323853997137 0.19083053161981 107.868 > 115 116 Ag 0.56875940045007 0.23323853997137 0.19083053161981 107.868 > 115 117 Ag 0.90209273378340 0.23323853997137 0.19083053161981 107.868 > 115 118 Ag 0.23542606711674 0.23323853997137 0.69083053161981 107.868 > 115 119 Ag 0.56875940045007 0.23323853997137 0.69083053161981 107.868 > 115 120 Ag 0.90209273378340 0.23323853997137 0.69083053161981 107.868 > 115 121 Pb 0.24682388777964 0.58402154804201 0.16664985260114 207.200 > 121 122 Pb 0.58015722111297 0.58402154804201 0.16664985260114 207.200 > 121 123 Pb 0.91349055444630 0.58402154804201 0.16664985260114 207.200 > 121 124 Pb 0.24682388777964 0.58402154804201 0.66664985260114 207.200 > 121 125 Pb 0.58015722111297 0.58402154804201 0.66664985260114 207.200 > 121 126 Pb 0.91349055444630 0.58402154804201 0.66664985260114 207.200 > 121 127 Pb 0.08650944555370 0.08402154804201 0.08335014739886 207.200 > 127 128 Pb 0.41984277888703 0.08402154804201 0.08335014739886 207.200 > 127 129 Pb 0.75317611222036 0.08402154804201 0.08335014739886 207.200 > 127 130 Pb 0.08650944555370 0.08402154804201 0.58335014739886 207.200 > 127 131 Pb 0.41984277888703 0.08402154804201 0.58335014739886 207.200 > 127 132 Pb 0.75317611222036 0.08402154804201 0.58335014739886 207.200 > 127 133 Pb 0.08650944555370 0.41597845195799 0.33335014739886 207.200 > 133 134 Pb 0.41984277888703 0.41597845195799 0.33335014739886 207.200 > 133 135 Pb 0.75317611222036 0.41597845195799 0.33335014739886 207.200 > 133 136 Pb 0.08650944555370 0.41597845195799 0.83335014739886 207.200 > 133 137 Pb 0.41984277888703 0.41597845195799 0.83335014739886 207.200 > 133 138 Pb 0.75317611222036 0.41597845195799 0.83335014739886 207.200 > 133 139 Pb 0.24682388777964 0.91597845195799 0.41664985260114 207.200 > 139 140 Pb 0.58015722111297 0.91597845195799 0.41664985260114 207.200 > 139 141 Pb 0.91349055444630 0.91597845195799 0.41664985260114 207.200 > 139 142 Pb 0.24682388777964 0.91597845195799 0.91664985260114 207.200 > 139 143 Pb 0.58015722111297 0.91597845195799 0.91664985260114 207.200 > 139 144 Pb 0.91349055444630 0.91597845195799 0.91664985260114 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.5573512 0.0000000 -0.7104915 0.0000000 11.8401449 0.0000000 -0.7104899 0.0000000 10.9573135 -------------------------- Born effective charges -------------------------- 1 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 2 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 3 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 4 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 5 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 6 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 7 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 8 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 9 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 10 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 11 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 12 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 13 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 14 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 15 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 16 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 17 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 18 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 19 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 20 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 21 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 22 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 23 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 24 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:10:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:10:48]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.908334312466264 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.126991845722731 0.000000000000000 7.284876491480230 Atomic positions (fractional): 1 S 0.77768755598245 0.44647964114566 0.66127865114391 32.065 2 S 0.22231244401755 0.94647964114566 0.83872134885609 32.065 3 S 0.22231244401755 0.55352035885434 0.33872134885609 32.065 4 S 0.77768755598245 0.05352035885434 0.16127865114391 32.065 5 S 0.59995873444304 0.12851025568018 0.64974652299843 32.065 6 S 0.40004126555696 0.62851025568018 0.85025347700157 32.065 7 S 0.40004126555696 0.87148974431982 0.35025347700157 32.065 8 S 0.87360866916678 0.78184233679015 0.13770181857443 32.065 9 S 0.87360866916678 0.71815766320985 0.63770181857442 32.065 10 S 0.12639133083322 0.21815766320985 0.86229818142558 32.065 11 S 0.12639133083322 0.28184233679015 0.36229818142558 32.065 12 S 0.59995873444304 0.37148974431982 0.14974652299843 32.065 13 As 0.77829036310328 0.90613615203547 0.35182684908449 74.922 14 As 0.22170963689672 0.09386384796453 0.64817315091551 74.922 15 As 0.77829036310328 0.59386384796453 0.85182684908449 74.922 16 As 0.22170963689672 0.40613615203547 0.14817315091551 74.922 17 Ag 0.29372179864979 0.76676146002863 0.61833893676039 107.868 18 Ag 0.29372179864979 0.73323853997137 0.11833893676039 107.868 19 Ag 0.70627820135021 0.26676146002863 0.88166106323961 107.868 20 Ag 0.70627820135021 0.23323853997137 0.38166106323961 107.868 21 Pb 0.74047166333891 0.58402154804201 0.33329970520227 207.200 22 Pb 0.25952833666109 0.08402154804201 0.16670029479773 207.200 23 Pb 0.25952833666109 0.41597845195799 0.66670029479773 207.200 24 Pb 0.74047166333891 0.91597845195799 0.83329970520227 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.725002937398791 0.000000000000000 0.000000000000000 b 0.000000000000000 12.387797199999998 0.000000000000000 c -0.253983691445462 0.000000000000000 14.569752982960461 Atomic positions (fractional): 1 S 0.25922918532748 0.44647964114566 0.33063932557196 32.065 > 1 2 S 0.59256251866082 0.44647964114566 0.33063932557196 32.065 > 1 3 S 0.92589585199415 0.44647964114566 0.33063932557196 32.065 > 1 4 S 0.25922918532748 0.44647964114566 0.83063932557196 32.065 > 1 5 S 0.59256251866082 0.44647964114566 0.83063932557196 32.065 > 1 6 S 0.92589585199415 0.44647964114566 0.83063932557196 32.065 > 1 7 S 0.07410414800585 0.94647964114566 0.41936067442804 32.065 > 7 8 S 0.40743748133918 0.94647964114566 0.41936067442804 32.065 > 7 9 S 0.74077081467252 0.94647964114566 0.41936067442804 32.065 > 7 10 S 0.07410414800585 0.94647964114566 0.91936067442804 32.065 > 7 11 S 0.40743748133918 0.94647964114566 0.91936067442804 32.065 > 7 12 S 0.74077081467252 0.94647964114566 0.91936067442804 32.065 > 7 13 S 0.07410414800585 0.55352035885434 0.16936067442805 32.065 > 13 14 S 0.40743748133918 0.55352035885434 0.16936067442805 32.065 > 13 15 S 0.74077081467252 0.55352035885434 0.16936067442805 32.065 > 13 16 S 0.07410414800585 0.55352035885434 0.66936067442805 32.065 > 13 17 S 0.40743748133918 0.55352035885434 0.66936067442805 32.065 > 13 18 S 0.74077081467252 0.55352035885434 0.66936067442805 32.065 > 13 19 S 0.25922918532748 0.05352035885434 0.08063932557195 32.065 > 19 20 S 0.59256251866082 0.05352035885434 0.08063932557195 32.065 > 19 21 S 0.92589585199415 0.05352035885434 0.08063932557195 32.065 > 19 22 S 0.25922918532748 0.05352035885434 0.58063932557195 32.065 > 19 23 S 0.59256251866082 0.05352035885434 0.58063932557195 32.065 > 19 24 S 0.92589585199415 0.05352035885434 0.58063932557195 32.065 > 19 25 S 0.19998624481435 0.12851025568018 0.32487326149921 32.065 > 25 26 S 0.53331957814768 0.12851025568018 0.32487326149921 32.065 > 25 27 S 0.86665291148101 0.12851025568018 0.32487326149921 32.065 > 25 28 S 0.19998624481435 0.12851025568018 0.82487326149921 32.065 > 25 29 S 0.53331957814768 0.12851025568018 0.82487326149921 32.065 > 25 30 S 0.86665291148101 0.12851025568018 0.82487326149921 32.065 > 25 31 S 0.13334708851899 0.62851025568018 0.42512673850079 32.065 > 31 32 S 0.46668042185232 0.62851025568018 0.42512673850079 32.065 > 31 33 S 0.80001375518565 0.62851025568018 0.42512673850079 32.065 > 31 34 S 0.13334708851899 0.62851025568018 0.92512673850079 32.065 > 31 35 S 0.46668042185232 0.62851025568018 0.92512673850079 32.065 > 31 36 S 0.80001375518565 0.62851025568018 0.92512673850079 32.065 > 31 37 S 0.13334708851899 0.87148974431982 0.17512673850079 32.065 > 37 38 S 0.46668042185232 0.87148974431982 0.17512673850079 32.065 > 37 39 S 0.80001375518565 0.87148974431982 0.17512673850079 32.065 > 37 40 S 0.13334708851899 0.87148974431982 0.67512673850079 32.065 > 37 41 S 0.46668042185232 0.87148974431982 0.67512673850079 32.065 > 37 42 S 0.80001375518565 0.87148974431982 0.67512673850079 32.065 > 37 43 S 0.29120288972226 0.78184233679015 0.06885090928721 32.065 > 43 44 S 0.62453622305559 0.78184233679015 0.06885090928721 32.065 > 43 45 S 0.95786955638893 0.78184233679015 0.06885090928721 32.065 > 43 46 S 0.29120288972226 0.78184233679015 0.56885090928721 32.065 > 43 47 S 0.62453622305559 0.78184233679015 0.56885090928721 32.065 > 43 48 S 0.95786955638893 0.78184233679015 0.56885090928721 32.065 > 43 49 S 0.29120288972226 0.71815766320985 0.31885090928721 32.065 > 49 50 S 0.62453622305559 0.71815766320985 0.31885090928721 32.065 > 49 51 S 0.95786955638893 0.71815766320985 0.31885090928721 32.065 > 49 52 S 0.29120288972226 0.71815766320985 0.81885090928721 32.065 > 49 53 S 0.62453622305559 0.71815766320985 0.81885090928721 32.065 > 49 54 S 0.95786955638893 0.71815766320985 0.81885090928721 32.065 > 49 55 S 0.04213044361107 0.21815766320985 0.43114909071279 32.065 > 55 56 S 0.37546377694441 0.21815766320985 0.43114909071279 32.065 > 55 57 S 0.70879711027774 0.21815766320985 0.43114909071279 32.065 > 55 58 S 0.04213044361107 0.21815766320985 0.93114909071279 32.065 > 55 59 S 0.37546377694441 0.21815766320985 0.93114909071279 32.065 > 55 60 S 0.70879711027774 0.21815766320985 0.93114909071279 32.065 > 55 61 S 0.04213044361107 0.28184233679015 0.18114909071279 32.065 > 61 62 S 0.37546377694441 0.28184233679015 0.18114909071279 32.065 > 61 63 S 0.70879711027774 0.28184233679015 0.18114909071279 32.065 > 61 64 S 0.04213044361107 0.28184233679015 0.68114909071279 32.065 > 61 65 S 0.37546377694441 0.28184233679015 0.68114909071279 32.065 > 61 66 S 0.70879711027774 0.28184233679015 0.68114909071279 32.065 > 61 67 S 0.19998624481435 0.37148974431982 0.07487326149921 32.065 > 67 68 S 0.53331957814768 0.37148974431982 0.07487326149921 32.065 > 67 69 S 0.86665291148101 0.37148974431982 0.07487326149921 32.065 > 67 70 S 0.19998624481435 0.37148974431982 0.57487326149921 32.065 > 67 71 S 0.53331957814768 0.37148974431982 0.57487326149921 32.065 > 67 72 S 0.86665291148101 0.37148974431982 0.57487326149921 32.065 > 67 73 As 0.25943012103443 0.90613615203547 0.17591342454225 74.922 > 73 74 As 0.59276345436776 0.90613615203547 0.17591342454225 74.922 > 73 75 As 0.92609678770109 0.90613615203547 0.17591342454225 74.922 > 73 76 As 0.25943012103443 0.90613615203547 0.67591342454225 74.922 > 73 77 As 0.59276345436776 0.90613615203547 0.67591342454225 74.922 > 73 78 As 0.92609678770109 0.90613615203547 0.67591342454225 74.922 > 73 79 As 0.07390321229891 0.09386384796453 0.32408657545775 74.922 > 79 80 As 0.40723654563224 0.09386384796453 0.32408657545775 74.922 > 79 81 As 0.74056987896557 0.09386384796453 0.32408657545775 74.922 > 79 82 As 0.07390321229891 0.09386384796453 0.82408657545775 74.922 > 79 83 As 0.40723654563224 0.09386384796453 0.82408657545775 74.922 > 79 84 As 0.74056987896557 0.09386384796453 0.82408657545775 74.922 > 79 85 As 0.25943012103443 0.59386384796453 0.42591342454225 74.922 > 85 86 As 0.59276345436776 0.59386384796453 0.42591342454225 74.922 > 85 87 As 0.92609678770109 0.59386384796453 0.42591342454225 74.922 > 85 88 As 0.25943012103443 0.59386384796453 0.92591342454225 74.922 > 85 89 As 0.59276345436776 0.59386384796453 0.92591342454225 74.922 > 85 90 As 0.92609678770109 0.59386384796453 0.92591342454225 74.922 > 85 91 As 0.07390321229891 0.40613615203547 0.07408657545775 74.922 > 91 92 As 0.40723654563224 0.40613615203547 0.07408657545775 74.922 > 91 93 As 0.74056987896557 0.40613615203547 0.07408657545775 74.922 > 91 94 As 0.07390321229891 0.40613615203547 0.57408657545775 74.922 > 91 95 As 0.40723654563224 0.40613615203547 0.57408657545775 74.922 > 91 96 As 0.74056987896557 0.40613615203547 0.57408657545775 74.922 > 91 97 Ag 0.09790726621660 0.76676146002863 0.30916946838019 107.868 > 97 98 Ag 0.43124059954993 0.76676146002863 0.30916946838019 107.868 > 97 99 Ag 0.76457393288326 0.76676146002863 0.30916946838019 107.868 > 97 100 Ag 0.09790726621660 0.76676146002863 0.80916946838019 107.868 > 97 101 Ag 0.43124059954993 0.76676146002863 0.80916946838019 107.868 > 97 102 Ag 0.76457393288326 0.76676146002863 0.80916946838019 107.868 > 97 103 Ag 0.09790726621660 0.73323853997137 0.05916946838019 107.868 > 103 104 Ag 0.43124059954993 0.73323853997137 0.05916946838019 107.868 > 103 105 Ag 0.76457393288326 0.73323853997137 0.05916946838019 107.868 > 103 106 Ag 0.09790726621660 0.73323853997137 0.55916946838019 107.868 > 103 107 Ag 0.43124059954993 0.73323853997137 0.55916946838019 107.868 > 103 108 Ag 0.76457393288326 0.73323853997137 0.55916946838019 107.868 > 103 109 Ag 0.23542606711674 0.26676146002863 0.44083053161981 107.868 > 109 110 Ag 0.56875940045007 0.26676146002863 0.44083053161981 107.868 > 109 111 Ag 0.90209273378340 0.26676146002863 0.44083053161981 107.868 > 109 112 Ag 0.23542606711674 0.26676146002863 0.94083053161981 107.868 > 109 113 Ag 0.56875940045007 0.26676146002863 0.94083053161981 107.868 > 109 114 Ag 0.90209273378340 0.26676146002863 0.94083053161981 107.868 > 109 115 Ag 0.23542606711674 0.23323853997137 0.19083053161981 107.868 > 115 116 Ag 0.56875940045007 0.23323853997137 0.19083053161981 107.868 > 115 117 Ag 0.90209273378340 0.23323853997137 0.19083053161981 107.868 > 115 118 Ag 0.23542606711674 0.23323853997137 0.69083053161981 107.868 > 115 119 Ag 0.56875940045007 0.23323853997137 0.69083053161981 107.868 > 115 120 Ag 0.90209273378340 0.23323853997137 0.69083053161981 107.868 > 115 121 Pb 0.24682388777964 0.58402154804201 0.16664985260114 207.200 > 121 122 Pb 0.58015722111297 0.58402154804201 0.16664985260114 207.200 > 121 123 Pb 0.91349055444630 0.58402154804201 0.16664985260114 207.200 > 121 124 Pb 0.24682388777964 0.58402154804201 0.66664985260114 207.200 > 121 125 Pb 0.58015722111297 0.58402154804201 0.66664985260114 207.200 > 121 126 Pb 0.91349055444630 0.58402154804201 0.66664985260114 207.200 > 121 127 Pb 0.08650944555370 0.08402154804201 0.08335014739886 207.200 > 127 128 Pb 0.41984277888703 0.08402154804201 0.08335014739886 207.200 > 127 129 Pb 0.75317611222036 0.08402154804201 0.08335014739886 207.200 > 127 130 Pb 0.08650944555370 0.08402154804201 0.58335014739886 207.200 > 127 131 Pb 0.41984277888703 0.08402154804201 0.58335014739886 207.200 > 127 132 Pb 0.75317611222036 0.08402154804201 0.58335014739886 207.200 > 127 133 Pb 0.08650944555370 0.41597845195799 0.33335014739886 207.200 > 133 134 Pb 0.41984277888703 0.41597845195799 0.33335014739886 207.200 > 133 135 Pb 0.75317611222036 0.41597845195799 0.33335014739886 207.200 > 133 136 Pb 0.08650944555370 0.41597845195799 0.83335014739886 207.200 > 133 137 Pb 0.41984277888703 0.41597845195799 0.83335014739886 207.200 > 133 138 Pb 0.75317611222036 0.41597845195799 0.83335014739886 207.200 > 133 139 Pb 0.24682388777964 0.91597845195799 0.41664985260114 207.200 > 139 140 Pb 0.58015722111297 0.91597845195799 0.41664985260114 207.200 > 139 141 Pb 0.91349055444630 0.91597845195799 0.41664985260114 207.200 > 139 142 Pb 0.24682388777964 0.91597845195799 0.91664985260114 207.200 > 139 143 Pb 0.58015722111297 0.91597845195799 0.91664985260114 207.200 > 139 144 Pb 0.91349055444630 0.91597845195799 0.91664985260114 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.5573512 0.0000000 -0.7104915 0.0000000 11.8401449 0.0000000 -0.7104899 0.0000000 10.9573135 -------------------------- Born effective charges -------------------------- 1 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 2 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 3 S -2.1531675 0.4829965 0.3416586 0.1008214 -2.5623005 0.0375036 0.0477416 0.1192330 -2.2115184 4 S -2.1531675 -0.4829965 0.3416586 -0.1008214 -2.5623005 -0.0375036 0.0477416 -0.1192330 -2.2115184 5 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 6 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 7 S -2.8732418 0.2387399 -0.0401163 0.4816623 -1.7793390 0.1695041 0.3302144 0.4551665 -1.1173693 8 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 9 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 10 S -1.5012903 0.8809155 0.6622939 0.2736572 -3.2096690 0.3152400 0.1869436 0.3025240 -2.8330936 11 S -1.5012903 -0.8809155 0.6622939 -0.2736572 -3.2096690 -0.3152400 0.1869436 -0.3025240 -2.8330936 12 S -2.8732418 -0.2387399 -0.0401163 -0.4816623 -1.7793390 -0.1695041 0.3302144 -0.4551665 -1.1173693 13 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 14 As 1.5970597 -0.2165554 -1.1270230 -0.6396872 2.2151810 -0.3057191 -0.6525788 -0.3059053 1.5455428 15 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 16 As 1.5970597 0.2165554 -1.1270230 0.6396872 2.2151810 0.3057191 -0.6525788 0.3059053 1.5455428 17 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 18 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 19 Ag 1.0008628 -0.2575565 -0.2961701 -0.0963787 1.1223228 -0.0703809 -0.2878515 0.0319622 0.8250015 20 Ag 1.0008628 0.2575565 -0.2961701 0.0963787 1.1223228 0.0703809 -0.2878515 -0.0319622 0.8250015 21 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 22 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 23 Pb 3.9297772 0.4313084 0.4593569 0.5310016 4.2138047 -0.1124753 0.3755308 -0.2690962 3.7914371 24 Pb 3.9297772 -0.4313084 0.4593569 -0.5310016 4.2138047 0.1124753 0.3755308 0.2690962 3.7914371 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 289, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/87) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.594 ( 0.000 0.000 0.000) 0.000 0.717 ( 0.000 0.000 0.000) 0.000 0.764 ( 0.000 0.000 0.000) 0.000 0.820 ( 0.000 0.000 0.000) 0.000 0.908 ( 0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.030 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/87) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 11.952 0.000 -3.165) 12.363 0.289 ( 14.634 0.000 -2.279) 14.811 0.706 ( 26.108 0.000 -1.879) 26.176 0.799 ( 12.555 0.000 2.861) 12.877 0.881 ( 15.484 0.000 -0.920) 15.511 0.910 ( 0.108 0.000 -0.262) 0.283 0.947 ( 11.452 0.000 2.258) 11.673 1.016 ( 1.482 0.000 -1.733) 2.280 1.072 ( 1.653 0.000 -0.887) 1.876 1.119 ( 11.194 0.000 3.553) 11.745 1.156 ( 3.142 0.000 -0.162) 3.146 1.253 ( 4.252 0.000 0.513) 4.283 1.261 ( 2.581 0.000 -0.659) 2.664 1.375 ( 4.598 0.000 1.285) 4.774 1.427 ( 0.930 0.000 -0.900) 1.294 1.475 ( 0.031 0.000 -3.029) 3.029 1.530 ( 3.390 0.000 1.942) 3.907 1.578 ( 3.788 0.000 0.227) 3.795 1.716 ( 4.407 0.000 1.808) 4.763 1.744 ( -0.339 0.000 0.708) 0.785 1.859 ( 3.145 0.000 -1.071) 3.322 1.913 ( 0.685 0.000 2.559) 2.649 1.966 ( 3.029 0.000 -5.975) 6.699 1.978 ( -0.992 0.000 -2.337) 2.539 2.314 ( -2.888 0.000 4.421) 5.281 2.381 ( -0.101 0.000 -2.995) 2.997 2.536 ( -0.037 0.000 -6.645) 6.645 2.758 ( 0.520 0.000 0.050) 0.522 2.965 ( 2.122 0.000 3.349) 3.965 2.995 ( 4.900 0.000 -1.302) 5.070 3.139 ( 4.593 0.000 -0.445) 4.614 3.140 ( 6.118 0.000 -1.373) 6.270 3.263 ( 2.544 0.000 0.924) 2.707 3.403 ( 2.782 0.000 13.646) 13.927 3.490 ( 3.625 0.000 -0.747) 3.702 3.598 ( 4.060 0.000 -0.948) 4.169 4.338 ( 1.626 0.000 2.800) 3.238 4.671 ( 20.614 0.000 0.237) 20.615 4.694 ( 19.246 0.000 -0.058) 19.246 4.780 ( 29.883 0.000 -2.590) 29.994 4.824 ( 9.477 0.000 -4.995) 10.713 5.168 ( 13.948 0.000 4.962) 14.804 5.623 ( 0.940 0.000 2.055) 2.260 5.721 ( -0.481 0.000 -3.423) 3.456 5.762 ( -6.962 0.000 -1.909) 7.219 5.996 ( -9.694 0.000 -2.733) 10.072 6.027 ( -3.365 0.000 2.243) 4.044 6.214 ( 1.488 0.000 -14.628) 14.703 6.551 ( 2.073 0.000 10.791) 10.989 6.578 ( 2.719 0.000 7.532) 8.008 6.615 ( -3.124 0.000 -0.524) 3.168 6.698 ( 4.516 0.000 -5.294) 6.959 6.822 ( 3.696 0.000 0.679) 3.758 7.006 ( -4.100 0.000 4.349) 5.977 7.206 ( 3.517 0.000 2.371) 4.242 7.271 ( -2.098 0.000 -2.822) 3.516 7.909 ( 0.722 0.000 0.918) 1.167 7.922 ( 2.143 0.000 0.444) 2.189 7.986 ( 2.811 0.000 -0.463) 2.849 8.089 ( 1.177 0.000 1.521) 1.923 8.750 ( 0.774 0.000 0.396) 0.870 9.014 ( -1.509 0.000 -0.120) 1.514 9.027 ( 0.044 0.000 2.105) 2.105 9.141 ( -0.771 0.000 -0.417) 0.876 9.514 ( 3.182 0.000 -24.331) 24.538 9.548 ( 2.705 0.000 -6.602) 7.135 9.561 ( -2.618 0.000 1.974) 3.279 9.681 ( -2.417 0.000 3.163) 3.981 10.468 ( -2.206 0.000 4.624) 5.123 10.497 ( -0.777 0.000 2.574) 2.688 10.570 ( 2.488 0.000 -1.671) 2.997 10.651 ( 3.752 0.000 -1.715) 4.125 ======================= Grid point 2 (3/87) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 10.107 0.000 -1.853) 10.275 0.598 ( 13.798 0.000 -0.982) 13.833 0.893 ( -0.627 0.000 0.616) 0.880 0.949 ( 5.262 0.000 0.898) 5.338 1.018 ( 2.147 0.000 -0.412) 2.186 1.031 ( 2.976 0.000 0.313) 2.992 1.112 ( 2.211 0.000 -1.180) 2.506 1.164 ( 2.951 0.000 0.437) 2.983 1.204 ( 8.512 0.000 -1.749) 8.690 1.232 ( 0.563 0.000 -0.564) 0.797 1.262 ( 7.039 0.000 0.275) 7.045 1.323 ( 1.584 0.000 -0.568) 1.682 1.398 ( 8.763 0.000 3.487) 9.432 1.456 ( 1.488 0.000 -4.057) 4.321 1.502 ( 6.586 0.000 0.262) 6.592 1.563 ( 9.311 0.000 0.288) 9.315 1.646 ( 5.403 0.000 1.273) 5.551 1.735 ( 11.029 0.000 0.756) 11.055 1.750 ( 1.387 0.000 0.500) 1.474 1.843 ( 6.100 0.000 1.058) 6.191 1.887 ( -0.321 0.000 1.492) 1.526 1.952 ( 0.703 0.000 -2.958) 3.040 1.992 ( 5.793 0.000 -0.220) 5.797 2.066 ( 7.337 0.000 -3.826) 8.275 2.239 ( -4.260 0.000 4.976) 6.550 2.349 ( -2.742 0.000 -2.360) 3.618 2.534 ( 0.207 0.000 -3.351) 3.357 2.782 ( 1.700 0.000 -0.367) 1.739 3.007 ( 1.835 0.000 1.292) 2.244 3.086 ( 3.421 0.000 -1.305) 3.662 3.268 ( 5.319 0.000 -1.068) 5.425 3.287 ( 8.731 0.000 -0.390) 8.740 3.320 ( 2.344 0.000 0.724) 2.453 3.501 ( 6.185 0.000 4.546) 7.676 3.604 ( 6.884 0.000 -1.102) 6.972 3.706 ( 6.085 0.000 -1.524) 6.273 4.373 ( 1.139 0.000 3.908) 4.071 4.919 ( 2.859 0.000 -4.560) 5.382 5.014 ( 7.278 0.000 -2.306) 7.635 5.132 ( 15.493 0.000 -1.006) 15.525 5.469 ( 0.468 0.000 2.091) 2.143 5.524 ( 20.406 0.000 -3.103) 20.640 5.651 ( 0.837 0.000 1.555) 1.766 5.691 ( 10.866 0.000 1.577) 10.980 5.707 ( -0.292 0.000 0.350) 0.456 5.870 ( 11.755 0.000 -4.928) 12.746 6.067 ( 9.969 0.000 0.386) 9.977 6.308 ( 8.475 0.000 -4.301) 9.504 6.514 ( -4.632 0.000 3.741) 5.954 6.622 ( 3.292 0.000 2.480) 4.121 6.649 ( 3.435 0.000 6.196) 7.084 6.784 ( 3.191 0.000 -3.761) 4.932 6.928 ( 6.071 0.000 0.956) 6.146 6.959 ( 0.542 0.000 2.018) 2.090 7.218 ( -2.365 0.000 -3.742) 4.427 7.265 ( 1.930 0.000 0.379) 1.967 7.938 ( 2.109 0.000 0.988) 2.329 7.981 ( 3.439 0.000 0.159) 3.443 8.056 ( 3.270 0.000 -1.717) 3.693 8.129 ( 2.673 0.000 1.673) 3.153 8.767 ( 0.573 0.000 0.882) 1.052 8.968 ( -2.874 0.000 -0.192) 2.880 9.042 ( 1.241 0.000 2.578) 2.861 9.122 ( -0.980 0.000 -0.664) 1.184 9.503 ( -2.537 0.000 2.304) 3.427 9.575 ( 3.252 0.000 -13.219) 13.613 9.623 ( -2.849 0.000 3.902) 4.832 9.624 ( 3.976 0.000 -5.255) 6.589 10.415 ( -2.733 0.000 4.322) 5.114 10.472 ( -1.570 0.000 1.726) 2.333 10.633 ( 3.169 0.000 -1.991) 3.743 10.739 ( 4.115 0.000 -1.744) 4.470 ======================= Grid point 3 (4/87) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 6.982 0.000 -0.679) 7.015 0.844 ( 9.051 0.000 -0.206) 9.054 0.868 ( -1.453 0.000 0.093) 1.456 0.962 ( -1.110 0.000 -0.433) 1.191 1.046 ( -1.284 0.000 0.489) 1.374 1.120 ( 3.203 0.000 -0.399) 3.228 1.144 ( 0.856 0.000 -0.638) 1.068 1.205 ( 0.803 0.000 -0.143) 0.815 1.216 ( 2.634 0.000 0.169) 2.639 1.294 ( 0.405 0.000 0.896) 0.983 1.320 ( -0.255 0.000 -0.701) 0.746 1.374 ( 3.016 0.000 0.511) 3.059 1.470 ( 1.231 0.000 4.005) 4.190 1.485 ( 0.753 0.000 -3.600) 3.678 1.623 ( 3.697 0.000 -0.257) 3.706 1.677 ( -1.356 0.000 0.892) 1.623 1.752 ( 5.688 0.000 -1.529) 5.890 1.811 ( 2.763 0.000 1.214) 3.018 1.877 ( 0.440 0.000 -2.039) 2.086 1.909 ( 0.497 0.000 -0.175) 0.527 1.997 ( 11.483 0.000 0.787) 11.510 2.022 ( 4.603 0.000 -0.857) 4.682 2.102 ( 0.407 0.000 1.147) 1.217 2.172 ( 0.902 0.000 2.744) 2.889 2.240 ( 6.096 0.000 -1.298) 6.233 2.279 ( -3.245 0.000 -1.253) 3.478 2.564 ( 3.267 0.000 -1.727) 3.696 2.818 ( 1.311 0.000 -0.331) 1.352 3.043 ( 1.335 0.000 0.163) 1.345 3.142 ( 1.914 0.000 -0.734) 2.050 3.353 ( 2.614 0.000 -0.859) 2.752 3.354 ( 0.922 0.000 0.620) 1.111 3.465 ( 7.213 0.000 -0.270) 7.218 3.655 ( 7.357 0.000 1.370) 7.483 3.751 ( 6.087 0.000 -0.541) 6.111 3.840 ( 5.904 0.000 -1.398) 6.067 4.379 ( -0.541 0.000 2.900) 2.950 4.979 ( 2.834 0.000 -2.371) 3.695 4.988 ( -5.785 0.000 -1.040) 5.877 5.252 ( -1.472 0.000 -0.814) 1.682 5.275 ( -8.932 0.000 0.157) 8.933 5.454 ( -8.716 0.000 -1.437) 8.834 5.656 ( 0.091 0.000 -1.166) 1.169 5.710 ( 0.144 0.000 1.638) 1.644 6.203 ( 20.701 0.000 -0.949) 20.723 6.323 ( 5.379 0.000 2.361) 5.875 6.350 ( 19.768 0.000 -1.971) 19.866 6.411 ( 3.629 0.000 -2.500) 4.407 6.557 ( 7.632 0.000 -0.834) 7.678 6.685 ( 1.784 0.000 3.725) 4.130 6.703 ( 0.813 0.000 4.521) 4.593 6.825 ( 0.884 0.000 -2.392) 2.550 7.066 ( 6.427 0.000 -1.160) 6.531 7.070 ( 9.346 0.000 2.167) 9.594 7.183 ( -0.735 0.000 -0.450) 0.861 7.294 ( 0.857 0.000 -1.513) 1.739 7.998 ( 3.192 0.000 0.471) 3.226 8.060 ( 3.584 0.000 0.127) 3.586 8.109 ( 1.582 0.000 -1.182) 1.975 8.199 ( 3.415 0.000 0.690) 3.484 8.775 ( 0.423 0.000 1.286) 1.353 8.896 ( -3.768 0.000 -0.465) 3.797 9.070 ( 1.005 0.000 2.041) 2.275 9.103 ( -0.649 0.000 -0.783) 1.017 9.465 ( -1.149 0.000 1.389) 1.803 9.574 ( -1.715 0.000 2.478) 3.014 9.640 ( 3.055 0.000 -7.073) 7.704 9.687 ( 1.793 0.000 -3.293) 3.749 10.369 ( -1.489 0.000 3.123) 3.459 10.437 ( -1.570 0.000 1.041) 1.884 10.689 ( 2.022 0.000 -1.178) 2.340 10.809 ( 2.399 0.000 -0.945) 2.578 ======================= Grid point 4 (5/87) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -0.000 0.000 0.000) 0.000 0.845 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 -0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 -0.000) 0.000 1.153 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 -0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 -0.000) 0.000 1.487 ( -0.000 0.000 -0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 -0.000) 0.000 1.813 ( 0.000 0.000 -0.000) 0.000 1.841 ( 0.000 0.000 -0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 -0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 -0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 -0.000) 0.000 2.621 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 -0.000) 0.000 3.058 ( 0.000 0.000 -0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 -0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 -0.000) 0.000 5.011 ( 0.000 0.000 -0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 -0.000) 0.000 6.492 ( 0.000 0.000 -0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 -0.000) 0.000 6.692 ( -0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 -0.000) 0.000 7.153 ( 0.000 0.000 -0.000) 0.000 7.174 ( -0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 -0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.111 ( -0.000 0.000 -0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.794 ( 0.000 0.000 -0.000) 0.000 8.833 ( 0.000 0.000 -0.000) 0.000 9.080 ( 0.000 0.000 -0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 -0.000) 0.000 9.695 ( -0.000 0.000 0.000) 0.000 10.355 ( 0.000 0.000 -0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 -0.000) 0.000 10.835 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/87) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 0.000 11.524 0.000) 11.524 0.354 ( 0.000 16.805 0.000) 16.805 0.514 ( 0.000 14.169 0.000) 14.169 0.571 ( 0.000 -2.040 0.000) 2.040 0.677 ( 0.000 -3.040 0.000) 3.040 0.764 ( 0.000 8.220 0.000) 8.220 0.919 ( 0.000 1.348 0.000) 1.348 0.949 ( 0.000 6.520 0.000) 6.520 0.972 ( 0.000 -6.872 0.000) 6.872 0.992 ( 0.000 -2.635 0.000) 2.635 1.143 ( 0.000 -3.017 0.000) 3.017 1.178 ( 0.000 4.705 0.000) 4.705 1.246 ( 0.000 0.276 0.000) 0.276 1.345 ( 0.000 -0.033 0.000) 0.033 1.416 ( 0.000 -1.032 0.000) 1.032 1.466 ( 0.000 -2.429 0.000) 2.429 1.487 ( 0.000 0.281 0.000) 0.281 1.575 ( 0.000 2.568 0.000) 2.568 1.670 ( 0.000 -0.111 0.000) 0.111 1.776 ( 0.000 -8.799 0.000) 8.799 1.796 ( 0.000 2.188 0.000) 2.188 1.883 ( 0.000 -1.457 0.000) 1.457 1.976 ( 0.000 1.122 0.000) 1.122 2.130 ( 0.000 -2.458 0.000) 2.458 2.365 ( 0.000 0.220 0.000) 0.220 2.386 ( 0.000 -1.060 0.000) 1.060 2.502 ( 0.000 6.042 0.000) 6.042 2.720 ( 0.000 -3.298 0.000) 3.298 2.870 ( 0.000 -3.487 0.000) 3.487 2.893 ( 0.000 -3.070 0.000) 3.070 3.067 ( 0.000 -0.689 0.000) 0.689 3.092 ( 0.000 -1.979 0.000) 1.979 3.166 ( 0.000 3.144 0.000) 3.144 3.230 ( 0.000 -0.444 0.000) 0.444 3.491 ( 0.000 3.058 0.000) 3.058 3.558 ( 0.000 0.235 0.000) 0.235 4.270 ( 0.000 1.290 0.000) 1.290 4.357 ( 0.000 -3.266 0.000) 3.266 4.572 ( 0.000 6.162 0.000) 6.162 4.696 ( 0.000 0.627 0.000) 0.627 5.074 ( 0.000 2.041 0.000) 2.041 5.081 ( 0.000 3.316 0.000) 3.316 5.479 ( 0.000 -9.240 0.000) 9.240 5.548 ( 0.000 -11.279 0.000) 11.279 5.968 ( 0.000 5.494 0.000) 5.494 6.011 ( 0.000 0.080 0.000) 0.080 6.094 ( 0.000 2.068 0.000) 2.068 6.211 ( 0.000 2.816 0.000) 2.816 6.495 ( 0.000 2.224 0.000) 2.224 6.602 ( 0.000 -2.833 0.000) 2.833 6.693 ( 0.000 5.470 0.000) 5.470 6.719 ( 0.000 1.889 0.000) 1.889 6.775 ( 0.000 -0.235 0.000) 0.235 7.031 ( 0.000 -5.002 0.000) 5.002 7.139 ( 0.000 2.414 0.000) 2.414 7.296 ( 0.000 -4.689 0.000) 4.689 7.908 ( 0.000 0.800 0.000) 0.800 7.938 ( 0.000 -0.465 0.000) 0.465 7.951 ( 0.000 2.831 0.000) 2.831 8.060 ( 0.000 -1.608 0.000) 1.608 8.982 ( 0.000 0.794 0.000) 0.794 9.023 ( 0.000 -0.658 0.000) 0.658 9.046 ( 0.000 1.442 0.000) 1.442 9.124 ( 0.000 -2.029 0.000) 2.029 9.327 ( 0.000 3.361 0.000) 3.361 9.470 ( 0.000 -2.583 0.000) 2.583 9.626 ( 0.000 0.647 0.000) 0.647 9.689 ( 0.000 -1.728 0.000) 1.728 10.453 ( 0.000 1.003 0.000) 1.003 10.491 ( 0.000 -0.501 0.000) 0.501 10.554 ( 0.000 1.096 0.000) 1.096 10.607 ( 0.000 -0.991 0.000) 0.991 ======================= Grid point 10 (7/87) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 6.401 12.620 -0.293) 14.153 0.479 ( 11.326 9.441 2.083) 14.891 0.701 ( 10.778 -3.087 1.197) 11.276 0.839 ( 14.209 6.384 -3.063) 15.876 0.881 ( 13.495 -0.516 0.283) 13.508 0.918 ( 2.553 1.036 -1.581) 3.176 0.932 ( 10.528 0.314 -0.346) 10.539 0.997 ( 3.539 -3.602 -1.643) 5.310 1.023 ( 6.708 -1.842 4.193) 8.122 1.100 ( 10.635 1.740 -0.753) 10.803 1.189 ( 2.622 0.986 -1.632) 3.242 1.227 ( 4.035 0.404 -0.983) 4.172 1.270 ( 3.114 -0.189 1.811) 3.608 1.379 ( 3.246 0.094 -0.243) 3.257 1.427 ( 2.056 -0.208 -0.979) 2.286 1.490 ( 1.388 1.678 -2.000) 2.956 1.524 ( 3.879 -1.771 1.705) 4.592 1.606 ( 3.536 2.077 -0.677) 4.156 1.711 ( 3.854 -0.442 0.916) 3.986 1.781 ( 0.101 -0.041 -2.231) 2.234 1.832 ( 3.836 -5.534 1.645) 6.932 1.875 ( 0.077 -0.317 0.652) 0.729 1.967 ( -0.954 1.775 -1.009) 2.253 2.031 ( -2.739 1.652 -0.965) 3.341 2.330 ( -2.118 1.365 3.179) 4.057 2.392 ( -1.346 -0.290 -1.640) 2.141 2.551 ( 1.771 2.908 -3.302) 4.743 2.724 ( 0.497 -3.108 -0.348) 3.166 2.918 ( 3.054 -3.280 1.294) 4.664 2.946 ( 4.445 -3.421 -1.017) 5.700 3.127 ( 5.270 -0.564 -0.065) 5.300 3.192 ( 6.808 -1.910 -0.410) 7.083 3.222 ( 4.346 1.374 1.511) 4.802 3.307 ( 6.266 -1.897 1.726) 6.771 3.531 ( 3.537 2.644 -0.076) 4.416 3.603 ( 3.841 -0.089 -0.457) 3.869 4.549 ( 17.187 6.133 1.732) 18.331 4.650 ( 23.045 -2.352 -1.539) 23.216 4.778 ( -3.091 9.295 2.767) 10.179 4.839 ( 14.561 3.612 -4.318) 15.612 4.870 ( 17.101 5.475 -2.652) 18.151 5.189 ( 11.646 0.710 3.657) 12.228 5.466 ( -1.454 -9.780 3.074) 10.355 5.574 ( 1.992 -10.987 -5.292) 12.357 5.894 ( -5.525 6.672 -1.151) 8.739 5.967 ( -6.367 -0.079 -0.829) 6.421 6.091 ( -5.552 0.133 -1.690) 5.805 6.129 ( 2.048 -0.887 0.562) 2.302 6.532 ( 2.836 1.406 3.199) 4.500 6.608 ( -0.488 -0.950 -1.522) 1.859 6.705 ( -0.334 4.373 -1.969) 4.807 6.732 ( 1.792 4.215 2.311) 5.130 6.811 ( 3.132 -1.138 1.223) 3.550 6.964 ( -4.148 -4.085 2.163) 6.211 7.207 ( 2.696 0.332 1.398) 3.055 7.259 ( 0.201 -1.383 -1.430) 1.999 7.904 ( 0.178 0.699 1.406) 1.580 7.953 ( 1.300 0.041 0.543) 1.409 7.991 ( 3.224 1.915 -1.676) 4.107 8.082 ( 1.703 -1.046 1.056) 2.261 8.843 ( -4.178 5.737 2.918) 7.674 8.981 ( -2.481 -1.997 1.458) 3.503 9.063 ( 0.602 2.144 1.055) 2.464 9.137 ( -0.383 -0.713 -0.023) 0.809 9.458 ( 5.929 -2.302 -14.940) 16.237 9.511 ( 3.095 -2.655 -3.668) 5.484 9.587 ( -2.363 1.522 -0.368) 2.835 9.664 ( -2.275 -1.703 1.854) 3.393 10.459 ( -0.977 -0.371 4.112) 4.243 10.476 ( -0.965 -0.832 1.190) 1.744 10.592 ( 2.964 1.515 -1.541) 3.668 10.647 ( 3.432 -0.687 -1.722) 3.901 ======================= Grid point 11 (8/87) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 7.384 7.506 -2.369) 10.793 0.700 ( 9.748 7.455 0.815) 12.299 0.858 ( 2.116 -3.985 -1.657) 4.807 0.919 ( 2.625 0.256 1.833) 3.212 0.978 ( 2.435 -2.934 -0.611) 3.861 1.005 ( 2.623 -6.893 2.961) 7.948 1.087 ( 4.463 1.676 -1.071) 4.886 1.156 ( 4.440 -0.679 -0.890) 4.579 1.228 ( 5.060 -0.148 0.909) 5.143 1.238 ( 3.899 -0.228 -2.269) 4.517 1.254 ( 1.230 1.078 -0.137) 1.641 1.322 ( 1.174 -0.400 0.127) 1.247 1.417 ( 8.912 1.598 3.059) 9.557 1.447 ( 3.676 -0.121 -1.701) 4.052 1.542 ( 5.065 3.406 -2.178) 6.481 1.565 ( 9.285 0.643 -0.295) 9.312 1.634 ( 5.271 -1.273 1.086) 5.530 1.743 ( 6.443 -0.263 -1.584) 6.640 1.789 ( 5.856 2.698 0.463) 6.464 1.847 ( 5.317 0.738 -0.168) 5.371 1.890 ( 1.456 -0.230 2.728) 3.101 1.930 ( 2.908 -1.845 -0.892) 3.557 1.991 ( 6.184 0.366 -1.569) 6.391 2.055 ( 5.330 -1.199 -2.456) 5.990 2.264 ( -4.185 2.146 3.914) 6.118 2.339 ( -3.195 -0.999 -1.045) 3.507 2.570 ( 0.652 3.452 -2.655) 4.403 2.746 ( 1.527 -3.381 -0.643) 3.766 2.975 ( 2.317 -2.049 0.498) 3.133 3.036 ( 3.526 -3.918 -1.714) 5.542 3.275 ( 7.856 -0.004 0.543) 7.875 3.317 ( 4.750 -0.654 1.093) 4.918 3.341 ( 6.233 4.262 -1.389) 7.677 3.454 ( 7.404 -2.404 1.275) 7.888 3.635 ( 6.189 2.173 -0.654) 6.592 3.708 ( 6.011 -0.443 -0.795) 6.080 4.542 ( -3.908 14.162 3.496) 15.101 4.922 ( 0.400 -0.572 -3.296) 3.370 5.032 ( 8.376 1.558 -2.978) 9.026 5.137 ( 16.661 0.639 0.226) 16.675 5.378 ( 0.952 -8.570 0.688) 8.650 5.442 ( 7.675 -7.086 -2.687) 10.786 5.590 ( 13.813 0.011 1.843) 13.935 5.688 ( 10.054 -2.505 -0.063) 10.362 5.768 ( 1.082 5.349 -4.130) 6.844 5.940 ( 13.625 2.249 1.581) 13.900 6.077 ( 7.881 1.950 -1.289) 8.220 6.255 ( 10.270 -3.873 -1.430) 11.069 6.549 ( -4.217 3.388 3.529) 6.459 6.600 ( 2.663 -0.004 1.400) 3.008 6.679 ( -0.997 -0.526 -1.101) 1.576 6.760 ( -0.420 -1.785 3.853) 4.267 6.907 ( 5.448 -1.917 1.441) 5.953 6.929 ( 2.126 -2.169 -1.724) 3.492 7.227 ( 1.361 3.184 -0.941) 3.588 7.321 ( 3.347 1.998 -0.402) 3.919 7.925 ( 1.823 -0.011 1.340) 2.262 7.991 ( 2.244 -1.001 0.667) 2.546 8.067 ( 3.653 1.939 -1.956) 4.575 8.132 ( 3.022 -0.132 0.753) 3.117 8.803 ( -0.755 3.084 1.259) 3.416 8.931 ( -2.484 -2.741 0.730) 3.770 9.074 ( 0.581 2.201 1.935) 2.988 9.122 ( -0.876 -0.059 -0.146) 0.891 9.508 ( -1.951 0.488 2.103) 2.910 9.550 ( 2.713 -1.822 -7.648) 8.317 9.610 ( 3.153 -0.979 -4.644) 5.698 9.614 ( -1.067 -0.966 -1.440) 2.036 10.418 ( -2.395 0.360 3.871) 4.566 10.453 ( -1.410 -1.322 1.937) 2.736 10.658 ( 3.144 2.060 -1.826) 4.178 10.729 ( 3.920 -0.958 -1.748) 4.397 ======================= Grid point 12 (9/87) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 5.321 3.606 -2.404) 6.862 0.857 ( -0.027 -0.854 0.602) 1.045 0.873 ( 4.592 2.369 -1.601) 5.409 0.929 ( 0.039 -1.254 1.567) 2.008 1.042 ( 0.648 -4.276 2.469) 4.980 1.059 ( 2.991 -4.788 -0.306) 5.654 1.139 ( 1.010 2.617 -1.340) 3.109 1.216 ( 1.903 0.750 -0.218) 2.057 1.240 ( 0.276 1.154 -0.557) 1.311 1.278 ( 0.166 -1.281 1.179) 1.749 1.312 ( 0.563 -0.692 -0.086) 0.897 1.343 ( 2.662 -2.242 0.005) 3.480 1.493 ( 1.480 1.314 1.089) 2.259 1.500 ( 1.209 1.100 -0.125) 1.639 1.626 ( 2.611 0.365 -0.473) 2.678 1.661 ( -0.693 -1.287 1.221) 1.905 1.761 ( 5.590 1.282 -2.645) 6.316 1.826 ( 3.373 0.488 0.163) 3.412 1.875 ( -0.173 0.560 -1.871) 1.961 1.920 ( 1.041 0.365 -0.027) 1.104 2.014 ( 8.461 1.120 1.100) 8.606 2.033 ( 6.008 0.852 0.124) 6.069 2.132 ( 4.268 1.919 -0.955) 4.776 2.176 ( -1.384 1.097 2.617) 3.157 2.225 ( 6.579 -1.207 -0.783) 6.735 2.269 ( -3.090 -0.946 -0.050) 3.232 2.600 ( 2.520 3.385 -1.431) 4.456 2.780 ( 1.402 -3.533 -0.452) 3.827 3.016 ( 1.485 -1.500 -0.159) 2.116 3.093 ( 1.963 -4.023 -0.960) 4.578 3.388 ( 2.185 2.472 0.766) 3.387 3.396 ( 2.815 2.684 -0.220) 3.895 3.488 ( 7.154 2.420 -0.668) 7.582 3.620 ( 7.602 -2.862 0.367) 8.131 3.771 ( 5.871 1.795 -0.460) 6.156 3.841 ( 5.812 -0.475 -0.726) 5.876 4.479 ( -2.464 9.441 2.218) 10.006 4.908 ( -1.360 -6.840 -1.450) 7.123 5.024 ( -5.156 3.514 -1.076) 6.332 5.237 ( -7.420 -3.936 -0.334) 8.406 5.289 ( 0.497 3.191 -0.612) 3.286 5.426 ( -4.989 -2.540 -1.134) 5.712 5.641 ( -0.111 -1.061 -1.007) 1.467 5.675 ( -0.742 -2.716 1.090) 3.019 6.220 ( 17.252 2.425 -0.919) 17.446 6.341 ( 11.949 -0.068 0.505) 11.960 6.387 ( 18.043 3.196 -2.139) 18.449 6.426 ( 1.808 1.907 -2.910) 3.921 6.547 ( 7.238 -0.624 0.514) 7.283 6.628 ( -0.824 -3.960 3.412) 5.291 6.679 ( 0.477 -2.674 2.767) 3.877 6.750 ( 0.571 -6.008 0.509) 6.057 7.016 ( 5.315 -1.614 -1.433) 5.736 7.037 ( 5.695 -2.029 1.349) 6.195 7.291 ( 4.737 7.540 -0.155) 8.906 7.380 ( 2.188 4.706 -0.584) 5.223 7.977 ( 2.660 -0.844 0.547) 2.844 8.046 ( 2.683 -2.442 0.632) 3.683 8.134 ( 2.626 2.857 -1.315) 4.097 8.204 ( 3.374 0.125 0.171) 3.381 8.792 ( -0.293 1.506 1.025) 1.845 8.872 ( -3.049 -1.993 0.077) 3.643 9.086 ( 0.322 1.208 1.770) 2.166 9.104 ( -0.749 0.079 -0.444) 0.874 9.474 ( -1.070 0.986 1.400) 2.020 9.549 ( -1.240 -2.082 1.975) 3.127 9.641 ( 2.778 0.120 -6.233) 6.825 9.673 ( 2.022 -1.207 -3.687) 4.375 10.376 ( -1.449 0.699 2.794) 3.224 10.422 ( -1.446 -1.262 1.318) 2.328 10.714 ( 1.983 2.135 -1.091) 3.111 10.797 ( 2.300 -1.239 -0.951) 2.780 ======================= Grid point 13 (10/87) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 1.558 0.000) 1.558 0.849 ( 0.000 -0.564 0.000) 0.564 0.891 ( 0.000 0.002 -0.000) 0.002 0.964 ( 0.000 -0.852 0.000) 0.852 1.041 ( 0.000 -1.293 0.000) 1.293 1.088 ( 0.000 -4.856 -0.000) 4.856 1.149 ( 0.000 2.402 -0.000) 2.402 1.222 ( 0.000 -0.014 0.000) 0.014 1.264 ( 0.000 -0.971 -0.000) 0.971 1.272 ( 0.000 -0.485 0.000) 0.485 1.320 ( 0.000 0.588 -0.000) 0.588 1.375 ( 0.000 -2.493 0.000) 2.493 1.508 ( 0.000 1.404 -0.000) 1.404 1.513 ( 0.000 1.542 0.000) 1.542 1.645 ( 0.000 -0.403 0.000) 0.403 1.652 ( 0.000 -0.530 -0.000) 0.530 1.835 ( -0.000 0.207 0.000) 0.207 1.844 ( 0.000 2.700 -0.000) 2.700 1.887 ( 0.000 -1.007 0.000) 1.007 1.921 ( 0.000 0.607 -0.000) 0.607 2.090 ( 0.000 1.008 0.000) 1.008 2.096 ( 0.000 0.933 -0.000) 0.933 2.137 ( 0.000 1.835 0.000) 1.835 2.226 ( 0.000 -1.119 0.000) 1.119 2.236 ( 0.000 1.669 -0.000) 1.669 2.286 ( 0.000 -0.265 -0.000) 0.265 2.642 ( 0.000 2.221 0.000) 2.221 2.795 ( 0.000 -3.308 -0.000) 3.308 3.032 ( 0.000 -1.369 0.000) 1.369 3.115 ( 0.000 -4.042 0.000) 4.042 3.408 ( 0.000 3.480 0.000) 3.480 3.425 ( 0.000 2.982 -0.000) 2.982 3.576 ( 0.000 2.464 0.000) 2.464 3.715 ( 0.000 -2.892 0.000) 2.892 3.842 ( 0.000 1.757 0.000) 1.757 3.911 ( 0.000 -0.516 0.000) 0.516 4.448 ( 0.000 7.788 0.000) 7.788 4.885 ( 0.000 -9.927 -0.000) 9.927 4.948 ( 0.000 3.976 0.000) 3.976 5.142 ( 0.000 -3.021 0.000) 3.021 5.300 ( 0.000 4.889 0.000) 4.889 5.350 ( 0.000 0.597 0.000) 0.597 5.641 ( 0.000 -1.374 0.000) 1.374 5.667 ( 0.000 -3.610 -0.000) 3.610 6.329 ( 0.000 1.936 0.000) 1.936 6.489 ( 0.000 3.358 -0.000) 3.358 6.499 ( 0.000 0.656 -0.000) 0.656 6.587 ( 0.000 1.190 0.000) 1.190 6.601 ( -0.000 -6.488 0.000) 6.488 6.632 ( 0.000 -1.830 -0.000) 1.830 6.676 ( -0.000 -1.913 0.000) 1.913 6.768 ( 0.000 -5.214 -0.000) 5.214 7.084 ( 0.000 -2.000 -0.000) 2.000 7.106 ( 0.000 -2.329 0.000) 2.329 7.378 ( 0.000 8.035 0.000) 8.035 7.393 ( -0.000 6.101 -0.000) 6.101 8.011 ( 0.000 -1.343 0.000) 1.343 8.081 ( 0.000 -3.136 0.000) 3.136 8.165 ( 0.000 3.734 0.000) 3.734 8.246 ( 0.000 0.037 -0.000) 0.037 8.800 ( 0.000 0.391 0.000) 0.391 8.822 ( 0.000 -0.863 -0.000) 0.863 9.089 ( 0.000 0.596 -0.000) 0.596 9.095 ( 0.000 -0.045 0.000) 0.045 9.464 ( 0.000 1.045 0.000) 1.045 9.536 ( 0.000 -1.797 0.000) 1.797 9.680 ( 0.000 -0.291 -0.000) 0.291 9.687 ( -0.000 -0.661 0.000) 0.661 10.362 ( 0.000 0.645 -0.000) 0.645 10.404 ( 0.000 -1.126 0.000) 1.126 10.736 ( 0.000 2.133 -0.000) 2.133 10.821 ( 0.000 -1.332 -0.000) 1.332 ======================= Grid point 18 (11/87) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 -8.047 0.000) 8.047 0.449 ( 0.000 8.047 0.000) 8.047 0.595 ( 0.000 -2.797 0.000) 2.797 0.595 ( 0.000 2.797 0.000) 2.797 0.725 ( 0.000 -10.956 0.000) 10.956 0.725 ( 0.000 10.956 0.000) 10.956 0.927 ( 0.000 -3.163 0.000) 3.163 0.927 ( 0.000 3.163 0.000) 3.163 1.063 ( 0.000 -4.042 0.000) 4.042 1.063 ( 0.000 4.042 0.000) 4.042 1.138 ( 0.000 -10.763 0.000) 10.763 1.138 ( 0.000 10.763 0.000) 10.763 1.305 ( 0.000 -4.469 0.000) 4.469 1.305 ( 0.000 4.469 0.000) 4.469 1.422 ( 0.000 -1.840 0.000) 1.840 1.422 ( 0.000 1.840 0.000) 1.840 1.538 ( 0.000 -6.258 0.000) 6.258 1.538 ( 0.000 6.258 0.000) 6.258 1.658 ( 0.000 -0.757 0.000) 0.757 1.658 ( 0.000 0.757 0.000) 0.757 1.845 ( 0.000 -2.389 0.000) 2.389 1.845 ( 0.000 2.389 0.000) 2.389 2.046 ( 0.000 -5.009 0.000) 5.009 2.046 ( 0.000 5.009 0.000) 5.009 2.372 ( 0.000 -0.427 0.000) 0.427 2.372 ( 0.000 0.427 0.000) 0.427 2.627 ( 0.000 -5.728 0.000) 5.728 2.627 ( 0.000 5.728 0.000) 5.728 2.842 ( 0.000 -1.032 0.000) 1.032 2.842 ( 0.000 1.032 0.000) 1.032 3.065 ( 0.000 -0.582 0.000) 0.582 3.065 ( 0.000 0.582 0.000) 0.582 3.212 ( 0.000 -1.465 0.000) 1.465 3.212 ( 0.000 1.465 0.000) 1.465 3.545 ( 0.000 -1.789 0.000) 1.789 3.545 ( 0.000 1.789 0.000) 1.789 4.304 ( 0.000 -2.065 0.000) 2.065 4.304 ( 0.000 2.065 0.000) 2.065 4.674 ( 0.000 -3.320 0.000) 3.320 4.674 ( 0.000 3.320 0.000) 3.320 5.128 ( 0.000 -1.184 0.000) 1.184 5.128 ( 0.000 1.184 0.000) 1.184 5.375 ( 0.000 -2.525 0.000) 2.525 5.375 ( 0.000 2.525 0.000) 2.525 6.016 ( 0.000 -0.111 0.000) 0.111 6.016 ( 0.000 0.111 0.000) 0.111 6.178 ( 0.000 -4.669 0.000) 4.669 6.178 ( 0.000 4.669 0.000) 4.669 6.548 ( 0.000 -2.612 0.000) 2.612 6.548 ( 0.000 2.612 0.000) 2.612 6.747 ( 0.000 -0.760 0.000) 0.760 6.747 ( 0.000 0.760 0.000) 0.760 6.878 ( 0.000 -9.349 0.000) 9.349 6.878 ( 0.000 9.349 0.000) 9.349 7.204 ( 0.000 -3.974 0.000) 3.974 7.204 ( 0.000 3.974 0.000) 3.974 7.925 ( 0.000 -0.790 0.000) 0.790 7.925 ( 0.000 0.790 0.000) 0.790 8.013 ( 0.000 -2.908 0.000) 2.908 8.013 ( 0.000 2.908 0.000) 2.908 9.003 ( 0.000 -1.180 0.000) 1.180 9.003 ( 0.000 1.180 0.000) 1.180 9.082 ( 0.000 -2.016 0.000) 2.016 9.082 ( 0.000 2.016 0.000) 2.016 9.403 ( 0.000 -3.789 0.000) 3.789 9.403 ( 0.000 3.789 0.000) 3.789 9.651 ( 0.000 -1.760 0.000) 1.760 9.651 ( 0.000 1.760 0.000) 1.760 10.476 ( 0.000 -1.038 0.000) 1.038 10.476 ( 0.000 1.038 0.000) 1.038 10.581 ( 0.000 -1.462 0.000) 1.462 10.581 ( 0.000 1.462 0.000) 1.462 ======================= Grid point 20 (12/87) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 10.190 -2.835 -0.360) 10.583 0.592 ( 10.190 2.835 -0.360) 10.583 0.732 ( 4.121 -10.849 4.137) 12.321 0.732 ( 4.121 10.849 4.137) 12.321 0.902 ( 10.329 -1.685 -3.025) 10.894 0.902 ( 10.329 1.685 -3.025) 10.894 0.944 ( 5.305 -2.629 0.703) 5.962 0.944 ( 5.305 2.629 0.703) 5.962 1.149 ( 6.517 -2.286 -1.083) 6.991 1.149 ( 6.517 2.286 -1.083) 6.991 1.179 ( 5.732 -7.706 0.707) 9.630 1.179 ( 5.732 7.706 0.707) 9.630 1.331 ( 2.382 -4.615 -1.021) 5.292 1.331 ( 2.382 4.615 -1.021) 5.292 1.466 ( 4.131 -3.366 0.900) 5.404 1.466 ( 4.131 3.366 0.900) 5.404 1.569 ( 2.767 -6.363 -3.964) 7.991 1.569 ( 2.767 6.363 -3.964) 7.991 1.702 ( 4.706 -1.375 0.402) 4.920 1.702 ( 4.706 1.375 0.402) 4.920 1.848 ( 0.495 -2.145 1.350) 2.583 1.848 ( 0.495 2.145 1.350) 2.583 2.017 ( -1.902 -2.402 0.051) 3.064 2.017 ( -1.902 2.402 0.051) 3.064 2.363 ( -1.331 -1.867 0.811) 2.431 2.363 ( -1.331 1.867 0.811) 2.431 2.641 ( 0.845 -4.892 -1.228) 5.114 2.641 ( 0.845 4.892 -1.228) 5.114 2.892 ( 3.881 -1.099 -0.629) 4.082 2.892 ( 3.881 1.099 -0.629) 4.082 3.135 ( 5.904 -1.610 0.394) 6.132 3.135 ( 5.904 1.610 0.394) 6.132 3.277 ( 5.726 -1.916 -0.194) 6.041 3.277 ( 5.726 1.916 -0.194) 6.041 3.582 ( 3.346 -2.021 -0.207) 3.915 3.582 ( 3.346 2.021 -0.207) 3.915 4.608 ( 25.106 -1.861 -0.569) 25.181 4.608 ( 25.106 1.861 -0.569) 25.181 4.867 ( 10.342 -0.903 -1.641) 10.510 4.867 ( 10.342 0.903 -1.641) 10.510 5.085 ( 3.061 -11.469 0.758) 11.894 5.085 ( 3.061 11.469 0.758) 11.894 5.396 ( 3.230 -4.768 -0.315) 5.767 5.396 ( 3.230 4.768 -0.315) 5.767 5.965 ( -5.607 -1.497 -2.702) 6.402 5.965 ( -5.607 1.497 -2.702) 6.402 6.111 ( -2.989 -2.562 2.688) 4.767 6.111 ( -2.989 2.562 2.688) 4.767 6.573 ( 1.893 -2.201 -0.656) 2.976 6.573 ( 1.893 2.201 -0.656) 2.976 6.775 ( 1.274 -2.496 2.162) 3.539 6.775 ( 1.274 2.496 2.162) 3.539 6.848 ( -2.516 -6.744 -0.991) 7.266 6.848 ( -2.516 6.744 -0.991) 7.266 7.226 ( 2.671 -1.525 0.602) 3.133 7.226 ( 2.671 1.525 0.602) 3.133 7.930 ( 0.509 -1.580 0.783) 1.835 7.930 ( 0.509 1.580 0.783) 1.835 8.044 ( 2.654 -2.545 -0.586) 3.724 8.044 ( 2.654 2.545 -0.586) 3.724 8.931 ( -3.929 -3.196 2.745) 5.761 8.931 ( -3.929 3.196 2.745) 5.761 9.107 ( 0.702 -2.087 0.427) 2.243 9.107 ( 0.702 2.087 0.427) 2.243 9.460 ( 4.232 -1.930 -6.807) 8.244 9.460 ( 4.232 1.930 -6.807) 8.244 9.623 ( -2.169 -2.059 0.718) 3.076 9.623 ( -2.169 2.059 0.718) 3.076 10.462 ( -1.197 -0.554 2.238) 2.598 10.462 ( -1.197 0.554 2.238) 2.598 10.623 ( 3.417 -1.482 -1.665) 4.079 10.623 ( 3.417 1.482 -1.665) 4.079 ======================= Grid point 22 (13/87) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 4.532 -7.200 -4.510) 9.629 0.748 ( 4.532 7.200 -4.510) 9.629 0.841 ( 5.509 -6.102 3.986) 9.137 0.841 ( 5.509 6.102 3.986) 9.137 0.941 ( 0.861 -1.359 2.603) 3.060 0.941 ( 0.861 1.359 2.603) 3.060 1.124 ( 5.793 -2.043 -2.028) 6.469 1.124 ( 5.793 2.043 -2.028) 6.469 1.226 ( 2.593 -0.912 -0.503) 2.795 1.226 ( 2.593 0.912 -0.503) 2.795 1.294 ( 0.827 -2.140 0.343) 2.320 1.294 ( 0.827 2.140 0.343) 2.320 1.443 ( 5.613 -0.702 1.351) 5.816 1.443 ( 5.613 0.702 1.351) 5.816 1.585 ( 5.038 -1.338 1.904) 5.549 1.585 ( 5.038 1.338 1.904) 5.549 1.668 ( 7.460 -5.818 -6.850) 11.680 1.668 ( 7.460 5.818 -6.850) 11.680 1.850 ( 7.082 -2.428 1.260) 7.592 1.850 ( 7.082 2.428 1.260) 7.592 1.889 ( 4.262 -1.719 1.665) 4.888 1.889 ( 4.262 1.719 1.665) 4.888 2.020 ( 3.926 -2.051 -1.649) 4.727 2.020 ( 3.926 2.051 -1.649) 4.727 2.309 ( -3.586 -1.982 1.468) 4.352 2.309 ( -3.586 1.982 1.468) 4.352 2.658 ( 1.053 -4.831 -1.402) 5.139 2.658 ( 1.053 4.831 -1.402) 5.139 2.969 ( 3.111 -1.873 -1.091) 3.792 2.969 ( 3.111 1.873 -1.091) 3.792 3.288 ( 7.868 -1.371 0.936) 8.041 3.288 ( 7.868 1.371 0.936) 8.041 3.414 ( 6.441 -2.427 -0.815) 6.931 3.414 ( 6.441 2.427 -0.815) 6.931 3.681 ( 5.883 -2.101 -0.504) 6.267 3.681 ( 5.883 2.101 -0.504) 6.267 4.823 ( -5.725 -10.763 0.877) 12.222 4.823 ( -5.725 10.763 0.877) 12.222 5.093 ( 12.618 -4.947 -0.672) 13.570 5.093 ( 12.618 4.947 -0.672) 13.570 5.309 ( 6.632 -4.308 -2.730) 8.366 5.309 ( 6.632 4.308 -2.730) 8.366 5.629 ( 10.014 -2.880 0.042) 10.420 5.629 ( 10.014 2.880 0.042) 10.420 5.884 ( 9.654 -5.612 -1.237) 11.235 5.884 ( 9.654 5.612 -1.237) 11.235 6.166 ( 9.545 -5.130 0.146) 10.837 6.166 ( 9.545 5.130 0.146) 10.837 6.609 ( 0.837 -1.161 -1.602) 2.149 6.609 ( 0.837 1.161 -1.602) 2.149 6.686 ( -6.168 -4.182 5.051) 9.003 6.686 ( -6.168 4.182 5.051) 9.003 6.897 ( 5.016 -1.068 -1.013) 5.227 6.897 ( 5.016 1.068 -1.013) 5.227 7.306 ( 4.437 -3.218 0.089) 5.481 7.306 ( 4.437 3.218 0.089) 5.481 7.950 ( 1.443 -2.200 1.137) 2.866 7.950 ( 1.443 2.200 1.137) 2.866 8.112 ( 3.602 -1.870 -0.977) 4.174 8.112 ( 3.602 1.870 -0.977) 4.174 8.870 ( -2.185 -3.248 1.448) 4.174 8.870 ( -2.185 3.248 1.448) 4.174 9.111 ( -0.169 -1.225 0.988) 1.583 9.111 ( -0.169 1.225 0.988) 1.583 9.522 ( 0.472 -0.896 -0.654) 1.206 9.522 ( 0.472 0.896 -0.654) 1.206 9.598 ( 1.316 -0.204 -4.873) 5.052 9.598 ( 1.316 0.204 -4.873) 5.052 10.430 ( -1.801 -0.887 2.822) 3.463 10.430 ( -1.801 0.887 2.822) 3.463 10.700 ( 3.525 -1.870 -1.741) 4.354 10.700 ( 3.525 1.870 -1.741) 4.354 ======================= Grid point 24 (14/87) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 1.508 -4.406 -3.581) 5.874 0.807 ( 1.508 4.406 -3.581) 5.874 0.932 ( 2.648 -1.793 0.087) 3.199 0.932 ( 2.648 1.793 0.087) 3.199 0.963 ( 1.205 -2.723 3.935) 4.935 0.963 ( 1.205 2.723 3.935) 4.935 1.206 ( 2.221 -2.688 -0.772) 3.571 1.206 ( 2.221 2.688 -0.772) 3.571 1.253 ( -0.488 -0.866 0.283) 1.033 1.253 ( -0.488 0.866 0.283) 1.033 1.310 ( 1.786 -0.807 -0.134) 1.965 1.310 ( 1.786 0.807 -0.134) 1.965 1.510 ( 1.627 -0.268 0.799) 1.832 1.510 ( 1.627 0.268 0.799) 1.832 1.638 ( 0.766 -0.851 0.261) 1.174 1.638 ( 0.766 0.851 0.261) 1.174 1.802 ( 4.503 -2.280 -2.743) 5.744 1.802 ( 4.503 2.280 -2.743) 5.744 1.907 ( 0.399 -1.683 0.121) 1.734 1.907 ( 0.399 1.683 0.121) 1.734 2.034 ( 6.220 -0.792 0.874) 6.330 2.034 ( 6.220 0.792 0.874) 6.330 2.170 ( 6.502 -2.055 -1.671) 7.021 2.170 ( 6.502 2.055 -1.671) 7.021 2.238 ( -1.918 -2.111 1.952) 3.456 2.238 ( -1.918 2.111 1.952) 3.456 2.689 ( 1.717 -5.014 -0.833) 5.365 2.689 ( 1.717 5.014 -0.833) 5.365 3.021 ( 1.785 -2.276 -0.780) 2.995 3.021 ( 1.785 2.276 -0.780) 2.995 3.420 ( 3.691 -0.355 0.592) 3.755 3.420 ( 3.691 0.355 0.592) 3.755 3.554 ( 6.911 -3.553 -0.699) 7.802 3.554 ( 6.911 3.553 -0.699) 7.802 3.813 ( 5.815 -2.065 -0.358) 6.181 3.813 ( 5.815 2.065 -0.358) 6.181 4.712 ( -4.444 -11.953 0.609) 12.767 4.712 ( -4.444 11.953 0.609) 12.767 5.125 ( -4.689 -6.156 -0.807) 7.781 5.125 ( -4.689 6.156 -0.807) 7.781 5.362 ( -0.268 -3.652 -1.047) 3.809 5.362 ( -0.268 3.652 -1.047) 3.809 5.635 ( -1.284 -0.804 -0.005) 1.515 5.635 ( -1.284 0.804 -0.005) 1.515 6.295 ( 16.040 -3.983 -0.975) 16.556 6.295 ( 16.040 3.983 -0.975) 16.556 6.446 ( 10.372 -1.490 -4.220) 11.296 6.446 ( 10.372 1.490 -4.220) 11.296 6.559 ( -0.359 -2.323 3.118) 3.905 6.559 ( -0.359 2.323 3.118) 3.905 6.654 ( 0.551 -1.841 2.639) 3.264 6.654 ( 0.551 1.841 2.639) 3.264 7.011 ( 5.238 -0.684 -0.100) 5.283 7.011 ( 5.238 0.684 -0.100) 5.283 7.406 ( 4.662 -2.694 -0.021) 5.384 7.406 ( 4.662 2.694 -0.021) 5.384 7.990 ( 2.083 -2.230 0.675) 3.125 7.990 ( 2.083 2.230 0.675) 3.125 8.188 ( 3.278 -1.889 -0.730) 3.853 8.188 ( 3.278 1.889 -0.730) 3.853 8.829 ( -1.741 -2.078 0.664) 2.791 8.829 ( -1.741 2.078 0.664) 2.791 9.103 ( -0.545 -0.337 0.747) 0.984 9.103 ( -0.545 0.337 0.747) 0.984 9.505 ( -0.962 -2.017 1.579) 2.736 9.505 ( -0.962 2.017 1.579) 2.736 9.650 ( 2.467 -0.873 -4.877) 5.535 9.650 ( 2.467 0.873 -4.877) 5.535 10.396 ( -1.389 -1.207 2.036) 2.745 10.396 ( -1.389 1.207 2.036) 2.745 10.761 ( 2.094 -2.211 -0.987) 3.202 10.761 ( 2.094 2.211 -0.987) 3.202 ======================= Grid point 26 (15/87) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.000 -1.929 0.000) 1.929 0.821 ( 0.000 1.929 0.000) 1.929 0.955 ( 0.000 -3.115 -0.000) 3.115 0.955 ( 0.000 3.115 0.000) 3.115 0.984 ( 0.000 -0.251 -0.000) 0.251 0.984 ( 0.000 0.251 0.000) 0.251 1.227 ( 0.000 -3.315 0.000) 3.315 1.227 ( 0.000 3.315 0.000) 3.315 1.242 ( 0.000 -0.841 -0.000) 0.841 1.242 ( 0.000 0.841 0.000) 0.841 1.335 ( 0.000 -1.166 0.000) 1.166 1.335 ( 0.000 1.166 0.000) 1.166 1.527 ( 0.000 -0.242 0.000) 0.242 1.527 ( 0.000 0.242 0.000) 0.242 1.643 ( 0.000 -0.222 0.000) 0.222 1.643 ( 0.000 0.222 0.000) 0.222 1.857 ( 0.000 -1.642 0.000) 1.642 1.857 ( 0.000 1.642 0.000) 1.642 1.902 ( 0.000 -2.381 -0.000) 2.381 1.902 ( 0.000 2.381 -0.000) 2.381 2.100 ( 0.000 -0.467 0.000) 0.467 2.100 ( 0.000 0.467 -0.000) 0.467 2.192 ( 0.000 -2.402 0.000) 2.402 2.192 ( 0.000 2.402 0.000) 2.402 2.269 ( 0.000 -1.384 0.000) 1.384 2.269 ( 0.000 1.384 -0.000) 1.384 2.711 ( 0.000 -4.361 0.000) 4.361 2.711 ( 0.000 4.361 -0.000) 4.361 3.040 ( 0.000 -2.429 0.000) 2.429 3.040 ( 0.000 2.429 -0.000) 2.429 3.455 ( 0.000 -0.515 -0.000) 0.515 3.455 ( 0.000 0.515 0.000) 0.515 3.644 ( 0.000 -3.843 0.000) 3.843 3.644 ( 0.000 3.843 0.000) 3.843 3.883 ( 0.000 -2.029 0.000) 2.029 3.883 ( 0.000 2.029 0.000) 2.029 4.658 ( 0.000 -11.853 0.000) 11.853 4.658 ( 0.000 11.853 0.000) 11.853 5.052 ( 0.000 -5.598 -0.000) 5.598 5.052 ( 0.000 5.598 -0.000) 5.598 5.357 ( 0.000 -0.572 0.000) 0.572 5.357 ( 0.000 0.572 0.000) 0.572 5.620 ( 0.000 -0.172 0.000) 0.172 5.620 ( 0.000 0.172 -0.000) 0.172 6.427 ( 0.000 -7.431 -0.000) 7.431 6.427 ( 0.000 7.431 0.000) 7.431 6.519 ( 0.000 -0.535 -0.000) 0.535 6.519 ( 0.000 0.535 -0.000) 0.535 6.629 ( 0.000 -1.893 0.000) 1.893 6.629 ( 0.000 1.893 0.000) 1.893 6.663 ( 0.000 -4.533 0.000) 4.533 6.663 ( 0.000 4.533 0.000) 4.533 7.077 ( 0.000 -0.686 0.000) 0.686 7.077 ( 0.000 0.686 -0.000) 0.686 7.466 ( 0.000 -0.011 0.000) 0.011 7.466 ( 0.000 0.011 -0.000) 0.011 8.018 ( 0.000 -2.227 0.000) 2.227 8.018 ( 0.000 2.227 0.000) 2.227 8.228 ( 0.000 -2.079 0.000) 2.079 8.228 ( 0.000 2.079 -0.000) 2.079 8.807 ( 0.000 -0.463 0.000) 0.463 8.807 ( 0.000 0.463 -0.000) 0.463 9.095 ( 0.000 -0.027 0.000) 0.027 9.095 ( 0.000 0.027 0.000) 0.027 9.495 ( 0.000 -1.955 0.000) 1.955 9.495 ( 0.000 1.955 0.000) 1.955 9.677 ( 0.000 -0.146 -0.000) 0.146 9.677 ( 0.000 0.146 -0.000) 0.146 10.380 ( 0.000 -1.114 0.000) 1.114 10.380 ( 0.000 1.114 0.000) 1.114 10.783 ( 0.000 -2.308 -0.000) 2.308 10.783 ( 0.000 2.308 -0.000) 2.308 ======================= Grid point 45 (16/87) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 11.746 0.000 8.310) 14.388 0.299 ( -2.714 0.000 13.204) 13.480 0.455 ( -8.078 0.000 16.844) 18.681 0.594 ( -0.305 0.000 0.476) 0.565 0.717 ( 9.772 0.000 1.206) 9.846 0.808 ( 2.226 0.000 -1.292) 2.573 0.847 ( -8.689 0.000 7.012) 11.165 0.948 ( -0.610 0.000 3.046) 3.107 1.028 ( -0.575 0.000 -2.309) 2.379 1.090 ( 0.939 0.000 -0.186) 0.957 1.122 ( -0.736 0.000 0.274) 0.785 1.173 ( 0.360 0.000 0.155) 0.392 1.230 ( -0.675 0.000 -0.825) 1.066 1.374 ( 3.927 0.000 2.006) 4.410 1.401 ( -1.296 0.000 -1.656) 2.103 1.470 ( -1.629 0.000 0.387) 1.674 1.508 ( 2.483 0.000 0.130) 2.487 1.622 ( -1.664 0.000 -0.360) 1.702 1.711 ( 1.891 0.000 4.425) 4.813 1.721 ( 1.415 0.000 -3.428) 3.708 1.823 ( -1.998 0.000 2.847) 3.478 1.894 ( -6.816 0.000 -0.099) 6.817 1.926 ( 1.727 0.000 0.587) 1.824 2.048 ( -1.041 0.000 5.139) 5.244 2.288 ( 2.377 0.000 -3.152) 3.947 2.420 ( -1.079 0.000 2.050) 2.317 2.445 ( -4.121 0.000 0.359) 4.137 2.715 ( 1.065 0.000 -3.935) 4.076 2.939 ( -1.662 0.000 1.650) 2.342 3.042 ( -4.434 0.000 -0.502) 4.462 3.050 ( -1.534 0.000 -1.392) 2.072 3.096 ( -0.317 0.000 0.169) 0.359 3.212 ( 0.928 0.000 -2.090) 2.287 3.317 ( 22.432 0.000 -0.855) 22.449 3.420 ( -0.532 0.000 -2.975) 3.022 3.521 ( -0.884 0.000 -2.918) 3.049 4.249 ( -2.179 0.000 -0.700) 2.289 4.325 ( 2.424 0.000 1.147) 2.682 4.463 ( -3.385 0.000 3.650) 4.978 4.491 ( -1.166 0.000 2.239) 2.524 4.744 ( -2.265 0.000 4.681) 5.200 5.016 ( 2.800 0.000 -3.053) 4.142 5.480 ( -0.902 0.000 -10.535) 10.573 5.755 ( 0.170 0.000 -2.863) 2.868 5.845 ( -1.696 0.000 0.665) 1.822 6.025 ( 0.043 0.000 -3.168) 3.169 6.125 ( -5.731 0.000 2.687) 6.330 6.181 ( -3.556 0.000 5.309) 6.390 6.457 ( 4.921 0.000 -4.735) 6.829 6.649 ( -2.835 0.000 -0.206) 2.842 6.707 ( 1.182 0.000 -0.103) 1.186 6.758 ( -2.459 0.000 2.182) 3.287 6.765 ( 3.963 0.000 1.036) 4.096 7.093 ( 1.835 0.000 1.173) 2.178 7.283 ( 12.407 0.000 -1.596) 12.509 7.341 ( -2.670 0.000 3.563) 4.452 7.896 ( 1.087 0.000 -0.427) 1.168 7.912 ( -0.357 0.000 1.326) 1.374 7.987 ( 3.642 0.000 0.108) 3.643 8.065 ( 1.596 0.000 -1.116) 1.947 8.756 ( 0.323 0.000 1.550) 1.584 9.006 ( 0.287 0.000 -1.868) 1.890 9.017 ( -0.168 0.000 -1.271) 1.282 9.121 ( -3.355 0.000 -2.375) 4.111 9.254 ( -29.073 0.000 4.147) 29.367 9.534 ( -7.355 0.000 -0.434) 7.368 9.589 ( 2.126 0.000 -0.447) 2.172 9.691 ( 3.512 0.000 -1.707) 3.905 10.484 ( 2.839 0.000 -0.643) 2.910 10.521 ( 4.547 0.000 0.949) 4.645 10.533 ( -1.764 0.000 -0.797) 1.936 10.603 ( -1.957 0.000 -0.319) 1.983 ======================= Grid point 46 (17/87) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 9.473 0.000 9.537) 13.442 0.446 ( 6.799 0.000 14.904) 16.381 0.693 ( 19.160 0.000 -0.227) 19.161 0.848 ( 11.977 0.000 5.365) 13.123 0.863 ( 15.504 0.000 -0.809) 15.525 0.911 ( 3.432 0.000 0.217) 3.439 0.986 ( 12.359 0.000 1.552) 12.456 1.017 ( 5.069 0.000 1.142) 5.196 1.037 ( 1.586 0.000 -2.429) 2.901 1.105 ( 4.570 0.000 -2.810) 5.365 1.140 ( 2.429 0.000 -1.398) 2.802 1.241 ( 2.166 0.000 -1.416) 2.588 1.248 ( 3.984 0.000 0.513) 4.017 1.400 ( 1.468 0.000 -1.894) 2.396 1.414 ( 4.182 0.000 1.443) 4.424 1.514 ( 2.442 0.000 4.385) 5.019 1.563 ( 3.578 0.000 1.244) 3.788 1.603 ( 2.015 0.000 0.903) 2.208 1.735 ( -0.055 0.000 -1.656) 1.657 1.738 ( 2.941 0.000 -0.478) 2.980 1.856 ( 4.274 0.000 1.422) 4.504 1.883 ( 3.584 0.000 0.679) 3.648 1.918 ( -2.401 0.000 -0.542) 2.462 2.044 ( 0.301 0.000 6.498) 6.504 2.326 ( 0.833 0.000 -2.197) 2.349 2.392 ( -1.834 0.000 3.238) 3.722 2.451 ( 1.682 0.000 -1.514) 2.263 2.732 ( 0.167 0.000 -2.586) 2.591 2.963 ( 3.938 0.000 -1.305) 4.149 3.021 ( 0.803 0.000 1.533) 1.730 3.097 ( 5.267 0.000 -2.969) 6.046 3.140 ( 4.824 0.000 0.527) 4.853 3.264 ( 3.528 0.000 -1.048) 3.680 3.446 ( 3.021 0.000 -3.413) 4.558 3.535 ( 0.729 0.000 -1.502) 1.670 3.549 ( 3.416 0.000 -3.809) 5.116 4.404 ( 4.161 0.000 3.454) 5.408 4.594 ( 24.543 0.000 -5.515) 25.155 4.701 ( 19.134 0.000 1.211) 19.173 4.759 ( 28.490 0.000 0.352) 28.493 4.801 ( 4.468 0.000 2.974) 5.368 5.205 ( 18.075 0.000 -1.170) 18.113 5.465 ( 1.394 0.000 -10.718) 10.808 5.728 ( -8.763 0.000 -0.665) 8.788 5.761 ( 1.072 0.000 0.947) 1.430 5.970 ( -1.908 0.000 -3.327) 3.835 6.009 ( -10.894 0.000 3.411) 11.416 6.122 ( 1.929 0.000 0.732) 2.063 6.573 ( -2.404 0.000 0.028) 2.404 6.587 ( 5.239 0.000 -5.138) 7.338 6.737 ( 2.480 0.000 8.125) 8.495 6.773 ( -0.999 0.000 5.451) 5.541 6.783 ( 3.870 0.000 -4.150) 5.675 7.091 ( -3.019 0.000 2.792) 4.112 7.273 ( -3.268 0.000 2.081) 3.874 7.309 ( -3.178 0.000 4.764) 5.727 7.916 ( 1.977 0.000 -0.385) 2.014 7.923 ( 1.335 0.000 0.632) 1.477 8.030 ( -0.912 0.000 2.407) 2.574 8.106 ( 2.135 0.000 0.204) 2.145 8.774 ( 1.176 0.000 1.983) 2.306 8.994 ( 6.687 0.000 -7.578) 10.106 8.998 ( -1.479 0.000 -1.413) 2.046 9.103 ( 1.752 0.000 -2.569) 3.109 9.149 ( 4.672 0.000 -0.213) 4.677 9.462 ( -0.494 0.000 -4.445) 4.472 9.600 ( -1.141 0.000 1.868) 2.189 9.730 ( -0.044 0.000 1.871) 1.871 10.502 ( -0.231 0.000 1.021) 1.047 10.529 ( 1.390 0.000 -2.441) 2.809 10.563 ( -0.737 0.000 2.334) 2.447 10.608 ( 2.491 0.000 -2.539) 3.557 ======================= Grid point 47 (18/87) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 8.010 0.000 12.034) 14.456 0.636 ( 12.196 0.000 4.237) 12.911 0.902 ( 2.733 0.000 -2.231) 3.528 0.944 ( 3.815 0.000 1.373) 4.055 1.034 ( 2.970 0.000 0.163) 2.975 1.035 ( 0.791 0.000 1.866) 2.027 1.085 ( 2.894 0.000 -1.575) 3.295 1.163 ( 2.232 0.000 -0.704) 2.340 1.204 ( 9.615 0.000 2.571) 9.952 1.248 ( 0.050 0.000 2.206) 2.206 1.253 ( 6.349 0.000 -0.840) 6.404 1.296 ( 8.254 0.000 -6.409) 10.449 1.304 ( 2.724 0.000 -1.414) 3.069 1.499 ( 7.601 0.000 -0.716) 7.634 1.543 ( 1.775 0.000 4.015) 4.390 1.586 ( 6.561 0.000 2.610) 7.061 1.667 ( 4.787 0.000 0.926) 4.875 1.738 ( 0.902 0.000 -1.968) 2.165 1.759 ( 12.960 0.000 1.362) 13.031 1.827 ( 4.220 0.000 -3.121) 5.248 1.853 ( -3.018 0.000 -1.544) 3.390 1.966 ( 6.045 0.000 1.670) 6.272 2.009 ( 9.078 0.000 -0.753) 9.109 2.061 ( 1.468 0.000 6.539) 6.702 2.310 ( -2.404 0.000 -0.396) 2.436 2.344 ( -2.465 0.000 4.516) 5.145 2.482 ( 1.601 0.000 -1.670) 2.314 2.746 ( 1.524 0.000 -2.959) 3.329 3.032 ( 0.449 0.000 0.728) 0.855 3.053 ( 3.797 0.000 -1.595) 4.118 3.220 ( 5.394 0.000 -3.806) 6.602 3.290 ( 8.516 0.000 0.651) 8.541 3.337 ( 2.943 0.000 0.577) 2.999 3.551 ( 7.058 0.000 -3.933) 8.080 3.571 ( 3.768 0.000 1.760) 4.159 3.649 ( 5.947 0.000 -4.053) 7.197 4.474 ( 1.405 0.000 5.781) 5.950 4.864 ( 3.759 0.000 -0.262) 3.768 4.967 ( 8.007 0.000 -2.577) 8.411 5.131 ( 15.498 0.000 0.911) 15.525 5.463 ( 15.438 0.000 -1.358) 15.498 5.503 ( 0.938 0.000 -11.156) 11.196 5.512 ( -0.254 0.000 0.322) 0.410 5.697 ( 17.048 0.000 -0.943) 17.074 5.768 ( -2.073 0.000 1.683) 2.670 5.845 ( 9.439 0.000 2.812) 9.849 6.041 ( 13.141 0.000 -3.330) 13.556 6.234 ( 8.616 0.000 -1.826) 8.807 6.549 ( -0.701 0.000 2.207) 2.316 6.665 ( 3.118 0.000 -4.461) 5.443 6.774 ( 1.537 0.000 8.099) 8.243 6.817 ( 2.934 0.000 6.674) 7.290 6.872 ( 4.668 0.000 -4.837) 6.722 7.006 ( -2.382 0.000 2.514) 3.463 7.234 ( 0.330 0.000 3.638) 3.653 7.298 ( 0.386 0.000 2.873) 2.899 7.955 ( 1.749 0.000 0.764) 1.908 7.979 ( 3.615 0.000 -0.816) 3.706 8.043 ( 1.996 0.000 0.706) 2.118 8.153 ( 2.376 0.000 0.692) 2.474 8.800 ( 1.039 0.000 2.541) 2.746 8.954 ( -2.717 0.000 -1.209) 2.974 9.065 ( 0.403 0.000 -2.922) 2.950 9.102 ( 0.597 0.000 0.186) 0.626 9.330 ( 8.816 0.000 -8.290) 12.101 9.498 ( 3.834 0.000 -7.339) 8.280 9.553 ( -2.982 0.000 2.692) 4.018 9.698 ( -2.769 0.000 3.625) 4.562 10.479 ( -1.967 0.000 2.428) 3.124 10.531 ( -1.956 0.000 3.816) 4.288 10.582 ( 3.391 0.000 -3.075) 4.578 10.688 ( 4.477 0.000 -3.380) 5.610 ======================= Grid point 48 (19/87) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 5.464 0.000 8.536) 10.135 0.860 ( 8.279 0.000 1.589) 8.430 0.896 ( -1.243 0.000 1.968) 2.327 0.988 ( 0.527 0.000 3.295) 3.337 1.053 ( -0.810 0.000 0.112) 0.818 1.106 ( 3.365 0.000 -0.866) 3.474 1.131 ( 1.232 0.000 -0.339) 1.278 1.214 ( -0.628 0.000 1.136) 1.298 1.214 ( 2.950 0.000 -0.904) 3.085 1.296 ( 0.247 0.000 -1.355) 1.378 1.298 ( 0.741 0.000 -0.566) 0.933 1.362 ( 1.669 0.000 -1.402) 2.180 1.425 ( 3.017 0.000 -1.516) 3.377 1.550 ( -0.380 0.000 3.248) 3.270 1.621 ( 3.041 0.000 0.196) 3.047 1.691 ( -1.629 0.000 0.458) 1.692 1.728 ( 5.524 0.000 -0.481) 5.545 1.789 ( 2.680 0.000 -4.964) 5.641 1.832 ( 1.630 0.000 0.503) 1.705 1.875 ( 0.634 0.000 -3.261) 3.322 2.031 ( 10.867 0.000 2.041) 11.058 2.075 ( 1.396 0.000 4.294) 4.515 2.114 ( 3.669 0.000 1.233) 3.871 2.217 ( 7.326 0.000 -0.765) 7.366 2.243 ( -2.854 0.000 3.230) 4.310 2.311 ( -0.539 0.000 4.755) 4.785 2.544 ( 4.882 0.000 -0.546) 4.913 2.783 ( 1.522 0.000 -2.925) 3.297 3.045 ( 0.730 0.000 -0.009) 0.730 3.119 ( 2.422 0.000 -1.286) 2.743 3.303 ( 2.629 0.000 -3.982) 4.772 3.383 ( 1.433 0.000 1.724) 2.242 3.465 ( 7.164 0.000 0.231) 7.168 3.685 ( 5.915 0.000 1.445) 6.088 3.708 ( 6.677 0.000 -3.554) 7.564 3.788 ( 6.779 0.000 -3.511) 7.634 4.457 ( -2.728 0.000 4.791) 5.513 4.972 ( 5.721 0.000 1.854) 6.013 4.975 ( -3.984 0.000 -0.291) 3.995 5.253 ( -1.727 0.000 0.974) 1.983 5.264 ( -8.717 0.000 -1.062) 8.782 5.449 ( -8.938 0.000 0.869) 8.980 5.513 ( 1.305 0.000 -11.058) 11.135 5.725 ( -1.433 0.000 -1.316) 1.946 6.186 ( 19.828 0.000 -0.624) 19.838 6.326 ( 20.495 0.000 -0.388) 20.498 6.332 ( 2.895 0.000 -4.251) 5.143 6.390 ( 10.368 0.000 3.633) 10.986 6.596 ( 5.317 0.000 4.211) 6.782 6.723 ( 1.866 0.000 -2.709) 3.289 6.797 ( -0.926 0.000 6.534) 6.599 6.823 ( -1.542 0.000 0.198) 1.554 6.980 ( 5.249 0.000 -1.203) 5.385 7.075 ( 7.538 0.000 -1.489) 7.684 7.291 ( 3.667 0.000 6.807) 7.732 7.311 ( 1.382 0.000 3.118) 3.411 8.001 ( 2.463 0.000 -0.109) 2.466 8.059 ( 3.600 0.000 -0.556) 3.642 8.091 ( 2.039 0.000 -0.318) 2.063 8.207 ( 2.548 0.000 0.178) 2.554 8.816 ( 0.383 0.000 2.912) 2.937 8.884 ( -3.687 0.000 -0.770) 3.767 9.045 ( -1.188 0.000 -3.727) 3.912 9.124 ( 0.618 0.000 1.950) 2.046 9.492 ( -2.565 0.000 1.507) 2.975 9.493 ( 7.162 0.000 -6.995) 10.011 9.598 ( 5.202 0.000 -5.402) 7.500 9.632 ( -3.256 0.000 3.237) 4.592 10.428 ( -2.749 0.000 2.871) 3.975 10.489 ( -2.026 0.000 3.942) 4.432 10.652 ( 2.977 0.000 -2.551) 3.920 10.772 ( 3.264 0.000 -2.802) 4.302 ======================= Grid point 49 (20/87) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.320 0.000 5.464) 5.473 0.879 ( 0.053 0.000 2.681) 2.681 0.974 ( 1.093 0.000 -0.335) 1.144 1.002 ( 0.393 0.000 5.771) 5.784 1.009 ( -1.654 0.000 1.606) 2.305 1.132 ( 0.370 0.000 -0.202) 0.422 1.145 ( 0.269 0.000 -0.736) 0.784 1.237 ( 1.945 0.000 -0.812) 2.108 1.262 ( 0.505 0.000 0.588) 0.775 1.277 ( -2.482 0.000 -0.109) 2.485 1.297 ( 0.425 0.000 -1.128) 1.206 1.376 ( -0.293 0.000 -2.998) 3.012 1.443 ( -0.817 0.000 -0.970) 1.268 1.545 ( 0.006 0.000 2.260) 2.260 1.628 ( -0.826 0.000 -1.369) 1.599 1.677 ( 0.013 0.000 0.762) 0.762 1.799 ( 0.742 0.000 -1.231) 1.437 1.839 ( -0.183 0.000 -0.795) 0.815 1.865 ( 2.507 0.000 -2.449) 3.505 1.882 ( 0.887 0.000 -2.050) 2.233 2.033 ( -3.265 0.000 1.268) 3.502 2.161 ( -0.089 0.000 2.497) 2.498 2.176 ( 1.785 0.000 0.796) 1.955 2.204 ( -2.001 0.000 5.037) 5.419 2.285 ( 0.811 0.000 -0.198) 0.835 2.314 ( -0.001 0.000 5.236) 5.236 2.638 ( 1.717 0.000 1.311) 2.161 2.798 ( 0.199 0.000 -3.057) 3.064 3.055 ( 0.065 0.000 -0.173) 0.185 3.152 ( 0.567 0.000 -1.030) 1.176 3.333 ( 0.405 0.000 -3.582) 3.605 3.398 ( -0.160 0.000 1.803) 1.810 3.553 ( 0.252 0.000 0.125) 0.281 3.755 ( -0.872 0.000 0.666) 1.097 3.790 ( 0.548 0.000 -3.098) 3.146 3.887 ( 1.508 0.000 -2.171) 2.644 4.394 ( -2.659 0.000 2.694) 3.785 4.924 ( 1.053 0.000 1.863) 2.140 5.053 ( 1.436 0.000 3.797) 4.060 5.183 ( 0.103 0.000 0.657) 0.665 5.211 ( 0.147 0.000 -0.500) 0.521 5.342 ( 1.424 0.000 -0.237) 1.443 5.534 ( 0.744 0.000 -9.864) 9.892 5.701 ( -0.839 0.000 -2.493) 2.630 6.325 ( -0.501 0.000 0.002) 0.501 6.405 ( 0.981 0.000 -2.543) 2.726 6.528 ( 1.154 0.000 3.055) 3.266 6.584 ( 2.965 0.000 1.502) 3.324 6.666 ( -0.206 0.000 1.652) 1.665 6.687 ( -4.079 0.000 0.019) 4.079 6.756 ( -2.857 0.000 4.990) 5.751 6.824 ( 1.396 0.000 -1.881) 2.342 7.063 ( 1.717 0.000 -0.939) 1.957 7.141 ( -2.651 0.000 -4.568) 5.281 7.331 ( -0.699 0.000 8.198) 8.227 7.367 ( 1.872 0.000 4.643) 5.006 8.032 ( -0.350 0.000 -0.876) 0.943 8.101 ( -0.331 0.000 -0.847) 0.909 8.126 ( 1.304 0.000 0.584) 1.429 8.238 ( -0.387 0.000 -0.454) 0.597 8.794 ( -2.759 0.000 -0.115) 2.762 8.851 ( 1.791 0.000 2.122) 2.777 9.025 ( -0.501 0.000 -3.899) 3.931 9.123 ( -0.585 0.000 1.093) 1.240 9.449 ( -1.520 0.000 -0.423) 1.578 9.572 ( -2.334 0.000 1.444) 2.744 9.632 ( 5.866 0.000 -4.009) 7.105 9.693 ( 3.533 0.000 -1.073) 3.692 10.369 ( -2.742 0.000 1.663) 3.207 10.454 ( -1.229 0.000 3.270) 3.493 10.696 ( 1.127 0.000 -1.509) 1.883 10.816 ( 0.907 0.000 -1.896) 2.102 ======================= Grid point 50 (21/87) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -4.959 0.000 7.101) 8.661 0.872 ( -7.667 0.000 2.438) 8.046 0.891 ( 0.710 0.000 2.127) 2.243 0.999 ( -0.835 0.000 2.885) 3.003 1.031 ( 0.544 0.000 -1.046) 1.179 1.119 ( -3.494 0.000 -0.434) 3.521 1.145 ( -0.159 0.000 -0.694) 0.712 1.215 ( -1.093 0.000 0.364) 1.152 1.226 ( -3.083 0.000 1.319) 3.353 1.280 ( 1.394 0.000 0.451) 1.465 1.318 ( 0.962 0.000 -0.828) 1.269 1.342 ( -2.758 0.000 -2.402) 3.657 1.405 ( -2.706 0.000 -2.118) 3.436 1.551 ( 0.453 0.000 2.694) 2.732 1.615 ( -2.371 0.000 -1.351) 2.729 1.662 ( -0.769 0.000 -0.489) 0.911 1.764 ( -3.684 0.000 -0.704) 3.751 1.789 ( -3.106 0.000 -0.855) 3.221 1.874 ( -2.249 0.000 -0.891) 2.419 1.894 ( -0.848 0.000 -1.361) 1.603 2.025 ( -11.957 0.000 3.820) 12.553 2.030 ( 2.685 0.000 -1.867) 3.270 2.138 ( -3.144 0.000 6.125) 6.885 2.160 ( -4.368 0.000 0.475) 4.394 2.258 ( -4.362 0.000 0.613) 4.405 2.334 ( 2.523 0.000 3.931) 4.671 2.610 ( -2.539 0.000 2.650) 3.670 2.791 ( -1.005 0.000 -2.944) 3.111 3.042 ( -1.283 0.000 0.170) 1.294 3.141 ( -1.428 0.000 -0.805) 1.639 3.319 ( -1.637 0.000 -3.333) 3.713 3.374 ( -2.164 0.000 1.199) 2.474 3.474 ( -6.844 0.000 0.535) 6.865 3.640 ( -8.901 0.000 -0.109) 8.902 3.729 ( -5.519 0.000 -2.570) 6.088 3.840 ( -5.192 0.000 -1.227) 5.335 4.362 ( -0.713 0.000 1.569) 1.723 5.025 ( 6.663 0.000 2.913) 7.271 5.042 ( -2.436 0.000 3.369) 4.157 5.266 ( 2.877 0.000 -0.145) 2.881 5.271 ( 9.116 0.000 0.161) 9.117 5.490 ( 9.651 0.000 1.884) 9.833 5.529 ( -1.171 0.000 -10.241) 10.308 5.690 ( -0.026 0.000 -3.021) 3.021 6.212 ( -19.204 0.000 -0.291) 19.206 6.296 ( -5.271 0.000 -0.829) 5.336 6.399 ( -18.497 0.000 2.859) 18.716 6.433 ( -8.744 0.000 0.589) 8.764 6.578 ( -7.187 0.000 0.487) 7.204 6.644 ( -2.300 0.000 -0.512) 2.356 6.712 ( -1.011 0.000 6.006) 6.091 6.830 ( -1.267 0.000 -3.064) 3.316 7.008 ( -7.245 0.000 -3.641) 8.109 7.028 ( -4.380 0.000 0.111) 4.381 7.314 ( 0.189 0.000 8.125) 8.127 7.347 ( -3.083 0.000 3.201) 4.445 7.983 ( -3.470 0.000 -0.998) 3.610 8.059 ( -3.087 0.000 0.044) 3.087 8.130 ( -0.907 0.000 0.926) 1.296 8.181 ( -4.389 0.000 -1.127) 4.531 8.763 ( -0.180 0.000 -0.027) 0.182 8.909 ( 3.016 0.000 1.256) 3.267 9.014 ( -0.688 0.000 -3.243) 3.315 9.113 ( -0.141 0.000 -0.033) 0.145 9.432 ( 0.115 0.000 -2.104) 2.107 9.540 ( -0.629 0.000 -1.064) 1.236 9.717 ( 1.637 0.000 -0.216) 1.651 9.745 ( 1.612 0.000 3.328) 3.697 10.326 ( -0.919 0.000 -0.721) 1.168 10.443 ( 0.022 0.000 1.383) 1.383 10.697 ( -0.969 0.000 -0.372) 1.038 10.809 ( -1.494 0.000 -0.955) 1.773 ======================= Grid point 51 (22/87) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -8.056 0.000 9.445) 12.414 0.672 ( -10.896 0.000 5.881) 12.382 0.892 ( -3.559 0.000 -0.356) 3.577 0.930 ( -4.535 0.000 1.163) 4.682 1.009 ( -2.837 0.000 -1.966) 3.452 1.039 ( -1.662 0.000 1.173) 2.035 1.128 ( -2.650 0.000 0.062) 2.651 1.153 ( -3.444 0.000 -0.576) 3.492 1.217 ( -0.256 0.000 -0.828) 0.867 1.244 ( -6.911 0.000 -1.055) 6.991 1.279 ( -2.078 0.000 2.875) 3.547 1.297 ( -9.252 0.000 -3.643) 9.943 1.326 ( -0.921 0.000 -0.411) 1.009 1.494 ( -6.401 0.000 -0.483) 6.420 1.560 ( -1.316 0.000 2.793) 3.088 1.613 ( -11.299 0.000 5.955) 12.772 1.620 ( -5.331 0.000 -1.235) 5.472 1.731 ( -2.207 0.000 -1.124) 2.477 1.742 ( -10.013 0.000 2.004) 10.211 1.812 ( -6.684 0.000 -1.445) 6.839 1.836 ( 0.266 0.000 -2.549) 2.563 2.027 ( -6.832 0.000 2.393) 7.239 2.045 ( 0.003 0.000 4.383) 4.383 2.124 ( -6.595 0.000 2.341) 6.998 2.163 ( 3.833 0.000 -1.801) 4.235 2.398 ( 2.708 0.000 2.522) 3.701 2.584 ( -0.204 0.000 1.340) 1.355 2.756 ( -1.916 0.000 -2.942) 3.511 3.006 ( -1.858 0.000 1.229) 2.228 3.095 ( -2.925 0.000 -0.493) 2.966 3.257 ( -4.182 0.000 -2.339) 4.792 3.304 ( -8.473 0.000 1.231) 8.562 3.311 ( -3.684 0.000 -0.525) 3.721 3.435 ( -9.583 0.000 -1.754) 9.742 3.592 ( -6.558 0.000 -2.135) 6.897 3.708 ( -6.442 0.000 -1.174) 6.548 4.347 ( -0.941 0.000 1.806) 2.037 4.997 ( -1.520 0.000 2.101) 2.593 5.070 ( -7.020 0.000 3.800) 7.982 5.157 ( -17.391 0.000 0.807) 17.410 5.434 ( -4.965 0.000 -0.294) 4.974 5.484 ( -1.396 0.000 -10.715) 10.805 5.621 ( -21.495 0.000 6.307) 22.401 5.643 ( -9.795 0.000 -3.010) 10.247 5.705 ( 1.723 0.000 -3.652) 4.038 5.982 ( -7.956 0.000 5.017) 9.406 6.037 ( -12.151 0.000 -3.002) 12.516 6.268 ( -4.600 0.000 -5.841) 7.435 6.512 ( 1.294 0.000 4.271) 4.463 6.570 ( -4.381 0.000 -0.719) 4.440 6.702 ( -0.466 0.000 7.246) 7.261 6.775 ( -3.224 0.000 -4.770) 5.757 6.921 ( -0.624 0.000 -2.124) 2.213 6.934 ( -4.258 0.000 2.959) 5.185 7.275 ( -3.509 0.000 0.965) 3.639 7.343 ( 1.626 0.000 7.161) 7.344 7.916 ( -2.392 0.000 -1.162) 2.659 7.988 ( -3.315 0.000 0.874) 3.428 8.090 ( -2.847 0.000 1.493) 3.214 8.091 ( -3.352 0.000 -2.127) 3.970 8.764 ( -0.052 0.000 0.594) 0.596 8.967 ( 2.340 0.000 0.099) 2.342 8.991 ( -1.107 0.000 -2.461) 2.699 9.119 ( 0.657 0.000 -0.891) 1.107 9.458 ( 2.437 0.000 -2.591) 3.557 9.549 ( 1.643 0.000 -3.563) 3.924 9.697 ( -3.366 0.000 2.241) 4.044 9.765 ( 0.298 0.000 5.671) 5.679 10.339 ( 1.970 0.000 -2.669) 3.317 10.453 ( 0.820 0.000 -0.383) 0.905 10.658 ( -2.667 0.000 0.536) 2.720 10.755 ( -3.429 0.000 -0.027) 3.429 ======================= Grid point 52 (23/87) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -14.271 0.000 6.718) 15.773 0.448 ( -9.747 0.000 10.958) 14.666 0.695 ( -9.737 0.000 0.492) 9.750 0.850 ( -18.314 0.000 7.678) 19.859 0.892 ( -19.424 0.000 -0.884) 19.444 0.896 ( -7.337 0.000 -2.134) 7.641 0.934 ( -3.364 0.000 2.201) 4.020 1.059 ( -2.966 0.000 0.084) 2.967 1.066 ( -2.973 0.000 -1.414) 3.292 1.135 ( -8.283 0.000 5.985) 10.219 1.154 ( -1.865 0.000 -0.203) 1.876 1.239 ( -3.063 0.000 -0.848) 3.178 1.269 ( -3.033 0.000 0.150) 3.036 1.356 ( -5.975 0.000 0.595) 6.005 1.441 ( -0.265 0.000 0.658) 0.710 1.488 ( -3.921 0.000 -2.321) 4.556 1.542 ( -3.440 0.000 3.800) 5.126 1.660 ( 0.513 0.000 6.099) 6.120 1.675 ( -4.279 0.000 -2.207) 4.815 1.705 ( -0.111 0.000 -2.732) 2.735 1.875 ( 2.546 0.000 -0.882) 2.694 1.904 ( -4.876 0.000 2.716) 5.581 2.011 ( -4.428 0.000 0.104) 4.429 2.057 ( 0.310 0.000 4.430) 4.441 2.236 ( 2.865 0.000 -2.948) 4.111 2.432 ( 0.255 0.000 2.056) 2.071 2.565 ( -2.939 0.000 -2.444) 3.822 2.721 ( -1.081 0.000 -3.821) 3.971 2.997 ( 2.476 0.000 4.459) 5.100 3.012 ( -4.601 0.000 0.937) 4.696 3.144 ( -5.952 0.000 -1.047) 6.043 3.159 ( -4.397 0.000 1.570) 4.669 3.235 ( -2.820 0.000 -2.031) 3.475 3.239 ( -9.023 0.000 -2.599) 9.390 3.473 ( -4.280 0.000 -2.233) 4.828 3.586 ( -4.759 0.000 -1.974) 5.152 4.324 ( -1.112 0.000 1.937) 2.233 4.619 ( -26.956 0.000 -2.172) 27.043 4.732 ( -19.013 0.000 2.793) 19.217 4.847 ( -30.704 0.000 3.484) 30.901 4.968 ( -7.081 0.000 8.368) 10.962 5.033 ( -15.625 0.000 -7.328) 17.258 5.479 ( 0.593 0.000 -9.732) 9.750 5.741 ( 1.216 0.000 -3.902) 4.087 5.787 ( 6.824 0.000 0.977) 6.894 5.955 ( 2.900 0.000 -3.849) 4.819 6.092 ( 9.012 0.000 5.259) 10.434 6.243 ( -1.327 0.000 -5.559) 5.715 6.472 ( -4.317 0.000 -2.158) 4.826 6.589 ( 6.232 0.000 7.160) 9.493 6.693 ( -0.465 0.000 5.020) 5.042 6.714 ( -1.846 0.000 -3.719) 4.152 6.841 ( -4.686 0.000 3.749) 6.001 6.970 ( 5.227 0.000 0.142) 5.229 7.204 ( -2.794 0.000 0.593) 2.856 7.367 ( 0.066 0.000 5.822) 5.823 7.887 ( -0.362 0.000 -1.271) 1.321 7.928 ( -2.196 0.000 1.338) 2.572 8.019 ( -3.533 0.000 1.737) 3.937 8.050 ( -0.420 0.000 -2.246) 2.285 8.758 ( -0.404 0.000 1.167) 1.235 8.982 ( 0.543 0.000 -2.287) 2.351 9.006 ( 1.226 0.000 -0.798) 1.463 9.132 ( 0.386 0.000 -1.447) 1.497 9.524 ( 3.555 0.000 -1.829) 3.997 9.590 ( -6.571 0.000 1.373) 6.713 9.607 ( 3.886 0.000 -4.344) 5.829 9.750 ( -3.849 0.000 -0.005) 3.849 10.391 ( 3.057 0.000 -1.265) 3.308 10.474 ( 1.228 0.000 -0.586) 1.361 10.592 ( -3.317 0.000 0.571) 3.366 10.673 ( -4.060 0.000 0.505) 4.091 ======================= Grid point 53 (24/87) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 1.726 6.767 1.487) 7.140 0.290 ( 4.123 8.289 1.833) 9.438 0.565 ( 5.111 -2.172 0.765) 5.606 0.617 ( -4.320 4.283 4.351) 7.479 0.674 ( -1.505 -1.833 0.624) 2.453 0.826 ( -0.849 -3.746 -4.246) 5.725 0.919 ( -1.011 5.963 5.931) 8.471 0.932 ( 0.007 -2.668 2.236) 3.482 0.997 ( -1.698 2.204 2.336) 3.633 1.056 ( -0.174 2.136 3.521) 4.122 1.132 ( -0.506 -2.567 -0.420) 2.650 1.205 ( -0.436 5.112 2.022) 5.515 1.255 ( -0.075 2.042 -0.259) 2.060 1.350 ( 0.661 -1.159 1.339) 1.890 1.402 ( -0.801 0.559 -0.616) 1.154 1.487 ( -1.783 1.306 1.767) 2.830 1.496 ( 0.685 -1.736 1.496) 2.392 1.613 ( -0.909 1.536 1.366) 2.248 1.676 ( 1.059 -1.489 1.075) 2.120 1.739 ( -0.190 0.113 -1.109) 1.131 1.861 ( -0.999 -1.298 3.774) 4.114 1.892 ( 0.690 -2.025 0.424) 2.181 1.989 ( -0.931 -2.463 2.271) 3.477 2.030 ( 0.408 3.635 -5.257) 6.405 2.313 ( 2.272 2.043 -2.707) 4.082 2.399 ( -0.834 -1.632 0.667) 1.950 2.510 ( -2.421 5.024 0.156) 5.580 2.689 ( 0.297 -2.595 -3.158) 4.098 2.896 ( -1.526 -2.330 3.084) 4.156 2.974 ( 0.386 -5.070 2.963) 5.885 3.057 ( -0.761 -0.032 -1.132) 1.364 3.091 ( 0.087 -1.361 -0.058) 1.365 3.194 ( 3.555 -2.084 1.921) 4.546 3.206 ( 0.499 -0.524 -2.134) 2.253 3.466 ( 0.451 3.076 -2.359) 3.902 3.533 ( -0.293 0.345 -2.568) 2.608 4.261 ( -0.194 1.632 -0.633) 1.761 4.375 ( -1.386 -3.765 1.520) 4.290 4.587 ( -1.115 5.635 0.808) 5.801 4.674 ( -3.524 6.602 -4.603) 8.786 4.840 ( 4.922 13.697 -6.314) 15.865 5.047 ( 0.526 3.493 -2.130) 4.125 5.365 ( 0.067 -8.610 -8.506) 12.104 5.570 ( -2.119 -13.095 -1.120) 13.313 5.954 ( -1.240 4.995 -0.203) 5.151 6.024 ( -2.806 0.024 0.350) 2.828 6.058 ( 1.861 1.125 -2.381) 3.225 6.254 ( 1.456 0.258 2.640) 3.025 6.510 ( 0.349 2.702 -1.630) 3.175 6.598 ( -2.779 -3.067 0.523) 4.172 6.720 ( 0.660 1.202 -1.007) 1.701 6.756 ( 0.850 -0.529 1.379) 1.704 6.796 ( -0.090 4.907 5.322) 7.240 7.057 ( 1.996 -3.514 1.982) 4.501 7.208 ( 3.346 -1.002 4.281) 5.525 7.333 ( -0.196 -3.910 2.677) 4.742 7.891 ( 1.001 1.424 -0.382) 1.783 7.945 ( -0.002 1.216 -0.076) 1.218 7.964 ( -0.273 -0.596 0.999) 1.194 8.045 ( 1.060 -1.820 -1.380) 2.518 8.885 ( 6.876 6.007 -5.192) 10.503 9.009 ( 3.729 -0.674 -1.720) 4.162 9.025 ( -1.003 1.145 -1.968) 2.488 9.100 ( -3.391 -1.785 -2.046) 4.344 9.302 ( -17.372 4.148 1.159) 17.898 9.482 ( -5.032 -3.769 0.354) 6.297 9.615 ( 0.854 1.535 -0.683) 1.885 9.684 ( 2.356 -1.106 -1.091) 2.822 10.475 ( 3.174 -0.172 0.573) 3.229 10.501 ( 2.217 -0.963 0.944) 2.595 10.548 ( -1.777 1.180 -0.462) 2.183 10.598 ( -1.991 -0.756 -0.640) 2.224 ======================= Grid point 54 (25/87) ======================= q-point: ( 0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 7.377 6.745 1.107) 10.056 0.609 ( 9.563 5.002 6.308) 12.500 0.697 ( 13.144 0.800 0.421) 13.175 0.826 ( 7.728 -2.580 -1.720) 8.327 0.885 ( 12.152 -0.163 0.131) 12.154 0.916 ( 2.916 -0.205 1.019) 3.096 0.925 ( 13.156 -2.233 -0.803) 13.369 0.978 ( 5.109 -1.842 2.950) 6.180 1.088 ( 5.770 4.447 2.246) 7.623 1.106 ( 9.093 1.925 0.531) 9.310 1.160 ( 1.834 0.026 -1.116) 2.147 1.235 ( 2.770 2.192 1.448) 3.818 1.282 ( 2.637 1.462 -0.911) 3.150 1.381 ( 2.801 -1.648 -0.438) 3.279 1.434 ( 4.428 2.018 2.571) 5.504 1.480 ( 1.524 -0.157 1.447) 2.107 1.553 ( 4.562 -1.596 1.321) 5.010 1.618 ( 1.639 0.400 0.872) 1.899 1.693 ( 1.173 -2.452 -2.231) 3.517 1.765 ( 2.711 -0.098 1.189) 2.962 1.881 ( 2.519 -0.108 2.547) 3.584 1.898 ( 0.740 0.261 0.164) 0.802 1.955 ( -1.979 2.000 -0.016) 2.814 2.023 ( -0.166 -0.150 2.345) 2.355 2.345 ( 0.367 1.369 -1.918) 2.385 2.386 ( -0.997 -0.522 2.159) 2.435 2.504 ( 0.797 4.548 -1.372) 4.817 2.696 ( 0.177 -3.365 -2.508) 4.201 2.914 ( 3.144 -2.607 0.125) 4.086 2.979 ( 0.806 -3.369 1.714) 3.865 3.130 ( 6.233 0.399 -0.079) 6.247 3.160 ( 5.848 2.064 -1.941) 6.498 3.253 ( 3.650 -1.410 0.216) 3.919 3.322 ( 6.394 -7.365 -0.425) 9.763 3.502 ( 2.785 2.367 -2.663) 4.522 3.573 ( 3.602 0.022 -2.431) 4.346 4.564 ( 23.015 2.414 -0.509) 23.147 4.634 ( 18.334 -0.262 -0.092) 18.336 4.699 ( 6.009 8.975 -6.188) 12.448 4.819 ( 20.275 3.301 0.551) 20.549 4.869 ( 3.613 7.480 2.675) 8.727 5.198 ( 15.457 -1.372 -1.892) 15.633 5.392 ( 4.221 -5.334 -9.063) 11.332 5.519 ( -2.714 -12.852 -0.403) 13.142 5.877 ( -6.108 4.243 -0.945) 7.497 5.930 ( -4.614 -1.416 -1.176) 4.967 6.053 ( -3.036 3.477 -0.786) 4.682 6.179 ( -3.817 2.262 2.509) 5.097 6.552 ( -0.675 -1.054 0.043) 1.253 6.572 ( 3.331 -1.214 -2.991) 4.639 6.770 ( 2.736 1.021 2.192) 3.652 6.778 ( 2.668 -0.010 -1.527) 3.074 6.803 ( 0.354 4.432 6.309) 7.718 7.051 ( -3.218 -4.111 4.342) 6.790 7.274 ( 1.619 -1.426 4.366) 4.870 7.277 ( -2.391 -0.288 2.657) 3.586 7.918 ( 1.532 0.918 0.468) 1.846 7.956 ( 1.870 2.448 -1.401) 3.384 7.986 ( 0.925 -2.348 1.832) 3.118 8.087 ( 2.342 -2.332 -0.610) 3.361 8.903 ( -6.403 5.787 2.362) 8.948 8.988 ( -2.191 0.569 -1.385) 2.654 9.061 ( 4.102 2.728 -3.248) 5.900 9.132 ( 8.200 3.945 -9.743) 13.331 9.140 ( -0.546 0.677 1.090) 1.394 9.415 ( -0.491 -4.415 -5.032) 6.712 9.616 ( -1.201 1.539 1.988) 2.786 9.709 ( -0.402 -2.004 2.107) 2.936 10.502 ( -0.225 0.078 1.377) 1.398 10.526 ( 0.045 -0.858 1.303) 1.560 10.557 ( 1.881 0.619 -0.946) 2.194 10.602 ( 2.413 -0.692 -2.614) 3.624 ======================= Grid point 55 (26/87) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 8.177 1.375 1.543) 8.434 0.778 ( 5.407 0.568 3.173) 6.295 0.837 ( 3.510 -0.096 1.473) 3.808 0.940 ( 1.822 -1.026 1.217) 2.420 0.968 ( 5.651 -1.837 -0.869) 6.005 1.051 ( 3.582 -2.414 0.949) 4.422 1.093 ( 2.662 1.618 1.882) 3.639 1.151 ( 6.432 -2.182 0.579) 6.817 1.199 ( 4.182 0.509 -1.450) 4.455 1.244 ( 4.797 -0.131 -0.129) 4.800 1.263 ( 0.125 1.634 1.808) 2.440 1.313 ( 1.556 0.207 -1.124) 1.931 1.370 ( 8.871 5.881 -2.986) 11.054 1.505 ( 7.741 0.498 -0.703) 7.789 1.529 ( 2.230 -1.419 4.826) 5.503 1.573 ( 6.539 0.331 0.626) 6.577 1.665 ( 4.541 -1.094 1.517) 4.911 1.683 ( 3.173 -4.787 -3.618) 6.788 1.803 ( 10.706 3.661 1.040) 11.362 1.840 ( 2.855 1.684 -0.052) 3.316 1.897 ( 0.003 2.603 -1.575) 3.042 1.967 ( 4.518 0.062 1.476) 4.753 1.997 ( 8.823 -1.087 0.939) 8.939 2.044 ( 2.325 -1.616 4.379) 5.215 2.324 ( -2.444 1.009 -0.100) 2.646 2.345 ( -2.556 0.074 3.948) 4.704 2.526 ( 1.482 3.978 -1.718) 4.579 2.710 ( 1.528 -3.365 -2.703) 4.578 2.985 ( 2.269 -3.430 -0.021) 4.112 3.006 ( 2.393 -2.939 -0.510) 3.824 3.284 ( 5.786 2.642 -1.142) 6.462 3.298 ( 8.140 2.512 -1.443) 8.640 3.340 ( 4.148 -0.254 0.860) 4.244 3.461 ( 7.163 -5.533 -0.699) 9.078 3.592 ( 5.976 2.271 -3.435) 7.257 3.672 ( 5.859 0.093 -2.662) 6.436 4.626 ( -2.887 12.722 4.541) 13.813 4.885 ( 2.509 1.260 -0.053) 2.808 4.980 ( 8.818 1.653 -2.610) 9.343 5.144 ( 15.831 1.588 0.464) 15.917 5.321 ( 9.872 -9.667 -5.509) 14.875 5.391 ( -3.654 -9.381 -1.598) 10.194 5.641 ( 15.358 -0.024 -1.724) 15.455 5.652 ( 19.777 4.549 -0.403) 20.297 5.708 ( -6.042 -0.655 -0.053) 6.078 5.961 ( 13.649 -1.726 -0.535) 13.768 6.023 ( 6.062 4.812 -2.748) 8.213 6.223 ( 7.626 -1.451 -1.162) 7.850 6.552 ( -0.006 0.341 1.124) 1.174 6.621 ( 2.066 -3.099 -2.537) 4.507 6.785 ( -1.057 1.644 9.630) 9.827 6.846 ( 3.200 1.756 3.043) 4.752 6.865 ( 3.683 -0.529 -3.641) 5.206 6.965 ( -1.741 -3.960 4.327) 6.118 7.258 ( 1.699 3.169 3.475) 5.001 7.335 ( 2.817 1.775 1.594) 3.691 7.950 ( 1.504 0.275 1.091) 1.879 8.010 ( 2.384 0.392 0.883) 2.572 8.024 ( 3.258 0.324 -1.885) 3.778 8.138 ( 2.599 -1.801 -0.228) 3.170 8.839 ( -1.128 3.018 2.136) 3.866 8.934 ( -2.769 -1.260 -0.483) 3.080 9.104 ( -0.376 0.889 -0.946) 1.351 9.116 ( 0.289 2.853 0.964) 3.026 9.331 ( 8.494 0.528 -9.514) 12.765 9.458 ( 4.287 -3.521 -7.686) 9.479 9.572 ( -2.624 1.727 2.564) 4.056 9.673 ( -2.683 -2.246 3.577) 5.004 10.481 ( -1.801 0.220 2.584) 3.158 10.510 ( -1.441 -1.289 3.311) 3.834 10.612 ( 3.247 2.104 -2.721) 4.730 10.679 ( 4.301 -0.881 -3.293) 5.487 ======================= Grid point 56 (27/87) ======================= q-point: ( 0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 5.915 -2.306 1.798) 6.598 0.824 ( 0.439 -4.956 -1.452) 5.183 0.914 ( 2.097 0.911 2.941) 3.725 0.969 ( 1.765 -1.794 2.347) 3.441 1.069 ( 1.957 -1.504 1.512) 2.895 1.103 ( 0.045 -1.057 3.009) 3.190 1.113 ( 2.513 3.248 -0.989) 4.224 1.227 ( 1.945 0.262 -0.618) 2.057 1.238 ( -0.618 2.189 2.290) 3.228 1.288 ( 1.387 -0.243 -1.012) 1.734 1.298 ( 1.684 -0.166 -0.721) 1.840 1.344 ( 1.363 -1.646 0.271) 2.154 1.467 ( 1.905 3.022 -1.717) 3.964 1.542 ( -0.298 -0.719 2.192) 2.326 1.618 ( 2.452 0.063 -0.104) 2.455 1.677 ( -1.088 -1.562 0.032) 1.904 1.719 ( 6.163 0.050 -1.156) 6.271 1.777 ( 4.192 -1.147 -3.355) 5.490 1.858 ( 0.561 2.367 0.171) 2.439 1.902 ( 0.610 1.516 -2.170) 2.717 2.055 ( 8.331 1.579 2.189) 8.757 2.075 ( 2.914 0.065 3.008) 4.189 2.125 ( 5.409 0.981 1.126) 5.611 2.207 ( 7.872 -1.037 0.370) 7.949 2.253 ( -3.252 1.200 3.173) 4.699 2.307 ( -0.872 -0.402 4.043) 4.155 2.581 ( 3.935 3.406 -0.686) 5.249 2.750 ( 1.788 -3.133 -2.438) 4.353 3.015 ( 1.166 -1.961 0.181) 2.289 3.066 ( 2.531 -3.909 -1.482) 4.887 3.360 ( 2.173 3.942 -3.242) 5.547 3.406 ( 1.948 1.580 0.562) 2.570 3.479 ( 7.645 1.545 -0.044) 7.800 3.622 ( 7.278 -4.434 -0.253) 8.526 3.732 ( 6.296 2.050 -3.342) 7.417 3.807 ( 6.230 0.203 -2.464) 6.703 4.554 ( -3.918 9.053 5.063) 11.087 4.923 ( 0.319 -4.371 2.721) 5.159 5.019 ( -2.009 3.371 0.475) 3.953 5.222 ( -6.355 -3.953 -1.542) 7.641 5.259 ( -1.703 0.626 -0.826) 1.994 5.378 ( -1.927 -4.988 -5.527) 7.690 5.568 ( -2.732 3.586 -3.194) 5.525 5.697 ( -1.489 -2.454 -0.335) 2.890 6.203 ( 18.744 2.043 -0.808) 18.872 6.321 ( 15.418 -1.339 -2.733) 15.716 6.332 ( 7.387 0.409 -3.762) 8.299 6.385 ( 10.639 -0.764 1.259) 10.740 6.596 ( 4.523 0.184 3.626) 5.801 6.677 ( 3.069 -3.515 -0.151) 4.668 6.763 ( -1.473 -1.455 6.133) 6.473 6.815 ( -2.840 -1.650 3.858) 5.067 6.981 ( 5.449 0.497 -0.172) 5.474 7.038 ( 5.639 -2.603 -0.944) 6.282 7.340 ( 5.316 5.180 4.012) 8.437 7.396 ( 2.693 4.314 1.883) 5.423 7.987 ( 1.896 -0.391 0.469) 1.992 8.060 ( 2.153 -2.431 0.719) 3.326 8.099 ( 3.500 2.751 -2.095) 4.920 8.198 ( 2.866 -1.137 -0.747) 3.172 8.824 ( -0.502 0.732 2.148) 2.325 8.870 ( -3.260 -0.929 -0.339) 3.406 9.077 ( -1.345 2.238 -2.048) 3.319 9.126 ( -0.086 0.111 1.875) 1.881 9.471 ( 3.200 -0.164 -4.287) 5.352 9.532 ( 1.647 2.118 -0.807) 2.802 9.563 ( 3.606 -2.959 -4.524) 6.498 9.620 ( -1.259 -1.382 1.648) 2.492 10.434 ( -2.570 0.556 2.994) 3.985 10.474 ( -1.962 -1.212 3.669) 4.333 10.679 ( 2.854 2.219 -2.442) 4.363 10.760 ( 3.161 -1.172 -2.717) 4.330 ======================= Grid point 57 (28/87) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 1.600 -2.787 1.374) 3.495 0.828 ( 0.526 -3.469 -1.482) 3.809 0.926 ( -0.300 -1.260 3.419) 3.656 1.002 ( -0.047 -0.553 2.509) 2.570 1.042 ( -2.096 -1.967 0.683) 2.954 1.107 ( -0.430 -3.531 0.761) 3.637 1.160 ( 0.798 4.932 1.303) 5.163 1.234 ( 1.717 0.633 1.158) 2.166 1.258 ( -0.274 -0.252 0.742) 0.830 1.289 ( -1.122 0.108 0.599) 1.277 1.309 ( -0.182 0.744 -0.806) 1.112 1.361 ( -0.110 -1.125 -1.267) 1.698 1.478 ( -0.580 2.355 -1.793) 3.016 1.535 ( -0.263 -0.826 1.148) 1.438 1.631 ( -0.273 0.363 -0.835) 0.951 1.665 ( -0.337 -0.891 0.693) 1.178 1.818 ( 2.694 0.896 -1.222) 3.091 1.839 ( 0.658 1.084 -1.434) 1.914 1.864 ( 0.945 0.042 -1.077) 1.434 1.900 ( -0.637 0.791 -1.802) 2.068 2.069 ( -1.600 2.582 0.528) 3.083 2.141 ( 0.274 -1.294 1.364) 1.900 2.206 ( -1.941 0.647 3.672) 4.204 2.209 ( 0.865 2.343 2.857) 3.795 2.293 ( 0.722 0.337 0.972) 1.257 2.304 ( -0.292 -0.877 4.337) 4.435 2.653 ( 1.353 1.667 0.856) 2.311 2.770 ( 0.311 -2.564 -2.351) 3.493 3.032 ( 0.243 -1.372 0.087) 1.396 3.101 ( 0.766 -3.931 -1.140) 4.164 3.381 ( -0.002 3.564 -3.178) 4.775 3.425 ( -0.253 1.792 0.214) 1.822 3.575 ( 0.460 2.161 -0.132) 2.213 3.713 ( -0.014 -3.402 -0.155) 3.405 3.811 ( 0.472 1.898 -2.981) 3.565 3.889 ( 0.657 -0.558 -2.095) 2.265 4.485 ( -2.053 8.763 3.709) 9.734 4.926 ( 1.460 -6.740 3.524) 7.745 4.975 ( -0.165 1.118 2.906) 3.119 5.148 ( 0.238 -2.846 0.560) 2.911 5.270 ( 1.617 3.044 -2.406) 4.203 5.337 ( 1.015 -0.633 -1.993) 2.324 5.548 ( 0.336 1.657 -6.167) 6.395 5.668 ( -0.904 -2.914 -1.983) 3.639 6.339 ( -0.193 2.028 0.684) 2.149 6.422 ( 2.211 1.376 -3.430) 4.307 6.520 ( 1.552 -1.207 1.010) 2.211 6.559 ( 3.370 -4.765 -1.858) 6.125 6.643 ( -2.714 0.770 3.246) 4.300 6.678 ( -2.235 -0.314 3.642) 4.284 6.732 ( -2.405 -2.064 3.212) 4.513 6.787 ( -0.226 -2.972 2.147) 3.673 7.053 ( 0.657 -0.241 -0.666) 0.966 7.099 ( -0.902 -2.337 -1.383) 2.861 7.416 ( -1.629 5.423 3.106) 6.459 7.434 ( 1.864 4.852 3.465) 6.247 8.010 ( -0.383 -0.991 -0.197) 1.081 8.081 ( -0.654 -2.780 -0.147) 2.859 8.154 ( 1.290 2.842 -0.933) 3.258 8.235 ( 0.002 -0.541 -1.111) 1.236 8.803 ( -2.214 0.729 0.170) 2.337 8.831 ( 1.112 -1.278 1.222) 2.088 9.056 ( -0.471 2.207 -2.143) 3.113 9.115 ( -0.735 -0.746 0.850) 1.349 9.458 ( -1.390 1.072 -0.483) 1.821 9.548 ( -1.975 -2.220 0.912) 3.108 9.636 ( 5.345 0.545 -3.242) 6.274 9.681 ( 3.700 -1.085 -1.222) 4.045 10.379 ( -2.502 0.952 1.895) 3.280 10.437 ( -1.425 -1.450 2.995) 3.619 10.721 ( 1.042 2.106 -1.509) 2.793 10.803 ( 0.910 -1.259 -1.818) 2.391 ======================= Grid point 58 (29/87) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -4.685 -0.311 1.456) 4.916 0.845 ( 0.196 -2.753 -1.168) 2.996 0.915 ( -1.605 -1.960 2.435) 3.514 0.938 ( -3.556 2.337 3.300) 5.385 1.028 ( -0.795 -5.505 0.877) 5.631 1.072 ( -3.315 -3.759 0.494) 5.036 1.160 ( -0.739 4.149 0.795) 4.288 1.224 ( -2.847 1.031 0.166) 3.032 1.251 ( -1.076 0.910 0.527) 1.504 1.283 ( 2.090 0.079 1.854) 2.795 1.303 ( -1.030 -1.122 -0.265) 1.546 1.335 ( -1.803 -0.553 -0.805) 2.051 1.447 ( -2.306 2.840 -2.386) 4.368 1.530 ( -0.470 -1.688 1.753) 2.478 1.621 ( -1.985 0.466 -1.076) 2.306 1.640 ( -1.604 -1.172 -0.632) 2.085 1.797 ( -3.046 1.572 0.815) 3.523 1.808 ( -2.951 2.044 -1.355) 3.837 1.872 ( -1.024 0.002 -1.304) 1.658 1.899 ( -0.702 0.145 -1.902) 2.033 2.040 ( -9.288 1.250 3.586) 10.035 2.063 ( -1.211 2.006 0.489) 2.394 2.148 ( -1.566 1.625 2.181) 3.139 2.174 ( -4.890 1.659 2.346) 5.671 2.253 ( -5.253 -0.840 2.016) 5.688 2.303 ( 1.818 -2.829 3.235) 4.666 2.633 ( -1.880 2.294 1.760) 3.449 2.763 ( -1.073 -2.650 -2.207) 3.611 3.021 ( -1.302 -1.154 0.389) 1.783 3.096 ( -1.212 -3.749 -0.667) 3.996 3.356 ( -2.451 2.585 -2.998) 4.656 3.392 ( -2.936 1.134 -0.259) 3.158 3.499 ( -6.582 2.406 0.376) 7.018 3.615 ( -8.124 -2.155 -0.075) 8.405 3.749 ( -5.465 1.767 -2.608) 6.308 3.830 ( -5.404 -1.232 -1.797) 5.827 4.478 ( 0.895 10.795 2.251) 11.063 4.970 ( 1.645 -7.707 4.201) 8.930 5.060 ( 6.366 3.253 2.466) 7.563 5.233 ( 6.011 -3.131 -0.960) 6.845 5.271 ( -0.144 1.251 -2.147) 2.489 5.441 ( 5.305 -4.374 0.216) 6.879 5.566 ( 1.642 2.947 -5.268) 6.256 5.672 ( 2.025 -1.725 -1.988) 3.321 6.231 ( -17.406 2.329 -0.143) 17.562 6.328 ( -9.390 1.941 -0.944) 9.635 6.412 ( -9.372 0.071 -1.208) 9.450 6.437 ( -16.163 1.819 1.996) 16.387 6.552 ( -5.435 -2.484 -0.244) 5.981 6.619 ( -0.971 -2.375 1.570) 3.008 6.692 ( -0.852 -1.918 4.066) 4.576 6.770 ( -0.842 -3.927 1.876) 4.433 6.989 ( -5.563 -0.256 -2.369) 6.052 7.032 ( -4.078 -0.896 0.689) 4.232 7.343 ( -4.111 4.102 3.843) 6.964 7.415 ( -2.685 3.272 2.674) 5.006 7.967 ( -3.163 -0.720 -0.519) 3.285 8.036 ( -2.991 -2.534 -0.406) 3.941 8.148 ( -1.562 1.867 0.171) 2.440 8.190 ( -3.597 0.434 -1.161) 3.805 8.783 ( 0.174 1.789 0.074) 1.799 8.872 ( 2.283 -2.571 0.337) 3.454 9.050 ( -0.279 2.374 -1.785) 2.983 9.106 ( 0.007 -0.648 -0.240) 0.691 9.441 ( -0.008 0.979 -2.040) 2.263 9.518 ( -0.633 -1.927 -1.160) 2.337 9.714 ( 1.518 -0.134 0.455) 1.591 9.735 ( 1.417 -0.875 2.941) 3.380 10.341 ( -0.787 1.395 -0.390) 1.649 10.421 ( -0.174 -1.895 1.090) 2.193 10.720 ( -1.021 1.974 -0.477) 2.273 10.797 ( -1.404 -1.162 -0.888) 2.027 ======================= Grid point 59 (30/87) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -8.836 1.620 2.387) 9.295 0.767 ( -8.133 4.373 4.660) 10.343 0.851 ( -4.032 -4.207 -3.433) 6.763 0.904 ( -2.267 -1.448 3.095) 4.101 0.959 ( -4.359 -3.576 -1.228) 5.771 1.015 ( -1.091 -5.034 2.117) 5.569 1.110 ( -4.565 2.255 0.649) 5.133 1.171 ( -2.573 1.556 0.372) 3.030 1.219 ( -5.974 -0.240 0.192) 5.982 1.244 ( -2.231 0.880 -0.562) 2.463 1.295 ( -1.363 0.168 2.068) 2.483 1.305 ( -2.585 -0.942 -1.292) 3.039 1.363 ( -5.868 3.916 -1.492) 7.211 1.490 ( -4.092 -1.566 2.198) 4.902 1.546 ( -3.156 -0.532 -0.359) 3.221 1.570 ( -6.181 -1.715 -1.304) 6.546 1.694 ( -9.105 4.911 6.040) 11.979 1.745 ( -3.890 1.687 -1.074) 4.374 1.784 ( -7.226 2.836 1.092) 7.839 1.828 ( -6.435 1.642 -1.312) 6.770 1.840 ( -1.195 0.120 -2.107) 2.425 2.012 ( -2.479 -3.276 5.143) 6.582 2.037 ( -5.741 0.794 2.587) 6.347 2.104 ( -6.767 -1.907 3.127) 7.695 2.205 ( 3.863 3.678 -1.609) 5.571 2.361 ( 2.784 -3.104 1.256) 4.355 2.611 ( -0.409 2.393 1.142) 2.683 2.730 ( -1.678 -2.394 -2.224) 3.673 2.981 ( -2.307 -1.287 1.133) 2.875 3.054 ( -2.723 -3.468 -0.017) 4.410 3.261 ( -6.429 0.035 -1.347) 6.569 3.296 ( -5.945 -0.929 -1.038) 6.106 3.354 ( -6.174 3.632 0.177) 7.165 3.429 ( -8.555 -0.220 -0.950) 8.610 3.616 ( -6.237 1.982 -2.425) 6.979 3.698 ( -6.175 -1.148 -1.719) 6.512 4.510 ( 1.966 14.070 0.625) 14.220 4.984 ( -1.108 -2.413 1.745) 3.177 5.097 ( -7.679 2.023 3.185) 8.556 5.149 ( -15.152 -1.028 2.452) 15.384 5.296 ( -2.412 -6.344 -6.664) 9.512 5.442 ( -7.579 -7.663 -2.331) 11.028 5.616 ( -9.447 2.556 3.379) 10.353 5.666 ( -15.564 2.135 -2.980) 15.990 5.803 ( 2.722 4.298 0.125) 5.089 5.938 ( -16.202 -2.625 1.034) 16.446 6.073 ( -9.446 1.829 -1.095) 9.684 6.201 ( -9.574 -3.498 -5.985) 11.820 6.515 ( 1.525 0.918 2.684) 3.220 6.640 ( 1.573 2.347 -1.833) 3.368 6.675 ( -0.835 -1.441 3.364) 3.754 6.777 ( 1.040 0.209 4.295) 4.424 6.882 ( -3.859 -0.897 -1.415) 4.207 6.953 ( -2.995 -0.461 1.437) 3.354 7.269 ( -3.132 1.117 2.018) 3.889 7.361 ( -2.207 0.053 3.691) 4.301 7.903 ( -2.327 -0.103 -0.804) 2.465 7.980 ( -1.967 -1.750 -0.485) 2.677 8.092 ( -3.574 1.343 0.373) 3.836 8.114 ( -3.204 0.884 -0.740) 3.405 8.792 ( 0.441 2.470 0.146) 2.514 8.914 ( 1.571 -3.139 -0.717) 3.582 9.040 ( -0.398 2.681 -1.485) 3.090 9.113 ( 0.561 -0.696 -1.047) 1.377 9.463 ( 2.164 0.547 -2.615) 3.438 9.524 ( 1.210 -2.074 -3.068) 3.896 9.697 ( -2.979 0.129 2.852) 4.126 9.742 ( -0.851 -1.854 5.287) 5.667 10.353 ( 1.814 1.322 -2.226) 3.161 10.430 ( 0.929 -1.933 -0.564) 2.218 10.680 ( -2.723 1.820 0.324) 3.291 10.746 ( -3.278 -0.931 -0.015) 3.408 ======================= Grid point 60 (31/87) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -8.474 4.591 3.754) 10.343 0.520 ( -15.635 4.632 2.435) 16.488 0.672 ( -10.741 -2.562 0.274) 11.045 0.846 ( -3.875 -5.106 -3.390) 7.251 0.877 ( -12.919 0.080 0.009) 12.920 0.943 ( -6.173 -2.869 -0.778) 6.852 0.953 ( -8.992 -0.714 0.669) 9.045 1.021 ( -10.176 4.769 4.299) 12.032 1.040 ( -3.126 0.715 2.425) 4.021 1.134 ( -5.823 2.130 2.563) 6.709 1.211 ( -5.512 -1.578 -0.577) 5.763 1.247 ( -2.062 5.431 1.857) 6.098 1.276 ( -2.982 0.228 2.261) 3.749 1.376 ( -4.610 1.084 0.414) 4.754 1.461 ( -3.160 0.029 2.339) 3.932 1.482 ( -1.491 -1.001 -2.234) 2.867 1.550 ( -3.491 2.817 4.880) 6.628 1.663 ( -3.337 1.062 3.883) 5.229 1.677 ( -2.919 0.784 -2.161) 3.716 1.754 ( -0.978 2.891 -2.465) 3.923 1.858 ( 1.937 -1.822 -0.549) 2.716 1.919 ( -4.218 -2.924 6.005) 7.900 1.995 ( -0.614 -1.135 1.632) 2.081 2.024 ( -0.945 -0.804 -0.233) 1.262 2.271 ( 2.230 3.084 -2.332) 4.464 2.404 ( 0.927 -2.561 0.062) 2.724 2.587 ( -2.796 2.432 -0.037) 3.706 2.700 ( -1.011 -2.001 -2.923) 3.683 2.941 ( -1.278 -2.787 3.329) 4.526 2.979 ( -3.751 -2.744 1.447) 4.868 3.133 ( -4.624 -1.154 0.205) 4.770 3.165 ( -5.904 -1.989 -1.916) 6.518 3.230 ( -5.602 2.721 1.095) 6.323 3.267 ( -5.985 0.704 -2.213) 6.419 3.505 ( -3.858 2.639 -2.564) 5.332 3.586 ( -4.208 -0.388 -2.151) 4.742 4.507 ( -10.610 9.286 -1.970) 14.237 4.665 ( -19.637 1.183 -1.388) 19.721 4.721 ( -13.522 4.524 1.181) 14.308 4.903 ( -23.002 4.103 1.666) 23.425 4.972 ( -15.442 -0.699 6.004) 16.583 5.070 ( -8.064 4.372 -6.607) 11.305 5.367 ( -0.209 -7.649 -5.995) 9.721 5.612 ( -2.078 -10.673 -1.559) 10.985 5.914 ( 5.960 7.839 0.368) 9.855 5.939 ( 4.949 0.041 -2.793) 5.683 6.093 ( 1.469 -6.720 -3.207) 7.590 6.113 ( 5.068 0.118 1.452) 5.273 6.532 ( -0.459 1.240 1.837) 2.263 6.638 ( -1.335 -2.230 -1.278) 2.897 6.705 ( 3.107 6.016 2.498) 7.217 6.756 ( -2.946 4.260 1.130) 5.301 6.828 ( -2.487 -0.927 4.056) 4.848 6.961 ( 4.631 -1.239 0.840) 4.867 7.207 ( -2.626 0.589 0.664) 2.772 7.330 ( -0.681 -3.713 4.886) 6.174 7.877 ( -0.069 0.672 -0.901) 1.126 7.952 ( -0.828 -0.204 0.110) 0.860 8.015 ( -3.467 0.816 0.507) 3.597 8.055 ( -1.948 0.092 -1.243) 2.313 8.807 ( 1.407 3.873 -0.597) 4.164 8.947 ( 2.019 -2.531 -1.705) 3.659 9.036 ( -0.101 2.110 -1.598) 2.648 9.122 ( 0.105 -1.181 -1.673) 2.051 9.518 ( 2.329 -0.648 -1.379) 2.783 9.539 ( -2.565 -2.876 -1.184) 4.031 9.623 ( -1.765 0.636 0.400) 1.918 9.696 ( -3.986 -3.403 1.983) 5.604 10.403 ( 2.860 1.085 -1.270) 3.313 10.458 ( 1.783 -1.268 -0.586) 2.265 10.611 ( -3.559 1.522 0.413) 3.893 10.667 ( -3.933 -0.725 0.360) 4.015 ======================= Grid point 61 (32/87) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 3.741 -2.087 -5.169) 6.714 0.403 ( 3.741 2.087 -5.169) 6.714 0.585 ( 1.038 -5.876 0.343) 5.977 0.585 ( 1.038 5.876 0.343) 5.977 0.689 ( -2.237 -4.546 -1.627) 5.321 0.689 ( -2.237 4.546 -1.627) 5.321 0.924 ( -0.439 -2.459 1.242) 2.790 0.924 ( -0.439 2.459 1.242) 2.790 1.065 ( -0.145 -3.731 -0.081) 3.734 1.065 ( -0.145 3.731 -0.081) 3.734 1.230 ( 0.009 -6.404 5.032) 8.144 1.230 ( 0.009 6.404 5.032) 8.144 1.305 ( -1.442 -3.497 -0.097) 3.784 1.305 ( -1.442 3.497 -0.097) 3.784 1.435 ( 0.995 -2.726 1.848) 3.440 1.435 ( 0.995 2.726 1.848) 3.440 1.578 ( -4.084 -6.665 3.254) 8.467 1.578 ( -4.084 6.665 3.254) 8.467 1.681 ( 0.533 -3.160 2.643) 4.154 1.681 ( 0.533 3.160 2.643) 4.154 1.849 ( 1.380 -1.452 0.705) 2.124 1.849 ( 1.380 1.452 0.705) 2.124 2.016 ( 0.232 -3.048 -2.066) 3.690 2.016 ( 0.232 3.048 -2.066) 3.690 2.359 ( 0.781 -2.256 -0.893) 2.549 2.359 ( 0.781 2.256 -0.893) 2.549 2.614 ( -1.047 -4.713 -1.513) 5.059 2.614 ( -1.047 4.713 -1.513) 5.059 2.892 ( -0.334 -2.207 3.876) 4.473 2.892 ( -0.334 2.207 3.876) 4.473 3.063 ( -0.071 -0.847 -0.111) 0.857 3.063 ( -0.071 0.847 -0.111) 0.857 3.194 ( 0.157 -0.647 -1.597) 1.730 3.194 ( 0.157 0.647 -1.597) 1.730 3.520 ( 0.046 -1.792 -2.439) 3.027 3.520 ( 0.046 1.792 -2.439) 3.027 4.308 ( -0.908 -2.865 0.416) 3.034 4.308 ( -0.908 2.865 0.416) 3.034 4.678 ( -1.769 -2.954 0.053) 3.444 4.678 ( -1.769 2.954 0.053) 3.444 5.069 ( 2.501 -6.527 -4.792) 8.475 5.069 ( 2.501 6.527 -4.792) 8.475 5.320 ( -1.712 -8.872 -4.444) 10.069 5.320 ( -1.712 8.872 -4.444) 10.069 6.002 ( -1.767 -1.388 -0.912) 2.425 6.002 ( -1.767 1.388 -0.912) 2.425 6.177 ( 2.579 -6.697 -0.237) 7.181 6.177 ( 2.579 6.697 -0.237) 7.181 6.551 ( -0.961 -1.981 0.217) 2.212 6.551 ( -0.961 1.981 0.217) 2.212 6.742 ( -0.395 -0.905 0.067) 0.990 6.742 ( -0.395 0.905 0.067) 0.990 6.942 ( 0.796 -7.713 4.320) 8.876 6.942 ( 0.796 7.713 4.320) 8.876 7.243 ( 1.063 -3.783 3.515) 5.272 7.243 ( 1.063 3.783 3.515) 5.272 7.927 ( 0.738 -1.710 0.240) 1.878 7.927 ( 0.738 1.710 0.240) 1.878 7.999 ( -0.498 -2.523 -1.265) 2.866 7.999 ( -0.498 2.523 -1.265) 2.866 8.969 ( 5.167 -2.987 -2.949) 6.657 8.969 ( 5.167 2.987 -2.949) 6.657 9.060 ( -1.695 -2.057 -2.008) 3.337 9.060 ( -1.695 2.057 -2.008) 3.337 9.395 ( -7.801 -4.684 0.118) 9.100 9.395 ( -7.801 4.684 0.118) 9.100 9.650 ( 1.562 -1.936 -0.374) 2.516 9.650 ( 1.562 1.936 -0.374) 2.516 10.484 ( 2.319 -0.803 0.558) 2.517 10.484 ( 2.319 0.803 0.558) 2.517 10.575 ( -1.999 -1.371 -0.499) 2.475 10.575 ( -1.999 1.371 -0.499) 2.475 ======================= Grid point 63 (33/87) ======================= q-point: ( 0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 5.843 -8.397 -3.036) 10.671 0.564 ( 5.843 8.397 -3.036) 10.671 0.753 ( 9.262 -4.168 -0.586) 10.174 0.753 ( 9.262 4.168 -0.586) 10.174 0.862 ( 12.790 -1.390 -0.530) 12.877 0.862 ( 12.790 1.390 -0.530) 12.877 0.948 ( 5.093 -1.572 1.249) 5.474 0.948 ( 5.093 1.572 1.249) 5.474 1.137 ( 5.661 -1.468 -0.245) 5.853 1.137 ( 5.661 1.468 -0.245) 5.853 1.246 ( 2.741 -5.173 2.720) 6.456 1.246 ( 2.741 5.173 2.720) 6.456 1.326 ( 3.598 -4.081 0.968) 5.526 1.326 ( 3.598 4.081 0.968) 5.526 1.492 ( 4.135 -3.326 2.343) 5.800 1.492 ( 4.135 3.326 2.343) 5.800 1.535 ( 0.174 -4.931 -0.047) 4.934 1.535 ( 0.174 4.931 -0.047) 4.934 1.722 ( 3.947 -3.408 1.937) 5.563 1.722 ( 3.947 3.408 1.937) 5.563 1.883 ( 1.838 -0.795 2.128) 2.922 1.883 ( 1.838 0.795 2.128) 2.922 2.002 ( -1.373 -2.612 -0.965) 3.104 2.002 ( -1.373 2.612 -0.965) 3.104 2.370 ( -0.217 -1.063 0.172) 1.098 2.370 ( -0.217 1.063 0.172) 1.098 2.607 ( 0.227 -5.158 -2.171) 5.601 2.607 ( 0.227 5.158 -2.171) 5.601 2.911 ( 1.849 -2.354 2.110) 3.662 2.911 ( 1.849 2.354 2.110) 3.662 3.146 ( 6.960 -1.680 0.606) 7.185 3.146 ( 6.960 1.680 0.606) 7.185 3.255 ( 5.033 -1.727 -1.921) 5.657 3.255 ( 5.033 1.727 -1.921) 5.657 3.553 ( 2.979 -2.031 -2.564) 4.424 3.553 ( 2.979 2.031 -2.564) 4.424 4.594 ( 24.284 -1.796 -0.790) 24.363 4.594 ( 24.284 1.796 -0.790) 24.363 4.833 ( 11.927 -2.673 -1.532) 12.318 4.833 ( 11.927 2.673 -1.532) 12.318 5.092 ( 1.302 -10.812 0.672) 10.911 5.092 ( 1.302 10.812 0.672) 10.911 5.334 ( 6.238 -2.130 -5.914) 8.855 5.334 ( 6.238 2.130 -5.914) 8.855 5.915 ( -6.212 -0.530 -1.444) 6.399 5.915 ( -6.212 0.530 -1.444) 6.399 6.149 ( -3.300 -4.545 0.831) 5.678 6.149 ( -3.300 4.545 0.831) 5.678 6.550 ( 0.877 -0.702 -0.837) 1.401 6.550 ( 0.877 0.702 -0.837) 1.401 6.776 ( 3.374 -0.087 -1.367) 3.641 6.776 ( 3.374 0.087 -1.367) 3.641 6.934 ( -2.458 -7.016 6.887) 10.134 6.934 ( -2.458 7.016 6.887) 10.134 7.267 ( 1.642 -0.537 3.262) 3.691 7.267 ( 1.642 0.537 3.262) 3.691 7.945 ( 1.077 -1.607 0.708) 2.060 7.945 ( 1.077 1.607 0.708) 2.060 8.022 ( 2.257 -3.633 -1.471) 4.523 8.022 ( 2.257 3.633 -1.471) 4.523 8.970 ( -3.930 -2.188 0.537) 4.530 8.970 ( -3.930 2.188 0.537) 4.530 9.105 ( 3.924 -2.133 -0.651) 4.513 9.105 ( 3.924 2.133 -0.651) 4.513 9.293 ( -0.070 -7.562 -7.511) 10.658 9.293 ( -0.070 7.562 -7.511) 10.658 9.659 ( -0.959 -2.589 2.244) 3.558 9.659 ( -0.959 2.589 2.244) 3.558 10.508 ( -0.177 -0.609 2.130) 2.223 10.508 ( -0.177 0.609 2.130) 2.223 10.581 ( 2.501 -1.317 -2.465) 3.750 10.581 ( 2.501 1.317 -2.465) 3.750 ======================= Grid point 65 (34/87) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 3.680 -7.512 -3.848) 9.208 0.656 ( 3.680 7.512 -3.848) 9.208 0.886 ( 2.647 -2.089 1.882) 3.862 0.886 ( 2.647 2.089 1.882) 3.862 1.009 ( 6.051 -2.819 2.162) 7.017 1.009 ( 6.051 2.819 2.162) 7.017 1.107 ( 5.133 -1.216 0.997) 5.369 1.107 ( 5.133 1.216 0.997) 5.369 1.228 ( 3.142 -1.500 -0.106) 3.483 1.228 ( 3.142 1.500 -0.106) 3.483 1.299 ( 0.687 -1.553 0.368) 1.737 1.299 ( 0.687 1.553 0.368) 1.737 1.481 ( 5.709 -3.262 1.843) 6.829 1.481 ( 5.709 3.262 1.843) 6.829 1.555 ( 5.354 -4.580 -3.959) 8.082 1.555 ( 5.354 4.580 -3.959) 8.082 1.623 ( 5.056 -2.297 2.153) 5.956 1.623 ( 5.056 2.297 2.153) 5.956 1.863 ( 6.511 -0.600 0.383) 6.550 1.863 ( 6.511 0.600 0.383) 6.550 1.940 ( 5.233 -2.453 1.633) 6.006 1.940 ( 5.233 2.453 1.633) 6.006 2.004 ( 3.306 -1.989 1.424) 4.113 2.004 ( 3.306 1.989 1.424) 4.113 2.341 ( -2.405 -0.598 1.845) 3.089 2.341 ( -2.405 0.598 1.845) 3.089 2.622 ( 1.429 -5.035 -2.204) 5.679 2.622 ( 1.429 5.035 -2.204) 5.679 2.958 ( 2.335 -1.015 0.208) 2.554 2.958 ( 2.335 1.015 0.208) 2.554 3.312 ( 7.602 -1.741 1.315) 7.909 3.312 ( 7.602 1.741 1.315) 7.909 3.377 ( 6.265 -3.480 -2.847) 7.712 3.377 ( 6.265 3.480 -2.847) 7.712 3.645 ( 5.848 -2.428 -2.913) 6.970 3.645 ( 5.848 2.428 -2.913) 6.970 4.856 ( -2.436 -6.311 2.575) 7.238 4.856 ( -2.436 6.311 2.575) 7.238 5.081 ( 7.554 -10.108 -1.997) 12.776 5.081 ( 7.554 10.108 -1.997) 12.776 5.225 ( 10.479 -5.831 -3.294) 12.436 5.225 ( 10.479 5.831 -3.294) 12.436 5.651 ( 10.071 -1.661 0.787) 10.237 5.651 ( 10.071 1.661 0.787) 10.237 5.829 ( 10.271 -8.087 -3.186) 13.455 5.829 ( 10.271 8.087 -3.186) 13.455 6.156 ( 6.291 -5.404 -1.141) 8.372 6.156 ( 6.291 5.404 -1.141) 8.372 6.570 ( 0.898 -1.686 -0.607) 2.005 6.570 ( 0.898 1.686 -0.607) 2.005 6.838 ( -2.586 -2.557 4.782) 6.008 6.838 ( -2.586 2.557 4.782) 6.008 6.885 ( 3.525 -2.704 2.610) 5.152 6.885 ( 3.525 2.704 2.610) 5.152 7.328 ( 3.869 -2.575 1.937) 5.035 7.328 ( 3.869 2.575 1.937) 5.035 7.973 ( 1.457 -1.886 1.081) 2.617 7.973 ( 1.457 1.886 1.081) 2.617 8.082 ( 3.373 -3.339 -1.862) 5.098 8.082 ( 3.373 3.339 -1.862) 5.098 8.897 ( -2.805 -2.522 0.989) 3.900 8.897 ( -2.805 2.522 0.989) 3.900 9.133 ( -0.354 -1.279 1.537) 2.030 9.133 ( -0.354 1.279 1.537) 2.030 9.376 ( 6.364 -3.910 -9.772) 12.300 9.376 ( 6.364 3.910 -9.772) 12.300 9.619 ( -2.547 -2.792 3.212) 4.960 9.619 ( -2.547 2.792 3.212) 4.960 10.490 ( -1.543 -0.710 3.014) 3.460 10.490 ( -1.543 0.710 3.014) 3.460 10.652 ( 3.847 -1.749 -3.038) 5.204 10.652 ( 3.847 1.749 -3.038) 5.204 ======================= Grid point 67 (35/87) ======================= q-point: ( 0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 2.868 -4.021 -3.282) 5.930 0.724 ( 2.868 4.021 -3.282) 5.930 0.926 ( 1.345 -1.416 0.864) 2.136 0.926 ( 1.345 1.416 0.864) 2.136 1.069 ( 0.145 -1.172 4.125) 4.291 1.069 ( 0.145 1.172 4.125) 4.291 1.196 ( 2.966 -3.297 0.047) 4.435 1.196 ( 2.966 3.297 0.047) 4.435 1.281 ( 0.504 -0.994 0.828) 1.388 1.281 ( 0.504 0.994 0.828) 1.388 1.305 ( 1.510 -1.451 0.923) 2.289 1.305 ( 1.510 1.451 0.923) 2.289 1.518 ( 0.320 -1.809 -0.258) 1.856 1.518 ( 0.320 1.809 -0.258) 1.856 1.637 ( 1.031 -1.840 -0.329) 2.135 1.637 ( 1.031 1.840 -0.329) 2.135 1.743 ( 5.802 -1.912 -2.002) 6.428 1.743 ( 5.802 1.912 -2.002) 6.428 1.905 ( 0.190 -1.517 -0.594) 1.640 1.905 ( 0.190 1.517 -0.594) 1.640 2.070 ( 4.026 -0.747 2.042) 4.576 2.070 ( 4.026 0.747 2.042) 4.576 2.168 ( 8.453 -2.727 1.508) 9.009 2.168 ( 8.453 2.727 1.508) 9.009 2.287 ( -2.039 -1.661 3.002) 3.991 2.287 ( -2.039 1.661 3.002) 3.991 2.667 ( 2.571 -4.679 -1.387) 5.516 2.667 ( 2.571 4.679 -1.387) 5.516 3.005 ( 1.993 -1.412 -0.481) 2.489 3.005 ( 1.993 1.412 -0.481) 2.489 3.415 ( 2.405 -1.114 -1.379) 2.988 3.415 ( 2.405 1.114 -1.379) 2.988 3.535 ( 7.781 -3.880 -0.969) 8.749 3.535 ( 7.781 3.880 -0.969) 8.749 3.781 ( 6.149 -2.370 -2.709) 7.125 3.781 ( 6.149 2.370 -2.709) 7.125 4.771 ( -4.430 -10.523 5.056) 12.487 4.771 ( -4.430 10.523 5.056) 12.487 5.114 ( -2.419 -5.792 -0.772) 6.324 5.114 ( -2.419 5.792 -0.772) 6.324 5.293 ( -0.515 -2.935 -4.842) 5.686 5.293 ( -0.515 2.935 -4.842) 5.686 5.638 ( -2.176 -3.275 -0.008) 3.932 5.638 ( -2.176 3.275 -0.008) 3.932 6.266 ( 17.267 -3.618 -2.191) 17.777 6.266 ( 17.267 3.618 -2.191) 17.777 6.355 ( 7.542 -1.743 -3.229) 8.388 6.355 ( 7.542 1.743 -3.229) 8.388 6.616 ( 4.379 -2.099 2.682) 5.548 6.616 ( 4.379 2.099 2.682) 5.548 6.771 ( -2.682 -2.001 6.893) 7.662 6.771 ( -2.682 2.001 6.893) 7.662 6.999 ( 5.353 -1.310 -0.524) 5.536 6.999 ( 5.353 1.310 -0.524) 5.536 7.425 ( 4.745 -1.875 1.614) 5.351 7.425 ( 4.745 1.875 1.614) 5.351 8.006 ( 1.517 -2.270 0.848) 2.859 8.006 ( 1.517 2.270 0.848) 2.859 8.158 ( 3.524 -2.721 -2.100) 4.923 8.158 ( 3.524 2.721 -2.100) 4.923 8.846 ( -2.125 -1.378 0.968) 2.711 8.846 ( -2.125 1.378 0.968) 2.711 9.116 ( -1.134 -1.374 0.483) 1.846 9.116 ( -1.134 1.374 0.483) 1.846 9.498 ( 3.690 -2.706 -4.428) 6.367 9.498 ( 3.690 2.706 -4.428) 6.367 9.580 ( 0.240 -2.346 0.319) 2.379 9.580 ( 0.240 2.346 0.319) 2.379 10.450 ( -2.193 -1.046 3.304) 4.101 10.450 ( -2.193 1.046 3.304) 4.101 10.726 ( 2.944 -2.163 -2.531) 4.445 10.726 ( 2.944 2.163 -2.531) 4.445 ======================= Grid point 69 (36/87) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 1.709 -1.494 -3.027) 3.783 0.773 ( 1.709 1.494 -3.027) 3.783 0.941 ( -0.073 -2.795 0.978) 2.962 0.941 ( -0.073 2.795 0.978) 2.962 1.049 ( -1.814 -1.804 3.155) 4.062 1.049 ( -1.814 1.804 3.155) 4.062 1.236 ( 1.290 -1.414 0.610) 2.009 1.236 ( 1.290 1.414 0.610) 2.009 1.268 ( -1.206 -1.693 2.172) 3.007 1.268 ( -1.206 1.693 2.172) 3.007 1.332 ( 0.080 -1.564 -0.118) 1.571 1.332 ( 0.080 1.564 -0.118) 1.571 1.515 ( -0.486 -1.249 -1.069) 1.714 1.515 ( -0.486 1.249 -1.069) 1.714 1.645 ( -0.057 -1.000 0.140) 1.011 1.645 ( -0.057 1.000 0.140) 1.011 1.837 ( 2.868 -1.096 -1.690) 3.505 1.837 ( 2.868 1.096 -1.690) 3.505 1.891 ( -1.287 -1.712 -0.730) 2.263 1.891 ( -1.287 1.712 -0.730) 2.263 2.110 ( 0.165 -1.737 0.615) 1.850 2.110 ( 0.165 1.737 0.615) 1.850 2.235 ( -1.061 -0.951 4.141) 4.379 2.235 ( -1.061 0.951 4.141) 4.379 2.289 ( 0.222 -0.451 1.785) 1.855 2.289 ( 0.222 0.451 1.785) 1.855 2.706 ( 0.708 -3.353 -0.633) 3.485 2.706 ( 0.708 3.353 -0.633) 3.485 3.034 ( 0.635 -1.953 -0.373) 2.087 3.034 ( 0.635 1.953 -0.373) 2.087 3.435 ( -0.347 -1.203 -2.050) 2.402 3.435 ( -0.347 1.203 -2.050) 2.402 3.637 ( 0.629 -3.775 -0.599) 3.873 3.637 ( 0.629 3.775 -0.599) 3.873 3.857 ( 0.278 -2.306 -2.563) 3.460 3.857 ( 0.278 2.306 -2.563) 3.460 4.710 ( -0.738 -12.195 4.884) 13.157 4.710 ( -0.738 12.195 4.884) 13.157 5.063 ( 0.287 -5.179 0.919) 5.268 5.063 ( 0.287 5.179 0.919) 5.268 5.314 ( 2.033 -1.556 -3.506) 4.341 5.314 ( 2.033 1.556 -3.506) 4.341 5.602 ( -0.749 -3.314 -2.073) 3.981 5.602 ( -0.749 3.314 -2.073) 3.981 6.416 ( 1.675 -4.629 -0.756) 4.981 6.416 ( 1.675 4.629 -0.756) 4.981 6.481 ( 1.842 -1.293 -2.104) 3.081 6.481 ( 1.842 1.293 -2.104) 3.081 6.674 ( -1.634 -1.550 2.397) 3.289 6.674 ( -1.634 1.550 2.397) 3.289 6.725 ( -1.973 -2.653 5.421) 6.349 6.725 ( -1.973 2.653 5.421) 6.349 7.064 ( -0.055 -1.186 -0.636) 1.347 7.064 ( -0.055 1.186 -0.636) 1.347 7.486 ( -0.066 -0.633 1.635) 1.754 7.486 ( -0.066 0.633 1.635) 1.754 8.021 ( -0.584 -2.280 0.255) 2.367 8.021 ( -0.584 2.280 0.255) 2.367 8.208 ( 0.742 -2.172 -1.806) 2.920 8.208 ( 0.742 2.172 -1.806) 2.920 8.815 ( -0.579 -0.467 0.722) 1.037 8.815 ( -0.579 0.467 0.722) 1.037 9.093 ( -0.721 -1.426 -0.216) 1.613 9.093 ( -0.721 1.426 -0.216) 1.613 9.496 ( -1.447 -2.522 -0.045) 2.908 9.496 ( -1.447 2.522 -0.045) 2.908 9.655 ( 4.353 -1.255 -1.936) 4.926 9.655 ( 4.353 1.255 -1.936) 4.926 10.405 ( -1.949 -1.548 2.438) 3.484 10.405 ( -1.949 1.548 2.438) 3.484 10.767 ( 0.943 -2.218 -1.641) 2.915 10.767 ( 0.943 2.218 -1.641) 2.915 ======================= Grid point 71 (37/87) ======================= q-point: (-0.38 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.110 -2.820 -4.336) 5.290 0.783 ( -1.110 2.820 -4.336) 5.290 0.920 ( -1.684 -2.974 2.765) 4.396 0.920 ( -1.684 2.974 2.765) 4.396 1.000 ( -3.052 -3.068 2.775) 5.141 1.000 ( -3.052 3.068 2.775) 5.141 1.226 ( -2.458 -1.768 1.125) 3.230 1.226 ( -2.458 1.768 1.125) 3.230 1.267 ( 1.126 -1.389 0.935) 2.018 1.267 ( 1.126 1.389 0.935) 2.018 1.311 ( -1.704 -1.529 0.469) 2.337 1.311 ( -1.704 1.529 0.469) 2.337 1.495 ( -1.592 -1.862 -0.692) 2.546 1.495 ( -1.592 1.862 -0.692) 2.546 1.628 ( -2.000 -0.223 -0.618) 2.105 1.628 ( -2.000 0.223 -0.618) 2.105 1.823 ( -2.696 -0.910 -0.247) 2.856 1.823 ( -2.696 0.910 -0.247) 2.856 1.888 ( -0.394 -1.338 -1.841) 2.310 1.888 ( -0.394 1.338 -1.841) 2.310 2.066 ( -5.525 -1.132 3.154) 6.461 2.066 ( -5.525 1.132 3.154) 6.461 2.212 ( -4.488 -2.038 1.105) 5.052 2.212 ( -4.488 2.038 1.105) 5.052 2.232 ( -0.786 -2.967 3.041) 4.321 2.232 ( -0.786 2.967 3.041) 4.321 2.696 ( -1.268 -3.603 -0.247) 3.828 2.696 ( -1.268 3.603 -0.247) 3.828 3.028 ( -1.161 -2.140 0.056) 2.436 3.028 ( -1.161 2.140 0.056) 2.436 3.395 ( -3.678 -1.034 -2.022) 4.322 3.395 ( -3.678 1.034 -2.022) 4.322 3.560 ( -6.601 -3.175 -0.049) 7.325 3.560 ( -6.601 3.175 -0.049) 7.325 3.792 ( -5.524 -2.276 -2.446) 6.456 3.792 ( -5.524 2.276 -2.446) 6.456 4.742 ( 2.948 -13.708 3.130) 14.366 4.742 ( 2.948 13.708 3.130) 14.366 5.146 ( 5.676 -4.840 1.065) 7.535 5.146 ( 5.676 4.840 1.065) 7.535 5.340 ( -0.270 -4.946 -2.148) 5.399 5.340 ( -0.270 4.946 -2.148) 5.399 5.625 ( 3.341 -2.745 -1.598) 4.610 5.625 ( 3.341 2.745 -1.598) 4.610 6.301 ( -16.773 -3.830 -0.478) 17.211 6.301 ( -16.773 3.830 -0.478) 17.211 6.457 ( -6.354 -3.032 -2.787) 7.572 6.457 ( -6.354 3.032 -2.787) 7.572 6.531 ( -5.767 -3.701 1.975) 7.131 6.531 ( -5.767 3.701 1.975) 7.131 6.704 ( 0.107 -2.654 5.199) 5.838 6.704 ( 0.107 2.654 5.199) 5.838 7.004 ( -4.417 -1.422 -0.219) 4.645 7.004 ( -4.417 1.422 -0.219) 4.645 7.425 ( -4.757 -2.525 1.540) 5.602 7.425 ( -4.757 2.525 1.540) 5.602 7.981 ( -2.720 -2.190 -0.301) 3.505 7.981 ( -2.720 2.190 -0.301) 3.505 8.184 ( -2.556 -1.207 -1.015) 3.003 8.184 ( -2.556 1.207 -1.015) 3.003 8.824 ( 1.165 -2.188 0.232) 2.490 8.824 ( 1.165 2.188 0.232) 2.490 9.087 ( 0.015 -1.269 -0.821) 1.511 9.087 ( 0.015 1.269 -0.821) 1.511 9.473 ( -0.389 -2.172 -1.607) 2.730 9.473 ( -0.389 2.172 -1.607) 2.730 9.718 ( 1.313 -0.592 1.854) 2.348 9.718 ( 1.313 0.592 1.854) 2.348 10.378 ( -0.501 -2.137 0.371) 2.226 10.378 ( -0.501 2.137 0.371) 2.226 10.763 ( -1.204 -2.062 -0.704) 2.490 10.763 ( -1.204 2.062 -0.704) 2.490 ======================= Grid point 73 (38/87) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -5.084 -7.621 -5.425) 10.647 0.711 ( -5.084 7.621 -5.425) 10.647 0.848 ( -7.155 -3.317 4.192) 8.931 0.848 ( -7.155 3.317 4.192) 8.931 0.942 ( -1.189 -1.965 1.516) 2.752 0.942 ( -1.189 1.965 1.516) 2.752 1.159 ( -4.846 -2.180 0.991) 5.405 1.159 ( -4.846 2.180 0.991) 5.405 1.251 ( -2.257 -2.734 1.177) 3.735 1.251 ( -2.257 2.734 1.177) 3.735 1.285 ( -2.134 -1.436 -0.216) 2.581 1.285 ( -2.134 1.436 -0.216) 2.581 1.437 ( -3.799 -3.208 0.856) 5.046 1.437 ( -3.799 3.208 0.856) 5.046 1.546 ( -5.402 -0.546 -1.938) 5.765 1.546 ( -5.402 0.546 -1.938) 5.765 1.763 ( -3.945 -0.908 0.825) 4.132 1.763 ( -3.945 0.908 0.825) 4.132 1.830 ( -3.956 -1.323 -1.053) 4.302 1.830 ( -3.956 1.323 -1.053) 4.302 1.909 ( -7.848 -6.225 5.236) 11.303 1.909 ( -7.848 6.225 5.236) 11.303 2.063 ( -5.748 -1.764 2.810) 6.637 2.063 ( -5.748 1.764 2.810) 6.637 2.288 ( 3.355 -4.079 -0.410) 5.298 2.288 ( 3.355 4.079 -0.410) 5.298 2.670 ( -1.006 -3.203 -0.372) 3.378 2.670 ( -1.006 3.203 -0.372) 3.378 2.989 ( -2.525 -2.195 0.745) 3.428 2.989 ( -2.525 2.195 0.745) 3.428 3.272 ( -7.316 -1.067 -1.011) 7.462 3.272 ( -7.316 1.067 -1.011) 7.462 3.414 ( -6.857 -1.744 -0.544) 7.096 3.414 ( -6.857 1.744 -0.544) 7.096 3.662 ( -5.912 -2.289 -2.344) 6.759 3.662 ( -5.912 2.289 -2.344) 6.759 4.814 ( 3.399 -13.893 -0.249) 14.305 4.814 ( 3.399 13.893 -0.249) 14.305 5.127 ( -13.373 -1.242 2.758) 13.711 5.127 ( -13.373 1.242 2.758) 13.711 5.294 ( -3.418 -5.434 -3.365) 7.249 5.294 ( -3.418 5.434 -3.365) 7.249 5.669 ( -11.452 -2.052 2.770) 11.960 5.669 ( -11.452 2.052 2.770) 11.960 5.870 ( -8.678 -3.566 -1.699) 9.535 5.870 ( -8.678 3.566 -1.699) 9.535 6.137 ( -11.694 -3.844 -3.053) 12.683 6.137 ( -11.694 3.844 -3.053) 12.683 6.567 ( 1.831 -4.272 -0.937) 4.741 6.567 ( 1.831 4.272 -0.937) 4.741 6.738 ( 3.282 -3.552 4.794) 6.809 6.738 ( 3.282 3.552 4.794) 6.809 6.915 ( -3.682 -2.841 1.099) 4.779 6.915 ( -3.682 2.841 1.099) 4.779 7.323 ( -4.529 -3.277 1.552) 5.802 7.323 ( -4.529 3.277 1.552) 5.802 7.930 ( -1.656 -2.478 -0.790) 3.084 7.930 ( -1.656 2.478 -0.790) 3.084 8.117 ( -3.438 -0.637 -0.383) 3.517 8.117 ( -3.438 0.637 -0.383) 3.517 8.851 ( 1.226 -3.107 -0.396) 3.363 8.851 ( 1.226 3.107 -0.396) 3.363 9.087 ( -0.024 -1.893 -1.370) 2.337 9.087 ( -0.024 1.893 -1.370) 2.337 9.484 ( 1.401 -1.593 -2.580) 3.340 9.484 ( 1.401 1.593 -2.580) 3.340 9.709 ( -2.214 -1.161 4.154) 4.848 9.709 ( -2.214 1.161 4.154) 4.848 10.388 ( 1.396 -2.017 -1.305) 2.779 10.388 ( 1.396 2.017 -1.305) 2.779 10.718 ( -2.997 -1.775 0.087) 3.484 10.718 ( -2.997 1.775 0.087) 3.484 ======================= Grid point 75 (39/87) ======================= q-point: (-0.12 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -9.949 -7.249 -3.731) 12.863 0.571 ( -9.949 7.249 -3.731) 12.863 0.657 ( -7.497 -9.061 -0.147) 11.762 0.657 ( -7.497 9.061 -0.147) 11.762 0.905 ( -8.347 -1.692 -0.790) 8.553 0.905 ( -8.347 1.692 -0.790) 8.553 0.964 ( -7.861 -2.209 2.041) 8.417 0.964 ( -7.861 2.209 2.041) 8.417 1.158 ( -7.830 -3.611 -0.695) 8.651 1.158 ( -7.830 3.611 -0.695) 8.651 1.225 ( -0.179 -4.496 3.021) 5.420 1.225 ( -0.179 4.496 3.021) 5.420 1.365 ( -3.294 -3.787 2.454) 5.587 1.365 ( -3.294 3.787 2.454) 5.587 1.447 ( -2.495 -1.145 -0.709) 2.836 1.447 ( -2.495 1.145 -0.709) 2.836 1.677 ( -3.221 -1.530 3.120) 4.738 1.677 ( -3.221 1.530 3.120) 4.738 1.718 ( -6.258 -8.289 4.669) 11.387 1.718 ( -6.258 8.289 4.669) 11.387 1.828 ( 0.173 -2.385 -0.256) 2.405 1.828 ( 0.173 2.385 -0.256) 2.405 2.009 ( -0.185 -1.008 -0.041) 1.026 2.009 ( -0.185 1.008 -0.041) 1.026 2.341 ( 1.412 -3.525 -1.063) 3.943 2.341 ( 1.412 3.525 -1.063) 3.943 2.647 ( -1.435 -3.059 -0.895) 3.496 2.647 ( -1.435 3.059 -0.895) 3.496 2.927 ( -2.938 -1.483 2.372) 4.057 2.927 ( -2.938 1.483 2.372) 4.057 3.130 ( -5.316 -0.985 -0.339) 5.417 3.130 ( -5.316 0.985 -0.339) 5.417 3.267 ( -6.408 -0.784 -0.973) 6.529 3.267 ( -6.408 0.784 -0.973) 6.529 3.559 ( -3.507 -2.279 -2.462) 4.853 3.559 ( -3.507 2.279 -2.462) 4.853 4.615 ( -24.252 -3.585 0.218) 24.517 4.615 ( -24.252 3.585 0.218) 24.517 4.877 ( -7.070 -5.830 -0.912) 9.209 4.877 ( -7.070 5.830 -0.912) 9.209 5.058 ( -10.123 -7.098 -1.768) 12.489 5.058 ( -10.123 7.098 -1.768) 12.489 5.376 ( -4.549 -10.016 -1.371) 11.085 5.376 ( -4.549 10.016 -1.371) 11.085 5.976 ( 5.499 -2.952 -2.113) 6.589 5.976 ( 5.499 2.952 -2.113) 6.589 6.070 ( 3.894 -4.433 -0.703) 5.942 6.070 ( 3.894 4.433 -0.703) 5.942 6.573 ( -0.771 -3.047 0.205) 3.150 6.573 ( -0.771 3.047 0.205) 3.150 6.777 ( -1.660 -2.373 1.489) 3.256 6.777 ( -1.660 2.373 1.489) 3.256 6.899 ( 2.797 -5.273 3.069) 6.712 6.899 ( 2.797 5.273 3.069) 6.712 7.246 ( -2.274 -3.545 2.371) 4.833 7.246 ( -2.274 3.545 2.371) 4.833 7.915 ( 0.153 -2.514 -0.699) 2.614 7.915 ( 0.153 2.514 -0.699) 2.614 8.044 ( -3.230 -1.226 -0.466) 3.486 8.044 ( -3.230 1.226 -0.466) 3.486 8.885 ( 2.508 -3.592 -1.651) 4.681 8.885 ( 2.508 3.592 -1.651) 4.681 9.083 ( -0.431 -2.402 -1.878) 3.079 9.083 ( -0.431 2.402 -1.878) 3.079 9.509 ( -0.674 -0.347 -0.491) 0.903 9.509 ( -0.674 0.347 -0.491) 0.903 9.644 ( -2.653 -1.726 1.616) 3.554 9.644 ( -2.653 1.726 1.616) 3.554 10.430 ( 2.464 -1.452 -0.985) 3.025 10.430 ( 2.464 1.452 -0.985) 3.025 10.643 ( -3.834 -1.508 0.362) 4.136 10.643 ( -3.834 1.508 0.362) 4.136 ======================= Grid point 85 (40/87) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 10.592 0.000 4.421) 11.477 0.446 ( -0.478 0.000 0.753) 0.892 0.641 ( -2.711 0.000 5.483) 6.116 0.667 ( -1.847 0.000 7.761) 7.977 0.756 ( -3.956 0.000 2.342) 4.598 0.774 ( 3.733 0.000 -1.734) 4.116 0.973 ( 1.793 0.000 2.308) 2.922 0.979 ( -1.065 0.000 -2.252) 2.491 0.986 ( -1.724 0.000 0.773) 1.889 1.112 ( -0.985 0.000 -1.532) 1.822 1.189 ( -1.801 0.000 6.997) 7.225 1.199 ( 0.547 0.000 3.937) 3.975 1.208 ( -1.680 0.000 -1.497) 2.250 1.359 ( -1.696 0.000 -2.401) 2.940 1.419 ( 3.587 0.000 3.080) 4.728 1.499 ( -3.356 0.000 0.356) 3.375 1.512 ( 2.863 0.000 0.130) 2.866 1.626 ( -1.531 0.000 4.031) 4.312 1.645 ( 1.649 0.000 -4.082) 4.402 1.764 ( -1.850 0.000 1.449) 2.350 1.890 ( -0.717 0.000 1.807) 1.944 1.932 ( 1.363 0.000 1.094) 1.748 1.949 ( -2.129 0.000 5.316) 5.726 2.138 ( 0.715 0.000 2.972) 3.057 2.259 ( 2.197 0.000 0.631) 2.286 2.441 ( -0.808 0.000 0.304) 0.863 2.449 ( -2.368 0.000 -0.354) 2.394 2.612 ( 1.960 0.000 -6.075) 6.383 2.989 ( -1.613 0.000 2.820) 3.249 3.015 ( -2.544 0.000 -1.706) 3.063 3.025 ( -2.294 0.000 -1.037) 2.518 3.097 ( -0.074 0.000 0.284) 0.293 3.150 ( 1.433 0.000 -4.166) 4.406 3.306 ( 8.562 0.000 0.027) 8.562 3.351 ( -0.716 0.000 -3.916) 3.981 3.443 ( -1.931 0.000 -4.693) 5.075 4.245 ( -2.312 0.000 0.659) 2.404 4.358 ( 2.124 0.000 1.409) 2.549 4.545 ( -1.455 0.000 3.058) 3.387 4.562 ( -6.118 0.000 6.002) 8.570 4.776 ( 5.817 0.000 -1.965) 6.140 5.029 ( -2.628 0.000 5.797) 6.365 5.251 ( -0.492 0.000 -12.421) 12.431 5.621 ( 2.331 0.000 -9.843) 10.115 5.867 ( -1.883 0.000 1.396) 2.344 5.970 ( 2.496 0.000 -2.388) 3.455 6.179 ( -3.215 0.000 2.470) 4.054 6.272 ( -2.130 0.000 2.158) 3.033 6.412 ( 1.724 0.000 1.201) 2.101 6.633 ( -2.659 0.000 -1.575) 3.091 6.672 ( 0.613 0.000 -0.138) 0.628 6.784 ( 2.886 0.000 0.505) 2.930 6.852 ( -0.584 0.000 5.129) 5.162 7.107 ( 0.982 0.000 -0.513) 1.108 7.258 ( 7.536 0.000 -0.050) 7.536 7.393 ( -4.449 0.000 1.043) 4.570 7.893 ( 2.175 0.000 0.346) 2.202 7.936 ( -1.217 0.000 0.849) 1.484 7.987 ( 0.009 0.000 -0.074) 0.074 8.037 ( 2.481 0.000 -1.581) 2.942 8.800 ( 0.602 0.000 2.846) 2.909 8.968 ( 1.455 0.000 -2.002) 2.475 8.990 ( -0.546 0.000 -1.179) 1.299 9.065 ( -1.786 0.000 -3.210) 3.673 9.345 ( -15.047 0.000 4.906) 15.826 9.532 ( -8.117 0.000 0.352) 8.124 9.572 ( 3.815 0.000 -1.392) 4.061 9.644 ( 6.837 0.000 -2.930) 7.438 10.476 ( 3.501 0.000 -0.098) 3.503 10.514 ( -3.274 0.000 -1.074) 3.445 10.539 ( 3.787 0.000 0.931) 3.899 10.593 ( -3.213 0.000 -0.682) 3.285 ======================= Grid point 86 (41/87) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 6.081 0.000 8.796) 10.694 0.661 ( 7.287 0.000 5.577) 9.176 0.729 ( 10.030 0.000 4.605) 11.037 0.853 ( 15.477 0.000 -0.128) 15.477 0.858 ( 16.976 0.000 -3.863) 17.410 0.958 ( 0.252 0.000 3.409) 3.419 0.981 ( 2.720 0.000 -2.513) 3.703 1.001 ( 13.254 0.000 -0.543) 13.265 1.058 ( 3.450 0.000 2.490) 4.255 1.106 ( 0.577 0.000 -2.010) 2.092 1.178 ( 2.673 0.000 8.374) 8.790 1.204 ( 1.542 0.000 -2.343) 2.805 1.289 ( 5.330 0.000 3.176) 6.205 1.357 ( 1.714 0.000 -2.369) 2.924 1.453 ( 2.087 0.000 2.502) 3.258 1.567 ( 7.131 0.000 1.115) 7.217 1.575 ( 4.109 0.000 -0.194) 4.113 1.619 ( 1.690 0.000 2.250) 2.813 1.682 ( 0.892 0.000 -3.255) 3.375 1.711 ( -1.599 0.000 -0.834) 1.803 1.906 ( 0.779 0.000 0.997) 1.265 1.927 ( -0.230 0.000 2.937) 2.946 1.953 ( 1.583 0.000 4.693) 4.952 2.160 ( 1.322 0.000 4.702) 4.884 2.315 ( 2.187 0.000 1.411) 2.603 2.435 ( 0.483 0.000 -0.905) 1.026 2.437 ( 0.037 0.000 1.436) 1.437 2.656 ( 1.102 0.000 -5.024) 5.143 2.965 ( 1.705 0.000 1.548) 2.303 3.027 ( 3.566 0.000 -3.681) 5.125 3.033 ( 0.914 0.000 0.023) 0.914 3.160 ( 5.657 0.000 1.608) 5.881 3.219 ( 4.679 0.000 -3.552) 5.875 3.375 ( 2.876 0.000 -3.388) 4.444 3.455 ( 3.161 0.000 -5.517) 6.358 3.470 ( 5.580 0.000 -2.860) 6.270 4.477 ( 5.672 0.000 4.187) 7.050 4.520 ( 23.664 0.000 -2.008) 23.749 4.740 ( 17.731 0.000 2.316) 17.881 4.780 ( 27.146 0.000 1.435) 27.184 4.920 ( 0.346 0.000 8.290) 8.297 5.148 ( 20.206 0.000 -3.703) 20.542 5.254 ( 1.643 0.000 -10.722) 10.847 5.688 ( 5.206 0.000 -7.215) 8.897 5.743 ( -9.096 0.000 1.867) 9.285 5.948 ( -4.336 0.000 -0.221) 4.341 6.098 ( -10.841 0.000 4.880) 11.889 6.119 ( -0.880 0.000 -1.058) 1.376 6.518 ( 4.862 0.000 -1.428) 5.068 6.587 ( -0.886 0.000 0.894) 1.259 6.705 ( 2.532 0.000 -2.832) 3.799 6.840 ( 2.234 0.000 2.326) 3.225 6.889 ( 3.334 0.000 7.233) 7.964 7.104 ( -1.592 0.000 -1.933) 2.504 7.303 ( -3.259 0.000 0.134) 3.261 7.359 ( 1.385 0.000 1.929) 2.374 7.913 ( 0.255 0.000 -0.259) 0.363 7.939 ( 1.871 0.000 1.090) 2.165 8.033 ( 2.058 0.000 -1.415) 2.498 8.098 ( 2.985 0.000 -0.981) 3.142 8.826 ( 1.636 0.000 3.153) 3.552 8.934 ( -1.456 0.000 -0.588) 1.570 8.968 ( -1.475 0.000 -1.354) 2.002 9.070 ( 1.918 0.000 -1.519) 2.446 9.197 ( 1.292 0.000 3.599) 3.823 9.394 ( -4.947 0.000 -1.845) 5.280 9.630 ( 1.024 0.000 1.042) 1.462 9.753 ( 2.874 0.000 0.476) 2.913 10.477 ( 0.137 0.000 -2.746) 2.750 10.525 ( 1.161 0.000 1.319) 1.757 10.558 ( 0.446 0.000 -2.404) 2.445 10.598 ( 1.296 0.000 1.514) 1.993 ======================= Grid point 87 (42/87) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 8.413 0.000 5.673) 10.147 0.835 ( 6.886 0.000 -0.457) 6.901 0.853 ( 4.892 0.000 7.449) 8.912 0.990 ( 2.856 0.000 2.254) 3.639 1.012 ( 2.679 0.000 -2.802) 3.877 1.071 ( 3.474 0.000 0.443) 3.502 1.083 ( 0.563 0.000 3.144) 3.194 1.136 ( 2.182 0.000 -1.789) 2.822 1.184 ( 7.368 0.000 -4.607) 8.689 1.241 ( 4.638 0.000 -0.395) 4.655 1.263 ( 4.780 0.000 -2.831) 5.555 1.303 ( 6.835 0.000 4.010) 7.925 1.326 ( 0.291 0.000 7.125) 7.131 1.471 ( 9.060 0.000 -2.238) 9.332 1.575 ( 4.592 0.000 0.933) 4.685 1.655 ( 2.046 0.000 3.118) 3.729 1.673 ( 0.770 0.000 -3.263) 3.352 1.693 ( 3.351 0.000 0.964) 3.487 1.746 ( 5.030 0.000 -3.632) 6.204 1.785 ( 12.746 0.000 0.972) 12.783 1.850 ( -2.711 0.000 0.305) 2.728 2.012 ( 5.558 0.000 2.967) 6.300 2.027 ( 6.324 0.000 1.729) 6.556 2.187 ( 0.896 0.000 5.173) 5.250 2.334 ( -0.260 0.000 3.736) 3.745 2.429 ( -0.891 0.000 3.849) 3.951 2.458 ( 1.903 0.000 -1.078) 2.187 2.673 ( 1.467 0.000 -4.540) 4.771 3.025 ( 1.895 0.000 -0.680) 2.013 3.054 ( 2.127 0.000 1.616) 2.671 3.127 ( 4.932 0.000 -5.334) 7.265 3.312 ( 8.026 0.000 1.588) 8.182 3.319 ( 4.294 0.000 -3.021) 5.250 3.472 ( 6.576 0.000 -3.571) 7.483 3.562 ( 6.820 0.000 -4.368) 8.099 3.578 ( 5.628 0.000 -0.188) 5.631 4.584 ( 2.752 0.000 5.577) 6.219 4.917 ( 2.222 0.000 5.419) 5.857 4.920 ( 9.572 0.000 -1.979) 9.775 5.134 ( 14.804 0.000 -3.595) 15.234 5.297 ( 0.894 0.000 -6.628) 6.688 5.436 ( 11.534 0.000 -1.587) 11.643 5.531 ( 3.855 0.000 1.624) 4.183 5.665 ( 19.508 0.000 -1.742) 19.585 5.775 ( -4.711 0.000 -0.488) 4.736 5.949 ( 5.641 0.000 6.691) 8.751 5.959 ( 15.062 0.000 -4.419) 15.697 6.205 ( 9.716 0.000 -2.064) 9.933 6.596 ( 3.007 0.000 -1.984) 3.602 6.604 ( 2.254 0.000 2.746) 3.553 6.760 ( 2.087 0.000 -4.107) 4.606 6.893 ( 3.149 0.000 4.381) 5.395 6.970 ( 3.645 0.000 6.776) 7.694 7.031 ( -4.232 0.000 -0.651) 4.282 7.290 ( 2.591 0.000 1.210) 2.860 7.367 ( 0.112 0.000 3.989) 3.991 7.956 ( 3.465 0.000 -1.360) 3.723 7.972 ( 1.302 0.000 1.118) 1.716 8.058 ( 1.138 0.000 0.139) 1.146 8.155 ( 2.504 0.000 -0.449) 2.544 8.864 ( 1.649 0.000 3.826) 4.166 8.927 ( -2.375 0.000 -1.233) 2.676 8.954 ( 1.111 0.000 -5.700) 5.807 9.119 ( 3.330 0.000 1.314) 3.580 9.291 ( 3.245 0.000 1.873) 3.747 9.349 ( 3.803 0.000 -7.251) 8.188 9.606 ( -3.032 0.000 2.690) 4.053 9.761 ( -1.912 0.000 2.723) 3.328 10.515 ( 3.231 0.000 -3.746) 4.947 10.527 ( -0.949 0.000 2.631) 2.797 10.600 ( -0.900 0.000 3.132) 3.259 10.613 ( 4.252 0.000 -4.035) 5.862 ======================= Grid point 88 (43/87) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 5.769 0.000 2.243) 6.190 0.911 ( 1.567 0.000 -0.233) 1.585 0.929 ( 1.250 0.000 6.142) 6.268 1.040 ( 0.284 0.000 -1.556) 1.582 1.082 ( 3.918 0.000 5.006) 6.357 1.102 ( 1.715 0.000 0.918) 1.945 1.135 ( 2.075 0.000 0.292) 2.095 1.173 ( 1.976 0.000 -2.712) 3.355 1.230 ( -0.311 0.000 -0.912) 0.963 1.279 ( 1.592 0.000 -0.521) 1.675 1.309 ( -0.533 0.000 3.282) 3.325 1.333 ( 0.565 0.000 -1.345) 1.459 1.433 ( 3.272 0.000 2.094) 3.885 1.593 ( -1.144 0.000 1.505) 1.890 1.610 ( 1.771 0.000 -2.785) 3.300 1.669 ( 1.132 0.000 -1.802) 2.128 1.738 ( 3.988 0.000 1.378) 4.219 1.745 ( 1.320 0.000 1.214) 1.793 1.801 ( 1.197 0.000 -3.500) 3.699 1.829 ( 0.908 0.000 -1.091) 1.419 2.056 ( 10.537 0.000 0.096) 10.537 2.127 ( 3.053 0.000 2.200) 3.763 2.185 ( -1.166 0.000 4.261) 4.418 2.208 ( 7.961 0.000 -0.474) 7.975 2.329 ( 0.133 0.000 6.069) 6.071 2.419 ( 0.077 0.000 5.600) 5.601 2.527 ( 4.876 0.000 -1.433) 5.083 2.714 ( 1.988 0.000 -4.103) 4.559 3.044 ( 0.782 0.000 -0.006) 0.782 3.111 ( 2.242 0.000 1.208) 2.547 3.206 ( 2.663 0.000 -5.543) 6.149 3.387 ( 2.220 0.000 -2.185) 3.115 3.475 ( 6.682 0.000 0.939) 6.748 3.626 ( 6.848 0.000 -4.374) 8.126 3.709 ( 5.863 0.000 1.016) 5.951 3.725 ( 7.981 0.000 -2.468) 8.354 4.566 ( -3.721 0.000 6.434) 7.432 4.982 ( -0.977 0.000 1.070) 1.449 5.042 ( 8.187 0.000 4.855) 9.518 5.223 ( -4.458 0.000 -10.754) 11.642 5.255 ( -8.989 0.000 0.502) 9.003 5.319 ( 2.916 0.000 -1.706) 3.378 5.469 ( -9.476 0.000 0.595) 9.495 5.672 ( -3.513 0.000 -3.489) 4.951 6.183 ( 18.845 0.000 0.445) 18.850 6.255 ( 7.525 0.000 -3.438) 8.273 6.341 ( 19.041 0.000 1.950) 19.140 6.456 ( 11.346 0.000 2.671) 11.656 6.666 ( 4.155 0.000 -2.739) 4.977 6.684 ( 4.310 0.000 3.897) 5.811 6.771 ( -0.921 0.000 -2.706) 2.858 6.909 ( -2.955 0.000 3.991) 4.966 7.036 ( 4.908 0.000 -1.580) 5.156 7.049 ( 3.619 0.000 4.972) 6.149 7.389 ( 2.412 0.000 4.223) 4.863 7.394 ( 5.534 0.000 3.152) 6.368 7.999 ( 1.285 0.000 0.197) 1.301 8.035 ( 3.414 0.000 -1.691) 3.810 8.095 ( 2.285 0.000 0.489) 2.337 8.204 ( 2.022 0.000 -0.562) 2.099 8.862 ( -3.253 0.000 -0.116) 3.255 8.896 ( 0.792 0.000 3.997) 4.075 8.951 ( -0.692 0.000 -5.339) 5.384 9.160 ( -0.322 0.000 1.703) 1.733 9.375 ( 6.966 0.000 -5.701) 9.002 9.505 ( 8.240 0.000 -3.044) 8.784 9.525 ( -4.277 0.000 1.827) 4.651 9.693 ( -4.117 0.000 2.882) 5.025 10.490 ( -2.637 0.000 3.485) 4.370 10.571 ( -1.823 0.000 4.139) 4.522 10.591 ( 3.678 0.000 -3.607) 5.151 10.704 ( 3.936 0.000 -4.009) 5.618 ======================= Grid point 89 (44/87) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.168 0.000 2.963) 2.968 0.936 ( -0.348 0.000 3.299) 3.317 0.965 ( 0.384 0.000 -0.343) 0.515 1.038 ( -0.445 0.000 0.626) 0.768 1.108 ( 0.445 0.000 -1.328) 1.400 1.128 ( -1.983 0.000 4.755) 5.152 1.131 ( -1.008 0.000 -0.234) 1.035 1.235 ( 2.755 0.000 -2.867) 3.976 1.252 ( 2.939 0.000 1.994) 3.552 1.287 ( -2.007 0.000 1.645) 2.595 1.306 ( -0.239 0.000 1.020) 1.047 1.318 ( -0.442 0.000 -1.903) 1.954 1.452 ( -1.353 0.000 1.649) 2.133 1.576 ( 0.159 0.000 1.340) 1.350 1.592 ( -1.381 0.000 -2.647) 2.985 1.688 ( -0.297 0.000 0.359) 0.466 1.772 ( -0.737 0.000 -1.283) 1.480 1.795 ( 3.483 0.000 -2.063) 4.048 1.839 ( 2.458 0.000 -1.889) 3.101 1.842 ( -0.787 0.000 -0.837) 1.149 2.084 ( -4.543 0.000 3.002) 5.445 2.187 ( -0.015 0.000 1.675) 1.675 2.202 ( 2.504 0.000 0.596) 2.573 2.289 ( 0.270 0.000 0.983) 1.019 2.333 ( -0.952 0.000 6.873) 6.938 2.422 ( -0.359 0.000 5.606) 5.617 2.637 ( 4.125 0.000 -2.498) 4.822 2.730 ( -0.613 0.000 -3.253) 3.310 3.057 ( 0.151 0.000 0.412) 0.439 3.138 ( 0.232 0.000 0.466) 0.521 3.237 ( 0.487 0.000 -5.679) 5.700 3.409 ( -0.168 0.000 -1.630) 1.638 3.557 ( 0.237 0.000 0.464) 0.521 3.714 ( 0.952 0.000 -4.307) 4.411 3.772 ( -1.220 0.000 0.987) 1.570 3.845 ( 2.138 0.000 -1.831) 2.815 4.485 ( -3.155 0.000 6.853) 7.545 4.980 ( 2.505 0.000 3.638) 4.417 5.123 ( -0.104 0.000 2.405) 2.407 5.145 ( -0.823 0.000 -8.069) 8.110 5.233 ( 1.214 0.000 4.857) 5.006 5.328 ( 2.356 0.000 -1.220) 2.653 5.357 ( 1.082 0.000 -5.519) 5.624 5.617 ( -1.694 0.000 -5.663) 5.910 6.324 ( 1.015 0.000 -0.120) 1.022 6.359 ( -0.472 0.000 -1.951) 2.008 6.588 ( 0.160 0.000 2.731) 2.736 6.611 ( 5.685 0.000 1.347) 5.842 6.706 ( -3.350 0.000 1.661) 3.739 6.709 ( -2.872 0.000 2.134) 3.578 6.768 ( 2.138 0.000 -2.498) 3.288 6.850 ( -2.319 0.000 3.144) 3.907 7.073 ( -2.526 0.000 -1.193) 2.793 7.102 ( 0.427 0.000 3.212) 3.241 7.447 ( 0.968 0.000 3.272) 3.412 7.462 ( 0.216 0.000 4.625) 4.630 8.011 ( -0.720 0.000 -0.877) 1.134 8.077 ( 0.466 0.000 -1.544) 1.613 8.140 ( 1.332 0.000 0.914) 1.616 8.224 ( -0.842 0.000 -1.063) 1.356 8.793 ( -2.558 0.000 0.275) 2.573 8.919 ( 1.416 0.000 4.632) 4.843 8.940 ( 0.115 0.000 -4.495) 4.497 9.133 ( -1.702 0.000 -0.190) 1.712 9.439 ( -3.644 0.000 -0.507) 3.679 9.543 ( 8.116 0.000 -4.713) 9.385 9.603 ( -4.238 0.000 1.533) 4.506 9.664 ( 6.614 0.000 -1.429) 6.767 10.422 ( -3.713 0.000 3.624) 5.188 10.529 ( -2.234 0.000 4.096) 4.666 10.654 ( 2.122 0.000 -2.797) 3.511 10.763 ( 1.745 0.000 -3.336) 3.765 ======================= Grid point 90 (45/87) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.696 0.000 5.093) 5.763 0.915 ( -4.687 0.000 1.035) 4.800 0.931 ( -0.260 0.000 1.646) 1.666 1.023 ( -1.161 0.000 1.063) 1.574 1.060 ( -3.565 0.000 2.450) 4.326 1.107 ( -1.485 0.000 -0.430) 1.546 1.119 ( -0.091 0.000 -1.655) 1.657 1.217 ( -2.953 0.000 0.795) 3.058 1.234 ( -4.098 0.000 -1.769) 4.464 1.289 ( 0.708 0.000 -2.306) 2.412 1.305 ( -0.032 0.000 0.614) 0.615 1.320 ( -0.561 0.000 1.481) 1.584 1.404 ( -2.476 0.000 2.027) 3.200 1.574 ( -1.221 0.000 -2.604) 2.876 1.601 ( 1.823 0.000 3.032) 3.537 1.660 ( -1.890 0.000 0.383) 1.929 1.729 ( -3.170 0.000 -2.312) 3.924 1.780 ( -3.922 0.000 -0.002) 3.922 1.844 ( -1.230 0.000 -2.602) 2.878 1.866 ( -0.581 0.000 -1.444) 1.557 2.021 ( 0.310 0.000 1.138) 1.180 2.123 ( -9.373 0.000 5.054) 10.649 2.157 ( -3.390 0.000 -0.757) 3.474 2.271 ( -2.318 0.000 0.866) 2.474 2.278 ( -4.032 0.000 7.411) 8.436 2.418 ( 0.391 0.000 4.399) 4.417 2.649 ( -2.733 0.000 0.634) 2.805 2.709 ( -0.672 0.000 -5.096) 5.140 3.048 ( -0.886 0.000 0.295) 0.934 3.122 ( -1.672 0.000 -0.402) 1.719 3.225 ( -1.350 0.000 -5.808) 5.963 3.376 ( -2.962 0.000 -1.746) 3.439 3.486 ( -6.217 0.000 0.724) 6.259 3.649 ( -9.444 0.000 0.880) 9.485 3.660 ( -5.221 0.000 -4.149) 6.669 3.804 ( -5.060 0.000 -2.157) 5.500 4.454 ( -0.396 0.000 7.909) 7.919 5.090 ( -4.547 0.000 1.265) 4.720 5.099 ( 7.189 0.000 3.565) 8.025 5.185 ( 2.982 0.000 -8.790) 9.282 5.284 ( 8.576 0.000 1.028) 8.638 5.357 ( -0.987 0.000 -5.222) 5.314 5.526 ( 10.662 0.000 1.800) 10.813 5.599 ( 0.004 0.000 -5.365) 5.365 6.194 ( -15.807 0.000 -1.210) 15.853 6.275 ( -9.270 0.000 -1.532) 9.396 6.445 ( -12.750 0.000 0.370) 12.755 6.457 ( -18.194 0.000 2.775) 18.404 6.592 ( -5.315 0.000 0.792) 5.373 6.684 ( -1.120 0.000 4.011) 4.165 6.756 ( -2.764 0.000 -2.676) 3.847 6.838 ( 1.033 0.000 3.968) 4.101 6.955 ( -6.672 0.000 0.447) 6.687 7.062 ( -3.530 0.000 2.057) 4.086 7.399 ( -4.854 0.000 1.760) 5.164 7.446 ( -0.393 0.000 4.842) 4.858 7.963 ( -3.311 0.000 -0.778) 3.401 8.058 ( -1.912 0.000 -0.243) 1.928 8.144 ( -0.788 0.000 0.603) 0.992 8.156 ( -4.963 0.000 -1.379) 5.151 8.772 ( 0.307 0.000 0.923) 0.973 8.949 ( 0.493 0.000 -3.279) 3.315 8.957 ( 1.753 0.000 3.820) 4.203 9.101 ( -1.152 0.000 -1.249) 1.699 9.381 ( -1.386 0.000 -2.975) 3.282 9.525 ( -2.990 0.000 -0.691) 3.068 9.684 ( 4.674 0.000 -2.799) 5.449 9.778 ( 4.013 0.000 0.325) 4.026 10.347 ( -3.036 0.000 2.713) 4.072 10.484 ( -1.983 0.000 2.707) 3.355 10.676 ( 0.039 0.000 -1.777) 1.777 10.774 ( -0.573 0.000 -2.456) 2.522 ======================= Grid point 91 (46/87) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -6.765 0.000 4.773) 8.279 0.798 ( -7.601 0.000 6.532) 10.023 0.894 ( -4.418 0.000 1.410) 4.638 0.972 ( -4.200 0.000 -0.773) 4.270 0.992 ( -2.349 0.000 3.252) 4.011 1.050 ( -2.231 0.000 0.177) 2.238 1.110 ( -3.368 0.000 -1.670) 3.759 1.122 ( -3.877 0.000 -2.557) 4.645 1.198 ( 0.516 0.000 -0.417) 0.663 1.225 ( -7.891 0.000 -2.808) 8.376 1.243 ( -6.704 0.000 0.964) 6.773 1.304 ( -0.765 0.000 -1.771) 1.929 1.336 ( -4.738 0.000 1.582) 4.995 1.488 ( -4.855 0.000 -0.111) 4.856 1.607 ( -5.781 0.000 -0.052) 5.782 1.622 ( -3.495 0.000 3.253) 4.775 1.656 ( -1.085 0.000 -0.520) 1.203 1.710 ( -2.503 0.000 -1.098) 2.734 1.786 ( -0.646 0.000 -2.709) 2.785 1.788 ( -6.872 0.000 -0.136) 6.874 1.878 ( -11.188 0.000 9.249) 14.516 2.043 ( -3.342 0.000 -1.342) 3.601 2.083 ( 0.735 0.000 0.416) 0.845 2.180 ( -5.865 0.000 3.539) 6.850 2.214 ( -1.146 0.000 5.823) 5.934 2.445 ( 1.511 0.000 2.255) 2.714 2.589 ( -2.418 0.000 -0.739) 2.528 2.675 ( -2.378 0.000 -4.996) 5.533 3.031 ( -0.418 0.000 0.458) 0.620 3.075 ( -2.554 0.000 -0.791) 2.674 3.180 ( -2.636 0.000 -5.147) 5.783 3.285 ( -5.306 0.000 -2.343) 5.800 3.334 ( -7.457 0.000 1.862) 7.686 3.426 ( -10.532 0.000 0.563) 10.547 3.528 ( -6.413 0.000 -4.304) 7.723 3.671 ( -6.728 0.000 -2.328) 7.120 4.450 ( -0.659 0.000 8.504) 8.530 4.988 ( -5.194 0.000 -2.208) 5.644 5.103 ( -13.300 0.000 -7.730) 15.383 5.168 ( -7.685 0.000 5.588) 9.502 5.319 ( -2.561 0.000 -4.218) 4.935 5.441 ( -2.616 0.000 -0.900) 2.766 5.574 ( -2.095 0.000 -8.145) 8.410 5.605 ( -16.248 0.000 0.623) 16.260 5.752 ( -13.712 0.000 6.427) 15.143 5.946 ( -12.606 0.000 -5.846) 13.895 6.044 ( -8.136 0.000 1.656) 8.303 6.194 ( -6.171 0.000 -2.172) 6.542 6.583 ( 2.730 0.000 2.256) 3.542 6.622 ( -4.665 0.000 3.930) 6.099 6.699 ( -1.964 0.000 -0.388) 2.002 6.839 ( -4.475 0.000 1.646) 4.768 6.887 ( 3.609 0.000 3.360) 4.931 6.987 ( -3.628 0.000 1.760) 4.032 7.288 ( -5.005 0.000 0.050) 5.005 7.460 ( 0.927 0.000 4.190) 4.291 7.896 ( -2.592 0.000 -0.684) 2.681 8.010 ( -2.497 0.000 1.070) 2.717 8.053 ( -3.891 0.000 -1.575) 4.197 8.110 ( -2.532 0.000 0.504) 2.582 8.787 ( 0.670 0.000 1.564) 1.702 8.947 ( -0.493 0.000 -1.987) 2.047 8.985 ( 0.723 0.000 1.997) 2.123 9.087 ( -0.094 0.000 -2.357) 2.359 9.393 ( 2.735 0.000 -4.122) 4.946 9.485 ( -0.458 0.000 -2.975) 3.010 9.714 ( -1.955 0.000 -0.255) 1.972 9.822 ( -0.419 0.000 0.960) 1.047 10.321 ( 0.962 0.000 0.815) 1.261 10.456 ( -0.495 0.000 0.749) 0.897 10.654 ( -2.010 0.000 -0.843) 2.180 10.740 ( -2.525 0.000 -1.431) 2.902 ======================= Grid point 92 (47/87) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -17.367 0.000 6.679) 18.607 0.639 ( -8.483 0.000 6.842) 10.899 0.766 ( -7.162 0.000 5.030) 8.752 0.827 ( -9.592 0.000 -2.424) 9.894 0.895 ( -14.279 0.000 -0.143) 14.280 0.956 ( -11.029 0.000 2.120) 11.231 0.972 ( -2.697 0.000 1.395) 3.036 1.023 ( -2.183 0.000 -2.455) 3.285 1.035 ( -4.386 0.000 -0.909) 4.479 1.138 ( -1.477 0.000 -1.588) 2.169 1.220 ( 0.292 0.000 -0.350) 0.456 1.228 ( -3.856 0.000 1.457) 4.123 1.263 ( -2.852 0.000 -0.941) 3.003 1.444 ( -5.259 0.000 -2.112) 5.667 1.458 ( -0.123 0.000 1.159) 1.165 1.464 ( -8.282 0.000 8.185) 11.644 1.593 ( -4.499 0.000 -3.451) 5.670 1.652 ( -2.051 0.000 -2.726) 3.411 1.680 ( -4.165 0.000 8.307) 9.293 1.763 ( 0.163 0.000 4.472) 4.475 1.840 ( 4.004 0.000 -2.607) 4.778 1.962 ( -3.176 0.000 2.050) 3.780 2.048 ( -6.335 0.000 4.232) 7.618 2.115 ( 1.350 0.000 0.820) 1.579 2.226 ( 1.263 0.000 2.394) 2.706 2.461 ( -0.361 0.000 1.077) 1.136 2.528 ( -3.866 0.000 -1.409) 4.115 2.619 ( -2.083 0.000 -6.196) 6.537 3.021 ( -2.338 0.000 0.273) 2.354 3.042 ( 1.278 0.000 -0.150) 1.287 3.106 ( -4.508 0.000 -2.551) 5.180 3.175 ( -3.787 0.000 -3.984) 5.497 3.191 ( -6.543 0.000 1.693) 6.759 3.246 ( -4.537 0.000 2.214) 5.048 3.409 ( -4.341 0.000 -4.374) 6.162 3.534 ( -5.908 0.000 -2.947) 6.602 4.416 ( -3.465 0.000 6.881) 7.704 4.600 ( -27.290 0.000 -0.005) 27.290 4.790 ( -19.587 0.000 2.839) 19.792 4.816 ( -11.681 0.000 -7.162) 13.702 4.960 ( -26.260 0.000 1.714) 26.316 5.155 ( -12.682 0.000 9.338) 15.749 5.276 ( -1.477 0.000 -10.235) 10.341 5.580 ( 1.970 0.000 -11.342) 11.512 5.812 ( 6.399 0.000 1.754) 6.635 5.888 ( 3.561 0.000 -2.996) 4.653 6.145 ( 9.036 0.000 0.147) 9.037 6.189 ( 2.060 0.000 -0.708) 2.178 6.504 ( -6.244 0.000 3.623) 7.219 6.650 ( 2.322 0.000 0.112) 2.325 6.673 ( -0.620 0.000 1.820) 1.923 6.761 ( -2.246 0.000 0.847) 2.400 6.905 ( -3.892 0.000 2.387) 4.565 7.004 ( 7.181 0.000 3.648) 8.055 7.202 ( -2.480 0.000 -0.839) 2.618 7.461 ( -1.532 0.000 2.993) 3.362 7.865 ( -0.008 0.000 -0.618) 0.618 7.961 ( -1.922 0.000 1.664) 2.542 8.009 ( -0.133 0.000 -1.709) 1.715 8.042 ( -3.600 0.000 0.568) 3.645 8.794 ( 0.066 0.000 2.447) 2.448 8.942 ( 0.427 0.000 -1.735) 1.787 8.994 ( 0.146 0.000 -0.177) 0.229 9.086 ( -0.222 0.000 -3.123) 3.131 9.486 ( 5.157 0.000 -2.398) 5.687 9.512 ( 3.783 0.000 -5.092) 6.343 9.608 ( -8.029 0.000 0.819) 8.070 9.732 ( -8.528 0.000 -0.404) 8.538 10.384 ( 4.431 0.000 0.049) 4.431 10.472 ( 2.073 0.000 0.377) 2.107 10.593 ( -3.623 0.000 -0.420) 3.648 10.671 ( -3.741 0.000 -0.571) 3.784 ======================= Grid point 93 (48/87) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 5.578 -0.851 0.948) 5.722 0.364 ( 0.514 -3.553 4.007) 5.380 0.616 ( 0.870 -1.404 3.881) 4.218 0.694 ( -0.629 -0.049 3.798) 3.850 0.700 ( -5.483 -2.510 1.998) 6.352 0.752 ( 2.683 -4.769 -1.381) 5.643 0.917 ( -0.221 -0.255 0.192) 0.389 0.997 ( 1.982 1.792 0.454) 2.710 1.049 ( -0.891 -4.052 0.510) 4.180 1.084 ( -0.631 2.551 -1.245) 2.908 1.198 ( -1.067 2.065 3.970) 4.601 1.227 ( -0.971 2.317 -0.672) 2.600 1.269 ( -2.107 4.249 3.647) 5.983 1.333 ( -1.240 -1.855 -2.205) 3.137 1.444 ( 2.674 2.016 3.570) 4.895 1.522 ( -0.488 0.637 0.627) 1.018 1.536 ( -2.507 2.851 1.718) 4.167 1.642 ( -0.204 3.206 2.583) 4.122 1.677 ( -0.965 0.401 0.181) 1.061 1.752 ( 0.487 1.120 2.396) 2.689 1.883 ( 1.382 -1.154 -0.095) 1.803 1.957 ( -2.387 0.554 4.490) 5.115 1.977 ( -0.365 1.744 0.127) 1.786 2.065 ( 0.783 -5.796 3.817) 6.984 2.289 ( 2.018 2.817 0.540) 3.507 2.410 ( 0.371 -2.415 0.592) 2.514 2.495 ( -2.176 3.411 -1.820) 4.436 2.602 ( 0.708 -1.142 -5.374) 5.540 2.961 ( -1.677 -1.609 2.593) 3.481 2.995 ( -0.367 -2.407 0.175) 2.441 3.030 ( -1.795 0.946 -1.114) 2.315 3.086 ( 0.769 -1.209 -0.571) 1.543 3.149 ( 0.571 0.193 -2.730) 2.796 3.222 ( 1.991 -4.046 0.565) 4.544 3.408 ( 0.730 2.919 -3.323) 4.483 3.461 ( -0.464 0.826 -4.478) 4.577 4.259 ( -1.090 2.150 0.762) 2.529 4.399 ( -0.561 -2.025 0.537) 2.169 4.567 ( -1.580 5.969 -0.383) 6.187 4.656 ( -4.993 4.368 1.137) 6.731 4.807 ( 7.002 5.299 -0.550) 8.798 5.050 ( -1.274 1.917 2.853) 3.665 5.192 ( -1.603 -4.423 -8.231) 9.481 5.486 ( -0.424 -11.258 -7.026) 13.277 5.957 ( -1.810 3.482 0.416) 3.946 5.996 ( 3.369 5.752 -2.085) 6.984 6.072 ( -2.413 -5.295 2.913) 6.507 6.271 ( 2.942 -2.805 -1.190) 4.235 6.493 ( -2.184 4.591 0.531) 5.112 6.598 ( -1.483 -2.363 -0.577) 2.849 6.704 ( -1.456 2.196 0.063) 2.636 6.774 ( 0.626 -0.989 0.179) 1.184 6.899 ( 1.597 4.636 4.855) 6.900 7.083 ( 1.501 -2.374 0.247) 2.820 7.264 ( 5.197 1.000 1.828) 5.599 7.373 ( -2.417 -2.328 1.066) 3.521 7.898 ( 1.864 0.926 0.855) 2.250 7.945 ( -1.273 0.737 0.037) 1.471 7.975 ( -0.111 -1.071 0.092) 1.081 8.013 ( 1.418 -2.076 -1.668) 3.017 8.844 ( 2.392 3.622 0.459) 4.364 8.971 ( 3.358 -0.597 -1.924) 3.916 8.983 ( -1.516 0.011 -1.937) 2.460 9.049 ( -1.912 -1.485 -3.052) 3.896 9.362 ( -12.494 1.995 4.219) 13.337 9.495 ( -6.864 -2.946 1.161) 7.559 9.595 ( 2.712 1.600 -1.494) 3.485 9.646 ( 5.365 -0.178 -2.567) 5.950 10.478 ( 3.263 0.283 0.043) 3.276 10.508 ( 0.767 -0.757 -0.410) 1.153 10.545 ( -0.392 0.785 0.338) 0.940 10.586 ( -3.121 -0.733 -0.638) 3.269 ======================= Grid point 94 (49/87) ======================= q-point: ( 0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 6.759 -3.355 7.790) 10.846 0.658 ( 7.574 -3.775 -0.753) 8.496 0.744 ( 13.942 -1.423 1.387) 14.083 0.787 ( 6.972 -0.117 1.944) 7.239 0.866 ( 15.280 -0.783 -0.333) 15.303 0.928 ( 12.459 -4.265 0.956) 13.203 0.964 ( 3.751 0.609 1.834) 4.220 1.041 ( 1.828 -2.624 0.733) 3.281 1.105 ( 4.055 7.485 -1.257) 8.605 1.117 ( 6.670 1.052 0.597) 6.779 1.172 ( 0.339 0.389 3.073) 3.116 1.235 ( 1.591 1.959 -1.182) 2.787 1.308 ( 4.321 1.703 2.703) 5.373 1.355 ( 3.360 0.251 -1.144) 3.558 1.481 ( 1.777 2.518 1.982) 3.664 1.527 ( 3.952 -1.341 1.698) 4.505 1.577 ( 4.078 -0.878 0.862) 4.260 1.641 ( -1.561 -3.143 0.468) 3.540 1.672 ( 2.773 4.809 2.494) 6.086 1.773 ( 1.616 3.991 -0.447) 4.328 1.901 ( -0.198 -0.345 0.373) 0.545 1.946 ( 0.170 -1.034 2.976) 3.155 1.965 ( 1.137 2.207 2.665) 3.642 2.108 ( 2.331 -4.262 4.523) 6.638 2.334 ( 1.603 1.979 1.126) 2.785 2.423 ( 0.532 -1.365 1.460) 2.068 2.481 ( 0.199 3.584 -1.213) 3.789 2.624 ( 0.822 -2.905 -4.710) 5.594 2.942 ( 0.887 -0.862 2.369) 2.673 2.994 ( 0.953 -1.911 0.124) 2.139 3.088 ( 5.235 2.937 -3.052) 6.734 3.159 ( 5.961 -0.118 0.994) 6.044 3.215 ( 4.854 -0.363 -3.469) 5.977 3.305 ( 5.276 -5.930 -0.877) 7.986 3.438 ( 2.365 2.226 -3.548) 4.810 3.509 ( 3.943 0.351 -3.876) 5.540 4.534 ( 22.970 1.654 -1.426) 23.074 4.622 ( 5.148 11.075 -0.007) 12.213 4.671 ( 22.535 -4.191 1.680) 22.982 4.835 ( 20.250 2.007 0.737) 20.362 4.968 ( -0.022 5.348 6.748) 8.610 5.134 ( 16.034 -0.782 -4.412) 16.649 5.223 ( 7.722 -2.706 -7.292) 10.960 5.482 ( 0.472 -13.791 -3.276) 14.182 5.858 ( -6.132 4.326 -0.574) 7.526 5.941 ( -7.548 -1.435 1.490) 7.826 6.039 ( -0.865 1.936 -0.833) 2.278 6.201 ( -6.307 0.993 -0.264) 6.390 6.524 ( 3.276 0.762 -0.759) 3.448 6.573 ( -0.255 -1.108 1.030) 1.534 6.719 ( 2.391 1.316 -2.227) 3.522 6.804 ( 2.628 -2.430 1.422) 3.851 6.946 ( 1.846 4.344 6.240) 7.825 7.091 ( -1.143 -1.508 -0.419) 1.939 7.315 ( -1.578 0.814 0.715) 1.914 7.346 ( 1.310 -1.020 2.728) 3.194 7.927 ( 1.056 1.462 -0.559) 1.888 7.941 ( 1.414 0.328 0.788) 1.652 8.005 ( 1.825 -1.841 -0.166) 2.598 8.065 ( 2.955 -2.964 -1.196) 4.353 8.910 ( -0.884 4.960 -0.950) 5.127 8.930 ( 1.403 1.822 -1.739) 2.882 8.998 ( -1.107 0.868 -2.224) 2.632 9.070 ( 4.228 0.489 -1.620) 4.554 9.195 ( -1.369 0.455 4.043) 4.292 9.354 ( -5.465 -3.804 -0.566) 6.683 9.648 ( 1.030 1.747 1.124) 2.319 9.737 ( 2.315 -1.599 0.682) 2.895 10.489 ( 0.296 1.105 -2.731) 2.961 10.526 ( 1.026 -0.060 0.313) 1.074 10.555 ( 0.702 -0.143 -1.338) 1.518 10.584 ( 1.410 -1.169 1.725) 2.516 ======================= Grid point 95 (50/87) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 7.285 -4.294 6.304) 10.547 0.763 ( 3.297 -6.750 -1.217) 7.610 0.939 ( 6.277 -0.557 -0.445) 6.318 0.942 ( 3.137 -0.339 4.329) 5.357 0.978 ( 4.563 0.288 2.349) 5.140 1.069 ( 2.990 1.246 0.979) 3.384 1.130 ( 3.414 0.774 1.419) 3.777 1.167 ( 2.147 1.374 0.110) 2.552 1.172 ( 6.074 -0.916 -0.971) 6.219 1.222 ( 3.533 -0.938 -1.886) 4.113 1.279 ( 5.803 2.054 -1.288) 6.289 1.307 ( 3.770 0.013 0.874) 3.870 1.367 ( 2.561 3.953 3.034) 5.603 1.481 ( 7.808 1.103 -1.436) 8.015 1.577 ( 3.649 -1.610 -0.847) 4.077 1.613 ( 0.854 -3.613 2.439) 4.443 1.635 ( 3.980 -0.581 0.224) 4.028 1.695 ( 5.280 -0.169 1.540) 5.503 1.811 ( 4.197 4.555 -2.741) 6.773 1.826 ( 8.359 3.389 0.856) 9.060 1.875 ( -0.089 1.833 0.065) 1.837 1.992 ( 5.329 -1.483 1.723) 5.794 2.043 ( 5.819 1.109 3.453) 6.856 2.159 ( 2.383 -2.799 5.531) 6.641 2.344 ( -0.612 1.441 2.597) 3.033 2.420 ( -0.878 -0.983 3.599) 3.832 2.498 ( 1.724 3.257 -1.196) 3.874 2.643 ( 1.698 -2.806 -4.218) 5.343 2.993 ( 3.073 -2.228 1.433) 4.057 3.012 ( 0.720 -1.785 0.882) 2.117 3.203 ( 4.909 4.649 -4.953) 8.381 3.310 ( 6.451 -0.264 -1.225) 6.572 3.325 ( 6.252 0.572 -0.878) 6.339 3.444 ( 7.955 -4.804 -0.451) 9.304 3.519 ( 5.530 1.916 -3.527) 6.833 3.613 ( 6.224 -0.125 -3.056) 6.935 4.705 ( 1.492 10.789 3.397) 11.409 4.918 ( 5.749 0.747 0.993) 5.881 4.941 ( 5.218 1.089 1.616) 5.570 5.109 ( 10.867 -2.936 -6.866) 13.186 5.231 ( 9.366 -3.626 -0.091) 10.044 5.391 ( -1.850 -6.314 0.856) 6.635 5.579 ( 19.133 3.868 -1.588) 19.585 5.662 ( 19.808 -0.395 -1.163) 19.846 5.725 ( -6.401 -1.493 1.585) 6.761 5.911 ( 13.168 -4.548 -3.166) 14.287 6.020 ( 4.707 5.475 1.664) 7.410 6.195 ( 7.546 -1.517 -1.998) 7.952 6.582 ( 2.376 -0.824 -0.368) 2.542 6.594 ( 2.274 -0.936 1.600) 2.934 6.777 ( 2.437 1.762 -3.348) 4.501 6.889 ( 5.285 -2.007 1.418) 5.829 6.960 ( -1.135 1.329 6.403) 6.637 7.038 ( -2.281 -0.340 2.588) 3.466 7.321 ( 2.791 2.517 1.725) 4.135 7.374 ( 1.552 0.388 2.448) 2.924 7.972 ( 1.315 0.258 1.209) 1.805 7.976 ( 3.402 1.655 -2.023) 4.290 8.037 ( 1.549 -1.445 0.735) 2.242 8.125 ( 2.675 -2.900 -0.847) 4.035 8.872 ( -0.842 0.721 0.711) 1.317 8.924 ( -2.227 0.345 0.056) 2.254 9.031 ( 1.066 5.653 -4.922) 7.571 9.142 ( 3.748 2.589 1.837) 4.912 9.266 ( 1.589 -2.628 0.890) 3.197 9.306 ( 5.722 -3.937 -6.430) 9.465 9.627 ( -2.782 2.019 2.797) 4.432 9.737 ( -2.062 -2.223 2.796) 4.124 10.522 ( 1.749 0.605 -1.493) 2.378 10.534 ( 0.035 0.429 0.934) 1.029 10.595 ( 0.276 -0.308 1.933) 1.977 10.608 ( 3.791 -0.454 -3.347) 5.078 ======================= Grid point 96 (51/87) ======================= q-point: ( 0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.590 -5.838 4.509) 8.688 0.815 ( 1.683 -6.847 0.836) 7.100 0.970 ( 0.807 -0.936 2.529) 2.815 0.998 ( 1.659 -3.277 -0.179) 3.678 1.100 ( -0.215 0.949 1.505) 1.792 1.117 ( 4.410 1.646 1.397) 4.910 1.155 ( 0.663 2.008 2.128) 3.000 1.213 ( 2.287 2.066 -0.741) 3.169 1.243 ( 1.348 1.351 -1.907) 2.698 1.278 ( 1.984 -1.579 -1.044) 2.742 1.311 ( -0.047 1.915 2.666) 3.283 1.350 ( 0.373 0.645 0.592) 0.951 1.447 ( 2.737 1.640 0.391) 3.214 1.569 ( -1.269 -2.546 0.065) 2.846 1.604 ( 2.791 0.313 -1.651) 3.257 1.666 ( 0.993 -0.888 0.105) 1.337 1.715 ( 4.138 -0.068 0.850) 4.225 1.761 ( 1.847 -0.172 1.147) 2.181 1.837 ( 0.576 2.306 -3.514) 4.243 1.853 ( 0.574 2.024 -1.474) 2.569 2.083 ( 8.643 2.297 0.490) 8.956 2.120 ( 3.987 -0.450 2.061) 4.511 2.190 ( 3.353 0.120 4.018) 5.234 2.216 ( 5.516 0.907 0.743) 5.639 2.330 ( -0.056 0.380 5.025) 5.040 2.404 ( -0.436 -1.610 5.229) 5.488 2.560 ( 4.164 2.958 -1.578) 5.346 2.690 ( 2.330 -2.251 -3.731) 4.941 3.030 ( 0.938 -1.133 1.164) 1.876 3.053 ( 2.352 -3.189 1.046) 4.098 3.276 ( 2.210 4.518 -4.919) 7.035 3.386 ( 2.197 -0.453 -3.234) 3.936 3.487 ( 6.948 1.252 0.887) 7.115 3.620 ( 7.553 -4.866 0.410) 8.994 3.654 ( 6.430 2.473 -4.179) 8.057 3.757 ( 6.543 -0.284 -2.480) 7.003 4.665 ( -4.057 9.134 5.855) 11.584 4.980 ( -0.360 -0.901 1.984) 2.208 5.049 ( 6.355 0.696 3.442) 7.261 5.174 ( -2.837 -5.671 -8.738) 10.797 5.232 ( -6.754 -0.732 -0.503) 6.812 5.280 ( -1.625 -2.375 1.110) 3.084 5.530 ( -6.101 4.562 -1.666) 7.798 5.664 ( -3.846 -1.097 -2.703) 4.827 6.192 ( 18.325 0.954 -0.109) 18.350 6.249 ( 11.752 -0.699 -2.915) 12.128 6.318 ( 13.961 -1.366 1.108) 14.072 6.419 ( 11.343 -3.486 1.815) 12.004 6.641 ( 3.628 -0.638 -0.168) 3.688 6.683 ( 5.209 -1.084 1.568) 5.546 6.791 ( -1.146 2.065 -1.679) 2.898 6.900 ( -3.026 -1.415 2.959) 4.463 7.025 ( 5.710 -0.147 1.302) 5.859 7.051 ( 2.823 -0.189 5.256) 5.969 7.412 ( 4.295 2.289 2.942) 5.687 7.432 ( 4.265 2.265 1.092) 4.951 7.997 ( 1.045 0.220 0.647) 1.249 8.045 ( 2.485 0.009 -2.166) 3.296 8.086 ( 3.113 0.018 0.757) 3.204 8.179 ( 2.372 -2.348 -1.021) 3.490 8.855 ( -1.520 -0.696 0.012) 1.672 8.873 ( -1.870 -0.064 1.442) 2.362 9.027 ( -0.602 4.838 -2.363) 5.418 9.159 ( -1.457 -0.517 1.291) 2.014 9.367 ( 7.707 0.001 -4.993) 9.183 9.470 ( 7.205 -2.960 -3.277) 8.451 9.557 ( -2.773 2.543 1.963) 4.244 9.671 ( -3.815 -2.118 2.705) 5.134 10.497 ( -2.395 0.718 3.458) 4.267 10.545 ( -1.092 -1.503 2.802) 3.362 10.625 ( 2.858 2.145 -2.426) 4.319 10.694 ( 3.796 -0.928 -3.824) 5.468 ======================= Grid point 97 (52/87) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.525 -5.626 1.547) 5.858 0.838 ( 0.315 -5.861 3.423) 6.795 0.980 ( -0.145 -1.396 1.122) 1.797 1.031 ( 1.330 -3.344 -0.198) 3.604 1.074 ( -1.971 0.613 2.405) 3.169 1.122 ( -1.650 -1.056 1.530) 2.485 1.184 ( 0.222 3.849 0.943) 3.969 1.256 ( 1.623 0.510 -0.295) 1.726 1.271 ( 0.857 1.316 -0.123) 1.576 1.281 ( -1.192 0.392 -0.736) 1.455 1.324 ( 0.656 1.499 2.372) 2.882 1.343 ( -0.666 0.952 -0.295) 1.199 1.461 ( -1.093 1.191 0.671) 1.751 1.549 ( -0.305 -1.976 0.221) 2.012 1.615 ( -0.503 1.528 -0.552) 1.701 1.676 ( -0.395 -1.076 0.269) 1.177 1.790 ( 1.925 1.017 -1.940) 2.916 1.803 ( 2.609 0.601 -1.411) 3.026 1.850 ( -0.323 0.903 -1.981) 2.201 1.853 ( 0.006 0.971 -1.485) 1.774 2.104 ( -3.484 1.807 2.566) 4.689 2.160 ( 0.263 -1.393 1.085) 1.785 2.257 ( 0.624 3.384 3.115) 4.642 2.281 ( 0.653 0.719 1.391) 1.696 2.350 ( 0.317 0.505 4.793) 4.830 2.398 ( -0.860 -2.442 5.241) 5.846 2.647 ( 3.063 1.052 -2.296) 3.970 2.714 ( -0.204 -1.444 -3.026) 3.359 3.045 ( 0.176 -0.834 1.315) 1.567 3.086 ( 0.641 -3.221 0.345) 3.302 3.298 ( 0.032 4.175 -4.894) 6.433 3.407 ( -0.215 -0.575 -2.687) 2.756 3.574 ( 0.460 1.761 0.304) 1.845 3.714 ( 0.245 -4.158 0.456) 4.190 3.737 ( 0.669 2.042 -4.155) 4.678 3.840 ( 0.525 -1.360 -2.730) 3.095 4.589 ( -2.606 9.500 6.650) 11.886 4.994 ( 3.259 -0.836 3.427) 4.802 5.044 ( -2.984 -4.861 1.760) 5.969 5.127 ( -0.317 -1.878 -4.504) 4.890 5.239 ( 2.210 0.833 2.266) 3.273 5.295 ( 5.732 -1.426 -1.011) 5.993 5.442 ( -1.557 5.252 -4.769) 7.263 5.596 ( -2.126 -2.055 -5.010) 5.818 6.343 ( 1.823 1.955 -0.245) 2.684 6.378 ( -0.281 2.158 -1.251) 2.510 6.534 ( 4.408 -5.872 0.665) 7.373 6.555 ( 0.545 -4.290 1.008) 4.441 6.699 ( -1.563 0.695 2.247) 2.824 6.729 ( -1.620 0.225 1.620) 2.302 6.752 ( -0.926 0.186 -0.500) 1.069 6.847 ( -2.192 -1.231 1.851) 3.122 7.070 ( -1.428 0.520 2.069) 2.567 7.108 ( 0.318 -0.134 3.437) 3.454 7.467 ( -0.326 2.218 1.825) 2.891 7.498 ( 0.724 2.065 2.201) 3.104 8.005 ( -0.797 -0.088 -0.128) 0.812 8.068 ( -0.365 -1.502 -1.196) 1.955 8.143 ( 1.590 0.823 0.105) 1.793 8.208 ( -0.209 -1.435 -1.485) 2.075 8.807 ( -1.919 1.187 0.445) 2.300 8.863 ( 0.449 -2.143 1.367) 2.581 9.019 ( 0.067 4.093 -0.965) 4.206 9.123 ( -1.674 -1.073 -0.203) 1.999 9.448 ( -2.661 1.113 -0.444) 2.919 9.535 ( 3.085 -1.344 -3.048) 4.540 9.596 ( 0.751 0.115 0.242) 0.797 9.651 ( 5.904 -1.279 -1.483) 6.221 10.435 ( -3.443 1.216 3.658) 5.169 10.507 ( -2.288 -1.813 3.808) 4.798 10.679 ( 1.874 2.053 -2.653) 3.843 10.753 ( 1.728 -1.067 -3.212) 3.800 ======================= Grid point 98 (53/87) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -3.401 -5.020 3.030) 6.778 0.828 ( -1.306 -5.948 0.719) 6.132 0.967 ( -0.773 -1.207 1.090) 1.801 1.009 ( -3.701 2.479 3.606) 5.731 1.055 ( 0.096 -4.746 0.184) 4.750 1.078 ( -2.946 -0.960 2.004) 3.690 1.170 ( -1.647 4.590 0.108) 4.878 1.226 ( -3.222 1.639 0.068) 3.616 1.258 ( -1.640 0.546 -0.885) 1.942 1.275 ( -0.303 -0.608 -0.975) 1.189 1.328 ( -0.836 0.530 0.959) 1.378 1.338 ( 0.072 1.286 0.570) 1.409 1.425 ( -2.226 2.241 0.977) 3.306 1.553 ( 0.381 -2.485 -0.275) 2.529 1.604 ( -1.149 0.866 0.782) 1.638 1.640 ( -3.047 -0.984 0.531) 3.246 1.771 ( -2.427 2.599 -2.374) 4.276 1.800 ( -3.077 1.143 -0.392) 3.306 1.839 ( -1.181 -0.102 -2.111) 2.421 1.864 ( -0.477 -0.376 -1.627) 1.736 2.054 ( -0.213 2.963 0.135) 2.974 2.120 ( -5.405 -0.504 1.845) 5.733 2.178 ( -5.939 2.111 2.834) 6.911 2.265 ( -2.856 1.523 4.016) 5.158 2.315 ( -3.752 1.134 4.984) 6.340 2.376 ( -0.539 -3.914 3.793) 5.477 2.654 ( -2.093 0.556 -0.218) 2.176 2.698 ( -0.808 -1.043 -4.228) 4.429 3.035 ( -1.083 -0.810 1.099) 1.743 3.079 ( -1.234 -2.886 -0.298) 3.153 3.274 ( -2.059 3.479 -4.946) 6.388 3.371 ( -3.162 -0.744 -2.508) 4.104 3.505 ( -6.194 1.927 0.454) 6.502 3.619 ( -8.317 -2.576 0.544) 8.724 3.679 ( -5.255 1.759 -4.184) 6.943 3.780 ( -5.256 -2.232 -2.959) 6.431 4.566 ( -0.086 10.139 6.568) 12.081 5.012 ( -1.255 -7.183 -1.916) 7.539 5.124 ( 7.212 0.542 3.960) 8.245 5.185 ( 4.125 -0.177 -3.231) 5.243 5.240 ( -0.270 0.969 -0.119) 1.013 5.443 ( 4.791 -4.024 -0.019) 6.257 5.470 ( 3.387 4.239 -4.280) 6.911 5.606 ( 5.094 -0.455 -3.660) 6.289 6.212 ( -16.107 2.046 -1.399) 16.296 6.298 ( -10.670 1.788 -2.048) 11.011 6.403 ( -12.477 -2.622 0.213) 12.751 6.474 ( -16.550 -0.514 0.895) 16.582 6.562 ( -4.005 -1.135 1.669) 4.485 6.664 ( -2.447 -3.358 2.024) 4.622 6.737 ( -1.027 0.678 1.562) 1.989 6.828 ( 0.594 -1.819 1.441) 2.395 6.981 ( -5.531 2.568 3.211) 6.892 7.068 ( -3.518 -0.271 2.651) 4.413 7.400 ( -5.007 1.316 1.673) 5.440 7.468 ( -2.429 0.615 2.020) 3.219 7.959 ( -3.141 0.042 -0.114) 3.143 8.032 ( -2.671 -2.417 -0.028) 3.602 8.145 ( -1.394 0.485 -0.463) 1.547 8.164 ( -3.203 0.182 -1.321) 3.470 8.793 ( 0.350 1.875 0.888) 2.103 8.886 ( 1.328 -2.787 0.723) 3.170 9.026 ( 0.344 3.161 -0.114) 3.182 9.095 ( -0.918 -0.638 -0.972) 1.481 9.395 ( -1.518 1.429 -2.606) 3.338 9.497 ( -2.540 -2.454 -1.150) 3.715 9.696 ( 4.295 1.122 -1.997) 4.867 9.762 ( 3.894 -1.479 0.068) 4.166 10.365 ( -2.849 1.706 2.725) 4.296 10.459 ( -2.092 -2.152 2.698) 4.036 10.697 ( -0.127 1.772 -1.859) 2.571 10.764 ( -0.524 -1.013 -2.377) 2.636 ======================= Grid point 99 (54/87) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -6.308 -4.581 5.691) 9.652 0.772 ( -4.299 -6.348 -1.360) 7.786 0.889 ( -7.721 1.469 5.172) 9.409 0.947 ( -3.814 -0.493 -0.084) 3.847 0.976 ( -4.304 -0.800 3.402) 5.544 1.052 ( -0.904 -4.071 1.654) 4.486 1.098 ( -5.099 2.779 -1.402) 5.974 1.170 ( -1.957 2.634 -0.418) 3.308 1.198 ( -5.998 -0.655 -2.684) 6.604 1.254 ( -0.912 1.917 0.838) 2.282 1.263 ( -7.338 1.194 -1.338) 7.554 1.322 ( -1.406 0.242 -0.262) 1.450 1.358 ( -3.586 3.889 0.814) 5.353 1.503 ( -4.972 0.948 -0.749) 5.117 1.547 ( -6.122 -2.306 -0.722) 6.582 1.582 ( -0.065 -4.373 3.840) 5.820 1.718 ( -3.589 2.347 -1.038) 4.412 1.743 ( -2.214 3.208 -0.565) 3.938 1.773 ( -4.665 -0.508 -1.739) 5.005 1.797 ( -3.015 0.347 -1.860) 3.559 1.926 ( -10.262 4.644 8.535) 14.133 2.054 ( -2.345 0.773 -0.578) 2.536 2.077 ( -2.496 -0.483 1.008) 2.735 2.191 ( -5.754 0.323 4.037) 7.036 2.235 ( -0.549 1.935 5.555) 5.908 2.390 ( 1.223 -4.340 1.631) 4.795 2.611 ( -1.600 1.536 -1.156) 2.501 2.665 ( -2.118 -0.927 -4.188) 4.784 3.008 ( -1.207 -1.384 1.361) 2.286 3.042 ( -2.058 -2.429 -0.657) 3.250 3.206 ( -4.286 1.607 -4.033) 6.101 3.271 ( -6.048 -1.417 -2.192) 6.587 3.358 ( -6.773 2.206 0.565) 7.146 3.420 ( -9.404 -0.502 0.063) 9.418 3.549 ( -6.199 1.929 -4.248) 7.759 3.650 ( -6.290 -2.000 -2.906) 7.211 4.571 ( -0.127 10.633 5.451) 11.949 4.957 ( -4.837 -3.295 -3.915) 7.041 5.122 ( -8.465 -0.412 -5.731) 10.231 5.195 ( -8.641 2.972 3.798) 9.896 5.227 ( -6.016 -3.716 2.488) 7.496 5.392 ( -8.095 -9.324 -2.795) 12.660 5.559 ( -3.346 6.750 -5.248) 9.181 5.674 ( -15.428 1.606 0.489) 15.519 5.819 ( -1.569 3.411 2.173) 4.338 5.919 ( -16.519 -2.207 -3.717) 17.076 6.053 ( -10.902 0.054 -0.615) 10.920 6.123 ( -8.878 -3.779 -1.176) 9.720 6.575 ( 2.545 -0.472 1.902) 3.212 6.627 ( -2.029 -1.456 0.621) 2.574 6.723 ( 0.021 3.217 2.885) 4.321 6.843 ( -1.215 -1.453 -2.633) 3.243 6.907 ( 0.397 2.917 7.792) 8.330 6.986 ( -3.882 -0.178 1.615) 4.208 7.292 ( -4.773 1.155 0.487) 4.934 7.434 ( -0.961 -2.830 2.792) 4.090 7.895 ( -2.389 0.448 0.092) 2.432 7.976 ( -2.071 -2.487 0.261) 3.247 8.078 ( -3.661 1.602 -1.151) 4.159 8.110 ( -2.667 -0.050 -0.114) 2.670 8.806 ( 0.617 1.844 1.179) 2.274 8.907 ( 0.623 -2.583 -0.029) 2.658 9.022 ( -0.653 2.253 -0.047) 2.347 9.083 ( -0.233 -0.530 -1.955) 2.039 9.400 ( 2.287 0.840 -3.815) 4.527 9.467 ( -0.018 -1.643 -2.863) 3.300 9.725 ( -1.832 1.003 0.161) 2.095 9.799 ( -0.909 -2.027 1.088) 2.473 10.340 ( 0.757 1.711 0.841) 2.051 10.432 ( -0.257 -2.077 0.860) 2.263 10.672 ( -2.116 1.527 -1.023) 2.803 10.731 ( -2.468 -0.893 -1.432) 2.990 ======================= Grid point 100 (55/87) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -10.610 -2.623 6.422) 12.676 0.585 ( -14.046 -1.469 4.021) 14.684 0.720 ( -7.752 -3.545 3.822) 9.341 0.786 ( -6.877 -4.221 -1.251) 8.165 0.878 ( -11.569 0.725 0.748) 11.616 0.930 ( -13.068 -1.581 -0.219) 13.165 0.976 ( -3.411 -0.283 0.345) 3.440 1.034 ( -6.827 1.971 -1.474) 7.258 1.077 ( -2.577 -1.608 1.133) 3.242 1.133 ( -3.257 2.284 -2.597) 4.750 1.217 ( -2.227 0.837 1.118) 2.629 1.262 ( -1.837 1.557 -0.598) 2.481 1.335 ( -1.554 5.643 2.440) 6.341 1.403 ( -5.148 -1.905 0.907) 5.564 1.429 ( -2.485 -1.026 -1.194) 2.942 1.533 ( -2.961 1.093 3.439) 4.668 1.629 ( -3.892 2.584 -2.134) 5.136 1.687 ( -3.993 4.918 2.178) 6.699 1.697 ( -1.050 -0.255 1.710) 2.023 1.754 ( -2.362 1.203 5.343) 5.965 1.835 ( 2.263 -0.055 -0.510) 2.321 1.993 ( -1.757 1.891 1.125) 2.815 2.044 ( -4.138 -0.480 2.978) 5.121 2.075 ( -2.403 -4.608 4.418) 6.821 2.258 ( 1.278 3.189 1.538) 3.764 2.408 ( 0.220 -3.549 0.424) 3.581 2.566 ( -3.209 2.262 -1.863) 4.346 2.617 ( -1.737 -0.288 -5.222) 5.511 2.995 ( -0.032 -2.730 1.755) 3.246 2.998 ( -2.023 -1.942 0.664) 2.882 3.108 ( -3.938 -0.162 -2.711) 4.783 3.136 ( -5.670 -1.908 -1.405) 6.145 3.228 ( -6.586 1.624 -1.119) 6.875 3.252 ( -4.879 0.382 1.044) 5.004 3.438 ( -3.614 2.607 -4.048) 6.020 3.528 ( -4.905 -0.786 -3.395) 6.017 4.502 ( -11.620 6.376 1.661) 13.358 4.658 ( -20.014 3.551 0.998) 20.351 4.776 ( -18.533 0.052 2.948) 18.766 4.836 ( -13.059 1.297 -7.396) 15.064 4.985 ( -22.353 2.344 -0.675) 22.486 5.093 ( -6.205 -4.352 3.531) 8.362 5.274 ( -6.167 0.185 -2.410) 6.624 5.514 ( -2.769 -5.824 -7.723) 10.061 5.872 ( 6.140 1.628 -2.598) 6.864 5.930 ( 4.790 6.535 0.512) 8.118 6.053 ( 3.564 -7.871 -0.198) 8.642 6.140 ( 6.728 -1.803 0.477) 6.982 6.565 ( -3.475 2.180 1.007) 4.224 6.612 ( 0.340 -1.965 -0.058) 1.995 6.746 ( 1.434 4.123 1.351) 4.569 6.776 ( -3.708 1.464 -0.033) 3.987 6.907 ( -2.478 1.096 3.178) 4.177 7.000 ( 5.717 -0.669 3.641) 6.811 7.216 ( -1.727 1.907 0.261) 2.586 7.413 ( -1.394 -4.577 2.902) 5.596 7.871 ( 0.202 0.940 0.180) 0.979 7.955 ( -0.093 -1.598 0.153) 1.608 8.008 ( -2.773 0.838 -0.737) 2.989 8.044 ( -3.286 -0.150 -0.258) 3.299 8.817 ( 0.514 2.106 1.480) 2.625 8.922 ( 1.178 -1.921 -0.795) 2.389 9.007 ( -0.756 1.284 -1.220) 1.926 9.075 ( -0.604 -1.164 -2.903) 3.185 9.480 ( 4.336 -0.459 -2.730) 5.144 9.496 ( 2.529 -0.781 -2.814) 3.863 9.629 ( -6.288 1.484 0.415) 6.474 9.707 ( -7.683 -2.112 0.274) 7.973 10.394 ( 3.912 1.020 0.072) 4.044 10.455 ( 2.296 -1.453 0.278) 2.731 10.610 ( -3.590 1.401 -0.496) 3.885 10.663 ( -3.723 -0.820 -0.647) 3.867 ======================= Grid point 101 (56/87) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 1.573 -2.450 -1.532) 3.290 0.315 ( 1.573 2.450 -1.532) 3.290 0.624 ( 3.046 -2.724 2.941) 5.034 0.624 ( 3.046 2.724 2.941) 5.034 0.696 ( -3.586 -1.093 2.063) 4.279 0.696 ( -3.586 1.093 2.063) 4.279 0.954 ( 0.195 -3.433 1.123) 3.617 0.954 ( 0.195 3.433 1.123) 3.617 1.060 ( 0.390 -2.856 -0.362) 2.905 1.060 ( 0.390 2.856 -0.362) 2.905 1.264 ( -1.101 -1.257 -1.721) 2.398 1.264 ( -1.101 1.257 -1.721) 2.398 1.301 ( -0.744 -1.417 0.747) 1.766 1.301 ( -0.744 1.417 0.747) 1.766 1.497 ( 1.144 -2.669 3.320) 4.411 1.497 ( 1.144 2.669 3.320) 4.411 1.617 ( -3.623 -4.143 0.910) 5.578 1.617 ( -3.623 4.143 0.910) 5.578 1.761 ( 0.009 -3.699 3.545) 5.123 1.761 ( 0.009 3.699 3.545) 5.123 1.886 ( 0.744 -3.986 3.599) 5.421 1.886 ( 0.744 3.986 3.599) 5.421 2.002 ( -0.162 -1.759 1.034) 2.047 2.002 ( -0.162 1.759 1.034) 2.047 2.353 ( 1.196 -3.122 0.575) 3.392 2.353 ( 1.196 3.122 0.575) 3.392 2.562 ( -0.998 -2.817 -3.835) 4.862 2.562 ( -0.998 2.817 -3.835) 4.862 2.953 ( -0.431 -1.100 2.115) 2.423 2.953 ( -0.431 1.100 2.115) 2.423 3.055 ( 0.294 -1.523 -1.050) 1.873 3.055 ( 0.294 1.523 -1.050) 1.873 3.167 ( -0.334 -1.677 -0.577) 1.804 3.167 ( -0.334 1.677 -0.577) 1.804 3.455 ( 0.151 -1.496 -3.955) 4.232 3.455 ( 0.151 1.496 -3.955) 4.232 4.325 ( -1.440 -4.022 1.476) 4.520 4.325 ( -1.440 4.022 1.476) 4.520 4.660 ( -0.803 -2.798 -2.144) 3.615 4.660 ( -0.803 2.798 -2.144) 3.615 4.990 ( 2.774 -8.678 -2.564) 9.465 4.990 ( 2.774 8.678 -2.564) 9.465 5.242 ( -3.408 -10.473 -2.998) 11.414 5.242 ( -3.408 10.473 -2.998) 11.414 5.998 ( -0.569 -2.398 0.829) 2.601 5.998 ( -0.569 2.398 0.829) 2.601 6.159 ( 2.231 -7.756 -1.767) 8.262 6.159 ( 2.231 7.756 -1.767) 8.262 6.554 ( -1.239 -2.098 0.200) 2.445 6.554 ( -1.239 2.098 0.200) 2.445 6.745 ( -1.421 -1.796 -0.077) 2.292 6.745 ( -1.421 1.796 -0.077) 2.292 7.008 ( 2.001 -5.066 2.473) 5.982 7.008 ( 2.001 5.066 2.473) 5.982 7.309 ( 1.272 -3.287 2.550) 4.351 7.309 ( 1.272 3.287 2.550) 4.351 7.934 ( 1.581 -2.154 0.418) 2.705 7.934 ( 1.581 2.154 0.418) 2.705 7.973 ( -1.226 -1.435 -1.198) 2.236 7.973 ( -1.226 1.435 -1.198) 2.236 8.920 ( 3.781 -3.542 -1.430) 5.375 8.920 ( 3.781 3.542 -1.430) 5.375 9.011 ( -1.672 -1.991 -2.788) 3.812 9.011 ( -1.672 1.991 -2.788) 3.812 9.424 ( -8.787 -3.719 2.698) 9.916 9.424 ( -8.787 3.719 2.698) 9.916 9.628 ( 3.728 -1.501 -1.851) 4.424 9.628 ( 3.728 1.501 -1.851) 4.424 10.490 ( 2.753 -0.863 0.055) 2.885 10.490 ( 2.753 0.863 0.055) 2.885 10.566 ( -2.616 -1.123 -0.351) 2.868 10.566 ( -2.616 1.123 -0.351) 2.868 ======================= Grid point 103 (57/87) ======================= q-point: ( 0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 7.388 -6.344 0.311) 9.743 0.519 ( 7.388 6.344 0.311) 9.743 0.771 ( 9.498 -2.705 1.788) 10.036 0.771 ( 9.498 2.705 1.788) 10.036 0.864 ( 14.065 -1.812 0.849) 14.206 0.864 ( 14.065 1.812 0.849) 14.206 0.987 ( 4.063 -1.937 1.705) 4.813 0.987 ( 4.063 1.937 1.705) 4.813 1.140 ( 5.634 -0.940 0.603) 5.744 1.140 ( 5.634 0.940 0.603) 5.744 1.238 ( 0.312 -2.366 -2.510) 3.464 1.238 ( 0.312 2.366 -2.510) 3.464 1.351 ( 4.649 -1.656 1.024) 5.040 1.351 ( 4.649 1.656 1.024) 5.040 1.536 ( 1.214 -1.749 0.507) 2.189 1.536 ( 1.214 1.749 0.507) 2.189 1.557 ( 0.709 -3.231 2.694) 4.266 1.557 ( 0.709 3.231 2.694) 4.266 1.788 ( 2.578 -4.032 3.935) 6.196 1.788 ( 2.578 4.032 3.935) 6.196 1.905 ( 0.394 -1.394 0.426) 1.510 1.905 ( 0.394 1.394 0.426) 1.510 2.023 ( 1.874 -3.826 3.205) 5.331 2.023 ( 1.874 3.826 3.205) 5.331 2.383 ( 1.134 -2.494 1.382) 3.069 2.383 ( 1.134 2.494 1.382) 3.069 2.555 ( 0.137 -3.622 -3.153) 4.805 2.555 ( 0.137 3.622 -3.153) 4.805 2.953 ( 0.721 -1.747 2.017) 2.764 2.953 ( 0.721 1.747 2.017) 2.764 3.140 ( 6.862 -2.089 -1.961) 7.436 3.140 ( 6.862 2.089 -1.961) 7.436 3.222 ( 4.784 -1.858 -0.553) 5.162 3.222 ( 4.784 1.858 -0.553) 5.162 3.489 ( 2.862 -2.129 -3.793) 5.207 3.489 ( 2.862 2.129 -3.793) 5.207 4.588 ( 22.627 -3.609 0.434) 22.917 4.588 ( 22.627 3.609 0.434) 22.917 4.805 ( 10.844 -5.454 -1.528) 12.234 4.805 ( 10.844 5.454 -1.528) 12.234 5.126 ( 7.387 -4.253 1.740) 8.700 5.126 ( 7.387 4.253 1.740) 8.700 5.208 ( 6.070 -8.392 -4.787) 11.411 5.208 ( 6.070 8.392 -4.787) 11.411 5.907 ( -7.005 -1.579 0.169) 7.183 5.907 ( -7.005 1.579 0.169) 7.183 6.142 ( -3.106 -5.733 -1.307) 6.650 6.142 ( -3.106 5.733 -1.307) 6.650 6.548 ( 0.704 -1.352 0.429) 1.584 6.548 ( 0.704 1.352 0.429) 1.584 6.755 ( 2.460 -2.232 -0.629) 3.381 6.755 ( 2.460 2.232 -0.629) 3.381 7.036 ( -0.087 -3.947 3.192) 5.077 7.036 ( -0.087 3.947 3.192) 5.077 7.329 ( 0.789 -0.637 2.345) 2.555 7.329 ( 0.789 0.637 2.345) 2.555 7.951 ( 1.056 -0.244 -0.288) 1.121 7.951 ( 1.056 0.244 -0.288) 1.121 8.000 ( 2.456 -2.470 -0.436) 3.510 8.000 ( 2.456 2.470 -0.436) 3.510 8.952 ( -2.317 -1.851 -1.638) 3.388 8.952 ( -2.317 1.851 -1.638) 3.388 9.049 ( 6.948 -3.368 -4.325) 8.850 9.049 ( 6.948 3.368 -4.325) 8.850 9.256 ( -6.148 -5.145 2.911) 8.529 9.256 ( -6.148 5.145 2.911) 8.529 9.694 ( 1.431 -2.480 1.040) 3.047 9.694 ( 1.431 2.480 1.040) 3.047 10.514 ( 0.583 -1.110 -2.211) 2.541 10.514 ( 0.583 1.110 -2.211) 2.541 10.561 ( 1.299 -0.844 1.292) 2.017 10.561 ( 1.299 0.844 1.292) 2.017 ======================= Grid point 105 (58/87) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 4.558 -4.139 2.013) 6.478 0.634 ( 4.558 4.139 2.013) 6.478 0.922 ( 2.744 -0.817 1.329) 3.156 0.922 ( 2.744 0.817 1.329) 3.156 1.035 ( 7.271 -4.108 1.525) 8.490 1.035 ( 7.271 4.108 1.525) 8.490 1.145 ( 4.531 -1.491 1.771) 5.089 1.145 ( 4.531 1.491 1.771) 5.089 1.213 ( 2.024 -1.180 -1.085) 2.582 1.213 ( 2.024 1.180 -1.085) 2.582 1.302 ( 4.039 -0.548 -0.395) 4.095 1.302 ( 4.039 0.548 -0.395) 4.095 1.468 ( 4.321 -4.733 -1.882) 6.680 1.468 ( 4.321 4.733 -1.882) 6.680 1.544 ( 2.801 -2.038 1.280) 3.693 1.544 ( 2.801 2.038 1.280) 3.693 1.670 ( 5.369 -2.200 2.259) 6.227 1.670 ( 5.369 2.200 2.259) 6.227 1.862 ( 1.577 -0.473 -1.202) 2.039 1.862 ( 1.577 0.473 -1.202) 2.039 1.942 ( 6.964 -3.805 0.991) 7.998 1.942 ( 6.964 3.805 0.991) 7.998 2.087 ( 4.256 -3.538 5.197) 7.592 2.087 ( 4.256 3.538 5.197) 7.592 2.386 ( -0.924 -2.248 2.903) 3.786 2.386 ( -0.924 2.248 2.903) 3.786 2.572 ( 1.867 -3.861 -2.900) 5.177 2.572 ( 1.867 3.861 -2.900) 5.177 2.981 ( 1.613 -0.913 2.184) 2.864 2.981 ( 1.613 0.913 2.184) 2.864 3.282 ( 5.254 -2.800 -4.898) 7.709 3.282 ( 5.254 2.800 -4.898) 7.709 3.358 ( 8.056 -3.002 1.437) 8.717 3.358 ( 8.056 3.002 1.437) 8.717 3.578 ( 5.849 -2.928 -3.659) 7.495 3.578 ( 5.849 2.928 -3.659) 7.495 4.918 ( 4.213 -4.345 3.317) 6.902 4.918 ( 4.213 4.345 3.317) 6.902 4.981 ( 3.571 -7.195 -6.392) 10.265 4.981 ( 3.571 7.195 -6.392) 10.265 5.245 ( 8.350 -5.374 4.197) 10.780 5.245 ( 8.350 5.374 4.197) 10.780 5.632 ( 16.172 -1.847 -2.348) 16.446 5.632 ( 16.172 1.847 -2.348) 16.446 5.794 ( 5.875 -6.218 -0.510) 8.570 5.794 ( 5.875 6.218 -0.510) 8.570 6.130 ( 5.376 -4.785 -1.250) 7.305 6.130 ( 5.376 4.785 -1.250) 7.305 6.577 ( 2.106 -0.415 0.823) 2.298 6.577 ( 2.106 0.415 0.823) 2.298 6.829 ( 3.577 -3.127 -1.539) 4.994 6.829 ( 3.577 3.127 -1.539) 4.994 7.008 ( -1.577 -2.415 5.511) 6.221 7.008 ( -1.577 2.415 5.511) 6.221 7.366 ( 2.916 -1.460 1.462) 3.574 7.366 ( 2.916 1.460 1.462) 3.574 7.985 ( 1.791 -0.972 -0.142) 2.043 7.985 ( 1.791 0.972 -0.142) 2.043 8.055 ( 2.847 -3.362 -0.497) 4.433 8.055 ( 2.847 3.362 -0.497) 4.433 8.903 ( -2.057 -1.955 -0.276) 2.851 8.903 ( -2.057 1.955 -0.276) 2.851 9.161 ( -2.231 -5.994 -1.688) 6.615 9.161 ( -2.231 5.994 -1.688) 6.615 9.223 ( 8.109 -3.459 -2.265) 9.102 9.223 ( 8.109 3.459 -2.265) 9.102 9.681 ( -2.380 -3.029 2.883) 4.812 9.681 ( -2.380 3.029 2.883) 4.812 10.534 ( 0.405 -0.457 0.378) 0.718 10.534 ( 0.405 0.457 0.378) 0.718 10.597 ( 2.622 -0.519 -1.345) 2.993 10.597 ( 2.622 0.519 -1.345) 2.993 ======================= Grid point 107 (59/87) ======================= q-point: ( 0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 3.204 -1.366 2.976) 4.581 0.720 ( 3.204 1.366 2.976) 4.581 0.954 ( 0.989 -0.519 1.271) 1.691 0.954 ( 0.989 0.519 1.271) 1.691 1.118 ( 0.294 -0.792 1.657) 1.860 1.118 ( 0.294 0.792 1.657) 1.860 1.208 ( 2.339 -2.260 0.629) 3.313 1.208 ( 2.339 2.260 0.629) 3.313 1.263 ( 2.424 -0.341 -1.307) 2.775 1.263 ( 2.424 0.341 -1.307) 2.775 1.347 ( 0.677 -1.099 1.686) 2.123 1.347 ( 0.677 1.099 1.686) 2.123 1.501 ( 0.371 -3.527 -1.027) 3.692 1.501 ( 0.371 3.527 -1.027) 3.692 1.632 ( 2.673 -1.999 0.068) 3.338 1.632 ( 2.673 1.999 0.068) 3.338 1.739 ( 2.543 -1.699 1.120) 3.257 1.739 ( 2.543 1.699 1.120) 3.257 1.871 ( 0.333 -0.651 -2.881) 2.972 1.871 ( 0.333 0.651 -2.881) 2.972 2.112 ( 4.603 -0.672 2.082) 5.096 2.112 ( 4.603 0.672 2.082) 5.096 2.212 ( 7.353 -1.569 2.460) 7.910 2.212 ( 7.353 1.569 2.460) 7.910 2.358 ( -1.429 -2.380 4.400) 5.203 2.358 ( -1.429 2.380 4.400) 5.203 2.629 ( 3.180 -3.522 -2.638) 5.429 2.629 ( 3.180 3.522 -2.638) 5.429 3.017 ( 1.604 -0.335 2.062) 2.634 3.017 ( 1.604 0.335 2.062) 2.634 3.354 ( 2.117 -2.869 -4.748) 5.937 3.354 ( 2.117 2.869 -4.748) 5.937 3.533 ( 7.462 -3.393 0.841) 8.240 3.533 ( 7.462 3.393 0.841) 8.240 3.716 ( 6.312 -3.145 -3.647) 7.939 3.716 ( 6.312 3.145 -3.647) 7.939 4.878 ( -3.937 -9.887 4.299) 11.478 4.878 ( -3.937 9.887 4.299) 11.478 5.075 ( 3.411 -2.447 -2.120) 4.702 5.075 ( 3.411 2.447 -2.120) 4.702 5.239 ( -4.222 -1.383 0.085) 4.443 5.239 ( -4.222 1.383 0.085) 4.443 5.617 ( -4.355 -3.577 -2.273) 6.077 5.617 ( -4.355 3.577 -2.273) 6.077 6.220 ( 17.059 -1.722 -1.644) 17.224 6.220 ( 17.059 1.722 -1.644) 17.224 6.339 ( 9.562 -3.441 0.819) 10.195 6.339 ( 9.562 3.441 0.819) 10.195 6.652 ( 4.838 -1.435 0.878) 5.122 6.652 ( 4.838 1.435 0.878) 5.122 6.848 ( -1.697 -3.243 0.170) 3.664 6.848 ( -1.697 3.243 0.170) 3.664 7.038 ( 3.882 -1.009 4.931) 6.356 7.038 ( 3.882 1.009 4.931) 6.356 7.450 ( 4.497 -0.750 0.570) 4.595 7.450 ( 4.497 0.750 0.570) 4.595 8.018 ( 1.201 -1.736 0.175) 2.118 8.018 ( 1.201 1.736 0.175) 2.118 8.122 ( 3.305 -2.855 -1.125) 4.510 8.122 ( 3.305 2.855 -1.125) 4.510 8.862 ( -1.837 -0.960 0.610) 2.161 8.862 ( -1.837 0.960 0.610) 2.161 9.117 ( -1.766 -3.694 -0.591) 4.136 9.117 ( -1.766 3.694 -0.591) 4.136 9.401 ( 8.000 -3.202 -3.708) 9.381 9.401 ( 8.000 3.202 -3.708) 9.381 9.616 ( -3.182 -3.053 2.335) 4.990 9.616 ( -3.182 3.053 2.335) 4.990 10.517 ( -1.814 -1.213 3.269) 3.931 10.517 ( -1.814 1.213 3.269) 3.931 10.666 ( 3.405 -1.788 -3.264) 5.044 10.666 ( 3.405 1.788 -3.264) 5.044 ======================= Grid point 109 (60/87) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.803 -0.458 2.611) 2.770 0.764 ( 0.803 0.458 2.611) 2.770 0.971 ( 0.456 -1.386 1.061) 1.804 0.971 ( 0.456 1.386 1.061) 1.804 1.097 ( -1.737 -1.225 2.316) 3.144 1.097 ( -1.737 1.225 2.316) 3.144 1.242 ( 0.947 -1.712 -0.265) 1.974 1.242 ( 0.947 1.712 -0.265) 1.974 1.290 ( -0.188 -0.224 -0.314) 0.429 1.290 ( -0.188 0.224 -0.314) 0.429 1.346 ( -0.512 -0.493 1.360) 1.534 1.346 ( -0.512 0.493 1.360) 1.534 1.501 ( -0.319 -2.506 0.128) 2.530 1.501 ( -0.319 2.506 0.128) 2.530 1.648 ( -0.269 -1.617 0.168) 1.648 1.648 ( -0.269 1.617 0.168) 1.648 1.805 ( 2.993 -0.453 -1.586) 3.417 1.805 ( 2.993 0.453 -1.586) 3.417 1.865 ( -1.106 -0.184 -2.191) 2.461 1.865 ( -1.106 0.184 -2.191) 2.461 2.134 ( -1.173 -1.161 2.216) 2.763 2.134 ( -1.173 1.161 2.216) 2.763 2.319 ( 0.512 -2.461 1.076) 2.735 2.319 ( 0.512 2.461 1.076) 2.735 2.338 ( -0.199 -1.958 5.604) 5.940 2.338 ( -0.199 1.958 5.604) 5.940 2.678 ( 1.100 -1.886 -2.463) 3.291 2.678 ( 1.100 1.886 -2.463) 3.291 3.042 ( 0.484 -0.939 1.640) 1.951 3.042 ( 0.484 0.939 1.640) 1.951 3.373 ( -0.228 -2.887 -4.310) 5.192 3.373 ( -0.228 2.887 -4.310) 5.192 3.630 ( 0.762 -3.714 0.212) 3.798 3.630 ( 0.762 3.714 0.212) 3.798 3.791 ( 0.156 -2.955 -3.876) 4.877 3.791 ( 0.156 2.955 -3.876) 4.877 4.818 ( -1.654 -11.797 4.993) 12.916 4.818 ( -1.654 11.797 4.993) 12.916 5.073 ( 0.224 -3.153 -0.156) 3.165 5.073 ( 0.224 3.153 -0.156) 3.165 5.265 ( 4.580 -1.554 -0.293) 4.845 5.265 ( 4.580 1.554 -0.293) 4.845 5.536 ( -2.288 -3.855 -4.465) 6.327 5.536 ( -2.288 3.855 -4.465) 6.327 6.409 ( 3.730 -4.572 0.170) 5.903 6.409 ( 3.730 4.572 0.170) 5.903 6.456 ( -0.227 -4.582 -0.597) 4.626 6.456 ( -0.227 4.582 -0.597) 4.626 6.715 ( -0.653 -0.923 1.734) 2.070 6.715 ( -0.653 0.923 1.734) 2.070 6.798 ( -2.600 -3.088 0.966) 4.150 6.798 ( -2.600 3.088 0.966) 4.150 7.092 ( -0.234 -1.255 4.089) 4.283 7.092 ( -0.234 1.255 4.089) 4.283 7.509 ( -0.076 -1.143 0.325) 1.190 7.509 ( -0.076 1.143 0.325) 1.190 8.025 ( -0.869 -2.053 0.094) 2.232 8.025 ( -0.869 2.053 0.094) 2.232 8.173 ( 0.992 -1.829 -1.437) 2.529 8.173 ( 0.992 1.829 -1.437) 2.529 8.833 ( -0.699 -1.234 1.000) 1.735 8.833 ( -0.699 1.234 1.000) 1.735 9.086 ( -1.008 -2.570 -0.497) 2.805 9.086 ( -1.008 2.570 -0.497) 2.805 9.488 ( -1.345 -2.655 -0.733) 3.065 9.488 ( -1.345 2.655 -0.733) 3.065 9.619 ( 4.978 -1.693 -1.437) 5.451 9.619 ( 4.978 1.693 -1.437) 5.451 10.468 ( -2.821 -1.895 3.701) 5.024 10.468 ( -2.821 1.895 3.701) 5.024 10.722 ( 1.732 -1.957 -2.895) 3.900 10.722 ( 1.732 1.957 -2.895) 3.900 ======================= Grid point 111 (61/87) ======================= q-point: (-0.38 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -2.462 -0.888 1.364) 2.951 0.749 ( -2.462 0.888 1.364) 2.951 0.974 ( -0.049 -2.305 1.500) 2.751 0.974 ( -0.049 2.305 1.500) 2.751 1.052 ( -3.051 -1.568 3.194) 4.687 1.052 ( -3.051 1.568 3.194) 4.687 1.237 ( -3.017 -1.870 -0.357) 3.567 1.237 ( -3.017 1.870 -0.357) 3.567 1.263 ( -0.268 -0.734 -0.980) 1.254 1.263 ( -0.268 0.734 -0.980) 1.254 1.339 ( -0.488 -0.664 1.668) 1.861 1.339 ( -0.488 0.664 1.668) 1.861 1.488 ( -0.908 -3.542 0.267) 3.666 1.488 ( -0.908 3.542 0.267) 3.666 1.624 ( -2.607 -0.818 0.373) 2.758 1.624 ( -2.607 0.818 0.373) 2.758 1.805 ( -2.699 -0.669 -1.603) 3.209 1.805 ( -2.699 0.669 -1.603) 3.209 1.850 ( -0.626 -0.920 -1.785) 2.103 1.850 ( -0.626 0.920 -1.785) 2.103 2.100 ( -2.285 -1.423 0.397) 2.721 2.100 ( -2.285 1.423 0.397) 2.721 2.263 ( -4.562 -5.737 3.514) 8.129 2.263 ( -4.562 5.737 3.514) 8.129 2.312 ( -2.504 -2.167 4.724) 5.769 2.312 ( -2.504 2.167 4.724) 5.769 2.673 ( -1.216 -1.260 -2.259) 2.858 2.673 ( -1.216 1.260 -2.259) 2.858 3.035 ( -1.121 -1.147 1.160) 1.979 3.035 ( -1.121 1.147 1.160) 1.979 3.338 ( -3.069 -2.542 -3.900) 5.576 3.338 ( -3.069 2.542 -3.900) 5.576 3.559 ( -6.627 -3.122 0.127) 7.327 3.559 ( -6.627 3.122 0.127) 7.327 3.726 ( -5.355 -2.751 -3.915) 7.181 3.726 ( -5.355 2.751 -3.915) 7.181 4.806 ( 0.080 -12.193 2.726) 12.494 4.806 ( 0.080 12.193 2.726) 12.494 5.154 ( 5.609 -2.143 -0.453) 6.022 5.154 ( 5.609 2.143 -0.453) 6.022 5.322 ( -0.289 -5.720 0.906) 5.799 5.322 ( -0.289 5.720 0.906) 5.799 5.567 ( 5.848 -3.502 -3.967) 7.887 5.567 ( 5.848 3.502 -3.967) 7.887 6.276 ( -16.643 -3.762 -1.880) 17.166 6.276 ( -16.643 3.762 -1.880) 17.166 6.415 ( -8.252 -3.808 -1.212) 9.169 6.415 ( -8.252 3.808 -1.212) 9.169 6.590 ( -6.044 -3.121 3.152) 7.497 6.590 ( -6.044 3.121 3.152) 7.497 6.777 ( 0.223 -2.717 1.567) 3.145 6.777 ( 0.223 2.717 1.567) 3.145 7.037 ( -3.952 -2.517 4.047) 6.191 7.037 ( -3.952 2.517 4.047) 6.191 7.447 ( -4.727 -2.424 0.384) 5.326 7.447 ( -4.727 2.424 0.384) 5.326 7.980 ( -2.907 -2.140 0.355) 3.627 7.980 ( -2.907 2.140 0.355) 3.627 8.158 ( -1.967 -0.614 -1.357) 2.467 8.158 ( -1.967 0.614 -1.357) 2.467 8.836 ( 0.781 -2.290 0.940) 2.595 8.836 ( 0.781 2.290 0.940) 2.595 9.073 ( -0.380 -1.559 -0.538) 1.693 9.073 ( -0.380 1.559 -0.538) 1.693 9.440 ( -1.910 -2.858 -1.867) 3.911 9.440 ( -1.910 2.858 -1.867) 3.911 9.726 ( 3.887 -1.792 -0.743) 4.344 9.726 ( 3.887 1.792 -0.743) 4.344 10.410 ( -2.443 -2.530 2.730) 4.452 10.410 ( -2.443 2.530 2.730) 4.452 10.735 ( -0.372 -1.798 -2.136) 2.816 10.735 ( -0.372 1.798 -2.136) 2.816 ======================= Grid point 113 (62/87) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -5.349 -2.572 0.928) 6.008 0.664 ( -5.349 2.572 0.928) 6.008 0.929 ( -7.582 -1.776 3.243) 8.435 0.929 ( -7.582 1.776 3.243) 8.435 0.983 ( -0.856 -1.998 3.096) 3.782 0.983 ( -0.856 1.998 3.096) 3.782 1.148 ( -5.762 -2.206 -2.007) 6.488 1.148 ( -5.762 2.206 -2.007) 6.488 1.246 ( -2.010 -2.357 -1.049) 3.271 1.246 ( -2.010 2.357 -1.049) 3.271 1.297 ( -4.179 -1.979 0.684) 4.675 1.297 ( -4.179 1.979 0.684) 4.675 1.470 ( -0.372 -5.868 1.585) 6.090 1.470 ( -0.372 5.868 1.585) 6.090 1.520 ( -6.377 -0.794 -0.026) 6.426 1.520 ( -6.377 0.794 -0.026) 6.426 1.752 ( -3.471 -1.189 -0.918) 3.782 1.752 ( -3.471 1.189 -0.918) 3.782 1.794 ( -2.695 -0.983 -2.052) 3.527 1.794 ( -2.695 0.983 -2.052) 3.527 2.021 ( -4.780 -3.441 3.593) 6.899 2.021 ( -4.780 3.441 3.593) 6.899 2.133 ( -6.886 -4.885 4.241) 9.448 2.133 ( -6.886 4.885 4.241) 9.448 2.304 ( 1.421 -4.058 2.351) 4.900 2.304 ( 1.421 4.058 2.351) 4.900 2.641 ( -1.542 -1.384 -2.549) 3.285 2.641 ( -1.542 1.384 -2.549) 3.285 3.002 ( -1.808 -1.020 1.006) 2.307 3.002 ( -1.808 1.020 1.006) 2.307 3.237 ( -6.110 -1.661 -2.729) 6.895 3.237 ( -6.110 1.661 -2.729) 6.895 3.401 ( -7.452 -1.586 -0.532) 7.637 3.401 ( -7.452 1.586 -0.532) 7.637 3.599 ( -5.883 -2.812 -3.772) 7.533 3.599 ( -5.883 2.812 -3.772) 7.533 4.808 ( -0.504 -11.082 -0.315) 11.098 4.808 ( -0.504 11.082 -0.315) 11.098 5.150 ( -10.150 -3.955 -2.677) 11.218 5.150 ( -10.150 3.955 -2.677) 11.218 5.264 ( -6.748 -3.305 2.906) 8.056 5.264 ( -6.748 3.305 2.906) 8.056 5.672 ( -6.887 -3.171 -2.629) 8.025 5.672 ( -6.887 3.171 -2.629) 8.025 5.853 ( -11.052 -2.547 -0.569) 11.356 5.853 ( -11.052 2.547 -0.569) 11.356 6.079 ( -11.612 -2.186 -1.671) 11.934 6.079 ( -11.612 2.186 -1.671) 11.934 6.585 ( 1.148 -1.728 1.715) 2.692 6.585 ( 1.148 1.728 1.715) 2.692 6.792 ( 0.922 -3.127 0.445) 3.290 6.792 ( 0.922 3.127 0.445) 3.290 6.966 ( -2.384 -2.152 4.270) 5.343 6.966 ( -2.384 2.152 4.270) 5.343 7.353 ( -3.795 -4.435 1.140) 5.947 7.353 ( -3.795 4.435 1.140) 5.947 7.925 ( -1.949 -2.315 0.350) 3.046 7.925 ( -1.949 2.315 0.350) 3.046 8.103 ( -3.085 -0.757 -0.979) 3.325 8.103 ( -3.085 0.757 -0.979) 3.325 8.854 ( 0.692 -2.651 0.641) 2.814 8.854 ( 0.692 2.651 0.641) 2.814 9.062 ( -0.767 -1.575 -1.114) 2.076 9.062 ( -0.767 1.575 -1.114) 2.076 9.429 ( 1.180 -1.885 -3.110) 3.823 9.429 ( 1.180 1.885 -3.110) 3.823 9.755 ( -1.555 -1.988 0.873) 2.671 9.755 ( -1.555 1.988 0.873) 2.671 10.384 ( 0.273 -2.483 0.907) 2.658 10.384 ( 0.273 2.483 0.907) 2.658 10.705 ( -2.320 -1.573 -1.304) 3.091 10.705 ( -2.320 1.573 -1.304) 3.091 ======================= Grid point 115 (63/87) ======================= q-point: (-0.12 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -9.126 -3.325 0.409) 9.722 0.524 ( -9.126 3.325 0.409) 9.722 0.715 ( -10.859 -2.845 4.869) 12.236 0.715 ( -10.859 2.845 4.869) 12.236 0.910 ( -12.288 -1.441 0.747) 12.394 0.910 ( -12.288 1.441 0.747) 12.394 0.982 ( -3.272 -2.284 -0.266) 3.999 0.982 ( -3.272 2.284 -0.266) 3.999 1.125 ( -6.286 -2.667 -2.174) 7.166 1.125 ( -6.286 2.667 -2.174) 7.166 1.260 ( 0.154 -2.000 0.617) 2.099 1.260 ( 0.154 2.000 0.617) 2.099 1.387 ( -5.843 -0.567 -0.556) 5.897 1.387 ( -5.843 0.567 -0.556) 5.897 1.477 ( 0.635 -5.174 3.669) 6.375 1.477 ( 0.635 5.174 3.669) 6.375 1.673 ( -2.355 -1.735 -1.474) 3.276 1.673 ( -2.355 1.735 -1.474) 3.276 1.772 ( -0.515 -1.502 -0.500) 1.665 1.772 ( -0.515 1.502 -0.500) 1.665 1.918 ( -4.383 -8.576 7.712) 12.338 1.918 ( -4.383 8.576 7.712) 12.338 2.030 ( -2.659 -1.055 2.081) 3.537 2.030 ( -2.659 1.055 2.081) 3.537 2.334 ( 0.960 -3.850 0.630) 4.018 2.334 ( 0.960 3.850 0.630) 4.018 2.602 ( -2.120 -1.286 -3.490) 4.281 2.602 ( -2.120 1.286 -3.490) 4.281 2.969 ( -1.252 -0.383 1.854) 2.270 2.969 ( -1.252 0.383 1.854) 2.270 3.110 ( -4.861 -0.608 -1.907) 5.256 3.110 ( -4.861 0.608 -1.907) 5.256 3.250 ( -6.529 -0.598 -0.518) 6.576 3.250 ( -6.529 0.598 -0.518) 6.576 3.495 ( -3.562 -2.499 -3.846) 5.808 3.495 ( -3.562 2.499 -3.846) 5.808 4.624 ( -21.649 -5.243 0.878) 22.293 4.624 ( -21.649 5.243 0.878) 22.293 4.831 ( -10.469 -2.559 -3.747) 11.410 4.831 ( -10.469 2.559 -3.747) 11.410 5.029 ( -9.911 -1.869 -0.582) 10.103 5.029 ( -9.911 1.869 -0.582) 10.103 5.355 ( -8.920 -8.124 -1.223) 12.127 5.355 ( -8.920 8.124 -1.223) 12.127 5.925 ( 6.224 -4.293 -1.731) 7.756 5.925 ( 6.224 4.293 -1.731) 7.756 6.069 ( 5.207 -5.432 0.085) 7.525 6.069 ( 5.207 5.432 0.085) 7.525 6.585 ( -1.151 -0.717 0.671) 1.512 6.585 ( -1.151 0.717 0.671) 1.512 6.787 ( -1.702 -0.875 -0.791) 2.070 6.787 ( -1.702 0.875 -0.791) 2.070 6.964 ( 1.787 -3.070 3.608) 5.063 6.964 ( 1.787 3.070 3.608) 5.063 7.298 ( -1.080 -5.871 2.446) 6.451 7.298 ( -1.080 5.871 2.446) 6.451 7.908 ( 0.357 -2.482 0.078) 2.509 7.908 ( 0.357 2.482 0.078) 2.509 8.031 ( -3.465 -1.053 -0.782) 3.705 8.031 ( -3.465 1.053 -0.782) 3.705 8.870 ( 1.182 -2.908 0.150) 3.142 8.870 ( 1.182 2.908 0.150) 3.142 9.041 ( -1.097 -1.954 -2.246) 3.173 9.041 ( -1.097 1.954 -2.246) 3.173 9.482 ( 3.156 -0.661 -2.133) 3.866 9.482 ( 3.156 0.661 -2.133) 3.866 9.663 ( -6.396 -1.976 0.646) 6.725 9.663 ( -6.396 1.976 0.646) 6.725 10.422 ( 3.004 -1.645 0.127) 3.428 10.422 ( 3.004 1.645 0.127) 3.428 10.640 ( -3.661 -1.431 -0.634) 3.981 10.640 ( -3.661 1.431 -0.634) 3.981 ======================= Grid point 125 (64/87) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 3.027 0.000 1.886) 3.566 0.407 ( 0.842 0.000 -2.923) 3.042 0.714 ( -3.228 0.000 2.073) 3.837 0.741 ( 3.369 0.000 -1.022) 3.521 0.816 ( -3.106 0.000 2.934) 4.273 0.816 ( 0.115 0.000 4.064) 4.065 0.965 ( -3.148 0.000 1.571) 3.518 0.988 ( 3.870 0.000 0.318) 3.883 1.007 ( 0.397 0.000 1.562) 1.612 1.061 ( -1.043 0.000 -3.421) 3.576 1.179 ( -2.342 0.000 -0.560) 2.408 1.223 ( 3.259 0.000 -3.387) 4.701 1.257 ( 0.694 0.000 2.672) 2.760 1.311 ( -1.626 0.000 -2.524) 3.002 1.472 ( 0.322 0.000 1.837) 1.865 1.506 ( 0.828 0.000 -1.049) 1.336 1.519 ( -2.554 0.000 2.512) 3.582 1.569 ( 2.499 0.000 -3.214) 4.071 1.767 ( -3.385 0.000 6.244) 7.103 1.844 ( -2.986 0.000 7.634) 8.197 1.859 ( 2.986 0.000 -3.542) 4.633 1.954 ( 0.876 0.000 -1.593) 1.818 2.058 ( -2.509 0.000 5.287) 5.852 2.139 ( 2.840 0.000 -2.530) 3.804 2.315 ( 1.485 0.000 4.440) 4.682 2.408 ( -2.110 0.000 -4.157) 4.662 2.452 ( -1.574 0.000 1.428) 2.125 2.506 ( 2.479 0.000 -4.079) 4.773 3.000 ( -2.605 0.000 0.253) 2.618 3.012 ( 0.651 0.000 -0.200) 0.681 3.018 ( -1.492 0.000 0.455) 1.559 3.064 ( 1.702 0.000 -3.947) 4.298 3.144 ( -0.508 0.000 4.775) 4.802 3.256 ( 0.271 0.000 -5.845) 5.852 3.321 ( 4.699 0.000 1.452) 4.918 3.363 ( -3.524 0.000 -2.988) 4.620 4.282 ( -2.816 0.000 3.016) 4.126 4.346 ( 2.163 0.000 -2.684) 3.447 4.603 ( -0.877 0.000 2.631) 2.773 4.638 ( -3.088 0.000 -0.171) 3.093 4.801 ( 5.136 0.000 7.469) 9.065 5.007 ( -0.889 0.000 -12.076) 12.108 5.194 ( -4.612 0.000 10.041) 11.050 5.406 ( 3.925 0.000 -11.338) 11.998 5.895 ( -1.737 0.000 1.505) 2.298 5.929 ( 2.380 0.000 -1.881) 3.034 6.220 ( -2.914 0.000 1.892) 3.474 6.259 ( 2.214 0.000 -2.054) 3.020 6.491 ( -1.017 0.000 5.230) 5.328 6.582 ( -0.857 0.000 -3.709) 3.807 6.714 ( -3.397 0.000 3.430) 4.827 6.771 ( 4.081 0.000 -1.915) 4.508 6.952 ( 2.205 0.000 5.247) 5.692 7.053 ( -1.944 0.000 -4.572) 4.968 7.299 ( 6.903 0.000 3.690) 7.827 7.372 ( -5.739 0.000 -2.976) 6.465 7.912 ( 2.719 0.000 1.422) 3.068 7.937 ( -2.417 0.000 -0.775) 2.538 7.989 ( -1.232 0.000 0.487) 1.324 8.007 ( 2.253 0.000 -1.306) 2.605 8.863 ( 0.521 0.000 3.420) 3.460 8.925 ( 0.742 0.000 -2.603) 2.707 8.979 ( -0.769 0.000 0.269) 0.814 9.006 ( -0.337 0.000 -2.439) 2.463 9.441 ( -10.241 0.000 4.776) 11.300 9.525 ( 6.372 0.000 -3.507) 7.273 9.551 ( -8.438 0.000 1.497) 8.570 9.589 ( 8.511 0.000 -2.430) 8.852 10.480 ( 4.145 0.000 0.491) 4.174 10.494 ( -4.131 0.000 -0.904) 4.229 10.558 ( 3.779 0.000 0.980) 3.904 10.577 ( -3.706 0.000 -0.947) 3.825 ======================= Grid point 126 (65/87) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 9.910 0.000 -1.414) 10.010 0.695 ( 11.929 0.000 2.136) 12.118 0.821 ( 15.918 0.000 2.248) 16.076 0.835 ( 5.148 0.000 2.628) 5.780 0.866 ( 8.426 0.000 1.699) 8.595 0.948 ( 3.188 0.000 -0.577) 3.240 0.980 ( 13.154 0.000 -1.248) 13.213 1.017 ( 0.489 0.000 2.745) 2.789 1.053 ( 0.516 0.000 -3.451) 3.489 1.106 ( 5.693 0.000 2.138) 6.082 1.165 ( 1.221 0.000 -0.795) 1.458 1.239 ( 1.099 0.000 -1.748) 2.065 1.310 ( 1.577 0.000 -2.392) 2.865 1.357 ( 6.511 0.000 2.970) 7.156 1.498 ( 1.518 0.000 1.525) 2.152 1.550 ( 4.087 0.000 -1.913) 4.512 1.560 ( 7.123 0.000 -0.431) 7.136 1.630 ( 2.534 0.000 -1.983) 3.218 1.700 ( -2.703 0.000 3.703) 4.585 1.792 ( -1.294 0.000 9.406) 9.494 1.884 ( -0.886 0.000 -2.686) 2.829 1.982 ( 2.347 0.000 0.525) 2.405 2.038 ( -0.110 0.000 3.757) 3.758 2.210 ( 3.169 0.000 -0.314) 3.184 2.376 ( 3.532 0.000 4.745) 5.916 2.396 ( 0.662 0.000 -3.365) 3.430 2.459 ( 1.898 0.000 1.189) 2.239 2.555 ( 1.350 0.000 -4.625) 4.818 2.981 ( 0.927 0.000 -0.542) 1.074 3.001 ( 0.630 0.000 1.729) 1.840 3.049 ( 2.617 0.000 2.114) 3.364 3.130 ( 4.170 0.000 -4.971) 6.488 3.211 ( 5.644 0.000 3.807) 6.808 3.315 ( 4.946 0.000 -3.201) 5.891 3.351 ( 2.670 0.000 -4.384) 5.133 3.449 ( 6.344 0.000 0.577) 6.370 4.513 ( 20.979 0.000 1.249) 21.016 4.562 ( 10.306 0.000 3.864) 11.006 4.766 ( 12.390 0.000 -0.671) 12.408 4.805 ( 23.132 0.000 1.166) 23.162 5.066 ( 8.055 0.000 -7.397) 10.936 5.079 ( 18.305 0.000 1.431) 18.360 5.120 ( -0.654 0.000 7.885) 7.913 5.521 ( 8.499 0.000 -9.242) 12.556 5.787 ( -7.903 0.000 2.354) 8.246 5.926 ( -2.123 0.000 -2.428) 3.225 6.102 ( -6.074 0.000 -0.007) 6.074 6.169 ( -8.240 0.000 1.994) 8.477 6.540 ( 3.533 0.000 3.474) 4.955 6.590 ( 1.473 0.000 -0.842) 1.697 6.687 ( 0.605 0.000 0.941) 1.119 6.870 ( 4.507 0.000 0.200) 4.511 7.016 ( -1.546 0.000 -6.174) 6.365 7.016 ( 3.226 0.000 5.553) 6.422 7.265 ( -3.148 0.000 -3.814) 4.945 7.414 ( 3.228 0.000 3.437) 4.715 7.898 ( -0.501 0.000 -1.270) 1.366 7.966 ( 2.075 0.000 1.460) 2.537 8.002 ( 1.818 0.000 -1.328) 2.252 8.072 ( 3.432 0.000 -1.483) 3.738 8.885 ( 1.481 0.000 2.385) 2.807 8.906 ( -2.187 0.000 -2.441) 3.277 8.961 ( -1.039 0.000 1.229) 1.609 9.039 ( 3.612 0.000 -1.853) 4.060 9.283 ( -3.663 0.000 5.228) 6.384 9.398 ( -5.847 0.000 1.844) 6.131 9.639 ( 3.658 0.000 -0.141) 3.661 9.751 ( 5.716 0.000 -0.585) 5.746 10.426 ( -1.603 0.000 -2.235) 2.750 10.516 ( -1.312 0.000 -1.791) 2.221 10.552 ( 2.433 0.000 1.426) 2.820 10.626 ( 2.351 0.000 1.409) 2.741 ======================= Grid point 127 (66/87) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.999 0.000 -0.213) 5.003 0.843 ( 5.575 0.000 4.427) 7.119 0.956 ( 2.983 0.000 -1.880) 3.526 0.977 ( 6.383 0.000 3.666) 7.361 1.030 ( 1.719 0.000 2.065) 2.687 1.055 ( 0.487 0.000 -2.756) 2.799 1.109 ( 7.014 0.000 -2.962) 7.614 1.122 ( 4.994 0.000 0.680) 5.040 1.162 ( 0.298 0.000 4.426) 4.436 1.186 ( 4.621 0.000 -4.241) 6.272 1.242 ( 5.539 0.000 -0.159) 5.542 1.334 ( 5.472 0.000 -0.932) 5.550 1.413 ( 8.198 0.000 -3.424) 8.884 1.449 ( 2.155 0.000 3.746) 4.321 1.601 ( 5.261 0.000 1.537) 5.481 1.614 ( 1.136 0.000 -1.853) 2.174 1.679 ( 1.299 0.000 0.431) 1.369 1.712 ( 5.581 0.000 -0.909) 5.655 1.722 ( 5.434 0.000 1.236) 5.573 1.836 ( -2.728 0.000 -1.940) 3.348 1.849 ( 7.784 0.000 6.601) 10.206 2.057 ( 2.645 0.000 1.132) 2.877 2.062 ( 5.280 0.000 1.297) 5.437 2.254 ( 0.910 0.000 1.820) 2.035 2.428 ( 2.463 0.000 -2.553) 3.548 2.441 ( 2.172 0.000 6.077) 6.453 2.499 ( 1.330 0.000 3.458) 3.704 2.573 ( 1.287 0.000 -5.180) 5.337 3.025 ( 1.242 0.000 1.146) 1.690 3.034 ( 3.640 0.000 -3.346) 4.945 3.118 ( 3.446 0.000 4.684) 5.815 3.219 ( 4.161 0.000 -6.396) 7.630 3.357 ( 7.510 0.000 3.135) 8.138 3.419 ( 5.677 0.000 -2.107) 6.055 3.490 ( 9.178 0.000 -2.923) 9.633 3.587 ( 6.839 0.000 1.245) 6.951 4.712 ( 4.098 0.000 7.901) 8.900 4.874 ( 7.768 0.000 -5.591) 9.571 4.964 ( 7.352 0.000 -7.327) 10.380 5.058 ( 0.405 0.000 8.424) 8.434 5.297 ( 7.564 0.000 3.362) 8.277 5.392 ( 10.590 0.000 -3.212) 11.066 5.518 ( 10.489 0.000 -3.284) 10.991 5.694 ( 14.373 0.000 5.163) 15.272 5.747 ( 0.812 0.000 -2.742) 2.860 5.888 ( 10.094 0.000 -2.384) 10.372 6.074 ( 5.275 0.000 5.422) 7.565 6.145 ( 13.385 0.000 -3.771) 13.906 6.588 ( 0.949 0.000 0.750) 1.210 6.638 ( 3.218 0.000 0.622) 3.278 6.722 ( 2.199 0.000 0.509) 2.257 6.949 ( 2.082 0.000 -1.402) 2.510 6.977 ( -0.767 0.000 -1.845) 1.998 7.069 ( 1.613 0.000 2.459) 2.941 7.279 ( 4.719 0.000 -1.570) 4.974 7.446 ( 0.297 0.000 3.673) 3.685 7.927 ( 2.997 0.000 -1.631) 3.412 8.000 ( 1.108 0.000 1.558) 1.912 8.046 ( 2.368 0.000 -0.998) 2.570 8.138 ( 2.732 0.000 -1.204) 2.986 8.871 ( -0.845 0.000 -3.054) 3.169 8.907 ( -0.722 0.000 -0.064) 0.725 8.950 ( 0.866 0.000 4.122) 4.212 9.136 ( 5.651 0.000 -1.982) 5.989 9.239 ( -3.037 0.000 -0.727) 3.123 9.357 ( 3.470 0.000 3.582) 4.987 9.656 ( -2.190 0.000 2.304) 3.179 9.803 ( -0.753 0.000 1.567) 1.739 10.437 ( 2.557 0.000 -4.061) 4.799 10.538 ( 3.251 0.000 -3.374) 4.685 10.580 ( 0.130 0.000 2.649) 2.653 10.655 ( 0.392 0.000 2.593) 2.623 ======================= Grid point 128 (67/87) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 3.634 0.000 -0.106) 3.635 0.945 ( 3.500 0.000 2.048) 4.055 1.001 ( 0.596 0.000 -1.721) 1.821 1.007 ( -0.628 0.000 2.577) 2.652 1.094 ( 3.579 0.000 -3.439) 4.963 1.138 ( 0.260 0.000 2.272) 2.286 1.150 ( 3.018 0.000 1.293) 3.283 1.157 ( -0.045 0.000 -0.161) 0.167 1.195 ( 3.075 0.000 -1.113) 3.271 1.268 ( 3.848 0.000 -0.767) 3.924 1.315 ( 0.711 0.000 -0.379) 0.806 1.371 ( -1.261 0.000 1.522) 1.977 1.488 ( 1.370 0.000 2.493) 2.845 1.520 ( 1.399 0.000 -4.861) 5.059 1.633 ( -0.929 0.000 2.826) 2.975 1.663 ( 2.897 0.000 0.313) 2.914 1.749 ( 3.151 0.000 -0.383) 3.174 1.780 ( 1.483 0.000 1.358) 2.011 1.784 ( 0.688 0.000 -2.578) 2.668 1.789 ( -0.705 0.000 1.718) 1.857 2.043 ( 8.258 0.000 -0.614) 8.281 2.172 ( 2.555 0.000 2.009) 3.250 2.183 ( 8.099 0.000 -2.112) 8.370 2.256 ( -0.061 0.000 2.863) 2.864 2.465 ( -0.060 0.000 7.058) 7.058 2.491 ( 3.285 0.000 -2.270) 3.993 2.526 ( 1.260 0.000 5.421) 5.565 2.616 ( 2.616 0.000 -5.823) 6.384 3.053 ( 1.248 0.000 1.438) 1.904 3.103 ( 2.533 0.000 -4.423) 5.097 3.182 ( 2.084 0.000 5.600) 5.976 3.294 ( 2.934 0.000 -6.596) 7.219 3.509 ( 6.070 0.000 2.609) 6.607 3.553 ( 6.207 0.000 -2.950) 6.873 3.692 ( 8.960 0.000 -1.240) 9.045 3.730 ( 5.942 0.000 1.319) 6.087 4.719 ( -2.872 0.000 9.393) 9.822 4.926 ( -0.400 0.000 -12.971) 12.977 5.043 ( 1.045 0.000 1.018) 1.458 5.148 ( 7.403 0.000 5.588) 9.275 5.269 ( -9.255 0.000 -0.008) 9.255 5.327 ( -1.578 0.000 0.061) 1.579 5.472 ( -7.679 0.000 0.343) 7.686 5.607 ( -7.152 0.000 -2.870) 7.706 6.201 ( 10.671 0.000 -2.029) 10.862 6.203 ( 17.350 0.000 1.471) 17.412 6.394 ( 16.851 0.000 2.984) 17.113 6.491 ( 13.585 0.000 0.932) 13.617 6.622 ( 3.971 0.000 -1.555) 4.264 6.729 ( 4.199 0.000 0.602) 4.242 6.758 ( 0.809 0.000 1.395) 1.613 6.902 ( -3.148 0.000 -4.016) 5.103 7.055 ( 4.701 0.000 2.494) 5.322 7.112 ( 2.544 0.000 0.607) 2.615 7.417 ( 6.820 0.000 -0.119) 6.821 7.461 ( 1.640 0.000 2.933) 3.360 7.997 ( 3.108 0.000 -2.036) 3.715 8.016 ( 0.375 0.000 1.410) 1.459 8.107 ( 3.347 0.000 0.801) 3.441 8.185 ( 1.723 0.000 -1.286) 2.150 8.857 ( -0.372 0.000 -3.873) 3.891 8.864 ( -2.719 0.000 0.690) 2.805 8.985 ( 1.651 0.000 4.508) 4.801 9.166 ( -3.152 0.000 -3.050) 4.386 9.284 ( 8.093 0.000 -1.293) 8.196 9.487 ( 7.403 0.000 0.586) 7.426 9.566 ( -5.755 0.000 2.437) 6.250 9.741 ( -4.607 0.000 1.929) 4.994 10.512 ( 4.071 0.000 -4.474) 6.049 10.562 ( -1.938 0.000 3.715) 4.191 10.622 ( 4.079 0.000 -4.144) 5.815 10.648 ( -1.147 0.000 3.699) 3.872 ======================= Grid point 129 (68/87) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.642 0.000 1.156) 2.008 0.966 ( -1.446 0.000 0.305) 1.478 0.987 ( -1.213 0.000 1.630) 2.031 1.020 ( 1.611 0.000 -1.895) 2.487 1.099 ( -1.750 0.000 1.292) 2.175 1.136 ( -0.221 0.000 -0.733) 0.766 1.176 ( -1.731 0.000 0.585) 1.827 1.182 ( 2.387 0.000 -1.398) 2.766 1.276 ( 3.545 0.000 0.192) 3.550 1.281 ( -2.880 0.000 -0.871) 3.009 1.329 ( -2.523 0.000 1.663) 3.021 1.336 ( 2.275 0.000 0.773) 2.403 1.489 ( -1.593 0.000 1.737) 2.356 1.532 ( 0.063 0.000 -2.883) 2.884 1.625 ( 1.084 0.000 3.626) 3.784 1.680 ( -0.121 0.000 -1.498) 1.503 1.763 ( -1.585 0.000 0.535) 1.673 1.777 ( 0.158 0.000 -0.324) 0.361 1.814 ( 1.675 0.000 -0.727) 1.825 1.818 ( 0.911 0.000 -1.338) 1.619 2.134 ( -4.357 0.000 2.291) 4.922 2.180 ( 4.325 0.000 -2.190) 4.848 2.245 ( -2.701 0.000 3.714) 4.592 2.299 ( 1.729 0.000 -1.028) 2.012 2.459 ( -0.801 0.000 5.583) 5.641 2.535 ( -0.911 0.000 6.125) 6.193 2.555 ( 2.763 0.000 -4.692) 5.445 2.653 ( 0.493 0.000 -5.217) 5.240 3.070 ( 0.085 0.000 1.413) 1.415 3.130 ( 0.229 0.000 -4.662) 4.667 3.202 ( -0.538 0.000 5.770) 5.795 3.328 ( 0.324 0.000 -6.124) 6.133 3.580 ( -0.148 0.000 1.949) 1.954 3.634 ( 0.772 0.000 -3.574) 3.657 3.792 ( -1.297 0.000 1.085) 1.691 3.815 ( 1.662 0.000 -1.299) 2.109 4.663 ( -1.655 0.000 11.096) 11.219 4.904 ( 0.090 0.000 -12.728) 12.728 5.077 ( 3.493 0.000 4.023) 5.327 5.137 ( -2.663 0.000 -1.284) 2.956 5.302 ( -0.853 0.000 -0.391) 0.938 5.309 ( -0.426 0.000 -0.974) 1.063 5.357 ( 5.396 0.000 6.698) 8.601 5.492 ( -2.825 0.000 -6.844) 7.404 6.322 ( 2.062 0.000 0.052) 2.062 6.331 ( -1.868 0.000 -0.909) 2.078 6.626 ( -1.374 0.000 1.071) 1.742 6.632 ( 3.936 0.000 0.484) 3.966 6.736 ( -4.156 0.000 0.632) 4.204 6.739 ( 2.655 0.000 0.336) 2.676 6.760 ( 1.233 0.000 2.953) 3.200 6.836 ( -2.409 0.000 -3.599) 4.331 7.112 ( -0.489 0.000 3.440) 3.474 7.145 ( -0.528 0.000 0.534) 0.751 7.492 ( -0.413 0.000 1.476) 1.532 7.507 ( 1.005 0.000 0.281) 1.044 8.011 ( -1.143 0.000 0.943) 1.482 8.042 ( 1.084 0.000 -1.929) 2.213 8.163 ( 1.280 0.000 1.522) 1.989 8.196 ( -1.167 0.000 -1.662) 2.030 8.811 ( -1.788 0.000 1.648) 2.431 8.861 ( 1.012 0.000 -3.396) 3.543 9.021 ( 1.696 0.000 5.300) 5.565 9.105 ( -2.410 0.000 -2.889) 3.762 9.434 ( -6.319 0.000 0.298) 6.326 9.464 ( 8.476 0.000 -2.908) 8.961 9.627 ( -5.849 0.000 0.931) 5.923 9.643 ( 6.969 0.000 -0.804) 7.015 10.504 ( -3.593 0.000 4.438) 5.710 10.587 ( 2.964 0.000 -3.917) 4.912 10.610 ( -2.562 0.000 4.129) 4.860 10.690 ( 2.351 0.000 -4.005) 4.645 ======================= Grid point 130 (69/87) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -3.603 0.000 -0.709) 3.672 0.944 ( -2.407 0.000 1.056) 2.628 0.989 ( 0.519 0.000 2.426) 2.481 1.045 ( 0.573 0.000 -0.818) 0.998 1.050 ( -3.603 0.000 -0.760) 3.682 1.113 ( -1.810 0.000 2.210) 2.857 1.136 ( -1.125 0.000 1.913) 2.219 1.184 ( -4.203 0.000 -2.505) 4.893 1.234 ( 0.444 0.000 -3.134) 3.166 1.247 ( -4.409 0.000 1.498) 4.657 1.310 ( -1.693 0.000 0.310) 1.721 1.363 ( -0.112 0.000 1.914) 1.917 1.447 ( -2.089 0.000 2.441) 3.213 1.526 ( -0.559 0.000 -2.005) 2.081 1.667 ( 0.667 0.000 1.229) 1.398 1.667 ( -1.318 0.000 -0.173) 1.329 1.709 ( -1.817 0.000 2.448) 3.049 1.779 ( -1.334 0.000 -2.915) 3.206 1.789 ( -3.332 0.000 0.188) 3.337 1.833 ( -0.270 0.000 -1.954) 1.973 2.044 ( -3.166 0.000 0.182) 3.171 2.146 ( -5.871 0.000 0.710) 5.914 2.186 ( -4.989 0.000 1.049) 5.098 2.286 ( -1.028 0.000 0.003) 1.028 2.415 ( -3.616 0.000 5.942) 6.956 2.506 ( -1.417 0.000 4.841) 5.044 2.592 ( 0.421 0.000 -5.839) 5.855 2.624 ( -2.694 0.000 -4.033) 4.850 3.052 ( -1.752 0.000 0.759) 1.909 3.115 ( -1.324 0.000 -4.809) 4.988 3.168 ( -2.590 0.000 5.200) 5.809 3.300 ( -2.701 0.000 -5.592) 6.210 3.508 ( -5.816 0.000 1.668) 6.051 3.577 ( -5.496 0.000 -4.118) 6.868 3.669 ( -9.389 0.000 1.102) 9.453 3.763 ( -5.525 0.000 -1.959) 5.862 4.661 ( 0.358 0.000 12.692) 12.697 4.935 ( 1.979 0.000 -12.291) 12.449 5.085 ( -4.265 0.000 -1.717) 4.598 5.202 ( 6.120 0.000 2.949) 6.793 5.276 ( -1.009 0.000 -3.549) 3.689 5.310 ( 4.980 0.000 1.472) 5.193 5.508 ( 3.354 0.000 -3.460) 4.819 5.562 ( 10.273 0.000 1.915) 10.450 6.180 ( -13.256 0.000 0.062) 13.256 6.238 ( -14.094 0.000 -2.018) 14.238 6.438 ( -14.954 0.000 -1.248) 15.006 6.493 ( -16.224 0.000 0.765) 16.242 6.604 ( -4.128 0.000 0.510) 4.160 6.724 ( -3.746 0.000 0.459) 3.774 6.800 ( 1.401 0.000 5.701) 5.871 6.812 ( -0.847 0.000 -3.469) 3.571 7.056 ( -3.338 0.000 5.907) 6.784 7.084 ( -4.355 0.000 -0.099) 4.356 7.414 ( -6.291 0.000 0.120) 6.292 7.493 ( -0.777 0.000 0.045) 0.779 7.964 ( -3.055 0.000 1.025) 3.222 8.044 ( -0.620 0.000 -1.233) 1.380 8.129 ( -4.607 0.000 -1.311) 4.790 8.160 ( -1.321 0.000 1.094) 1.715 8.800 ( 0.523 0.000 2.075) 2.140 8.893 ( 1.734 0.000 -2.269) 2.856 9.057 ( 1.119 0.000 6.106) 6.207 9.060 ( -1.825 0.000 -2.980) 3.494 9.319 ( -3.812 0.000 -3.148) 4.944 9.507 ( -5.192 0.000 -1.108) 5.309 9.622 ( 6.101 0.000 -3.213) 6.895 9.770 ( 4.732 0.000 -0.997) 4.836 10.421 ( -3.988 0.000 4.518) 6.026 10.546 ( -3.445 0.000 3.551) 4.948 10.629 ( 1.009 0.000 -2.986) 3.152 10.717 ( 0.321 0.000 -3.301) 3.316 ======================= Grid point 131 (70/87) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -4.774 0.000 -0.720) 4.828 0.870 ( -5.151 0.000 1.209) 5.291 0.957 ( -3.896 0.000 2.292) 4.520 0.998 ( -0.547 0.000 -0.082) 0.553 1.001 ( -6.325 0.000 1.833) 6.586 1.069 ( -4.962 0.000 -1.640) 5.226 1.080 ( -1.482 0.000 -1.416) 2.049 1.088 ( -4.481 0.000 3.441) 5.650 1.166 ( -4.742 0.000 -1.905) 5.111 1.227 ( -4.390 0.000 1.487) 4.635 1.242 ( -0.841 0.000 -3.122) 3.233 1.289 ( -7.356 0.000 2.244) 7.691 1.359 ( -6.548 0.000 1.615) 6.744 1.484 ( -3.045 0.000 -0.544) 3.094 1.609 ( -2.891 0.000 -1.221) 3.138 1.612 ( -5.998 0.000 0.292) 6.005 1.695 ( -3.394 0.000 -0.099) 3.396 1.715 ( -3.748 0.000 2.835) 4.699 1.726 ( -1.958 0.000 -3.231) 3.778 1.792 ( -0.958 0.000 1.276) 1.596 1.982 ( -3.325 0.000 -5.303) 6.259 2.030 ( -7.544 0.000 5.022) 9.063 2.075 ( 0.245 0.000 -0.850) 0.885 2.247 ( -3.319 0.000 2.527) 4.171 2.339 ( -2.919 0.000 6.213) 6.865 2.493 ( -0.034 0.000 2.916) 2.917 2.547 ( -3.202 0.000 -3.974) 5.104 2.574 ( -2.611 0.000 -4.707) 5.383 3.013 ( -1.427 0.000 -0.940) 1.709 3.080 ( -1.626 0.000 -4.361) 4.654 3.108 ( -2.966 0.000 4.099) 5.060 3.216 ( -4.909 0.000 -4.633) 6.751 3.376 ( -5.955 0.000 2.319) 6.390 3.435 ( -6.917 0.000 -4.701) 8.363 3.447 ( -10.598 0.000 1.524) 10.707 3.624 ( -6.866 0.000 -2.332) 7.252 4.660 ( -1.370 0.000 12.199) 12.276 4.899 ( -6.154 0.000 -10.912) 12.528 4.944 ( -9.708 0.000 -1.687) 9.853 5.215 ( -3.927 0.000 -5.715) 6.934 5.306 ( -3.934 0.000 4.732) 6.154 5.378 ( -5.106 0.000 -4.450) 6.773 5.473 ( -13.264 0.000 -0.552) 13.276 5.669 ( -11.742 0.000 4.579) 12.603 5.820 ( -12.019 0.000 -6.859) 13.839 5.848 ( -6.113 0.000 2.928) 6.778 6.077 ( -13.411 0.000 2.524) 13.646 6.152 ( -6.270 0.000 -2.681) 6.819 6.601 ( 1.689 0.000 -0.154) 1.696 6.638 ( -3.771 0.000 0.144) 3.774 6.775 ( -2.433 0.000 -4.109) 4.775 6.815 ( -0.164 0.000 8.417) 8.418 6.997 ( -3.633 0.000 -0.639) 3.689 7.028 ( 0.833 0.000 6.300) 6.354 7.274 ( -6.059 0.000 -1.023) 6.145 7.494 ( 0.259 0.000 -0.721) 0.766 7.898 ( -2.757 0.000 0.978) 2.925 8.020 ( -1.559 0.000 -0.250) 1.579 8.035 ( -3.573 0.000 -0.135) 3.576 8.118 ( -2.674 0.000 0.635) 2.748 8.822 ( 1.309 0.000 2.059) 2.440 8.916 ( 0.349 0.000 -1.084) 1.139 9.028 ( -0.922 0.000 -3.613) 3.728 9.050 ( -1.958 0.000 4.549) 4.953 9.302 ( 2.443 0.000 -4.787) 5.375 9.425 ( -1.923 0.000 -3.261) 3.785 9.695 ( 0.284 0.000 -1.611) 1.636 9.824 ( -0.250 0.000 -0.564) 0.617 10.363 ( -0.959 0.000 3.217) 3.357 10.484 ( -1.897 0.000 2.122) 2.846 10.626 ( -1.174 0.000 -1.949) 2.275 10.703 ( -1.505 0.000 -2.244) 2.702 ======================= Grid point 132 (71/87) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -16.954 0.000 4.780) 17.614 0.675 ( -12.212 0.000 -0.826) 12.240 0.833 ( -9.045 0.000 0.913) 9.091 0.860 ( -6.770 0.000 3.653) 7.692 0.882 ( -8.658 0.000 -1.394) 8.769 0.957 ( -8.673 0.000 -0.282) 8.677 0.969 ( -3.723 0.000 -1.288) 3.940 1.007 ( -1.291 0.000 0.673) 1.456 1.049 ( -3.156 0.000 0.843) 3.267 1.108 ( -4.819 0.000 -0.047) 4.819 1.187 ( -0.536 0.000 -2.401) 2.460 1.230 ( -1.667 0.000 -1.836) 2.480 1.263 ( -1.470 0.000 2.251) 2.689 1.404 ( -6.411 0.000 -2.053) 6.732 1.486 ( -0.994 0.000 1.633) 1.912 1.534 ( -5.261 0.000 -0.837) 5.327 1.583 ( -3.982 0.000 3.395) 5.233 1.595 ( -4.200 0.000 -3.012) 5.168 1.776 ( 4.310 0.000 -3.789) 5.739 1.810 ( 0.031 0.000 4.527) 4.527 1.907 ( -4.313 0.000 8.038) 9.122 1.944 ( -0.155 0.000 -4.488) 4.490 2.098 ( 1.476 0.000 -2.236) 2.679 2.149 ( -5.518 0.000 5.053) 7.482 2.307 ( -0.609 0.000 5.069) 5.105 2.489 ( -1.008 0.000 2.164) 2.387 2.490 ( -4.557 0.000 -5.392) 7.060 2.495 ( -1.440 0.000 -3.282) 3.583 3.001 ( 0.236 0.000 -1.937) 1.951 3.048 ( -1.168 0.000 -3.120) 3.331 3.054 ( -2.119 0.000 2.325) 3.145 3.101 ( -5.129 0.000 -3.108) 5.998 3.241 ( -7.661 0.000 3.545) 8.441 3.293 ( -2.216 0.000 2.375) 3.248 3.307 ( -4.563 0.000 -5.566) 7.197 3.481 ( -6.544 0.000 -2.317) 6.942 4.532 ( -14.270 0.000 2.095) 14.423 4.603 ( -22.034 0.000 -0.343) 22.036 4.721 ( -4.949 0.000 0.295) 4.957 4.823 ( -19.131 0.000 0.072) 19.132 4.990 ( -21.936 0.000 1.393) 21.980 5.116 ( -10.112 0.000 -5.074) 11.313 5.338 ( -11.039 0.000 9.338) 14.459 5.340 ( 2.575 0.000 -12.306) 12.573 5.834 ( 5.640 0.000 -2.554) 6.191 5.862 ( 3.555 0.000 3.350) 4.885 6.123 ( 8.345 0.000 -1.748) 8.526 6.185 ( 4.875 0.000 -0.126) 4.877 6.557 ( -4.014 0.000 2.174) 4.564 6.617 ( -0.980 0.000 -3.284) 3.427 6.730 ( -0.526 0.000 -2.896) 2.943 6.793 ( -2.806 0.000 7.811) 8.300 6.937 ( -1.364 0.000 1.440) 1.984 7.077 ( 1.649 0.000 1.059) 1.960 7.192 ( 0.148 0.000 1.549) 1.556 7.471 ( -2.926 0.000 -1.735) 3.402 7.871 ( 0.509 0.000 1.120) 1.230 7.982 ( -1.973 0.000 0.160) 1.979 7.990 ( -0.644 0.000 -0.184) 0.670 8.049 ( -3.601 0.000 0.581) 3.648 8.850 ( 0.953 0.000 3.025) 3.172 8.914 ( -0.035 0.000 -1.113) 1.114 9.005 ( -1.873 0.000 1.311) 2.287 9.017 ( -0.318 0.000 -3.682) 3.696 9.395 ( 5.841 0.000 -5.901) 8.303 9.445 ( 4.175 0.000 -2.591) 4.914 9.627 ( -6.375 0.000 0.941) 6.444 9.737 ( -7.758 0.000 0.700) 7.790 10.394 ( 3.393 0.000 1.058) 3.555 10.487 ( 2.185 0.000 1.157) 2.472 10.578 ( -3.318 0.000 -1.082) 3.489 10.653 ( -3.113 0.000 -1.242) 3.352 ======================= Grid point 133 (72/87) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 2.203 -1.505 2.134) 3.416 0.383 ( -0.291 -2.414 -1.494) 2.854 0.691 ( -0.371 -1.545 3.279) 3.643 0.725 ( 0.861 -1.429 -0.001) 1.668 0.747 ( -3.171 -3.356 2.320) 5.167 0.773 ( 0.823 -3.448 0.356) 3.563 0.957 ( 0.611 -0.305 4.052) 4.109 0.998 ( 3.212 0.592 0.573) 3.316 1.028 ( -1.644 -1.481 -2.256) 3.160 1.046 ( -0.480 1.615 -2.846) 3.307 1.209 ( -1.039 0.594 0.665) 1.369 1.233 ( 0.382 0.570 -0.550) 0.879 1.290 ( -0.768 0.700 0.101) 1.044 1.315 ( -0.781 2.391 -1.310) 2.836 1.502 ( 1.561 1.549 2.112) 3.049 1.523 ( 0.299 1.711 -0.120) 1.741 1.562 ( -2.922 3.659 1.624) 4.956 1.609 ( 1.617 4.278 -2.844) 5.386 1.758 ( -2.721 -1.021 4.173) 5.085 1.822 ( 1.762 -1.690 -0.452) 2.483 1.894 ( -0.831 3.110 5.140) 6.065 1.981 ( 0.299 2.034 -1.188) 2.374 2.047 ( -1.899 -0.823 3.880) 4.397 2.100 ( 1.509 -3.704 -0.747) 4.069 2.338 ( 1.427 2.171 4.403) 5.112 2.429 ( -1.288 -1.382 0.708) 2.018 2.438 ( -0.017 1.578 -3.192) 3.561 2.495 ( 0.632 -1.050 -4.809) 4.962 2.987 ( -1.595 -0.749 0.883) 1.971 3.006 ( -1.229 -1.050 1.150) 1.984 3.013 ( 0.601 0.084 -1.042) 1.206 3.051 ( 1.376 -1.271 -2.747) 3.325 3.152 ( -0.578 0.765 3.081) 3.227 3.213 ( 0.501 -2.524 -1.933) 3.218 3.354 ( 1.819 1.886 -1.298) 2.925 3.377 ( -1.577 0.899 -3.350) 3.810 4.301 ( -1.777 2.248 3.444) 4.480 4.375 ( 1.031 1.417 -3.216) 3.662 4.588 ( -1.875 -0.470 2.231) 2.953 4.639 ( 0.034 -0.717 -2.442) 2.545 4.862 ( 3.061 5.452 6.023) 8.681 5.003 ( -0.166 -0.512 -7.599) 7.618 5.181 ( -4.163 -0.733 6.404) 7.674 5.329 ( 1.909 -6.511 -8.231) 10.667 5.959 ( 0.137 3.044 0.018) 3.047 5.968 ( 0.817 6.003 -0.883) 6.122 6.145 ( -2.450 -5.518 4.107) 7.302 6.221 ( 2.801 -4.009 -3.454) 5.987 6.526 ( -1.487 2.304 2.577) 3.763 6.576 ( -0.522 -0.550 -1.968) 2.109 6.722 ( -2.557 0.619 1.708) 3.137 6.759 ( 2.094 -1.055 -1.629) 2.855 6.987 ( 2.340 2.912 4.082) 5.533 7.057 ( -1.059 0.087 -2.815) 3.009 7.310 ( 5.198 1.072 3.010) 6.102 7.364 ( -4.007 -0.811 -1.949) 4.529 7.919 ( 2.499 0.707 1.190) 2.857 7.939 ( -2.394 0.323 -0.737) 2.525 7.976 ( -0.611 -1.231 0.215) 1.391 7.987 ( 1.337 -1.788 -0.954) 2.428 8.879 ( 1.273 1.469 2.582) 3.232 8.930 ( 0.111 0.580 -2.388) 2.460 8.964 ( 0.296 -1.464 0.200) 1.507 8.991 ( -1.099 -1.358 -2.459) 3.016 9.451 ( -8.698 1.155 4.492) 9.857 9.515 ( -0.957 -0.872 -0.561) 1.411 9.561 ( -0.671 0.830 -0.658) 1.254 9.593 ( 6.742 0.063 -2.593) 7.224 10.482 ( 3.072 0.212 0.430) 3.109 10.494 ( -2.017 -0.095 -0.775) 2.163 10.557 ( 2.061 0.010 0.736) 2.189 10.572 ( -3.065 -0.465 -0.764) 3.193 ======================= Grid point 134 (73/87) ======================= q-point: ( 0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 8.383 -4.794 3.225) 10.181 0.641 ( 11.259 -4.375 0.053) 12.080 0.774 ( 7.699 -1.378 1.981) 8.068 0.848 ( 13.953 1.318 1.544) 14.100 0.873 ( 11.058 -1.583 1.484) 11.269 0.940 ( 12.872 -2.823 -0.115) 13.179 0.994 ( 3.137 -0.209 1.394) 3.439 1.015 ( 0.430 -1.282 -2.186) 2.570 1.057 ( 1.898 4.186 -3.067) 5.526 1.129 ( 7.542 1.661 0.027) 7.723 1.207 ( 1.440 2.308 0.950) 2.881 1.228 ( -0.777 -1.552 0.748) 1.890 1.337 ( 3.362 2.574 -0.838) 4.316 1.348 ( 5.148 0.185 1.332) 5.321 1.505 ( 0.229 0.452 -0.277) 0.578 1.549 ( 3.140 1.301 1.559) 3.739 1.576 ( 4.461 0.246 -0.830) 4.544 1.653 ( -0.064 -0.685 1.030) 1.239 1.717 ( 0.670 3.346 0.750) 3.494 1.827 ( -0.195 1.677 3.831) 4.186 1.891 ( -0.445 1.900 0.864) 2.134 1.995 ( 0.931 0.413 1.397) 1.729 2.038 ( 1.254 0.508 3.118) 3.399 2.164 ( 3.772 -3.809 0.722) 5.409 2.387 ( 0.990 1.175 3.145) 3.500 2.419 ( 2.316 1.318 -1.253) 2.944 2.473 ( 1.824 1.148 0.276) 2.173 2.526 ( 1.466 -2.454 -4.389) 5.238 2.984 ( 1.327 0.311 0.976) 1.676 3.002 ( 1.076 -0.104 1.813) 2.110 3.054 ( 3.195 0.676 0.021) 3.266 3.116 ( 4.315 -1.393 -4.583) 6.447 3.212 ( 5.498 0.348 2.832) 6.194 3.283 ( 5.816 -2.647 -1.560) 6.577 3.373 ( 2.384 2.175 -2.855) 4.309 3.450 ( 5.142 -0.482 -1.215) 5.306 4.541 ( 21.110 2.736 2.104) 21.390 4.626 ( 12.333 5.162 -0.505) 13.379 4.713 ( 15.042 -3.167 2.397) 15.558 4.831 ( 17.828 0.012 -1.318) 17.876 5.060 ( 6.177 -0.178 -1.485) 6.356 5.105 ( 18.346 0.930 -3.314) 18.666 5.122 ( 2.006 2.125 6.385) 7.022 5.411 ( 6.624 -8.512 -3.397) 11.308 5.848 ( -7.127 3.557 -0.603) 7.988 5.964 ( -5.155 2.024 0.066) 5.539 6.031 ( -4.184 -2.465 0.623) 4.895 6.177 ( -6.035 -1.281 -1.804) 6.428 6.546 ( 2.589 0.617 2.823) 3.880 6.584 ( 1.103 -0.643 -0.005) 1.276 6.703 ( 0.747 1.569 0.598) 1.838 6.821 ( 3.505 -3.729 0.044) 5.118 7.032 ( -0.272 1.848 -1.276) 2.263 7.051 ( 1.878 1.670 0.584) 2.580 7.292 ( -1.765 2.457 -2.753) 4.090 7.397 ( 2.460 -1.658 2.531) 3.900 7.907 ( -0.041 0.973 -1.210) 1.554 7.963 ( 1.421 -0.489 0.749) 1.680 7.991 ( 2.279 -0.547 -0.539) 2.405 8.047 ( 3.295 -2.131 -0.734) 3.992 8.894 ( -1.796 0.512 -1.301) 2.276 8.925 ( 2.231 2.629 0.326) 3.464 8.960 ( -1.075 -0.989 -0.341) 1.500 9.031 ( 4.543 -0.911 -1.965) 5.033 9.292 ( -4.848 1.324 5.552) 7.489 9.383 ( -5.834 -1.518 2.772) 6.635 9.657 ( 3.707 1.660 -0.235) 4.069 9.737 ( 5.136 -1.417 -0.614) 5.363 10.439 ( -1.345 1.129 -2.252) 2.856 10.498 ( -0.800 -1.402 -1.822) 2.434 10.568 ( 1.996 1.135 1.383) 2.680 10.615 ( 2.283 -0.972 1.527) 2.913 ======================= Grid point 135 (74/87) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 5.569 -3.714 2.625) 7.191 0.780 ( 4.701 -5.161 2.608) 7.452 0.929 ( 4.906 -1.657 1.088) 5.291 0.993 ( 1.502 -3.264 -0.344) 3.610 1.029 ( 3.981 0.581 2.534) 4.755 1.077 ( 3.764 4.445 -0.800) 5.880 1.128 ( 4.515 1.242 -1.424) 4.895 1.135 ( 6.106 1.403 -0.972) 6.340 1.169 ( 4.923 -0.008 -2.163) 5.377 1.208 ( 0.627 0.993 2.263) 2.550 1.271 ( 3.757 1.905 0.047) 4.213 1.304 ( 7.541 -1.494 -0.743) 7.723 1.437 ( 2.724 0.061 2.811) 3.915 1.441 ( 5.761 1.518 -2.401) 6.423 1.550 ( 2.469 -2.255 -1.045) 3.503 1.644 ( 2.755 -2.930 1.464) 4.280 1.663 ( 4.845 1.986 1.323) 5.401 1.721 ( 6.940 -0.234 0.788) 6.988 1.754 ( 1.348 3.407 -2.097) 4.221 1.833 ( -0.864 -0.022 -1.732) 1.936 1.908 ( 5.259 4.426 4.516) 8.224 2.029 ( 3.066 -1.174 1.558) 3.634 2.107 ( 5.089 2.691 2.317) 6.206 2.236 ( 2.722 -2.117 2.239) 4.112 2.404 ( 1.291 0.074 1.174) 1.747 2.467 ( 1.513 0.242 1.566) 2.191 2.507 ( 1.355 0.814 2.487) 2.947 2.551 ( 1.550 -1.790 -4.193) 4.815 3.028 ( 1.764 0.546 1.953) 2.688 3.042 ( 2.887 0.240 0.710) 2.983 3.135 ( 4.004 1.687 0.138) 4.347 3.209 ( 4.307 -1.029 -6.280) 7.684 3.360 ( 7.759 0.567 2.451) 8.156 3.434 ( 7.635 -0.397 -0.739) 7.681 3.466 ( 6.818 0.010 -1.961) 7.095 3.573 ( 6.613 -1.740 -0.485) 6.855 4.762 ( 3.290 4.527 2.542) 6.146 4.904 ( 6.766 1.709 -4.798) 8.469 4.954 ( 8.667 -0.398 -2.650) 9.072 5.050 ( 0.535 -1.440 7.128) 7.291 5.281 ( 10.617 -0.014 3.367) 11.138 5.390 ( 5.763 -0.735 -1.151) 5.922 5.529 ( 11.071 1.696 -4.040) 11.906 5.678 ( 21.057 -2.849 2.890) 21.444 5.749 ( -2.551 0.445 1.058) 2.797 5.864 ( 9.365 -2.510 -1.302) 9.783 6.060 ( 7.294 0.729 1.757) 7.538 6.146 ( 9.791 -0.768 -2.595) 10.158 6.585 ( 0.994 -0.034 0.802) 1.278 6.621 ( 2.528 -1.409 0.794) 3.001 6.740 ( 2.164 1.858 -0.194) 2.858 6.893 ( 2.269 -4.535 -1.581) 5.311 7.017 ( 0.336 3.258 -0.002) 3.275 7.084 ( 1.347 0.674 1.538) 2.153 7.315 ( 3.864 2.945 -1.552) 5.100 7.426 ( 0.736 -1.859 2.358) 3.092 7.940 ( 2.842 1.185 -1.711) 3.523 7.993 ( 1.323 -0.748 0.566) 1.622 8.041 ( 2.447 -0.020 0.177) 2.454 8.112 ( 2.729 -2.313 -0.489) 3.611 8.864 ( -0.826 0.438 -1.137) 1.472 8.921 ( -1.737 -0.311 -1.146) 2.104 8.989 ( 2.234 3.819 1.308) 4.614 9.138 ( 5.163 -0.743 -4.534) 6.911 9.232 ( -2.178 0.397 2.913) 3.659 9.335 ( 2.571 -2.103 3.698) 4.970 9.677 ( -1.901 1.980 2.193) 3.513 9.780 ( -0.945 -2.084 1.634) 2.811 10.452 ( 2.574 1.378 -3.957) 4.917 10.520 ( 2.766 -1.461 -3.140) 4.432 10.597 ( 0.623 1.241 2.278) 2.668 10.646 ( 0.522 -0.896 2.587) 2.787 ======================= Grid point 136 (75/87) ======================= q-point: ( 0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 3.704 -3.510 2.436) 5.654 0.875 ( 3.642 -4.790 3.604) 7.014 0.969 ( 0.367 -2.381 -1.462) 2.818 0.994 ( -0.616 -2.693 -0.507) 2.808 1.130 ( 3.164 2.526 0.751) 4.118 1.149 ( 2.318 1.476 2.011) 3.405 1.173 ( 0.852 1.474 -0.825) 1.892 1.183 ( 0.055 2.214 -1.865) 2.896 1.226 ( 2.321 1.690 0.520) 2.918 1.257 ( 3.369 -1.374 -0.923) 3.754 1.326 ( 1.132 1.392 -0.089) 1.797 1.377 ( -0.301 0.176 0.831) 0.901 1.483 ( 1.924 -0.135 2.305) 3.006 1.522 ( 1.577 -0.394 -3.447) 3.811 1.608 ( 2.318 -0.288 1.625) 2.845 1.683 ( -0.083 -0.138 0.973) 0.986 1.742 ( 2.327 -0.522 1.188) 2.665 1.777 ( 1.463 1.743 -1.607) 2.785 1.785 ( -1.116 -0.332 -0.194) 1.180 1.817 ( 1.278 0.694 -0.762) 1.642 2.078 ( 7.622 3.007 -0.631) 8.218 2.142 ( 5.642 -0.654 -0.628) 5.714 2.230 ( 5.232 1.975 2.024) 5.947 2.269 ( 0.548 0.798 2.675) 2.845 2.442 ( 1.424 -1.005 4.630) 4.947 2.484 ( 0.740 -1.223 1.551) 2.109 2.543 ( 1.821 1.269 2.258) 3.166 2.599 ( 2.855 -1.471 -5.355) 6.244 3.061 ( 1.322 0.829 2.475) 2.926 3.099 ( 1.998 -0.490 0.794) 2.205 3.205 ( 2.321 2.054 0.155) 3.104 3.284 ( 2.855 -1.021 -6.366) 7.051 3.518 ( 6.432 1.151 2.225) 6.902 3.581 ( 6.043 2.606 -2.769) 7.140 3.638 ( 7.896 -3.915 0.886) 8.858 3.716 ( 6.102 -2.185 -1.294) 6.610 4.772 ( -1.654 4.769 4.896) 7.032 4.953 ( -0.338 0.353 -10.787) 10.798 5.031 ( 0.766 0.535 3.949) 4.058 5.143 ( 6.416 -0.888 4.626) 7.959 5.252 ( -8.265 -0.522 0.310) 8.288 5.329 ( -2.431 -0.684 3.293) 4.149 5.488 ( -7.316 2.048 -2.329) 7.947 5.603 ( -6.735 -0.946 -3.128) 7.486 6.194 ( 13.667 0.153 -0.230) 13.669 6.221 ( 17.010 0.864 0.444) 17.038 6.360 ( 13.915 -2.388 2.648) 14.365 6.450 ( 12.626 -3.847 1.285) 13.261 6.623 ( 3.892 0.765 -1.092) 4.114 6.701 ( 4.546 -2.238 -0.033) 5.067 6.771 ( 0.424 1.468 0.153) 1.535 6.880 ( -2.302 -2.316 -3.493) 4.782 7.087 ( 4.728 2.645 3.096) 6.240 7.132 ( 3.013 1.179 1.706) 3.658 7.428 ( 5.842 0.863 -0.945) 5.980 7.455 ( 2.298 -0.511 1.548) 2.818 8.003 ( 2.680 0.444 -1.953) 3.346 8.015 ( 0.588 -0.045 0.949) 1.118 8.103 ( 3.288 -0.145 0.963) 3.429 8.161 ( 1.931 -2.086 -0.735) 2.936 8.850 ( -0.665 0.340 -0.799) 1.094 8.878 ( -2.099 0.265 -0.538) 2.183 9.021 ( 0.978 3.109 1.774) 3.711 9.147 ( -2.445 -1.903 -3.269) 4.504 9.306 ( 7.614 2.306 -0.128) 7.956 9.448 ( 6.210 -3.227 0.555) 7.021 9.600 ( -4.467 2.686 2.327) 5.708 9.717 ( -4.533 -2.211 1.986) 5.420 10.523 ( 3.581 0.987 -3.922) 5.402 10.559 ( -0.584 -0.358 1.725) 1.856 10.624 ( 2.857 0.232 -2.249) 3.643 10.643 ( -0.761 -0.468 3.196) 3.319 ======================= Grid point 137 (76/87) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.044 -3.534 4.228) 5.510 0.913 ( 0.218 -4.367 3.706) 5.732 0.968 ( -0.987 -1.858 -2.228) 3.064 0.990 ( 1.238 -2.594 -3.148) 4.262 1.130 ( -1.162 2.153 3.155) 3.992 1.159 ( -0.832 0.159 1.507) 1.728 1.189 ( -0.317 2.193 -0.649) 2.309 1.214 ( 1.694 2.373 -2.988) 4.175 1.262 ( -0.431 -1.212 0.785) 1.507 1.284 ( 0.556 -0.221 -0.778) 0.981 1.349 ( -1.259 1.518 0.859) 2.151 1.356 ( 0.920 1.279 0.528) 1.662 1.495 ( -0.850 0.763 2.143) 2.429 1.538 ( -0.127 0.096 -1.751) 1.759 1.631 ( 1.048 0.802 2.497) 2.824 1.670 ( -0.517 -0.637 -0.943) 1.250 1.755 ( -0.433 0.019 -0.562) 0.709 1.778 ( 0.822 -0.280 -1.876) 2.067 1.817 ( 0.034 0.365 -0.298) 0.473 1.830 ( 0.989 0.216 -1.244) 1.604 2.153 ( -3.450 2.057 2.313) 4.635 2.179 ( 0.962 0.375 0.135) 1.041 2.287 ( 0.822 2.641 0.988) 2.937 2.306 ( 0.983 0.653 -0.015) 1.180 2.444 ( -0.848 -1.035 5.225) 5.394 2.505 ( -0.201 -2.540 3.818) 4.590 2.576 ( 1.405 1.555 -2.855) 3.541 2.640 ( 0.702 -1.160 -4.787) 4.975 3.079 ( 0.095 0.845 2.475) 2.617 3.121 ( 0.051 -0.799 0.561) 0.978 3.227 ( -0.293 2.258 0.272) 2.293 3.317 ( 0.278 -1.190 -5.932) 6.056 3.597 ( 0.087 1.774 2.078) 2.733 3.655 ( 0.443 2.021 -3.765) 4.296 3.740 ( 0.176 -4.155 1.885) 4.566 3.785 ( 0.070 -2.970 -2.674) 3.997 4.739 ( -1.280 6.573 8.557) 10.866 4.921 ( -1.047 0.794 -9.746) 9.834 5.066 ( 3.873 -1.069 3.542) 5.356 5.108 ( -2.652 -2.177 -0.341) 3.448 5.298 ( 4.786 0.175 1.310) 4.965 5.339 ( -2.898 0.565 2.533) 3.890 5.361 ( 3.388 2.047 0.393) 3.978 5.483 ( -3.524 -1.213 -6.389) 7.396 6.343 ( 2.240 2.230 0.407) 3.187 6.357 ( -1.659 2.733 -0.986) 3.346 6.556 ( 3.706 -6.485 1.252) 7.574 6.569 ( -1.479 -5.529 0.069) 5.724 6.727 ( 0.081 0.467 0.808) 0.937 6.737 ( -1.115 0.386 -0.368) 1.236 6.767 ( 1.025 0.003 2.218) 2.443 6.824 ( -2.524 -1.473 -3.057) 4.229 7.146 ( -0.253 2.604 3.985) 4.767 7.172 ( -0.441 1.746 1.659) 2.449 7.490 ( -0.472 0.036 0.785) 0.917 7.508 ( 0.736 -0.145 -0.807) 1.102 8.013 ( -1.026 0.301 0.987) 1.455 8.039 ( 0.647 -0.354 -1.570) 1.735 8.156 ( 1.011 -0.519 1.030) 1.534 8.180 ( -0.575 -1.355 -1.360) 2.004 8.826 ( -1.251 1.240 1.460) 2.288 8.859 ( 0.572 -0.174 -1.571) 1.680 9.041 ( 1.024 1.704 2.915) 3.529 9.099 ( -1.896 -0.686 -2.317) 3.071 9.447 ( -4.007 1.187 0.453) 4.204 9.474 ( 5.421 0.719 -2.453) 5.994 9.612 ( -3.272 -1.213 0.845) 3.590 9.628 ( 5.149 -1.356 -0.916) 5.402 10.514 ( -3.221 0.983 4.126) 5.326 10.568 ( -0.336 -1.342 0.761) 1.579 10.632 ( 0.485 1.488 -0.517) 1.649 10.683 ( 2.210 -0.739 -3.729) 4.397 ======================= Grid point 138 (77/87) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.461 -3.838 1.999) 5.541 0.882 ( -3.221 -4.818 2.547) 6.331 0.964 ( 0.411 -1.252 -0.208) 1.335 1.008 ( 0.176 -3.130 -2.840) 4.230 1.091 ( -3.132 2.862 3.690) 5.623 1.142 ( -0.848 0.407 2.955) 3.101 1.162 ( -2.284 2.748 -0.812) 3.664 1.207 ( -2.075 1.822 -2.235) 3.552 1.246 ( -4.515 -0.577 0.180) 4.555 1.247 ( 0.113 0.589 -1.481) 1.598 1.329 ( -1.080 1.718 -0.481) 2.085 1.366 ( -0.397 0.104 1.863) 1.908 1.462 ( -2.372 1.502 2.388) 3.686 1.523 ( -0.975 -0.440 -1.911) 2.190 1.639 ( -2.604 -0.860 -0.616) 2.810 1.665 ( 0.048 -1.155 3.222) 3.423 1.734 ( -0.869 1.834 -0.477) 2.085 1.784 ( -1.207 -0.427 -1.129) 1.707 1.795 ( -1.641 1.157 -2.083) 2.893 1.836 ( -1.040 -0.306 -1.286) 1.681 2.068 ( -3.493 2.412 0.656) 4.295 2.122 ( -5.044 -0.717 0.325) 5.105 2.244 ( -6.067 2.850 1.795) 6.939 2.298 ( -0.772 1.606 -0.183) 1.791 2.414 ( -2.264 -0.529 3.694) 4.365 2.466 ( -2.811 -3.134 5.828) 7.189 2.594 ( 0.089 0.325 -5.371) 5.381 2.621 ( -2.001 -0.462 -3.740) 4.266 3.062 ( -1.696 0.922 1.956) 2.748 3.104 ( -1.556 -0.831 0.817) 1.945 3.196 ( -2.460 2.392 -0.549) 3.475 3.289 ( -2.720 -1.214 -5.473) 6.231 3.523 ( -6.202 1.551 1.414) 6.547 3.596 ( -5.296 1.924 -3.857) 6.828 3.636 ( -8.680 -2.917 0.957) 9.207 3.726 ( -5.204 -3.241 -2.174) 6.505 4.725 ( -0.488 5.614 9.055) 10.665 4.912 ( -0.534 -1.947 -6.111) 6.435 5.115 ( 1.164 1.327 -3.725) 4.122 5.193 ( 2.916 -4.090 0.797) 5.086 5.246 ( 0.986 4.313 0.262) 4.432 5.390 ( 2.928 3.695 -3.221) 5.710 5.454 ( 4.515 -3.041 0.955) 5.527 5.565 ( 9.436 -1.054 0.052) 9.495 6.192 ( -14.269 1.397 -0.434) 14.344 6.253 ( -15.137 1.060 -2.296) 15.347 6.400 ( -13.597 -2.826 -0.999) 13.923 6.470 ( -13.897 -3.089 -0.849) 14.261 6.600 ( -4.549 0.939 1.551) 4.897 6.687 ( -3.519 -2.683 0.978) 4.532 6.793 ( 0.054 -0.534 1.378) 1.479 6.807 ( 0.703 -0.764 0.390) 1.109 7.089 ( -3.947 2.598 5.141) 6.983 7.110 ( -4.527 1.892 1.204) 5.052 7.416 ( -5.690 0.422 0.298) 5.713 7.479 ( -1.971 -1.465 -0.705) 2.555 7.969 ( -2.837 0.652 1.253) 3.169 8.030 ( -1.422 -1.457 -0.381) 2.071 8.125 ( -3.340 -0.010 -1.310) 3.588 8.152 ( -1.590 -0.751 0.103) 1.761 8.819 ( 0.410 1.664 1.736) 2.439 8.885 ( 1.484 -0.852 -0.723) 1.858 9.064 ( -0.522 0.442 1.003) 1.214 9.065 ( -0.158 0.438 0.788) 0.915 9.341 ( -3.861 2.155 -2.719) 5.190 9.471 ( -4.220 -3.048 -1.461) 5.407 9.648 ( 5.156 2.206 -2.601) 6.182 9.749 ( 4.702 -1.942 -1.204) 5.228 10.438 ( -3.807 1.530 4.355) 5.983 10.521 ( -3.178 -1.993 3.429) 5.082 10.650 ( 0.537 1.654 -2.748) 3.252 10.708 ( 0.295 -0.862 -3.225) 3.351 ======================= Grid point 139 (78/87) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -4.650 -4.433 0.425) 6.439 0.794 ( -5.281 -5.441 1.965) 7.833 0.954 ( -3.229 -1.500 0.803) 3.650 0.981 ( -2.837 -2.303 -0.337) 3.670 1.000 ( -5.121 3.120 3.726) 7.060 1.076 ( -4.850 1.193 -0.771) 5.054 1.102 ( -3.600 0.435 2.882) 4.632 1.139 ( -5.924 -1.244 -2.220) 6.448 1.158 ( -3.604 3.733 -1.366) 5.366 1.232 ( -2.629 0.111 -0.057) 2.632 1.278 ( -5.164 1.777 -0.328) 5.471 1.303 ( -3.877 0.801 -0.922) 4.065 1.387 ( -4.145 3.598 2.311) 5.956 1.482 ( -3.433 -0.278 -1.531) 3.769 1.541 ( -5.304 -2.032 0.030) 5.680 1.644 ( -0.593 -3.738 1.590) 4.105 1.699 ( -5.652 2.585 -1.555) 6.407 1.724 ( -5.196 1.404 -0.515) 5.407 1.745 ( -1.500 0.792 -0.528) 1.777 1.791 ( -0.749 -0.177 1.311) 1.520 2.003 ( -3.020 1.700 -3.617) 5.009 2.042 ( -2.479 1.191 0.698) 2.838 2.101 ( -5.204 2.359 2.527) 6.247 2.245 ( -4.025 -0.128 1.327) 4.240 2.360 ( -2.253 1.306 5.252) 5.863 2.431 ( -0.571 -4.276 3.146) 5.339 2.565 ( -2.211 0.817 -3.895) 4.553 2.578 ( -2.113 0.187 -3.799) 4.351 3.021 ( -1.789 0.779 0.585) 2.037 3.063 ( -2.138 -1.081 1.526) 2.841 3.132 ( -3.397 1.660 -1.520) 4.075 3.202 ( -5.057 -1.254 -4.431) 6.839 3.378 ( -6.838 0.445 1.010) 6.926 3.430 ( -9.716 -1.458 0.816) 9.859 3.464 ( -6.215 2.574 -3.560) 7.611 3.595 ( -6.411 -2.640 -2.380) 7.330 4.709 ( -1.829 4.601 7.975) 9.387 4.866 ( -3.918 -1.597 -4.298) 6.030 5.005 ( -11.581 2.906 -4.786) 12.863 5.192 ( 0.719 -3.711 -6.240) 7.295 5.290 ( -11.157 0.113 3.594) 11.722 5.372 ( -10.041 -0.872 0.767) 10.108 5.482 ( -7.131 4.036 -1.400) 8.313 5.689 ( -11.040 -0.715 1.335) 11.144 5.817 ( -11.937 -0.145 -5.289) 13.058 5.855 ( -4.241 -0.422 0.366) 4.278 6.061 ( -13.275 -0.841 1.283) 13.364 6.119 ( -8.265 -1.965 0.143) 8.497 6.592 ( 0.997 -0.209 0.359) 1.080 6.632 ( -1.858 -0.827 -0.389) 2.070 6.769 ( -1.865 0.068 -2.157) 2.852 6.824 ( 0.076 -0.793 4.217) 4.292 7.008 ( -3.850 1.798 0.776) 4.319 7.047 ( -0.385 1.286 5.333) 5.499 7.295 ( -4.955 2.221 0.190) 5.433 7.456 ( -0.510 -3.572 -0.460) 3.638 7.909 ( -2.479 1.106 1.274) 2.999 7.988 ( -2.101 -2.198 0.736) 3.129 8.056 ( -2.912 1.238 -1.112) 3.354 8.107 ( -2.709 -0.996 -0.049) 2.887 8.835 ( 0.951 1.308 1.618) 2.288 8.908 ( 0.616 -1.070 0.125) 1.240 9.032 ( -1.759 0.561 -1.775) 2.561 9.057 ( -1.600 0.227 2.256) 2.775 9.316 ( 1.875 1.476 -4.614) 5.194 9.406 ( -1.059 -1.795 -3.390) 3.980 9.712 ( 0.104 1.599 -1.321) 2.076 9.802 ( -0.275 -1.984 -0.546) 2.076 10.380 ( -1.091 1.596 3.110) 3.662 10.464 ( -1.705 -1.784 2.334) 3.397 10.642 ( -1.322 1.290 -2.033) 2.747 10.694 ( -1.520 -0.880 -2.266) 2.867 ======================= Grid point 140 (79/87) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -12.855 -4.356 1.754) 13.686 0.641 ( -10.669 -4.219 1.043) 11.520 0.791 ( -9.391 -0.646 0.260) 9.417 0.810 ( -9.222 -0.710 4.782) 10.412 0.906 ( -12.967 0.988 -0.049) 13.005 0.933 ( -9.867 -2.320 0.662) 10.157 0.965 ( -1.608 -2.083 0.516) 2.682 1.011 ( -4.484 0.786 0.101) 4.553 1.058 ( -1.952 0.596 -3.091) 3.704 1.112 ( -4.939 0.576 0.922) 5.057 1.230 ( -1.173 2.008 0.053) 2.326 1.242 ( -1.269 0.719 -1.141) 1.852 1.343 ( -1.698 6.129 -1.219) 6.475 1.375 ( -5.786 -1.294 -1.639) 6.151 1.467 ( -0.232 -0.720 2.856) 2.954 1.563 ( -4.536 1.431 0.101) 4.758 1.593 ( -2.822 1.547 -2.053) 3.817 1.658 ( -2.524 3.124 -0.126) 4.018 1.753 ( 2.891 -1.617 -1.472) 3.625 1.793 ( -0.168 -1.029 2.799) 2.987 1.943 ( -3.977 3.354 6.631) 8.429 1.980 ( -0.363 3.001 -3.271) 4.453 2.071 ( -0.038 -2.276 -0.122) 2.280 2.143 ( -5.036 -0.982 2.334) 5.637 2.335 ( -0.647 2.008 5.195) 5.607 2.427 ( -0.144 -3.344 1.878) 3.838 2.503 ( -3.577 1.090 -5.616) 6.747 2.525 ( -2.477 0.732 -2.353) 3.494 2.999 ( -0.278 -0.037 -0.653) 0.710 3.028 ( -1.032 -1.274 1.598) 2.289 3.058 ( -3.285 -0.091 -1.290) 3.530 3.088 ( -4.881 -1.217 -2.914) 5.813 3.238 ( -6.620 -0.003 1.570) 6.803 3.264 ( -5.052 -1.087 -0.197) 5.171 3.362 ( -2.884 3.283 -2.647) 5.109 3.467 ( -5.544 -1.384 -2.456) 6.219 4.554 ( -16.376 3.245 2.551) 16.888 4.646 ( -21.345 2.301 -3.807) 21.804 4.739 ( -5.943 1.123 -0.229) 6.052 4.811 ( -18.863 -1.705 0.114) 18.940 4.998 ( -17.630 1.312 2.867) 17.910 5.102 ( -10.254 -2.535 -1.659) 10.692 5.251 ( -2.872 -1.044 -3.429) 4.593 5.381 ( -8.804 -0.941 -2.639) 9.239 5.842 ( 6.815 1.942 -0.390) 7.097 5.946 ( 3.818 5.719 1.145) 6.971 6.055 ( 7.333 -6.164 -0.748) 9.609 6.146 ( 4.841 -2.499 0.935) 5.528 6.575 ( -2.479 0.916 0.617) 2.714 6.604 ( -1.348 -0.968 -2.050) 2.638 6.737 ( -0.454 0.742 -2.475) 2.623 6.794 ( -3.012 -0.917 2.631) 4.103 6.961 ( -0.362 2.938 3.061) 4.258 7.069 ( 0.837 -0.965 1.611) 2.057 7.233 ( 0.193 3.906 2.211) 4.492 7.433 ( -2.080 -3.674 -0.727) 4.284 7.883 ( 0.295 1.215 1.045) 1.629 7.960 ( -0.325 -1.878 0.433) 1.954 7.997 ( -2.673 0.684 -0.506) 2.805 8.039 ( -3.515 -0.948 -0.030) 3.641 8.857 ( 0.954 0.897 2.306) 2.652 8.916 ( 0.414 -0.383 0.207) 0.601 8.990 ( -1.903 -0.459 -1.046) 2.220 9.020 ( -1.547 -0.363 -1.853) 2.441 9.400 ( 5.633 0.717 -5.127) 7.651 9.441 ( 4.425 -0.437 -2.912) 5.315 9.643 ( -6.164 1.472 0.935) 6.406 9.719 ( -7.231 -1.603 0.942) 7.466 10.405 ( 3.038 1.096 1.114) 3.416 10.469 ( 2.013 -1.549 1.128) 2.779 10.593 ( -3.055 1.269 -1.127) 3.494 10.643 ( -3.081 -0.876 -1.289) 3.452 ======================= Grid point 141 (80/87) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.493 -1.447 1.649) 2.248 0.334 ( 0.493 1.447 1.649) 2.248 0.684 ( 1.580 -1.203 2.973) 3.575 0.684 ( 1.580 1.203 2.973) 3.575 0.729 ( -2.668 -0.894 0.088) 2.815 0.729 ( -2.668 0.894 0.088) 2.815 0.969 ( 1.115 -1.616 0.746) 2.100 0.969 ( 1.115 1.616 0.746) 2.100 1.047 ( 0.661 -1.704 -0.934) 2.052 1.047 ( 0.661 1.704 -0.934) 2.052 1.220 ( -1.455 -1.150 -1.552) 2.419 1.220 ( -1.455 1.150 -1.552) 2.419 1.323 ( 0.061 -1.453 0.901) 1.710 1.323 ( 0.061 1.453 0.901) 1.710 1.530 ( -0.012 -0.878 0.236) 0.909 1.530 ( -0.012 0.878 0.236) 0.909 1.648 ( -1.462 -2.878 1.954) 3.773 1.648 ( -1.462 2.878 1.954) 3.773 1.769 ( 1.262 -3.119 -1.363) 3.630 1.769 ( 1.262 3.119 -1.363) 3.630 1.981 ( -1.412 -4.393 4.140) 6.199 1.981 ( -1.412 4.393 4.140) 6.199 2.034 ( 0.341 -0.878 1.111) 1.456 2.034 ( 0.341 0.878 1.111) 1.456 2.387 ( 1.352 -2.357 2.949) 4.010 2.387 ( 1.352 2.357 2.949) 4.010 2.470 ( -0.854 -1.283 -4.975) 5.209 2.470 ( -0.854 1.283 -4.975) 5.209 2.985 ( -0.940 -0.668 1.409) 1.821 2.985 ( -0.940 0.668 1.409) 1.821 3.023 ( 0.967 -1.119 -1.741) 2.285 3.023 ( 0.967 1.119 -1.741) 2.285 3.174 ( -0.365 -1.416 0.761) 1.648 3.174 ( -0.365 1.416 0.761) 1.648 3.381 ( 0.080 -0.629 -2.744) 2.816 3.381 ( 0.080 0.629 -2.744) 2.816 4.360 ( -1.008 -2.767 1.553) 3.329 4.360 ( -1.008 2.767 1.553) 3.329 4.606 ( 0.507 -1.977 -2.329) 3.097 4.606 ( 0.507 1.977 -2.329) 3.097 4.969 ( 0.943 -3.671 -0.080) 3.791 4.969 ( 0.943 3.671 -0.080) 3.791 5.205 ( -1.745 -4.130 -0.951) 4.583 5.205 ( -1.745 4.130 -0.951) 4.583 6.037 ( -0.561 -4.572 2.880) 5.433 6.037 ( -0.561 4.572 2.880) 5.433 6.108 ( 1.411 -6.685 -3.239) 7.561 6.108 ( 1.411 6.685 -3.239) 7.561 6.560 ( -0.727 -1.100 0.310) 1.355 6.560 ( -0.727 1.100 0.310) 1.355 6.737 ( -0.541 -0.939 -0.472) 1.182 6.737 ( -0.541 0.939 -0.472) 1.182 7.041 ( 0.944 -1.891 0.856) 2.280 7.041 ( 0.944 1.891 0.856) 2.280 7.339 ( 0.555 -1.576 0.665) 1.799 7.339 ( 0.555 1.576 0.665) 1.799 7.943 ( 2.096 -1.606 0.492) 2.686 7.943 ( 2.096 1.606 0.492) 2.686 7.954 ( -1.924 -1.068 -0.714) 2.314 7.954 ( -1.924 1.068 -0.714) 2.314 8.918 ( 2.224 -2.151 0.955) 3.238 8.918 ( 2.224 2.151 0.955) 3.238 8.959 ( -1.737 -1.509 -2.325) 3.271 8.959 ( -1.737 1.509 -2.325) 3.271 9.486 ( -6.119 -1.960 2.966) 7.076 9.486 ( -6.119 1.960 2.966) 7.076 9.582 ( 4.437 -1.052 -2.466) 5.184 9.582 ( 4.437 1.052 -2.466) 5.184 10.489 ( 1.149 -0.396 -0.075) 1.218 10.489 ( 1.149 0.396 -0.075) 1.218 10.562 ( -1.141 -0.452 -0.116) 1.233 10.562 ( -1.141 0.452 -0.116) 1.233 ======================= Grid point 143 (81/87) ======================= q-point: ( 0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 9.279 -1.391 2.613) 9.740 0.567 ( 9.279 1.391 2.613) 9.740 0.802 ( 8.468 -3.482 1.650) 9.304 0.802 ( 8.468 3.482 1.650) 9.304 0.889 ( 15.129 -2.102 0.963) 15.304 0.889 ( 15.129 2.102 0.963) 15.304 0.993 ( 2.316 -0.507 -0.899) 2.535 0.993 ( 2.316 0.507 -0.899) 2.535 1.132 ( 4.790 -2.324 -2.506) 5.884 1.132 ( 4.790 2.324 -2.506) 5.884 1.212 ( 1.421 -0.740 1.548) 2.227 1.212 ( 1.421 0.740 1.548) 2.227 1.368 ( 4.118 -0.748 0.623) 4.231 1.368 ( 4.118 0.748 0.623) 4.231 1.539 ( 0.550 -2.525 0.243) 2.595 1.539 ( 0.550 2.525 0.243) 2.595 1.606 ( 0.057 -2.728 2.028) 3.399 1.606 ( 0.057 2.728 2.028) 3.399 1.800 ( 1.350 -3.534 -1.996) 4.278 1.800 ( 1.350 3.534 -1.996) 4.278 1.964 ( -0.374 -3.351 4.459) 5.590 1.964 ( -0.374 3.351 4.459) 5.590 2.082 ( 3.606 -3.663 1.887) 5.476 2.082 ( 3.606 3.663 1.887) 5.476 2.418 ( 1.151 -1.568 1.148) 2.259 2.418 ( 1.151 1.568 1.148) 2.259 2.490 ( 1.877 -0.689 -2.395) 3.119 2.490 ( 1.877 0.689 -2.395) 3.119 2.994 ( 1.611 -0.597 2.191) 2.785 2.994 ( 1.611 0.597 2.191) 2.785 3.080 ( 4.221 -1.833 -3.205) 5.608 3.080 ( 4.221 1.833 -3.205) 5.608 3.234 ( 5.583 -1.885 1.113) 5.996 3.234 ( 5.583 1.885 1.113) 5.996 3.421 ( 3.390 -2.215 -2.334) 4.674 3.421 ( 3.390 2.215 -2.334) 4.674 4.615 ( 21.221 -4.134 2.215) 21.733 4.615 ( 21.221 4.134 2.215) 21.733 4.767 ( 10.080 -5.671 -2.190) 11.771 4.767 ( 10.080 5.671 -2.190) 11.771 5.085 ( 12.214 -2.093 -3.038) 12.759 5.085 ( 12.214 2.093 -3.038) 12.759 5.235 ( 6.203 -7.976 4.182) 10.936 5.235 ( 6.203 7.976 4.182) 10.936 5.912 ( -8.482 -3.381 0.294) 9.135 5.912 ( -8.482 3.381 0.294) 9.135 6.106 ( -2.507 -5.249 -2.105) 6.186 6.106 ( -2.507 5.249 -2.105) 6.186 6.565 ( 1.119 -1.109 1.287) 2.034 6.565 ( 1.119 1.109 1.287) 2.034 6.750 ( 1.768 -3.051 0.030) 3.526 6.750 ( 1.768 3.051 0.030) 3.526 7.062 ( 0.740 -0.641 -0.307) 1.026 7.062 ( 0.740 0.641 -0.307) 1.026 7.350 ( 0.608 -2.877 -0.041) 2.941 7.350 ( 0.608 2.877 -0.041) 2.941 7.936 ( 0.586 -1.775 -1.005) 2.122 7.936 ( 0.586 1.775 -1.005) 2.122 8.004 ( 2.963 -1.709 0.542) 3.463 8.004 ( 2.963 1.709 0.542) 3.463 8.922 ( -1.618 -2.049 -1.659) 3.093 8.922 ( -1.618 2.049 -1.659) 3.093 8.990 ( 4.441 -3.045 -1.092) 5.494 8.990 ( 4.441 3.045 -1.092) 5.494 9.338 ( -5.814 -2.723 4.667) 7.937 9.338 ( -5.814 2.723 4.667) 7.937 9.698 ( 4.183 -2.210 -0.505) 4.758 9.698 ( 4.183 2.210 -0.505) 4.758 10.467 ( -0.902 -1.588 -2.146) 2.818 10.467 ( -0.902 1.588 -2.146) 2.818 10.592 ( 2.097 -1.238 1.574) 2.900 10.592 ( 2.097 1.238 1.574) 2.900 ======================= Grid point 145 (82/87) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 5.419 -1.183 3.669) 6.651 0.707 ( 5.419 1.183 3.669) 6.651 0.929 ( 2.490 -1.969 -0.217) 3.182 0.929 ( 2.490 1.969 -0.217) 3.182 1.072 ( 6.239 -2.954 1.520) 7.069 1.072 ( 6.239 2.954 1.520) 7.069 1.161 ( 5.140 -0.509 -0.832) 5.232 1.161 ( 5.140 0.509 -0.832) 5.232 1.188 ( 2.083 -2.675 -0.683) 3.458 1.188 ( 2.083 2.675 -0.683) 3.458 1.295 ( 5.487 -0.473 0.154) 5.509 1.295 ( 5.487 0.473 0.154) 5.509 1.449 ( 2.529 -1.396 0.065) 2.889 1.449 ( 2.529 1.396 0.065) 2.889 1.564 ( 3.075 -3.796 0.617) 4.924 1.564 ( 3.075 3.796 0.617) 4.924 1.703 ( 6.518 -1.533 1.246) 6.811 1.703 ( 6.518 1.533 1.246) 6.811 1.814 ( -0.429 -2.086 -2.907) 3.603 1.814 ( -0.429 2.086 -2.907) 3.603 1.992 ( 4.113 -3.099 3.048) 5.984 1.992 ( 4.113 3.099 3.048) 5.984 2.172 ( 4.581 -3.688 3.010) 6.606 2.172 ( 4.581 3.688 3.010) 6.606 2.438 ( 0.798 -2.537 0.471) 2.701 2.438 ( 0.798 2.537 0.471) 2.701 2.524 ( 1.520 -0.852 -0.385) 1.785 2.524 ( 1.520 0.852 -0.385) 1.785 3.040 ( 2.269 -0.415 3.295) 4.022 3.040 ( 2.269 0.415 3.295) 4.022 3.177 ( 4.461 -2.055 -4.821) 6.882 3.177 ( 4.461 2.055 -4.821) 6.882 3.388 ( 8.397 -2.290 1.333) 8.805 3.388 ( 8.397 2.290 1.333) 8.805 3.518 ( 5.814 -3.301 -1.790) 6.921 3.518 ( 5.814 3.301 -1.790) 6.921 4.865 ( 2.684 -4.706 -4.289) 6.910 4.865 ( 2.684 4.706 -4.289) 6.910 4.993 ( 8.281 -3.283 3.684) 9.640 4.993 ( 8.281 3.283 3.684) 9.640 5.339 ( 5.956 -4.369 4.052) 8.425 5.339 ( 5.956 4.369 4.052) 8.425 5.585 ( 14.306 -4.119 -1.663) 14.980 5.585 ( 14.306 4.119 -1.663) 14.980 5.796 ( 7.040 -3.579 0.721) 7.930 5.796 ( 7.040 3.579 0.721) 7.930 6.107 ( 7.200 -2.836 -1.226) 7.835 6.107 ( 7.200 2.836 -1.226) 7.835 6.595 ( 1.629 -0.993 0.936) 2.125 6.595 ( 1.629 0.993 0.936) 2.125 6.801 ( 2.370 -4.075 -1.252) 4.877 6.801 ( 2.370 4.075 -1.252) 4.877 7.075 ( 1.061 -1.843 1.147) 2.416 7.075 ( 1.061 1.843 1.147) 2.416 7.376 ( 2.145 -2.895 -0.289) 3.614 7.376 ( 2.145 2.895 -0.289) 3.614 7.968 ( 2.158 -1.513 -1.235) 2.911 7.968 ( 2.158 1.513 -1.235) 2.911 8.062 ( 2.567 -2.100 0.896) 3.436 8.062 ( 2.567 2.100 0.896) 3.436 8.892 ( -1.130 -1.990 -0.780) 2.418 8.892 ( -1.130 1.990 -0.780) 2.418 9.079 ( 2.829 -4.447 -3.258) 6.196 9.079 ( 2.829 4.447 -3.258) 6.196 9.278 ( 0.853 -3.258 4.233) 5.409 9.278 ( 0.853 3.258 4.233) 5.409 9.728 ( -1.381 -2.846 1.878) 3.679 9.728 ( -1.381 2.846 1.878) 3.679 10.486 ( 2.609 -1.803 -3.591) 4.791 10.486 ( 2.609 1.803 -3.591) 4.791 10.623 ( 0.707 -1.270 2.457) 2.855 10.623 ( 0.707 1.270 2.457) 2.855 ======================= Grid point 147 (83/87) ======================= q-point: ( 0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 3.826 -1.029 4.517) 6.008 0.809 ( 3.826 1.029 4.517) 6.008 0.949 ( 0.126 -0.891 -1.502) 1.751 0.949 ( 0.126 0.891 -1.502) 1.751 1.159 ( 1.172 -1.139 2.327) 2.844 1.159 ( 1.172 1.139 2.327) 2.844 1.209 ( 1.375 -1.018 -1.052) 2.009 1.209 ( 1.375 1.018 -1.052) 2.009 1.234 ( 2.318 -1.284 -1.055) 2.853 1.234 ( 2.318 1.284 -1.055) 2.853 1.363 ( 1.130 -1.683 0.199) 2.037 1.363 ( 1.130 1.683 0.199) 2.037 1.495 ( 1.858 -1.465 0.460) 2.411 1.495 ( 1.858 1.465 0.460) 2.411 1.641 ( 2.638 -2.806 0.718) 3.918 1.641 ( 2.638 2.806 0.718) 3.918 1.765 ( -0.819 -1.545 0.699) 1.884 1.765 ( -0.819 1.545 0.699) 1.884 1.809 ( 1.263 -1.232 -2.170) 2.797 1.809 ( 1.263 1.232 -2.170) 2.797 2.131 ( 6.654 -1.425 -0.426) 6.819 2.131 ( 6.654 1.425 -0.426) 6.819 2.262 ( 3.292 -1.380 2.592) 4.411 2.262 ( 3.292 1.380 2.592) 4.411 2.450 ( 0.318 -1.649 3.575) 3.950 2.450 ( 0.318 1.649 3.575) 3.950 2.568 ( 2.634 -1.356 -2.453) 3.846 2.568 ( 2.634 1.356 -2.453) 3.846 3.082 ( 1.493 -1.111 3.744) 4.181 3.082 ( 1.493 1.111 3.744) 4.181 3.251 ( 2.591 -2.176 -4.719) 5.807 3.251 ( 2.591 2.176 -4.719) 5.807 3.562 ( 7.163 -3.182 1.829) 8.049 3.562 ( 7.163 3.182 1.829) 8.049 3.650 ( 5.765 -3.819 -2.649) 7.405 3.650 ( 5.765 3.819 -2.649) 7.405 4.883 ( -0.073 -5.542 -2.307) 6.004 4.883 ( -0.073 5.542 -2.307) 6.004 5.095 ( 1.542 -3.692 2.679) 4.815 5.095 ( 1.542 3.692 2.679) 4.815 5.283 ( -4.592 -3.092 4.021) 6.842 5.283 ( -4.592 3.092 4.021) 6.842 5.554 ( -6.157 -3.655 -3.824) 8.117 5.554 ( -6.157 3.655 -3.824) 8.117 6.212 ( 17.195 -1.453 0.668) 17.269 6.212 ( 17.195 1.453 0.668) 17.269 6.366 ( 10.527 -3.337 1.641) 11.164 6.366 ( 10.527 3.337 1.641) 11.164 6.655 ( 4.576 -2.151 -0.409) 5.073 6.655 ( 4.576 2.151 -0.409) 5.073 6.820 ( -0.571 -3.133 -2.054) 3.789 6.820 ( -0.571 3.133 -2.054) 3.789 7.133 ( 3.912 -1.333 3.172) 5.209 7.133 ( 3.912 1.333 3.172) 5.209 7.444 ( 3.951 -0.635 -0.811) 4.083 7.444 ( 3.951 0.635 -0.811) 4.083 8.011 ( 1.602 -0.358 -0.724) 1.794 8.011 ( 1.602 0.358 -0.724) 1.794 8.118 ( 2.617 -1.752 0.509) 3.190 8.118 ( 2.617 1.752 0.509) 3.190 8.868 ( -1.186 -1.075 -0.092) 1.603 8.868 ( -1.186 1.075 -0.092) 1.603 9.091 ( -0.655 -3.449 -1.642) 3.876 9.091 ( -0.655 3.449 -1.642) 3.876 9.373 ( 6.525 -3.906 0.518) 7.623 9.373 ( 6.525 3.906 0.518) 7.623 9.661 ( -4.365 -3.152 2.145) 5.796 9.661 ( -4.365 3.152 2.145) 5.796 10.545 ( 1.988 -1.012 -1.901) 2.931 10.545 ( 1.988 1.012 -1.901) 2.931 10.632 ( 0.572 -0.532 1.255) 1.478 10.632 ( 0.572 0.532 1.255) 1.478 ======================= Grid point 149 (84/87) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.103 -0.832 5.506) 5.570 0.854 ( -0.103 0.832 5.506) 5.570 0.951 ( 0.433 -0.646 -3.202) 3.295 0.951 ( 0.433 0.646 -3.202) 3.295 1.156 ( -0.813 -0.518 3.236) 3.377 1.156 ( -0.813 0.518 3.236) 3.377 1.227 ( 0.077 -1.229 -1.314) 1.801 1.227 ( 0.077 1.229 -1.314) 1.801 1.266 ( 0.519 -1.481 -1.353) 2.072 1.266 ( 0.519 1.481 -1.353) 2.072 1.368 ( -0.459 -0.229 0.706) 0.873 1.368 ( -0.459 0.229 0.706) 0.873 1.521 ( 0.239 -1.562 1.278) 2.032 1.521 ( 0.239 1.562 1.278) 2.032 1.654 ( -0.327 -1.110 0.466) 1.248 1.654 ( -0.327 1.110 0.466) 1.248 1.767 ( 0.718 -0.808 -2.119) 2.379 1.767 ( 0.718 0.808 -2.119) 2.379 1.824 ( 0.214 -0.480 -1.175) 1.287 1.824 ( 0.214 0.480 -1.175) 1.287 2.187 ( -1.671 -0.372 2.348) 2.905 2.187 ( -1.671 0.372 2.348) 2.905 2.314 ( 1.561 -0.821 -0.923) 1.990 2.314 ( 1.561 0.821 -0.923) 1.990 2.451 ( -0.772 -2.145 5.006) 5.501 2.451 ( -0.772 2.145 5.006) 5.501 2.610 ( 0.990 -1.718 -3.860) 4.339 2.610 ( 0.990 1.718 -3.860) 4.339 3.101 ( 0.011 -1.162 3.530) 3.716 3.101 ( 0.011 1.162 3.530) 3.716 3.279 ( 0.062 -2.480 -4.378) 5.032 3.279 ( 0.062 2.480 -4.378) 5.032 3.653 ( 0.418 -3.776 2.160) 4.370 3.653 ( 0.418 3.776 2.160) 4.370 3.714 ( -0.112 -3.535 -3.714) 5.129 3.714 ( -0.112 3.535 -3.714) 5.129 4.876 ( -1.026 -5.634 1.043) 5.821 4.876 ( -1.026 5.634 1.043) 5.821 5.067 ( 0.168 -1.625 -0.157) 1.641 5.067 ( 0.168 1.625 -0.157) 1.641 5.317 ( 4.917 -1.538 4.905) 7.113 5.317 ( 4.917 1.538 4.905) 7.113 5.434 ( -3.712 -3.574 -5.734) 7.710 5.434 ( -3.712 3.574 -5.734) 7.710 6.418 ( 2.690 -4.220 0.514) 5.030 6.418 ( 2.690 4.220 0.514) 5.030 6.449 ( -1.244 -4.313 -0.252) 4.496 6.449 ( -1.244 4.313 -0.252) 4.496 6.742 ( 0.900 -0.704 1.015) 1.529 6.742 ( 0.900 0.704 1.015) 1.529 6.783 ( -2.079 -2.049 -1.352) 3.216 6.783 ( -2.079 2.049 -1.352) 3.216 7.185 ( -0.221 -0.761 3.623) 3.708 7.185 ( -0.221 0.761 3.623) 3.708 7.498 ( -0.037 -0.685 -0.948) 1.171 7.498 ( -0.037 0.685 -0.948) 1.171 8.026 ( -0.404 -0.881 0.016) 0.970 8.026 ( -0.404 0.881 0.016) 0.970 8.156 ( 0.446 -0.708 -0.369) 0.914 8.156 ( 0.446 0.708 -0.369) 0.914 8.850 ( -0.310 -0.886 0.553) 1.090 8.850 ( -0.310 0.886 0.553) 1.090 9.076 ( -0.484 -1.542 -0.388) 1.662 9.076 ( -0.484 1.542 -0.388) 1.662 9.474 ( -0.197 -1.012 -0.501) 1.146 9.474 ( -0.197 1.012 -0.501) 1.146 9.602 ( 1.834 -0.674 -0.351) 1.985 9.602 ( 1.834 0.674 -0.351) 1.985 10.539 ( -2.169 -1.393 3.060) 4.001 10.539 ( -2.169 1.393 3.060) 4.001 10.661 ( 1.726 -1.327 -2.743) 3.502 10.661 ( 1.726 1.327 -2.743) 3.502 ======================= Grid point 151 (85/87) ======================= q-point: (-0.38 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.631 -1.176 3.711) 5.323 0.813 ( -3.631 1.176 3.711) 5.323 0.960 ( 0.172 -1.126 -2.298) 2.565 0.960 ( 0.172 1.126 -2.298) 2.565 1.135 ( -1.464 -1.304 4.570) 4.973 1.135 ( -1.464 1.304 4.570) 4.973 1.209 ( -2.843 -1.994 -1.963) 3.989 1.209 ( -2.843 1.994 -1.963) 3.989 1.245 ( -1.294 -0.844 -0.992) 1.836 1.245 ( -1.294 0.844 -0.992) 1.836 1.359 ( -0.584 -0.923 0.523) 1.211 1.359 ( -0.584 0.923 0.523) 1.211 1.500 ( -1.888 -1.822 0.394) 2.653 1.500 ( -1.888 1.822 0.394) 2.653 1.640 ( -2.219 -0.900 1.000) 2.595 1.640 ( -2.219 0.900 1.000) 2.595 1.767 ( -0.282 -1.313 -1.420) 1.954 1.767 ( -0.282 1.313 -1.420) 1.954 1.819 ( -1.251 -1.154 -1.533) 2.290 1.819 ( -1.251 1.154 -1.533) 2.290 2.111 ( -4.428 -1.053 1.022) 4.665 2.111 ( -4.428 1.053 1.022) 4.665 2.297 ( -3.352 -2.674 -0.393) 4.306 2.297 ( -3.352 2.674 -0.393) 4.306 2.415 ( -2.432 -1.752 5.195) 5.998 2.415 ( -2.432 1.752 5.195) 5.998 2.606 ( -0.943 -0.823 -4.231) 4.412 2.606 ( -0.943 0.823 -4.231) 4.412 3.084 ( -1.635 -1.138 3.293) 3.849 3.084 ( -1.635 1.138 3.293) 3.849 3.249 ( -2.620 -2.557 -4.303) 5.650 3.249 ( -2.620 2.557 -4.303) 5.650 3.571 ( -7.277 -3.065 0.959) 7.954 3.571 ( -7.277 3.065 0.959) 7.954 3.653 ( -5.034 -3.539 -3.028) 6.858 3.653 ( -5.034 3.539 -3.028) 6.858 4.844 ( -1.468 -5.118 1.586) 5.555 4.844 ( -1.468 5.118 1.586) 5.555 5.134 ( 2.664 -1.489 -1.404) 3.359 5.134 ( 2.664 1.489 -1.404) 3.359 5.347 ( 0.985 -4.805 -0.503) 4.931 5.347 ( 0.985 4.805 -0.503) 4.931 5.505 ( 7.906 -4.499 -0.597) 9.116 5.505 ( 7.906 4.499 -0.597) 9.116 6.238 ( -16.913 -2.665 -1.804) 17.217 6.238 ( -16.913 2.665 -1.804) 17.217 6.395 ( -10.256 -3.034 -1.171) 10.759 6.395 ( -10.256 3.034 -1.171) 10.759 6.638 ( -4.834 -2.264 1.560) 5.561 6.638 ( -4.834 2.264 1.560) 5.561 6.790 ( 0.430 -0.457 0.740) 0.970 6.790 ( 0.430 0.457 0.740) 0.970 7.128 ( -4.327 -0.628 3.579) 5.650 7.128 ( -4.327 0.628 3.579) 5.650 7.441 ( -4.156 -1.957 -0.572) 4.629 7.441 ( -4.156 1.957 -0.572) 4.629 7.994 ( -2.355 -1.724 0.918) 3.060 7.994 ( -2.355 1.724 0.918) 3.060 8.134 ( -2.040 -0.841 -1.072) 2.453 8.134 ( -2.040 0.841 -1.072) 2.453 8.857 ( 0.742 -1.856 0.978) 2.226 8.857 ( 0.742 1.856 0.978) 2.226 9.070 ( -0.322 -0.075 0.353) 0.484 9.070 ( -0.322 0.075 0.353) 0.484 9.401 ( -3.843 -3.534 -1.961) 5.577 9.401 ( -3.843 3.534 -1.961) 5.577 9.700 ( 4.732 -2.686 -1.789) 5.727 9.700 ( 4.732 2.686 -1.789) 5.727 10.477 ( -3.405 -2.219 3.895) 5.629 10.477 ( -3.405 2.219 3.895) 5.629 10.683 ( 0.305 -1.510 -2.976) 3.351 10.683 ( 0.305 1.510 -2.976) 3.351 ======================= Grid point 153 (86/87) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -5.550 -1.249 2.695) 6.295 0.715 ( -5.550 1.249 2.695) 6.295 0.943 ( -2.103 -0.850 -1.240) 2.585 0.943 ( -2.103 0.850 -1.240) 2.585 1.067 ( -6.244 -2.744 3.709) 7.764 1.067 ( -6.244 2.744 3.709) 7.764 1.113 ( -4.831 -1.137 -0.010) 4.963 1.113 ( -4.831 1.137 -0.010) 4.963 1.217 ( -3.410 -1.826 -1.988) 4.349 1.217 ( -3.410 1.826 -1.988) 4.349 1.301 ( -4.717 -0.734 -0.180) 4.777 1.301 ( -4.717 0.734 -0.180) 4.777 1.465 ( -1.719 -2.135 -1.218) 2.999 1.465 ( -1.719 2.135 -1.218) 2.999 1.554 ( -3.834 -4.019 1.902) 5.871 1.554 ( -3.834 4.019 1.902) 5.871 1.728 ( -6.074 -0.789 -1.461) 6.297 1.728 ( -6.074 0.789 -1.461) 6.297 1.776 ( -0.166 -1.512 0.616) 1.641 1.776 ( -0.166 1.512 0.616) 1.641 2.037 ( -2.135 -1.441 -1.213) 2.848 2.037 ( -2.135 1.441 -1.213) 2.848 2.193 ( -5.793 -5.347 1.108) 7.961 2.193 ( -5.793 5.347 1.108) 7.961 2.378 ( -0.839 -0.886 4.549) 4.710 2.378 ( -0.839 0.886 4.549) 4.710 2.576 ( -1.755 -0.332 -3.784) 4.184 2.576 ( -1.755 0.332 -3.784) 4.184 3.041 ( -2.253 -1.093 2.795) 3.752 3.041 ( -2.253 1.093 2.795) 3.752 3.168 ( -4.738 -1.917 -3.603) 6.253 3.168 ( -4.738 1.917 -3.603) 6.253 3.399 ( -8.151 -1.457 0.096) 8.280 3.399 ( -8.151 1.457 0.096) 8.280 3.529 ( -5.819 -3.577 -2.738) 7.359 3.529 ( -5.819 3.577 -2.738) 7.359 4.813 ( -2.007 -4.391 1.190) 4.973 4.813 ( -2.007 4.391 1.190) 4.973 5.071 ( -9.064 -5.186 -4.274) 11.283 5.071 ( -9.064 5.186 -4.274) 11.283 5.346 ( -8.747 -2.647 3.372) 9.741 5.346 ( -8.747 2.647 3.372) 9.741 5.603 ( -6.998 -6.854 -3.341) 10.350 5.603 ( -6.998 6.854 -3.341) 10.350 5.824 ( -10.200 -1.182 -1.937) 10.449 5.824 ( -10.200 1.182 -1.937) 10.449 6.081 ( -9.891 -2.024 1.239) 10.172 6.081 ( -9.891 2.024 1.239) 10.172 6.606 ( -0.285 -1.436 0.139) 1.471 6.606 ( -0.285 1.436 0.139) 1.471 6.787 ( -0.775 -1.786 -0.081) 1.949 6.787 ( -0.775 1.786 -0.081) 1.949 7.050 ( -2.406 -1.341 3.409) 4.383 7.050 ( -2.406 1.341 3.409) 4.383 7.367 ( -2.508 -4.592 0.507) 5.257 7.367 ( -2.508 4.592 0.507) 5.257 7.943 ( -2.158 -2.099 1.284) 3.273 7.943 ( -2.158 2.099 1.284) 3.273 8.082 ( -2.777 -1.323 -1.079) 3.260 8.082 ( -2.777 1.323 -1.079) 3.260 8.873 ( 0.651 -2.167 1.134) 2.531 8.873 ( 0.651 2.167 1.134) 2.531 9.049 ( -1.852 -0.902 0.074) 2.062 9.049 ( -1.852 0.902 0.074) 2.062 9.360 ( 0.581 -2.564 -3.922) 4.721 9.360 ( 0.581 2.564 -3.922) 4.721 9.754 ( -0.189 -2.454 -0.783) 2.583 9.754 ( -0.189 2.454 -0.783) 2.583 10.421 ( -1.379 -2.248 2.780) 3.832 10.421 ( -1.379 2.248 2.780) 3.832 10.670 ( -1.488 -1.384 -2.209) 3.002 10.670 ( -1.488 1.384 -2.209) 3.002 ======================= Grid point 155 (87/87) ======================= q-point: (-0.12 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -10.082 -1.138 2.403) 10.427 0.566 ( -10.082 1.138 2.403) 10.427 0.810 ( -11.423 -0.966 3.249) 11.915 0.810 ( -11.423 0.966 3.249) 11.915 0.897 ( -10.400 -0.424 -1.708) 10.547 0.897 ( -10.400 0.424 -1.708) 10.547 0.978 ( -3.794 -2.327 0.379) 4.467 0.978 ( -3.794 2.327 0.379) 4.467 1.098 ( -4.491 -1.953 0.055) 4.898 1.098 ( -4.491 1.953 0.055) 4.898 1.252 ( -1.169 -0.640 -1.484) 1.995 1.252 ( -1.169 0.640 -1.484) 1.995 1.375 ( -5.033 -1.580 -0.367) 5.288 1.375 ( -5.033 1.580 -0.367) 5.288 1.536 ( -0.119 -4.685 1.429) 4.899 1.536 ( -0.119 4.685 1.429) 4.899 1.638 ( -0.227 -2.711 -1.674) 3.194 1.638 ( -0.227 2.711 -1.674) 3.194 1.768 ( -0.606 -1.694 0.622) 1.903 1.768 ( -0.606 1.694 0.622) 1.903 2.010 ( -0.976 -2.465 0.749) 2.755 2.010 ( -0.976 2.465 0.749) 2.755 2.079 ( -4.451 -4.860 2.149) 6.932 2.079 ( -4.451 4.860 2.149) 6.932 2.374 ( -0.004 -1.998 3.392) 3.937 2.374 ( -0.004 1.998 3.392) 3.937 2.524 ( -3.042 -0.702 -4.004) 5.078 2.524 ( -3.042 0.702 -4.004) 5.078 3.006 ( -0.967 -0.764 1.780) 2.165 3.006 ( -0.967 0.764 1.780) 2.165 3.063 ( -4.417 -0.860 -2.196) 5.008 3.063 ( -4.417 0.860 -2.196) 5.008 3.247 ( -5.879 -0.700 -0.105) 5.921 3.247 ( -5.879 0.700 -0.105) 5.921 3.425 ( -3.734 -2.756 -2.590) 5.315 3.425 ( -3.734 2.756 -2.590) 5.315 4.644 ( -20.344 -3.624 0.322) 20.667 4.644 ( -20.344 3.624 0.322) 20.667 4.757 ( -11.533 -1.917 -2.370) 11.929 4.757 ( -11.533 1.917 -2.370) 11.929 5.041 ( -10.453 -2.561 1.540) 10.871 5.041 ( -10.453 2.561 1.540) 10.871 5.311 ( -9.433 -4.987 -3.282) 11.163 5.311 ( -9.433 4.987 -3.282) 11.163 5.915 ( 8.485 -5.185 0.067) 9.944 5.915 ( 8.485 5.185 0.067) 9.944 6.074 ( 3.378 -4.820 0.822) 5.943 6.074 ( 3.378 4.820 0.822) 5.943 6.587 ( -1.503 -0.621 -0.612) 1.737 6.587 ( -1.503 0.621 -0.612) 1.737 6.761 ( -1.383 -1.651 -1.245) 2.488 6.761 ( -1.383 1.651 -1.245) 2.488 7.030 ( -0.022 -2.966 2.798) 4.077 7.030 ( -0.022 2.966 2.798) 4.077 7.335 ( -0.557 -5.575 1.351) 5.763 7.335 ( -0.557 5.575 1.351) 5.763 7.917 ( -0.036 -2.066 0.825) 2.224 7.917 ( -0.036 2.066 0.825) 2.224 8.016 ( -3.315 -1.149 -0.709) 3.580 8.016 ( -3.315 1.149 -0.709) 3.580 8.888 ( 0.851 -1.965 1.496) 2.612 8.888 ( 0.851 1.965 1.496) 2.612 9.001 ( -2.275 -1.201 -1.672) 3.068 9.001 ( -2.275 1.201 -1.672) 3.068 9.423 ( 5.124 -1.289 -3.829) 6.526 9.423 ( 5.124 1.289 -3.829) 6.526 9.680 ( -6.423 -2.057 1.096) 6.833 9.680 ( -6.423 2.057 1.096) 6.833 10.435 ( 2.355 -1.707 1.150) 3.128 10.435 ( 2.355 1.707 1.150) 3.128 10.620 ( -3.011 -1.325 -1.272) 3.527 10.620 ( -3.011 1.325 -1.272) 3.527 =================== 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 3/16128 10.0 11.646 3.518 3.114 0.000 -0.598 0.000 3/16128 20.0 5.436 1.484 1.327 0.000 -0.210 0.000 3/16128 30.0 3.525 0.971 0.903 0.000 -0.138 0.000 3/16128 40.0 2.665 0.740 0.710 0.000 -0.107 0.000 3/16128 50.0 2.172 0.606 0.592 0.000 -0.088 0.000 3/16128 60.0 1.846 0.516 0.509 0.000 -0.075 0.000 3/16128 70.0 1.610 0.450 0.448 0.000 -0.066 0.000 3/16128 80.0 1.430 0.400 0.400 0.000 -0.060 0.000 3/16128 90.0 1.288 0.360 0.363 0.000 -0.055 0.000 3/16128 100.0 1.172 0.328 0.332 0.000 -0.051 0.000 3/16128 110.0 1.076 0.301 0.306 0.000 -0.047 0.000 3/16128 120.0 0.994 0.279 0.285 0.000 -0.045 0.000 3/16128 130.0 0.924 0.259 0.266 0.000 -0.043 0.000 3/16128 140.0 0.864 0.242 0.250 0.000 -0.040 0.000 3/16128 150.0 0.811 0.227 0.235 0.000 -0.039 0.000 3/16128 160.0 0.764 0.214 0.222 0.000 -0.037 0.000 3/16128 170.0 0.722 0.203 0.211 0.000 -0.035 0.000 3/16128 180.0 0.684 0.192 0.200 0.000 -0.034 0.000 3/16128 190.0 0.650 0.183 0.191 0.000 -0.033 0.000 3/16128 200.0 0.620 0.174 0.182 0.000 -0.032 0.000 3/16128 210.0 0.592 0.166 0.175 0.000 -0.030 0.000 3/16128 220.0 0.566 0.159 0.167 0.000 -0.029 0.000 3/16128 230.0 0.543 0.153 0.161 0.000 -0.028 0.000 3/16128 240.0 0.521 0.146 0.155 0.000 -0.027 0.000 3/16128 250.0 0.501 0.141 0.149 0.000 -0.027 0.000 3/16128 260.0 0.483 0.136 0.144 0.000 -0.026 0.000 3/16128 270.0 0.465 0.131 0.139 0.000 -0.025 0.000 3/16128 280.0 0.449 0.126 0.134 0.000 -0.024 0.000 3/16128 290.0 0.434 0.122 0.130 0.000 -0.023 0.000 3/16128 300.0 0.420 0.118 0.126 0.000 -0.023 0.000 3/16128 310.0 0.407 0.115 0.122 0.000 -0.022 0.000 3/16128 320.0 0.395 0.111 0.118 0.000 -0.022 0.000 3/16128 330.0 0.383 0.108 0.115 0.000 -0.021 0.000 3/16128 340.0 0.372 0.105 0.112 0.000 -0.020 0.000 3/16128 350.0 0.362 0.102 0.109 0.000 -0.020 0.000 3/16128 360.0 0.352 0.099 0.106 0.000 -0.019 0.000 3/16128 370.0 0.343 0.096 0.103 0.000 -0.019 0.000 3/16128 380.0 0.334 0.094 0.100 0.000 -0.019 0.000 3/16128 390.0 0.325 0.092 0.098 0.000 -0.018 0.000 3/16128 400.0 0.317 0.089 0.096 0.000 -0.018 0.000 3/16128 410.0 0.310 0.087 0.093 0.000 -0.017 0.000 3/16128 420.0 0.303 0.085 0.091 0.000 -0.017 0.000 3/16128 430.0 0.296 0.083 0.089 0.000 -0.017 0.000 3/16128 440.0 0.289 0.081 0.087 0.000 -0.016 0.000 3/16128 450.0 0.283 0.080 0.085 0.000 -0.016 0.000 3/16128 460.0 0.277 0.078 0.083 0.000 -0.016 0.000 3/16128 470.0 0.271 0.076 0.082 0.000 -0.015 0.000 3/16128 480.0 0.265 0.075 0.080 0.000 -0.015 0.000 3/16128 490.0 0.260 0.073 0.078 0.000 -0.015 0.000 3/16128 500.0 0.255 0.072 0.077 0.000 -0.014 0.000 3/16128 510.0 0.250 0.070 0.075 0.000 -0.014 0.000 3/16128 520.0 0.245 0.069 0.074 0.000 -0.014 0.000 3/16128 530.0 0.241 0.068 0.073 0.000 -0.014 0.000 3/16128 540.0 0.236 0.066 0.071 0.000 -0.013 0.000 3/16128 550.0 0.232 0.065 0.070 0.000 -0.013 0.000 3/16128 560.0 0.228 0.064 0.069 0.000 -0.013 0.000 3/16128 570.0 0.224 0.063 0.068 0.000 -0.013 0.000 3/16128 580.0 0.220 0.062 0.067 0.000 -0.013 0.000 3/16128 590.0 0.216 0.061 0.065 0.000 -0.012 0.000 3/16128 600.0 0.213 0.060 0.064 0.000 -0.012 0.000 3/16128 610.0 0.209 0.059 0.063 0.000 -0.012 0.000 3/16128 620.0 0.206 0.058 0.062 0.000 -0.012 0.000 3/16128 630.0 0.203 0.057 0.061 0.000 -0.012 0.000 3/16128 640.0 0.200 0.056 0.060 0.000 -0.011 0.000 3/16128 650.0 0.197 0.055 0.060 0.000 -0.011 0.000 3/16128 660.0 0.194 0.055 0.059 0.000 -0.011 0.000 3/16128 670.0 0.191 0.054 0.058 0.000 -0.011 0.000 3/16128 680.0 0.188 0.053 0.057 0.000 -0.011 0.000 3/16128 690.0 0.185 0.052 0.056 0.000 -0.011 0.000 3/16128 700.0 0.183 0.051 0.055 0.000 -0.010 0.000 3/16128 710.0 0.180 0.051 0.055 0.000 -0.010 0.000 3/16128 720.0 0.178 0.050 0.054 0.000 -0.010 0.000 3/16128 730.0 0.175 0.049 0.053 0.000 -0.010 0.000 3/16128 740.0 0.173 0.049 0.052 0.000 -0.010 0.000 3/16128 750.0 0.171 0.048 0.052 0.000 -0.010 0.000 3/16128 760.0 0.168 0.047 0.051 0.000 -0.010 0.000 3/16128 770.0 0.166 0.047 0.050 0.000 -0.010 0.000 3/16128 780.0 0.164 0.046 0.050 0.000 -0.009 0.000 3/16128 790.0 0.162 0.046 0.049 0.000 -0.009 0.000 3/16128 800.0 0.160 0.045 0.049 0.000 -0.009 0.000 3/16128 810.0 0.158 0.045 0.048 0.000 -0.009 0.000 3/16128 820.0 0.156 0.044 0.047 0.000 -0.009 0.000 3/16128 830.0 0.154 0.043 0.047 0.000 -0.009 0.000 3/16128 840.0 0.152 0.043 0.046 0.000 -0.009 0.000 3/16128 850.0 0.151 0.042 0.046 0.000 -0.009 0.000 3/16128 860.0 0.149 0.042 0.045 0.000 -0.009 0.000 3/16128 870.0 0.147 0.041 0.045 0.000 -0.008 0.000 3/16128 880.0 0.146 0.041 0.044 0.000 -0.008 0.000 3/16128 890.0 0.144 0.041 0.044 0.000 -0.008 0.000 3/16128 900.0 0.142 0.040 0.043 0.000 -0.008 0.000 3/16128 910.0 0.141 0.040 0.043 0.000 -0.008 0.000 3/16128 920.0 0.139 0.039 0.042 0.000 -0.008 0.000 3/16128 930.0 0.138 0.039 0.042 0.000 -0.008 0.000 3/16128 940.0 0.136 0.038 0.041 0.000 -0.008 0.000 3/16128 950.0 0.135 0.038 0.041 0.000 -0.008 0.000 3/16128 960.0 0.133 0.038 0.041 0.000 -0.008 0.000 3/16128 970.0 0.132 0.037 0.040 0.000 -0.008 0.000 3/16128 980.0 0.131 0.037 0.040 0.000 -0.008 0.000 3/16128 990.0 0.129 0.036 0.039 0.000 -0.007 0.000 3/16128 1000.0 0.128 0.036 0.039 0.000 -0.007 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m847.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:13:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|