----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048387530403829 0.000000000000000 0.000000000000000 b 0.000000000000000 6.924027429999999 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): *1 Rb 0.71225769603326 0.45699558412981 0.89740784944144 85.468 *2 Rb 0.23895960072493 0.03706599535468 0.11791861502321 85.468 *3 Rb 0.88783854247238 0.41798331551796 0.18562581066838 85.468 4 Rb 0.11216145752762 0.91798331551796 0.31437418933161 85.468 5 Rb 0.76104039927507 0.53706599535468 0.38208138497679 85.468 6 Rb 0.28774230396674 0.95699558412981 0.60259215055856 85.468 7 Rb 0.71225769603326 0.04300441587019 0.39740784944144 85.468 8 Rb 0.23895960072493 0.46293400464532 0.61791861502321 85.468 9 Rb 0.88783854247238 0.08201668448204 0.68562581066839 85.468 10 Rb 0.11216145752762 0.58201668448204 0.81437418933161 85.468 11 Rb 0.76104039927507 0.96293400464532 0.88208138497679 85.468 12 Rb 0.28774230396674 0.54300441587019 0.10259215055856 85.468 *13 In 0.66760648457258 0.86835169121054 0.08457856195332 114.818 14 In 0.33239351542742 0.36835169121054 0.41542143804668 114.818 15 In 0.66760648457258 0.63164830878946 0.58457856195332 114.818 16 In 0.33239351542742 0.13164830878946 0.91542143804668 114.818 *17 O 0.91569221334757 0.73945276160909 0.07156735822393 15.999 *18 O 0.64962595154862 0.16375793343984 0.03907711260442 15.999 *19 O 0.33482332377037 0.29597804313693 0.28080286698809 15.999 20 O 0.66517667622963 0.79597804313693 0.21919713301191 15.999 21 O 0.35037404845138 0.66375793343984 0.46092288739558 15.999 22 O 0.08430778665243 0.23945276160908 0.42843264177607 15.999 23 O 0.91569221334757 0.76054723839091 0.57156735822393 15.999 24 O 0.64962595154862 0.33624206656016 0.53907711260442 15.999 25 O 0.33482332377037 0.20402195686307 0.78080286698809 15.999 26 O 0.66517667622963 0.70402195686307 0.71919713301191 15.999 27 O 0.35037404845138 0.83624206656016 0.96092288739558 15.999 28 O 0.08430778665243 0.26054723839091 0.92843264177607 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.048387530403829 0.000000000000000 0.000000000000000 b 0.000000000000000 6.924027429999999 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): *1 Rb 0.71225769603326 0.45699558412981 0.89740784944144 85.468 > 1 *2 Rb 0.23895960072493 0.03706599535468 0.11791861502321 85.468 > 2 *3 Rb 0.88783854247238 0.41798331551796 0.18562581066838 85.468 > 3 4 Rb 0.11216145752762 0.91798331551796 0.31437418933161 85.468 > 4 5 Rb 0.76104039927507 0.53706599535468 0.38208138497679 85.468 > 5 6 Rb 0.28774230396674 0.95699558412981 0.60259215055856 85.468 > 6 7 Rb 0.71225769603326 0.04300441587019 0.39740784944144 85.468 > 7 8 Rb 0.23895960072493 0.46293400464532 0.61791861502321 85.468 > 8 9 Rb 0.88783854247238 0.08201668448204 0.68562581066839 85.468 > 9 10 Rb 0.11216145752762 0.58201668448204 0.81437418933161 85.468 > 10 11 Rb 0.76104039927507 0.96293400464532 0.88208138497679 85.468 > 11 12 Rb 0.28774230396674 0.54300441587019 0.10259215055856 85.468 > 12 *13 In 0.66760648457258 0.86835169121054 0.08457856195332 114.818 > 13 14 In 0.33239351542742 0.36835169121054 0.41542143804668 114.818 > 14 15 In 0.66760648457258 0.63164830878946 0.58457856195332 114.818 > 15 16 In 0.33239351542742 0.13164830878946 0.91542143804668 114.818 > 16 *17 O 0.91569221334757 0.73945276160909 0.07156735822393 15.999 > 17 *18 O 0.64962595154862 0.16375793343984 0.03907711260442 15.999 > 18 *19 O 0.33482332377037 0.29597804313693 0.28080286698809 15.999 > 19 20 O 0.66517667622963 0.79597804313693 0.21919713301191 15.999 > 20 21 O 0.35037404845138 0.66375793343984 0.46092288739558 15.999 > 21 22 O 0.08430778665243 0.23945276160908 0.42843264177607 15.999 > 22 23 O 0.91569221334757 0.76054723839091 0.57156735822393 15.999 > 23 24 O 0.64962595154862 0.33624206656016 0.53907711260442 15.999 > 24 25 O 0.33482332377037 0.20402195686307 0.78080286698809 15.999 > 25 26 O 0.66517667622963 0.70402195686307 0.71919713301191 15.999 > 26 27 O 0.35037404845138 0.83624206656016 0.96092288739558 15.999 > 27 28 O 0.08430778665243 0.26054723839091 0.92843264177607 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.096775060807659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.848054859999998 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): *1 Rb 0.35612884801663 0.22849779206491 0.89740784944144 85.468 > 1 2 Rb 0.85612884801663 0.22849779206491 0.89740784944144 85.468 > 1 3 Rb 0.35612884801663 0.72849779206491 0.89740784944144 85.468 > 1 4 Rb 0.85612884801663 0.72849779206491 0.89740784944144 85.468 > 1 *5 Rb 0.11947980036247 0.01853299767734 0.11791861502321 85.468 > 2 6 Rb 0.61947980036247 0.01853299767734 0.11791861502321 85.468 > 2 7 Rb 0.11947980036247 0.51853299767734 0.11791861502321 85.468 > 2 8 Rb 0.61947980036247 0.51853299767734 0.11791861502321 85.468 > 2 *9 Rb 0.44391927123619 0.20899165775898 0.18562581066838 85.468 > 3 10 Rb 0.94391927123619 0.20899165775898 0.18562581066838 85.468 > 3 11 Rb 0.44391927123619 0.70899165775898 0.18562581066838 85.468 > 3 12 Rb 0.94391927123619 0.70899165775898 0.18562581066838 85.468 > 3 13 Rb 0.05608072876381 0.45899165775898 0.31437418933161 85.468 > 4 14 Rb 0.55608072876381 0.45899165775898 0.31437418933161 85.468 > 4 15 Rb 0.05608072876381 0.95899165775898 0.31437418933161 85.468 > 4 16 Rb 0.55608072876381 0.95899165775898 0.31437418933161 85.468 > 4 17 Rb 0.38052019963753 0.26853299767734 0.38208138497679 85.468 > 5 18 Rb 0.88052019963753 0.26853299767734 0.38208138497679 85.468 > 5 19 Rb 0.38052019963753 0.76853299767734 0.38208138497679 85.468 > 5 20 Rb 0.88052019963753 0.76853299767734 0.38208138497679 85.468 > 5 21 Rb 0.14387115198337 0.47849779206491 0.60259215055856 85.468 > 6 22 Rb 0.64387115198337 0.47849779206491 0.60259215055856 85.468 > 6 23 Rb 0.14387115198337 0.97849779206491 0.60259215055856 85.468 > 6 24 Rb 0.64387115198337 0.97849779206491 0.60259215055856 85.468 > 6 25 Rb 0.35612884801663 0.02150220793509 0.39740784944144 85.468 > 7 26 Rb 0.85612884801663 0.02150220793509 0.39740784944144 85.468 > 7 27 Rb 0.35612884801663 0.52150220793509 0.39740784944144 85.468 > 7 28 Rb 0.85612884801663 0.52150220793509 0.39740784944144 85.468 > 7 29 Rb 0.11947980036247 0.23146700232266 0.61791861502321 85.468 > 8 30 Rb 0.61947980036247 0.23146700232266 0.61791861502321 85.468 > 8 31 Rb 0.11947980036247 0.73146700232266 0.61791861502321 85.468 > 8 32 Rb 0.61947980036247 0.73146700232266 0.61791861502321 85.468 > 8 33 Rb 0.44391927123619 0.04100834224102 0.68562581066839 85.468 > 9 34 Rb 0.94391927123619 0.04100834224102 0.68562581066839 85.468 > 9 35 Rb 0.44391927123619 0.54100834224102 0.68562581066839 85.468 > 9 36 Rb 0.94391927123619 0.54100834224102 0.68562581066839 85.468 > 9 37 Rb 0.05608072876381 0.29100834224102 0.81437418933161 85.468 > 10 38 Rb 0.55608072876381 0.29100834224102 0.81437418933161 85.468 > 10 39 Rb 0.05608072876381 0.79100834224102 0.81437418933161 85.468 > 10 40 Rb 0.55608072876381 0.79100834224102 0.81437418933161 85.468 > 10 41 Rb 0.38052019963753 0.48146700232266 0.88208138497679 85.468 > 11 42 Rb 0.88052019963753 0.48146700232266 0.88208138497679 85.468 > 11 43 Rb 0.38052019963753 0.98146700232266 0.88208138497679 85.468 > 11 44 Rb 0.88052019963753 0.98146700232266 0.88208138497679 85.468 > 11 45 Rb 0.14387115198337 0.27150220793509 0.10259215055856 85.468 > 12 46 Rb 0.64387115198337 0.27150220793509 0.10259215055856 85.468 > 12 47 Rb 0.14387115198337 0.77150220793509 0.10259215055856 85.468 > 12 48 Rb 0.64387115198337 0.77150220793509 0.10259215055856 85.468 > 12 *49 In 0.33380324228629 0.43417584560527 0.08457856195332 114.818 > 13 50 In 0.83380324228629 0.43417584560527 0.08457856195332 114.818 > 13 51 In 0.33380324228629 0.93417584560527 0.08457856195332 114.818 > 13 52 In 0.83380324228629 0.93417584560527 0.08457856195332 114.818 > 13 53 In 0.16619675771371 0.18417584560527 0.41542143804668 114.818 > 14 54 In 0.66619675771371 0.18417584560527 0.41542143804668 114.818 > 14 55 In 0.16619675771371 0.68417584560527 0.41542143804668 114.818 > 14 56 In 0.66619675771371 0.68417584560527 0.41542143804668 114.818 > 14 57 In 0.33380324228629 0.31582415439473 0.58457856195332 114.818 > 15 58 In 0.83380324228629 0.31582415439473 0.58457856195332 114.818 > 15 59 In 0.33380324228629 0.81582415439473 0.58457856195332 114.818 > 15 60 In 0.83380324228629 0.81582415439473 0.58457856195332 114.818 > 15 61 In 0.16619675771371 0.06582415439473 0.91542143804668 114.818 > 16 62 In 0.66619675771371 0.06582415439473 0.91542143804668 114.818 > 16 63 In 0.16619675771371 0.56582415439473 0.91542143804668 114.818 > 16 64 In 0.66619675771371 0.56582415439473 0.91542143804668 114.818 > 16 *65 O 0.45784610667378 0.36972638080454 0.07156735822393 15.999 > 17 66 O 0.95784610667378 0.36972638080454 0.07156735822393 15.999 > 17 67 O 0.45784610667378 0.86972638080454 0.07156735822393 15.999 > 17 68 O 0.95784610667378 0.86972638080454 0.07156735822393 15.999 > 17 *69 O 0.32481297577431 0.08187896671992 0.03907711260442 15.999 > 18 70 O 0.82481297577431 0.08187896671992 0.03907711260442 15.999 > 18 71 O 0.32481297577431 0.58187896671992 0.03907711260442 15.999 > 18 72 O 0.82481297577431 0.58187896671992 0.03907711260442 15.999 > 18 *73 O 0.16741166188519 0.14798902156846 0.28080286698809 15.999 > 19 74 O 0.66741166188519 0.14798902156846 0.28080286698809 15.999 > 19 75 O 0.16741166188519 0.64798902156846 0.28080286698809 15.999 > 19 76 O 0.66741166188519 0.64798902156846 0.28080286698809 15.999 > 19 77 O 0.33258833811481 0.39798902156846 0.21919713301191 15.999 > 20 78 O 0.83258833811481 0.39798902156846 0.21919713301191 15.999 > 20 79 O 0.33258833811481 0.89798902156846 0.21919713301191 15.999 > 20 80 O 0.83258833811481 0.89798902156846 0.21919713301191 15.999 > 20 81 O 0.17518702422569 0.33187896671992 0.46092288739558 15.999 > 21 82 O 0.67518702422569 0.33187896671992 0.46092288739558 15.999 > 21 83 O 0.17518702422569 0.83187896671992 0.46092288739558 15.999 > 21 84 O 0.67518702422569 0.83187896671992 0.46092288739558 15.999 > 21 85 O 0.04215389332622 0.11972638080454 0.42843264177607 15.999 > 22 86 O 0.54215389332622 0.11972638080454 0.42843264177607 15.999 > 22 87 O 0.04215389332622 0.61972638080454 0.42843264177607 15.999 > 22 88 O 0.54215389332622 0.61972638080454 0.42843264177607 15.999 > 22 89 O 0.45784610667378 0.38027361919546 0.57156735822393 15.999 > 23 90 O 0.95784610667378 0.38027361919546 0.57156735822393 15.999 > 23 91 O 0.45784610667378 0.88027361919546 0.57156735822393 15.999 > 23 92 O 0.95784610667378 0.88027361919546 0.57156735822393 15.999 > 23 93 O 0.32481297577431 0.16812103328008 0.53907711260442 15.999 > 24 94 O 0.82481297577431 0.16812103328008 0.53907711260442 15.999 > 24 95 O 0.32481297577431 0.66812103328008 0.53907711260442 15.999 > 24 96 O 0.82481297577431 0.66812103328008 0.53907711260442 15.999 > 24 97 O 0.16741166188519 0.10201097843154 0.78080286698809 15.999 > 25 98 O 0.66741166188519 0.10201097843154 0.78080286698809 15.999 > 25 99 O 0.16741166188519 0.60201097843154 0.78080286698809 15.999 > 25 100 O 0.66741166188519 0.60201097843154 0.78080286698809 15.999 > 25 101 O 0.33258833811481 0.35201097843154 0.71919713301191 15.999 > 26 102 O 0.83258833811481 0.35201097843154 0.71919713301191 15.999 > 26 103 O 0.33258833811481 0.85201097843154 0.71919713301191 15.999 > 26 104 O 0.83258833811481 0.85201097843154 0.71919713301191 15.999 > 26 105 O 0.17518702422569 0.41812103328008 0.96092288739558 15.999 > 27 106 O 0.67518702422569 0.41812103328008 0.96092288739558 15.999 > 27 107 O 0.17518702422569 0.91812103328008 0.96092288739558 15.999 > 27 108 O 0.67518702422569 0.91812103328008 0.96092288739558 15.999 > 27 109 O 0.04215389332622 0.13027361919546 0.92843264177607 15.999 > 28 110 O 0.54215389332622 0.13027361919546 0.92843264177607 15.999 > 28 111 O 0.04215389332622 0.63027361919546 0.92843264177607 15.999 > 28 112 O 0.54215389332622 0.63027361919546 0.92843264177607 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2941082 0.0000000 0.0175561 0.0000000 3.2208307 0.0000000 0.0175506 0.0000000 3.3141746 -------------------------- Born effective charges -------------------------- 1 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 2 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 3 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 4 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 5 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 6 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 7 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 8 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 9 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 10 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 11 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 12 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 13 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 14 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 15 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 16 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 17 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 18 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 19 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 20 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 21 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 22 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 23 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 24 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 25 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 26 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 27 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 28 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.938 Solver_block: 200 / 880 - Time: 0.808 Solver_block: 300 / 880 - Time: 0.811 Solver_block: 400 / 880 - Time: 0.811 Solver_block: 500 / 880 - Time: 0.807 Solver_block: 600 / 880 - Time: 0.807 Solver_block: 700 / 880 - Time: 0.805 Solver_block: 800 / 880 - Time: 0.803 Solver_block: 880 / 880 - Time: 0.708 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.473 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:28:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:28:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048387530403829 0.000000000000000 0.000000000000000 b 0.000000000000000 6.924027429999999 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): 1 Rb 0.71225769603326 0.45699558412981 0.89740784944144 85.468 2 Rb 0.23895960072493 0.03706599535468 0.11791861502321 85.468 3 Rb 0.88783854247238 0.41798331551796 0.18562581066838 85.468 4 Rb 0.11216145752762 0.91798331551796 0.31437418933161 85.468 5 Rb 0.76104039927507 0.53706599535468 0.38208138497679 85.468 6 Rb 0.28774230396674 0.95699558412981 0.60259215055856 85.468 7 Rb 0.71225769603326 0.04300441587019 0.39740784944144 85.468 8 Rb 0.23895960072493 0.46293400464532 0.61791861502321 85.468 9 Rb 0.88783854247238 0.08201668448204 0.68562581066839 85.468 10 Rb 0.11216145752762 0.58201668448204 0.81437418933161 85.468 11 Rb 0.76104039927507 0.96293400464532 0.88208138497679 85.468 12 Rb 0.28774230396674 0.54300441587019 0.10259215055856 85.468 13 In 0.66760648457258 0.86835169121054 0.08457856195332 114.818 14 In 0.33239351542742 0.36835169121054 0.41542143804668 114.818 15 In 0.66760648457258 0.63164830878946 0.58457856195332 114.818 16 In 0.33239351542742 0.13164830878946 0.91542143804668 114.818 17 O 0.91569221334757 0.73945276160909 0.07156735822393 15.999 18 O 0.64962595154862 0.16375793343984 0.03907711260442 15.999 19 O 0.33482332377037 0.29597804313693 0.28080286698809 15.999 20 O 0.66517667622963 0.79597804313693 0.21919713301191 15.999 21 O 0.35037404845138 0.66375793343984 0.46092288739558 15.999 22 O 0.08430778665243 0.23945276160908 0.42843264177607 15.999 23 O 0.91569221334757 0.76054723839091 0.57156735822393 15.999 24 O 0.64962595154862 0.33624206656016 0.53907711260442 15.999 25 O 0.33482332377037 0.20402195686307 0.78080286698809 15.999 26 O 0.66517667622963 0.70402195686307 0.71919713301191 15.999 27 O 0.35037404845138 0.83624206656016 0.96092288739558 15.999 28 O 0.08430778665243 0.26054723839091 0.92843264177607 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.096775060807659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.848054859999998 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): 1 Rb 0.35612884801663 0.22849779206491 0.89740784944144 85.468 > 1 2 Rb 0.85612884801663 0.22849779206491 0.89740784944144 85.468 > 1 3 Rb 0.35612884801663 0.72849779206491 0.89740784944144 85.468 > 1 4 Rb 0.85612884801663 0.72849779206491 0.89740784944144 85.468 > 1 5 Rb 0.11947980036247 0.01853299767734 0.11791861502321 85.468 > 5 6 Rb 0.61947980036247 0.01853299767734 0.11791861502321 85.468 > 5 7 Rb 0.11947980036247 0.51853299767734 0.11791861502321 85.468 > 5 8 Rb 0.61947980036247 0.51853299767734 0.11791861502321 85.468 > 5 9 Rb 0.44391927123619 0.20899165775898 0.18562581066838 85.468 > 9 10 Rb 0.94391927123619 0.20899165775898 0.18562581066838 85.468 > 9 11 Rb 0.44391927123619 0.70899165775898 0.18562581066838 85.468 > 9 12 Rb 0.94391927123619 0.70899165775898 0.18562581066838 85.468 > 9 13 Rb 0.05608072876381 0.45899165775898 0.31437418933161 85.468 > 13 14 Rb 0.55608072876381 0.45899165775898 0.31437418933161 85.468 > 13 15 Rb 0.05608072876381 0.95899165775898 0.31437418933161 85.468 > 13 16 Rb 0.55608072876381 0.95899165775898 0.31437418933161 85.468 > 13 17 Rb 0.38052019963753 0.26853299767734 0.38208138497679 85.468 > 17 18 Rb 0.88052019963753 0.26853299767734 0.38208138497679 85.468 > 17 19 Rb 0.38052019963753 0.76853299767734 0.38208138497679 85.468 > 17 20 Rb 0.88052019963753 0.76853299767734 0.38208138497679 85.468 > 17 21 Rb 0.14387115198337 0.47849779206491 0.60259215055856 85.468 > 21 22 Rb 0.64387115198337 0.47849779206491 0.60259215055856 85.468 > 21 23 Rb 0.14387115198337 0.97849779206491 0.60259215055856 85.468 > 21 24 Rb 0.64387115198337 0.97849779206491 0.60259215055856 85.468 > 21 25 Rb 0.35612884801663 0.02150220793509 0.39740784944144 85.468 > 25 26 Rb 0.85612884801663 0.02150220793509 0.39740784944144 85.468 > 25 27 Rb 0.35612884801663 0.52150220793509 0.39740784944144 85.468 > 25 28 Rb 0.85612884801663 0.52150220793509 0.39740784944144 85.468 > 25 29 Rb 0.11947980036247 0.23146700232266 0.61791861502321 85.468 > 29 30 Rb 0.61947980036247 0.23146700232266 0.61791861502321 85.468 > 29 31 Rb 0.11947980036247 0.73146700232266 0.61791861502321 85.468 > 29 32 Rb 0.61947980036247 0.73146700232266 0.61791861502321 85.468 > 29 33 Rb 0.44391927123619 0.04100834224102 0.68562581066839 85.468 > 33 34 Rb 0.94391927123619 0.04100834224102 0.68562581066839 85.468 > 33 35 Rb 0.44391927123619 0.54100834224102 0.68562581066839 85.468 > 33 36 Rb 0.94391927123619 0.54100834224102 0.68562581066839 85.468 > 33 37 Rb 0.05608072876381 0.29100834224102 0.81437418933161 85.468 > 37 38 Rb 0.55608072876381 0.29100834224102 0.81437418933161 85.468 > 37 39 Rb 0.05608072876381 0.79100834224102 0.81437418933161 85.468 > 37 40 Rb 0.55608072876381 0.79100834224102 0.81437418933161 85.468 > 37 41 Rb 0.38052019963753 0.48146700232266 0.88208138497679 85.468 > 41 42 Rb 0.88052019963753 0.48146700232266 0.88208138497679 85.468 > 41 43 Rb 0.38052019963753 0.98146700232266 0.88208138497679 85.468 > 41 44 Rb 0.88052019963753 0.98146700232266 0.88208138497679 85.468 > 41 45 Rb 0.14387115198337 0.27150220793509 0.10259215055856 85.468 > 45 46 Rb 0.64387115198337 0.27150220793509 0.10259215055856 85.468 > 45 47 Rb 0.14387115198337 0.77150220793509 0.10259215055856 85.468 > 45 48 Rb 0.64387115198337 0.77150220793509 0.10259215055856 85.468 > 45 49 In 0.33380324228629 0.43417584560527 0.08457856195332 114.818 > 49 50 In 0.83380324228629 0.43417584560527 0.08457856195332 114.818 > 49 51 In 0.33380324228629 0.93417584560527 0.08457856195332 114.818 > 49 52 In 0.83380324228629 0.93417584560527 0.08457856195332 114.818 > 49 53 In 0.16619675771371 0.18417584560527 0.41542143804668 114.818 > 53 54 In 0.66619675771371 0.18417584560527 0.41542143804668 114.818 > 53 55 In 0.16619675771371 0.68417584560527 0.41542143804668 114.818 > 53 56 In 0.66619675771371 0.68417584560527 0.41542143804668 114.818 > 53 57 In 0.33380324228629 0.31582415439473 0.58457856195332 114.818 > 57 58 In 0.83380324228629 0.31582415439473 0.58457856195332 114.818 > 57 59 In 0.33380324228629 0.81582415439473 0.58457856195332 114.818 > 57 60 In 0.83380324228629 0.81582415439473 0.58457856195332 114.818 > 57 61 In 0.16619675771371 0.06582415439473 0.91542143804668 114.818 > 61 62 In 0.66619675771371 0.06582415439473 0.91542143804668 114.818 > 61 63 In 0.16619675771371 0.56582415439473 0.91542143804668 114.818 > 61 64 In 0.66619675771371 0.56582415439473 0.91542143804668 114.818 > 61 65 O 0.45784610667378 0.36972638080454 0.07156735822393 15.999 > 65 66 O 0.95784610667378 0.36972638080454 0.07156735822393 15.999 > 65 67 O 0.45784610667378 0.86972638080454 0.07156735822393 15.999 > 65 68 O 0.95784610667378 0.86972638080454 0.07156735822393 15.999 > 65 69 O 0.32481297577431 0.08187896671992 0.03907711260442 15.999 > 69 70 O 0.82481297577431 0.08187896671992 0.03907711260442 15.999 > 69 71 O 0.32481297577431 0.58187896671992 0.03907711260442 15.999 > 69 72 O 0.82481297577431 0.58187896671992 0.03907711260442 15.999 > 69 73 O 0.16741166188519 0.14798902156846 0.28080286698809 15.999 > 73 74 O 0.66741166188519 0.14798902156846 0.28080286698809 15.999 > 73 75 O 0.16741166188519 0.64798902156846 0.28080286698809 15.999 > 73 76 O 0.66741166188519 0.64798902156846 0.28080286698809 15.999 > 73 77 O 0.33258833811481 0.39798902156846 0.21919713301191 15.999 > 77 78 O 0.83258833811481 0.39798902156846 0.21919713301191 15.999 > 77 79 O 0.33258833811481 0.89798902156846 0.21919713301191 15.999 > 77 80 O 0.83258833811481 0.89798902156846 0.21919713301191 15.999 > 77 81 O 0.17518702422569 0.33187896671992 0.46092288739558 15.999 > 81 82 O 0.67518702422569 0.33187896671992 0.46092288739558 15.999 > 81 83 O 0.17518702422569 0.83187896671992 0.46092288739558 15.999 > 81 84 O 0.67518702422569 0.83187896671992 0.46092288739558 15.999 > 81 85 O 0.04215389332622 0.11972638080454 0.42843264177607 15.999 > 85 86 O 0.54215389332622 0.11972638080454 0.42843264177607 15.999 > 85 87 O 0.04215389332622 0.61972638080454 0.42843264177607 15.999 > 85 88 O 0.54215389332622 0.61972638080454 0.42843264177607 15.999 > 85 89 O 0.45784610667378 0.38027361919546 0.57156735822393 15.999 > 89 90 O 0.95784610667378 0.38027361919546 0.57156735822393 15.999 > 89 91 O 0.45784610667378 0.88027361919546 0.57156735822393 15.999 > 89 92 O 0.95784610667378 0.88027361919546 0.57156735822393 15.999 > 89 93 O 0.32481297577431 0.16812103328008 0.53907711260442 15.999 > 93 94 O 0.82481297577431 0.16812103328008 0.53907711260442 15.999 > 93 95 O 0.32481297577431 0.66812103328008 0.53907711260442 15.999 > 93 96 O 0.82481297577431 0.66812103328008 0.53907711260442 15.999 > 93 97 O 0.16741166188519 0.10201097843154 0.78080286698809 15.999 > 97 98 O 0.66741166188519 0.10201097843154 0.78080286698809 15.999 > 97 99 O 0.16741166188519 0.60201097843154 0.78080286698809 15.999 > 97 100 O 0.66741166188519 0.60201097843154 0.78080286698809 15.999 > 97 101 O 0.33258833811481 0.35201097843154 0.71919713301191 15.999 > 101 102 O 0.83258833811481 0.35201097843154 0.71919713301191 15.999 > 101 103 O 0.33258833811481 0.85201097843154 0.71919713301191 15.999 > 101 104 O 0.83258833811481 0.85201097843154 0.71919713301191 15.999 > 101 105 O 0.17518702422569 0.41812103328008 0.96092288739558 15.999 > 105 106 O 0.67518702422569 0.41812103328008 0.96092288739558 15.999 > 105 107 O 0.17518702422569 0.91812103328008 0.96092288739558 15.999 > 105 108 O 0.67518702422569 0.91812103328008 0.96092288739558 15.999 > 105 109 O 0.04215389332622 0.13027361919546 0.92843264177607 15.999 > 109 110 O 0.54215389332622 0.13027361919546 0.92843264177607 15.999 > 109 111 O 0.04215389332622 0.63027361919546 0.92843264177607 15.999 > 109 112 O 0.54215389332622 0.63027361919546 0.92843264177607 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2941082 0.0000000 0.0175561 0.0000000 3.2208307 0.0000000 0.0175506 0.0000000 3.3141746 -------------------------- Born effective charges -------------------------- 1 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 2 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 3 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 4 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 5 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 6 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 7 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 8 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 9 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 10 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 11 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 12 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 13 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 14 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 15 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 16 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 17 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 18 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 19 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 20 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 21 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 22 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 23 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 24 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 25 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 26 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 27 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 28 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 5, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 69, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000075 (xyx) 0.00000075 (xyx) 0.00000075 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000046 (xz) -0.00000046 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:28:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:28:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.048387530403829 0.000000000000000 0.000000000000000 b 0.000000000000000 6.924027429999999 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): 1 Rb 0.71225769603326 0.45699558412981 0.89740784944144 85.468 2 Rb 0.23895960072493 0.03706599535468 0.11791861502321 85.468 3 Rb 0.88783854247238 0.41798331551796 0.18562581066838 85.468 4 Rb 0.11216145752762 0.91798331551796 0.31437418933161 85.468 5 Rb 0.76104039927507 0.53706599535468 0.38208138497679 85.468 6 Rb 0.28774230396674 0.95699558412981 0.60259215055856 85.468 7 Rb 0.71225769603326 0.04300441587019 0.39740784944144 85.468 8 Rb 0.23895960072493 0.46293400464532 0.61791861502321 85.468 9 Rb 0.88783854247238 0.08201668448204 0.68562581066839 85.468 10 Rb 0.11216145752762 0.58201668448204 0.81437418933161 85.468 11 Rb 0.76104039927507 0.96293400464532 0.88208138497679 85.468 12 Rb 0.28774230396674 0.54300441587019 0.10259215055856 85.468 13 In 0.66760648457258 0.86835169121054 0.08457856195332 114.818 14 In 0.33239351542742 0.36835169121054 0.41542143804668 114.818 15 In 0.66760648457258 0.63164830878946 0.58457856195332 114.818 16 In 0.33239351542742 0.13164830878946 0.91542143804668 114.818 17 O 0.91569221334757 0.73945276160909 0.07156735822393 15.999 18 O 0.64962595154862 0.16375793343984 0.03907711260442 15.999 19 O 0.33482332377037 0.29597804313693 0.28080286698809 15.999 20 O 0.66517667622963 0.79597804313693 0.21919713301191 15.999 21 O 0.35037404845138 0.66375793343984 0.46092288739558 15.999 22 O 0.08430778665243 0.23945276160908 0.42843264177607 15.999 23 O 0.91569221334757 0.76054723839091 0.57156735822393 15.999 24 O 0.64962595154862 0.33624206656016 0.53907711260442 15.999 25 O 0.33482332377037 0.20402195686307 0.78080286698809 15.999 26 O 0.66517667622963 0.70402195686307 0.71919713301191 15.999 27 O 0.35037404845138 0.83624206656016 0.96092288739558 15.999 28 O 0.08430778665243 0.26054723839091 0.92843264177607 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.096775060807659 0.000000000000000 0.000000000000000 b 0.000000000000000 13.848054859999998 0.000000000000000 c -6.959664270714118 0.000000000000000 12.963585350997858 Atomic positions (fractional): 1 Rb 0.35612884801663 0.22849779206491 0.89740784944144 85.468 > 1 2 Rb 0.85612884801663 0.22849779206491 0.89740784944144 85.468 > 1 3 Rb 0.35612884801663 0.72849779206491 0.89740784944144 85.468 > 1 4 Rb 0.85612884801663 0.72849779206491 0.89740784944144 85.468 > 1 5 Rb 0.11947980036247 0.01853299767734 0.11791861502321 85.468 > 5 6 Rb 0.61947980036247 0.01853299767734 0.11791861502321 85.468 > 5 7 Rb 0.11947980036247 0.51853299767734 0.11791861502321 85.468 > 5 8 Rb 0.61947980036247 0.51853299767734 0.11791861502321 85.468 > 5 9 Rb 0.44391927123619 0.20899165775898 0.18562581066838 85.468 > 9 10 Rb 0.94391927123619 0.20899165775898 0.18562581066838 85.468 > 9 11 Rb 0.44391927123619 0.70899165775898 0.18562581066838 85.468 > 9 12 Rb 0.94391927123619 0.70899165775898 0.18562581066838 85.468 > 9 13 Rb 0.05608072876381 0.45899165775898 0.31437418933161 85.468 > 13 14 Rb 0.55608072876381 0.45899165775898 0.31437418933161 85.468 > 13 15 Rb 0.05608072876381 0.95899165775898 0.31437418933161 85.468 > 13 16 Rb 0.55608072876381 0.95899165775898 0.31437418933161 85.468 > 13 17 Rb 0.38052019963753 0.26853299767734 0.38208138497679 85.468 > 17 18 Rb 0.88052019963753 0.26853299767734 0.38208138497679 85.468 > 17 19 Rb 0.38052019963753 0.76853299767734 0.38208138497679 85.468 > 17 20 Rb 0.88052019963753 0.76853299767734 0.38208138497679 85.468 > 17 21 Rb 0.14387115198337 0.47849779206491 0.60259215055856 85.468 > 21 22 Rb 0.64387115198337 0.47849779206491 0.60259215055856 85.468 > 21 23 Rb 0.14387115198337 0.97849779206491 0.60259215055856 85.468 > 21 24 Rb 0.64387115198337 0.97849779206491 0.60259215055856 85.468 > 21 25 Rb 0.35612884801663 0.02150220793509 0.39740784944144 85.468 > 25 26 Rb 0.85612884801663 0.02150220793509 0.39740784944144 85.468 > 25 27 Rb 0.35612884801663 0.52150220793509 0.39740784944144 85.468 > 25 28 Rb 0.85612884801663 0.52150220793509 0.39740784944144 85.468 > 25 29 Rb 0.11947980036247 0.23146700232266 0.61791861502321 85.468 > 29 30 Rb 0.61947980036247 0.23146700232266 0.61791861502321 85.468 > 29 31 Rb 0.11947980036247 0.73146700232266 0.61791861502321 85.468 > 29 32 Rb 0.61947980036247 0.73146700232266 0.61791861502321 85.468 > 29 33 Rb 0.44391927123619 0.04100834224102 0.68562581066839 85.468 > 33 34 Rb 0.94391927123619 0.04100834224102 0.68562581066839 85.468 > 33 35 Rb 0.44391927123619 0.54100834224102 0.68562581066839 85.468 > 33 36 Rb 0.94391927123619 0.54100834224102 0.68562581066839 85.468 > 33 37 Rb 0.05608072876381 0.29100834224102 0.81437418933161 85.468 > 37 38 Rb 0.55608072876381 0.29100834224102 0.81437418933161 85.468 > 37 39 Rb 0.05608072876381 0.79100834224102 0.81437418933161 85.468 > 37 40 Rb 0.55608072876381 0.79100834224102 0.81437418933161 85.468 > 37 41 Rb 0.38052019963753 0.48146700232266 0.88208138497679 85.468 > 41 42 Rb 0.88052019963753 0.48146700232266 0.88208138497679 85.468 > 41 43 Rb 0.38052019963753 0.98146700232266 0.88208138497679 85.468 > 41 44 Rb 0.88052019963753 0.98146700232266 0.88208138497679 85.468 > 41 45 Rb 0.14387115198337 0.27150220793509 0.10259215055856 85.468 > 45 46 Rb 0.64387115198337 0.27150220793509 0.10259215055856 85.468 > 45 47 Rb 0.14387115198337 0.77150220793509 0.10259215055856 85.468 > 45 48 Rb 0.64387115198337 0.77150220793509 0.10259215055856 85.468 > 45 49 In 0.33380324228629 0.43417584560527 0.08457856195332 114.818 > 49 50 In 0.83380324228629 0.43417584560527 0.08457856195332 114.818 > 49 51 In 0.33380324228629 0.93417584560527 0.08457856195332 114.818 > 49 52 In 0.83380324228629 0.93417584560527 0.08457856195332 114.818 > 49 53 In 0.16619675771371 0.18417584560527 0.41542143804668 114.818 > 53 54 In 0.66619675771371 0.18417584560527 0.41542143804668 114.818 > 53 55 In 0.16619675771371 0.68417584560527 0.41542143804668 114.818 > 53 56 In 0.66619675771371 0.68417584560527 0.41542143804668 114.818 > 53 57 In 0.33380324228629 0.31582415439473 0.58457856195332 114.818 > 57 58 In 0.83380324228629 0.31582415439473 0.58457856195332 114.818 > 57 59 In 0.33380324228629 0.81582415439473 0.58457856195332 114.818 > 57 60 In 0.83380324228629 0.81582415439473 0.58457856195332 114.818 > 57 61 In 0.16619675771371 0.06582415439473 0.91542143804668 114.818 > 61 62 In 0.66619675771371 0.06582415439473 0.91542143804668 114.818 > 61 63 In 0.16619675771371 0.56582415439473 0.91542143804668 114.818 > 61 64 In 0.66619675771371 0.56582415439473 0.91542143804668 114.818 > 61 65 O 0.45784610667378 0.36972638080454 0.07156735822393 15.999 > 65 66 O 0.95784610667378 0.36972638080454 0.07156735822393 15.999 > 65 67 O 0.45784610667378 0.86972638080454 0.07156735822393 15.999 > 65 68 O 0.95784610667378 0.86972638080454 0.07156735822393 15.999 > 65 69 O 0.32481297577431 0.08187896671992 0.03907711260442 15.999 > 69 70 O 0.82481297577431 0.08187896671992 0.03907711260442 15.999 > 69 71 O 0.32481297577431 0.58187896671992 0.03907711260442 15.999 > 69 72 O 0.82481297577431 0.58187896671992 0.03907711260442 15.999 > 69 73 O 0.16741166188519 0.14798902156846 0.28080286698809 15.999 > 73 74 O 0.66741166188519 0.14798902156846 0.28080286698809 15.999 > 73 75 O 0.16741166188519 0.64798902156846 0.28080286698809 15.999 > 73 76 O 0.66741166188519 0.64798902156846 0.28080286698809 15.999 > 73 77 O 0.33258833811481 0.39798902156846 0.21919713301191 15.999 > 77 78 O 0.83258833811481 0.39798902156846 0.21919713301191 15.999 > 77 79 O 0.33258833811481 0.89798902156846 0.21919713301191 15.999 > 77 80 O 0.83258833811481 0.89798902156846 0.21919713301191 15.999 > 77 81 O 0.17518702422569 0.33187896671992 0.46092288739558 15.999 > 81 82 O 0.67518702422569 0.33187896671992 0.46092288739558 15.999 > 81 83 O 0.17518702422569 0.83187896671992 0.46092288739558 15.999 > 81 84 O 0.67518702422569 0.83187896671992 0.46092288739558 15.999 > 81 85 O 0.04215389332622 0.11972638080454 0.42843264177607 15.999 > 85 86 O 0.54215389332622 0.11972638080454 0.42843264177607 15.999 > 85 87 O 0.04215389332622 0.61972638080454 0.42843264177607 15.999 > 85 88 O 0.54215389332622 0.61972638080454 0.42843264177607 15.999 > 85 89 O 0.45784610667378 0.38027361919546 0.57156735822393 15.999 > 89 90 O 0.95784610667378 0.38027361919546 0.57156735822393 15.999 > 89 91 O 0.45784610667378 0.88027361919546 0.57156735822393 15.999 > 89 92 O 0.95784610667378 0.88027361919546 0.57156735822393 15.999 > 89 93 O 0.32481297577431 0.16812103328008 0.53907711260442 15.999 > 93 94 O 0.82481297577431 0.16812103328008 0.53907711260442 15.999 > 93 95 O 0.32481297577431 0.66812103328008 0.53907711260442 15.999 > 93 96 O 0.82481297577431 0.66812103328008 0.53907711260442 15.999 > 93 97 O 0.16741166188519 0.10201097843154 0.78080286698809 15.999 > 97 98 O 0.66741166188519 0.10201097843154 0.78080286698809 15.999 > 97 99 O 0.16741166188519 0.60201097843154 0.78080286698809 15.999 > 97 100 O 0.66741166188519 0.60201097843154 0.78080286698809 15.999 > 97 101 O 0.33258833811481 0.35201097843154 0.71919713301191 15.999 > 101 102 O 0.83258833811481 0.35201097843154 0.71919713301191 15.999 > 101 103 O 0.33258833811481 0.85201097843154 0.71919713301191 15.999 > 101 104 O 0.83258833811481 0.85201097843154 0.71919713301191 15.999 > 101 105 O 0.17518702422569 0.41812103328008 0.96092288739558 15.999 > 105 106 O 0.67518702422569 0.41812103328008 0.96092288739558 15.999 > 105 107 O 0.17518702422569 0.91812103328008 0.96092288739558 15.999 > 105 108 O 0.67518702422569 0.91812103328008 0.96092288739558 15.999 > 105 109 O 0.04215389332622 0.13027361919546 0.92843264177607 15.999 > 109 110 O 0.54215389332622 0.13027361919546 0.92843264177607 15.999 > 109 111 O 0.04215389332622 0.63027361919546 0.92843264177607 15.999 > 109 112 O 0.54215389332622 0.63027361919546 0.92843264177607 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2941082 0.0000000 0.0175561 0.0000000 3.2208307 0.0000000 0.0175506 0.0000000 3.3141746 -------------------------- Born effective charges -------------------------- 1 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 2 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 3 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 4 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 5 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 6 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 7 Rb 1.2226382 -0.0390077 -0.0222275 -0.0582263 1.2617102 -0.0346983 -0.0280509 0.0628926 1.1439243 8 Rb 1.1847874 0.0132632 -0.0729611 0.0206006 1.0596837 -0.1178916 -0.0231801 -0.1166486 1.2019518 9 Rb 1.0171785 0.0049804 0.1289937 -0.0264913 1.3133136 -0.0281434 0.1207745 0.0199286 1.2028464 10 Rb 1.0171785 -0.0049804 0.1289937 0.0264913 1.3133136 0.0281434 0.1207745 -0.0199286 1.2028464 11 Rb 1.1847874 -0.0132632 -0.0729611 -0.0206006 1.0596837 0.1178916 -0.0231801 0.1166486 1.2019518 12 Rb 1.2226382 0.0390077 -0.0222275 0.0582263 1.2617102 0.0346983 -0.0280509 -0.0628926 1.1439243 13 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 14 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 15 In 2.3784191 0.3249173 -0.0006639 0.3356705 1.9134276 0.4905875 0.0036247 0.5715615 2.4042321 16 In 2.3784191 -0.3249173 -0.0006639 -0.3356705 1.9134276 -0.4905875 0.0036247 -0.5715615 2.4042321 17 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 18 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 19 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 20 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 21 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 22 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 23 O -2.2609497 -0.3221094 0.0812997 -0.3354317 -1.8511154 -0.0115085 0.0405020 -0.1549540 -1.6551391 24 O -1.7238353 0.0896555 -0.3108770 0.1162392 -2.0833709 -0.0618579 -0.3202662 -0.0818200 -1.9770344 25 O -1.8182382 -0.0794089 0.1964362 -0.0396338 -1.6136489 0.1631136 0.2065960 0.2564137 -2.3207811 26 O -1.8182382 0.0794089 0.1964362 0.0396338 -1.6136489 -0.1631136 0.2065960 -0.2564137 -2.3207811 27 O -1.7238353 -0.0896555 -0.3108770 -0.1162392 -2.0833709 0.0618579 -0.3202662 0.0818200 -1.9770344 28 O -2.2609497 0.3221094 0.0812997 0.3354317 -1.8511154 0.0115085 0.0405020 0.1549540 -1.6551391 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000075 (xyx) 0.00000075 (xyx) 0.00000075 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 0.935 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.008 ( 0.000 0.000 0.000) 0.000 1.170 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.536 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.886 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 11.803 ( 0.000 0.000 0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 14.726 ( 0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.126 ( 0.000 0.000 0.000) 0.000 15.145 ( 0.000 0.000 0.000) 0.000 15.686 ( 0.000 0.000 0.000) 0.000 15.884 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 16.310 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 12.732 0.000 11.484) 17.145 0.373 ( 19.866 0.000 1.358) 19.913 0.661 ( 25.334 0.000 19.717) 32.102 0.909 ( 0.215 0.000 -4.980) 4.985 1.008 ( 2.338 0.000 3.807) 4.468 1.161 ( 12.174 0.000 -3.344) 12.625 1.251 ( 5.172 0.000 2.689) 5.829 1.347 ( 7.737 0.000 -0.570) 7.758 1.386 ( -2.316 0.000 -3.343) 4.067 1.542 ( -1.550 0.000 -0.105) 1.554 1.596 ( 3.121 0.000 1.677) 3.543 1.597 ( -4.582 0.000 -6.614) 8.046 1.631 ( -3.802 0.000 4.503) 5.893 1.747 ( -3.625 0.000 1.287) 3.847 1.862 ( -4.656 0.000 -1.111) 4.787 1.865 ( 1.769 0.000 1.993) 2.665 1.925 ( 4.240 0.000 -0.044) 4.241 1.966 ( 2.573 0.000 -1.902) 3.200 1.999 ( -0.272 0.000 -2.486) 2.500 2.028 ( -0.034 0.000 3.142) 3.142 2.200 ( 2.270 0.000 3.070) 3.818 2.271 ( 2.295 0.000 2.698) 3.543 2.277 ( 1.624 0.000 -4.397) 4.687 2.360 ( -6.731 0.000 -10.515) 12.485 2.360 ( 1.785 0.000 3.671) 4.082 2.436 ( 3.746 0.000 -2.587) 4.552 2.585 ( -3.872 0.000 -7.309) 8.272 2.601 ( -2.519 0.000 5.225) 5.801 2.665 ( -2.816 0.000 -4.245) 5.094 2.728 ( 1.585 0.000 -3.583) 3.918 2.755 ( -2.862 0.000 0.566) 2.918 2.916 ( -0.532 0.000 -0.906) 1.051 2.956 ( -0.151 0.000 -4.138) 4.141 3.015 ( -4.629 0.000 -7.463) 8.782 3.086 ( 5.032 0.000 4.941) 7.052 3.162 ( 1.552 0.000 -0.007) 1.552 3.250 ( -2.320 0.000 1.240) 2.630 3.329 ( -0.320 0.000 -5.646) 5.655 3.361 ( -0.470 0.000 4.160) 4.187 3.432 ( 2.360 0.000 2.415) 3.377 3.543 ( 8.043 0.000 -10.048) 12.871 3.649 ( -1.224 0.000 8.889) 8.973 3.671 ( -0.551 0.000 0.373) 0.665 3.753 ( -2.900 0.000 0.097) 2.901 3.801 ( 4.903 0.000 3.285) 5.902 3.824 ( -6.725 0.000 2.994) 7.361 3.965 ( 1.354 0.000 -1.505) 2.025 4.040 ( -0.274 0.000 -2.388) 2.403 4.563 ( 1.532 0.000 3.723) 4.026 4.900 ( -2.006 0.000 -7.974) 8.222 4.970 ( -7.631 0.000 7.709) 10.847 5.047 ( 4.295 0.000 -2.873) 5.167 5.108 ( -0.949 0.000 -2.223) 2.418 5.205 ( 3.129 0.000 -2.167) 3.806 5.276 ( 7.783 0.000 -1.526) 7.932 5.608 ( 1.578 0.000 1.684) 2.308 5.816 ( 0.659 0.000 -1.690) 1.814 5.855 ( -0.956 0.000 -0.030) 0.956 6.115 ( -4.453 0.000 -1.334) 4.648 6.128 ( -1.194 0.000 0.825) 1.452 6.763 ( -2.543 0.000 11.696) 11.969 6.792 ( -9.014 0.000 -6.012) 10.835 6.893 ( -21.741 0.000 43.534) 48.661 6.949 ( -4.901 0.000 -6.240) 7.935 7.780 ( 3.530 0.000 5.292) 6.361 7.809 ( -0.255 0.000 -12.970) 12.972 8.062 ( 15.394 0.000 -26.378) 30.541 8.112 ( 5.031 0.000 4.390) 6.677 11.810 ( 0.428 0.000 0.666) 0.791 11.814 ( 0.594 0.000 -0.215) 0.632 12.536 ( -1.812 0.000 0.425) 1.861 12.571 ( -2.298 0.000 -0.051) 2.299 14.120 ( -8.130 0.000 -11.271) 13.897 14.173 ( -29.613 0.000 58.655) 65.706 14.735 ( 1.115 0.000 -0.081) 1.118 14.740 ( 1.288 0.000 0.311) 1.325 15.028 ( 0.795 0.000 2.105) 2.250 15.070 ( -3.891 0.000 -0.742) 3.961 15.604 ( 19.447 0.000 -38.088) 42.765 15.818 ( 8.092 0.000 7.314) 10.907 15.976 ( -1.450 0.000 -0.403) 1.505 16.168 ( 2.454 0.000 -8.614) 8.957 16.319 ( 1.773 0.000 -1.856) 2.567 16.492 ( 2.151 0.000 2.011) 2.944 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 13.402 0.000 10.789) 17.205 0.722 ( 17.614 0.000 1.613) 17.688 0.881 ( 3.658 0.000 -7.225) 8.099 1.079 ( -0.785 0.000 1.998) 2.146 1.195 ( 10.847 0.000 7.218) 13.029 1.259 ( 4.481 0.000 -11.928) 12.742 1.342 ( 4.525 0.000 0.266) 4.532 1.368 ( 4.123 0.000 0.553) 4.160 1.432 ( 4.648 0.000 -1.717) 4.955 1.472 ( -2.810 0.000 -1.577) 3.222 1.492 ( -0.914 0.000 1.124) 1.448 1.609 ( -2.523 0.000 3.209) 4.082 1.664 ( -0.171 0.000 3.436) 3.440 1.716 ( -2.171 0.000 1.808) 2.825 1.805 ( 0.461 0.000 -0.658) 0.804 1.940 ( 3.386 0.000 1.362) 3.649 1.962 ( 0.109 0.000 -2.000) 2.003 1.993 ( 0.943 0.000 2.915) 3.064 2.031 ( -2.782 0.000 0.142) 2.786 2.060 ( 8.876 0.000 0.798) 8.911 2.171 ( -2.183 0.000 -8.340) 8.621 2.246 ( 2.911 0.000 -1.289) 3.184 2.286 ( 3.201 0.000 -4.854) 5.815 2.332 ( 0.219 0.000 2.652) 2.661 2.421 ( -2.974 0.000 -8.445) 8.953 2.429 ( -0.631 0.000 4.608) 4.651 2.513 ( 2.740 0.000 8.350) 8.788 2.598 ( -3.283 0.000 5.484) 6.392 2.610 ( 0.638 0.000 -2.889) 2.958 2.709 ( -3.013 0.000 3.940) 4.960 2.710 ( 0.093 0.000 -6.632) 6.633 2.755 ( -7.485 0.000 -2.663) 7.944 2.927 ( 1.567 0.000 -4.740) 4.992 2.943 ( -1.752 0.000 -2.476) 3.033 3.175 ( 0.810 0.000 -2.788) 2.903 3.186 ( 2.760 0.000 1.032) 2.947 3.266 ( 1.132 0.000 2.931) 3.141 3.293 ( 1.251 0.000 -2.783) 3.051 3.399 ( -0.031 0.000 3.658) 3.659 3.515 ( 2.330 0.000 5.861) 6.307 3.546 ( -1.861 0.000 -3.984) 4.398 3.613 ( -5.784 0.000 -4.416) 7.277 3.690 ( -2.865 0.000 0.973) 3.026 3.692 ( -4.204 0.000 7.351) 8.468 3.763 ( 0.386 0.000 0.164) 0.419 3.867 ( 0.361 0.000 -0.130) 0.384 3.987 ( 2.284 0.000 -1.132) 2.550 4.044 ( 1.581 0.000 1.020) 1.882 4.620 ( 0.513 0.000 4.044) 4.076 4.758 ( -5.585 0.000 -6.665) 8.696 4.950 ( -1.674 0.000 6.678) 6.884 5.028 ( -3.001 0.000 -5.076) 5.897 5.131 ( 5.579 0.000 -0.016) 5.580 5.279 ( 6.370 0.000 -1.043) 6.455 5.385 ( 6.278 0.000 -2.038) 6.601 5.661 ( 1.808 0.000 2.427) 3.027 5.800 ( -1.253 0.000 -1.535) 1.981 5.834 ( -1.156 0.000 -0.027) 1.157 6.012 ( -4.581 0.000 -1.660) 4.873 6.108 ( -2.387 0.000 1.729) 2.947 6.529 ( -10.057 0.000 -10.107) 14.258 6.777 ( -6.484 0.000 -7.124) 9.633 6.814 ( -2.454 0.000 7.373) 7.771 6.956 ( -7.169 0.000 23.539) 24.607 7.665 ( -2.103 0.000 -11.754) 11.941 7.919 ( 5.108 0.000 6.773) 8.484 8.067 ( 5.802 0.000 -12.240) 13.545 8.255 ( 4.249 0.000 5.923) 7.289 11.826 ( 0.738 0.000 0.006) 0.738 11.829 ( 0.817 0.000 1.056) 1.335 12.497 ( -2.828 0.000 0.200) 2.835 12.520 ( -3.035 0.000 0.003) 3.035 13.812 ( -9.696 0.000 -16.294) 18.961 14.219 ( -11.291 0.000 26.666) 28.958 14.759 ( 1.524 0.000 -0.090) 1.526 14.769 ( 1.372 0.000 0.323) 1.409 15.015 ( -1.708 0.000 -0.245) 1.726 15.075 ( 1.157 0.000 4.040) 4.202 15.573 ( 8.430 0.000 -20.434) 22.105 15.930 ( -0.693 0.000 -2.666) 2.754 16.045 ( 5.601 0.000 10.528) 11.925 16.127 ( -1.061 0.000 -1.967) 2.235 16.330 ( 1.495 0.000 -2.022) 2.515 16.561 ( 2.156 0.000 3.130) 3.801 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 6.079 0.000 -6.059) 8.583 0.948 ( 0.145 0.000 5.392) 5.394 1.019 ( 12.821 0.000 2.256) 13.017 1.050 ( 6.321 0.000 3.364) 7.160 1.140 ( -4.675 0.000 -5.538) 7.247 1.185 ( 2.608 0.000 -14.289) 14.525 1.383 ( -5.508 0.000 1.046) 5.607 1.393 ( -1.256 0.000 -3.987) 4.180 1.413 ( 0.630 0.000 1.311) 1.455 1.494 ( 1.846 0.000 6.096) 6.369 1.545 ( -4.653 0.000 1.246) 4.817 1.640 ( -3.937 0.000 0.356) 3.953 1.708 ( -1.000 0.000 3.134) 3.290 1.757 ( 12.528 0.000 -0.375) 12.533 1.859 ( 5.246 0.000 2.079) 5.643 1.910 ( -3.273 0.000 -4.594) 5.641 1.936 ( -1.389 0.000 -2.602) 2.949 2.010 ( -1.530 0.000 1.305) 2.011 2.015 ( 1.702 0.000 -1.344) 2.169 2.129 ( 2.028 0.000 -1.855) 2.748 2.239 ( -1.066 0.000 -1.679) 1.989 2.263 ( -1.855 0.000 -1.626) 2.467 2.279 ( 9.316 0.000 5.104) 10.623 2.374 ( 1.395 0.000 -2.611) 2.960 2.377 ( 0.174 0.000 4.413) 4.416 2.437 ( -0.343 0.000 3.171) 3.189 2.571 ( -1.614 0.000 5.617) 5.844 2.583 ( -2.328 0.000 -4.515) 5.080 2.606 ( -0.052 0.000 3.326) 3.326 2.624 ( 3.559 0.000 -3.046) 4.684 2.745 ( 1.695 0.000 1.828) 2.494 2.821 ( 3.974 0.000 9.963) 10.727 2.898 ( -0.851 0.000 -1.651) 1.858 2.923 ( 3.720 0.000 -3.163) 4.883 3.115 ( -4.305 0.000 -5.132) 6.699 3.240 ( 1.985 0.000 0.989) 2.218 3.285 ( -0.152 0.000 0.080) 0.172 3.305 ( 0.050 0.000 -0.354) 0.357 3.370 ( -7.135 0.000 -8.671) 11.229 3.416 ( -2.577 0.000 4.000) 4.758 3.480 ( -4.293 0.000 -2.826) 5.139 3.599 ( 1.695 0.000 3.032) 3.474 3.660 ( -3.258 0.000 2.624) 4.183 3.678 ( -0.126 0.000 0.895) 0.904 3.811 ( 3.228 0.000 -0.261) 3.238 3.830 ( -3.562 0.000 -0.244) 3.570 4.015 ( 1.435 0.000 0.583) 1.549 4.084 ( 1.169 0.000 0.941) 1.500 4.595 ( -5.782 0.000 -5.039) 7.670 4.664 ( 0.717 0.000 2.863) 2.951 4.937 ( -1.961 0.000 -3.550) 4.056 5.020 ( 1.979 0.000 5.396) 5.747 5.211 ( 3.261 0.000 -0.801) 3.358 5.404 ( 8.480 0.000 -0.476) 8.493 5.460 ( 3.982 0.000 -1.294) 4.187 5.703 ( -1.540 0.000 3.183) 3.536 5.722 ( -4.422 0.000 -2.049) 4.873 5.820 ( -0.287 0.000 -0.159) 0.327 5.948 ( -0.742 0.000 -1.748) 1.899 6.078 ( -2.921 0.000 1.983) 3.531 6.305 ( -4.516 0.000 -7.658) 8.891 6.610 ( -5.052 0.000 -4.872) 7.018 6.827 ( -2.631 0.000 5.456) 6.057 7.059 ( -1.290 0.000 11.914) 11.983 7.533 ( -1.960 0.000 -7.262) 7.522 8.043 ( 2.278 0.000 -7.055) 7.413 8.067 ( 4.445 0.000 5.142) 6.796 8.346 ( 0.758 0.000 3.513) 3.594 11.837 ( 0.286 0.000 0.217) 0.359 11.854 ( 0.791 0.000 0.861) 1.169 12.449 ( -2.272 0.000 -0.100) 2.275 12.474 ( -1.985 0.000 0.051) 1.986 13.533 ( -5.307 0.000 -11.691) 12.840 14.270 ( -4.180 0.000 12.245) 12.939 14.783 ( 1.056 0.000 -0.052) 1.058 14.790 ( 0.642 0.000 0.186) 0.669 14.999 ( -0.182 0.000 -0.107) 0.211 15.138 ( 0.889 0.000 4.662) 4.746 15.517 ( 3.293 0.000 -12.369) 12.800 15.892 ( -0.925 0.000 -1.495) 1.758 16.100 ( -0.882 0.000 -0.026) 0.882 16.212 ( 3.505 0.000 6.561) 7.438 16.333 ( 0.719 0.000 -1.352) 1.531 16.609 ( 0.321 0.000 2.002) 2.027 ======================= Grid point 4 (5/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.176 ( -0.000 0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.284 ( -0.000 0.000 -0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 1.979 ( -0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 -0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 -0.000) 0.000 2.361 ( -0.000 0.000 0.000) 0.000 2.391 ( -0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.662 ( -0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.815 ( -0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 -0.000) 0.000 3.113 ( 0.000 0.000 -0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 -0.000) 0.000 3.331 ( 0.000 0.000 -0.000) 0.000 3.388 ( -0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.647 ( -0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 -0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 -0.000) 0.000 5.578 ( -0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.456 ( 0.000 0.000 0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 14.796 ( 0.000 0.000 0.000) 0.000 14.998 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 -0.000) 0.000 16.278 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( 0.000 11.256 0.000) 11.256 0.368 ( 0.000 17.126 0.000) 17.126 0.663 ( 0.000 30.643 0.000) 30.643 0.849 ( 0.000 -0.206 0.000) 0.206 1.011 ( 0.000 0.629 0.000) 0.629 1.211 ( 0.000 11.004 0.000) 11.004 1.244 ( 0.000 4.955 0.000) 4.955 1.308 ( 0.000 3.581 0.000) 3.581 1.510 ( 0.000 -0.986 0.000) 0.986 1.521 ( 0.000 6.154 0.000) 6.154 1.559 ( 0.000 -1.179 0.000) 1.179 1.657 ( 0.000 3.619 0.000) 3.619 1.693 ( 0.000 3.331 0.000) 3.331 1.847 ( 0.000 1.052 0.000) 1.052 1.879 ( 0.000 4.779 0.000) 4.779 1.907 ( 0.000 -2.318 0.000) 2.318 1.907 ( 0.000 2.396 0.000) 2.396 1.924 ( 0.000 0.256 0.000) 0.256 2.070 ( 0.000 -2.062 0.000) 2.062 2.086 ( 0.000 5.704 0.000) 5.704 2.129 ( 0.000 -0.956 0.000) 0.956 2.242 ( 0.000 -1.105 0.000) 1.105 2.251 ( 0.000 -1.411 0.000) 1.411 2.317 ( 0.000 2.908 0.000) 2.908 2.339 ( 0.000 0.111 0.000) 0.111 2.523 ( 0.000 -1.997 0.000) 1.997 2.599 ( 0.000 0.210 0.000) 0.210 2.645 ( 0.000 0.736 0.000) 0.736 2.662 ( 0.000 -0.576 0.000) 0.576 2.766 ( 0.000 0.987 0.000) 0.987 2.876 ( 0.000 1.360 0.000) 1.360 2.958 ( 0.000 -0.930 0.000) 0.930 2.969 ( 0.000 -3.393 0.000) 3.393 2.995 ( 0.000 -3.429 0.000) 3.429 3.147 ( 0.000 -0.897 0.000) 0.897 3.229 ( 0.000 2.988 0.000) 2.988 3.256 ( 0.000 0.256 0.000) 0.256 3.284 ( 0.000 -1.137 0.000) 1.137 3.319 ( 0.000 -3.430 0.000) 3.430 3.338 ( 0.000 -2.702 0.000) 2.702 3.399 ( 0.000 3.417 0.000) 3.417 3.647 ( 0.000 -5.122 0.000) 5.122 3.691 ( 0.000 -3.996 0.000) 3.996 3.698 ( 0.000 1.631 0.000) 1.631 3.837 ( 0.000 -4.067 0.000) 4.067 3.848 ( 0.000 -1.016 0.000) 1.016 3.947 ( 0.000 -1.352 0.000) 1.352 4.038 ( 0.000 -2.463 0.000) 2.463 4.544 ( 0.000 -1.159 0.000) 1.159 4.740 ( 0.000 -6.072 0.000) 6.072 4.998 ( 0.000 -6.280 0.000) 6.280 5.001 ( 0.000 -0.441 0.000) 0.441 5.138 ( 0.000 1.813 0.000) 1.813 5.183 ( 0.000 1.266 0.000) 1.266 5.323 ( 0.000 6.112 0.000) 6.112 5.602 ( 0.000 -3.707 0.000) 3.707 5.623 ( 0.000 4.343 0.000) 4.343 5.915 ( 0.000 3.916 0.000) 3.916 6.125 ( 0.000 -3.307 0.000) 3.307 6.265 ( 0.000 5.211 0.000) 5.211 6.555 ( 0.000 -10.004 0.000) 10.004 6.624 ( 0.000 5.582 0.000) 5.582 7.038 ( 0.000 4.874 0.000) 4.874 7.417 ( 0.000 -0.418 0.000) 0.418 7.713 ( 0.000 -5.166 0.000) 5.166 7.781 ( 0.000 5.911 0.000) 5.911 7.804 ( 0.000 -7.282 0.000) 7.282 8.299 ( 0.000 -0.194 0.000) 0.194 11.775 ( 0.000 -2.448 0.000) 2.448 11.799 ( 0.000 -0.379 0.000) 0.379 12.703 ( 0.000 13.143 0.000) 13.143 13.331 ( 0.000 0.638 0.000) 0.638 13.704 ( 0.000 -3.295 0.000) 3.295 14.217 ( 0.000 -10.238 0.000) 10.238 14.743 ( 0.000 1.551 0.000) 1.551 14.777 ( 0.000 3.546 0.000) 3.546 15.013 ( 0.000 0.309 0.000) 0.309 15.136 ( 0.000 -0.842 0.000) 0.842 15.143 ( 0.000 0.538 0.000) 0.538 15.642 ( 0.000 -4.163 0.000) 4.163 15.897 ( 0.000 1.192 0.000) 1.192 16.167 ( 0.000 -2.138 0.000) 2.138 16.321 ( 0.000 0.745 0.000) 0.745 16.439 ( 0.000 -2.029 0.000) 2.029 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 13.430 7.607 2.075) 15.573 0.462 ( 13.846 9.229 1.896) 16.748 0.852 ( 6.452 3.802 -0.020) 7.489 0.961 ( 13.930 16.923 10.541) 24.322 1.096 ( 4.102 4.823 4.465) 7.748 1.211 ( 4.820 4.650 -1.051) 6.779 1.329 ( 4.392 5.519 -1.152) 7.147 1.382 ( 8.462 2.655 -1.521) 8.998 1.449 ( -2.296 4.345 -2.188) 5.380 1.536 ( -1.124 -1.768 -1.877) 2.813 1.565 ( 1.032 2.103 1.340) 2.699 1.624 ( -1.725 4.456 -1.815) 5.111 1.692 ( -1.403 4.097 3.612) 5.639 1.827 ( -2.834 4.838 -0.017) 5.607 1.851 ( -0.067 -0.115 -0.991) 1.000 1.900 ( -1.746 3.318 3.509) 5.135 1.926 ( 4.778 -0.451 -3.621) 6.012 1.960 ( 1.236 0.717 2.917) 3.248 2.012 ( -2.290 1.054 -2.016) 3.228 2.076 ( -0.075 4.521 -0.675) 4.572 2.182 ( 1.254 -1.511 4.027) 4.481 2.240 ( 0.611 -1.925 0.525) 2.087 2.266 ( 0.926 0.212 -0.983) 1.367 2.351 ( 2.467 2.025 2.654) 4.151 2.413 ( 4.265 -1.562 -0.806) 4.613 2.479 ( -4.598 6.371 -6.575) 10.245 2.537 ( -0.538 -3.233 0.310) 3.292 2.551 ( -3.729 -2.239 -4.282) 6.104 2.686 ( -0.782 -3.489 -3.285) 4.855 2.738 ( -3.205 2.707 0.142) 4.198 2.790 ( -5.198 2.668 -1.980) 6.169 2.903 ( -2.782 -1.016 -2.278) 3.736 2.946 ( 0.950 -0.461 -4.589) 4.709 3.079 ( 3.576 -1.943 5.046) 6.483 3.124 ( -4.394 5.322 -3.512) 7.744 3.144 ( 1.783 -1.771 -1.366) 2.860 3.213 ( -3.770 -2.670 -0.952) 4.717 3.272 ( 0.577 -3.197 -1.627) 3.633 3.353 ( 0.010 -2.355 1.397) 2.738 3.420 ( 0.533 -0.089 4.861) 4.891 3.476 ( 7.075 -3.280 -0.770) 7.836 3.641 ( -1.366 -4.329 2.775) 5.321 3.663 ( -1.151 -1.753 -0.045) 2.097 3.723 ( -0.821 -0.535 -0.158) 0.993 3.788 ( -0.917 -0.441 -1.883) 2.140 3.850 ( -1.370 -1.018 1.934) 2.580 3.948 ( 1.244 -1.524 -0.482) 2.026 4.036 ( -0.472 -0.867 -0.787) 1.263 4.545 ( 0.646 -1.538 2.412) 2.933 4.777 ( 1.365 -7.699 -1.802) 8.024 4.917 ( -5.269 -2.623 3.800) 7.006 5.045 ( 2.898 -2.094 -0.444) 3.603 5.100 ( -1.304 -1.342 -2.198) 2.887 5.269 ( 1.964 -0.179 -3.904) 4.374 5.288 ( 2.175 5.466 1.130) 5.990 5.607 ( 3.480 -0.694 -2.414) 4.292 5.722 ( 1.746 -0.938 5.949) 6.271 5.917 ( -0.504 3.439 0.388) 3.497 6.075 ( -4.057 -3.154 -0.915) 5.219 6.213 ( -1.807 5.903 -3.528) 7.111 6.552 ( -3.063 -8.102 3.285) 9.264 6.681 ( -1.762 -2.997 7.065) 7.875 6.990 ( -4.238 6.590 -0.493) 7.850 7.208 ( -17.707 7.500 11.059) 22.183 7.725 ( 2.655 -4.063 -9.718) 10.863 7.809 ( 0.667 -3.283 1.856) 3.829 7.916 ( 10.608 -2.399 -1.218) 10.944 8.280 ( 2.768 4.333 -6.025) 7.921 11.775 ( -0.564 -1.335 -0.721) 1.619 11.784 ( 0.779 -2.121 0.037) 2.260 12.680 ( -2.697 12.525 0.164) 12.813 12.904 ( -12.708 18.850 -10.286) 24.952 13.912 ( -6.123 -13.380 17.341) 22.742 14.093 ( -14.615 -8.208 11.736) 20.462 14.774 ( 0.363 3.083 -0.344) 3.123 14.784 ( 0.287 2.722 3.302) 4.289 15.017 ( 0.116 -0.407 0.613) 0.745 15.097 ( -2.254 2.093 0.626) 3.138 15.407 ( 25.120 -11.762 -23.553) 36.388 15.757 ( 7.615 -5.718 6.021) 11.267 15.932 ( 0.916 -1.062 3.393) 3.672 16.088 ( -3.076 -2.591 -3.291) 5.196 16.318 ( 0.449 0.324 -1.064) 1.199 16.518 ( 3.737 -1.080 1.881) 4.321 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.248 4.436 9.686) 16.233 0.766 ( 17.405 3.481 -0.570) 17.759 0.938 ( 5.894 4.232 -3.546) 8.076 1.150 ( -0.008 5.053 -0.737) 5.106 1.259 ( -1.178 4.600 -0.894) 4.832 1.291 ( 4.629 3.907 -7.255) 9.452 1.337 ( 1.934 -1.066 3.632) 4.251 1.423 ( 7.258 5.068 -1.324) 8.951 1.513 ( 5.586 8.275 1.818) 10.148 1.556 ( 3.695 3.921 1.872) 5.704 1.589 ( -0.679 5.639 2.324) 6.137 1.598 ( 1.097 5.921 -0.640) 6.056 1.702 ( -1.097 3.439 2.442) 4.358 1.792 ( -2.228 7.010 1.070) 7.433 1.864 ( -0.571 5.019 -0.632) 5.091 1.911 ( 3.301 -2.863 2.742) 5.159 1.966 ( -0.708 0.803 -3.039) 3.222 1.996 ( 1.624 0.574 1.900) 2.565 2.060 ( 2.653 1.592 -2.389) 3.909 2.067 ( 4.245 2.689 4.043) 6.449 2.213 ( -1.792 2.731 -5.857) 6.706 2.236 ( 1.064 -1.796 2.030) 2.912 2.254 ( 2.295 -0.603 -3.327) 4.086 2.318 ( -2.995 -1.013 -2.823) 4.239 2.398 ( -1.469 -0.060 -2.996) 3.337 2.490 ( 0.623 2.256 0.354) 2.367 2.505 ( 2.602 0.315 5.848) 6.408 2.566 ( 1.930 -0.957 2.985) 3.682 2.633 ( -1.888 -3.708 0.865) 4.250 2.685 ( -2.395 2.531 -0.691) 3.553 2.705 ( -1.039 0.069 -2.512) 2.719 2.786 ( -6.263 2.237 -1.833) 6.899 2.917 ( 1.005 -0.199 -4.536) 4.651 3.011 ( -5.026 3.555 -1.612) 6.364 3.147 ( 2.555 -1.523 -1.677) 3.415 3.169 ( -0.287 -3.908 -0.256) 3.927 3.217 ( 3.113 -4.589 2.809) 6.216 3.270 ( -0.168 -0.826 -0.162) 0.859 3.369 ( 0.583 -2.649 0.492) 2.757 3.481 ( 0.810 -2.597 4.730) 5.457 3.509 ( -1.634 -3.169 -2.578) 4.400 3.623 ( -2.401 -4.570 1.044) 5.267 3.634 ( -4.187 -0.069 -4.302) 6.004 3.666 ( -3.408 -2.193 4.544) 6.089 3.755 ( -0.195 -1.250 0.021) 1.265 3.863 ( -0.168 -1.631 0.385) 1.684 3.981 ( 1.370 -0.424 -0.193) 1.447 4.031 ( 1.083 -0.887 0.600) 1.523 4.588 ( 0.590 -2.806 3.029) 4.171 4.723 ( -3.992 -3.249 -4.252) 6.676 4.912 ( -0.241 -2.243 4.713) 5.225 5.029 ( -2.189 -0.233 -3.237) 3.915 5.113 ( 3.390 -1.959 0.914) 4.021 5.244 ( 1.048 -6.048 -2.907) 6.792 5.380 ( 5.854 2.483 -0.428) 6.374 5.657 ( 2.775 -1.616 -0.083) 3.213 5.768 ( -1.043 1.445 3.092) 3.568 5.901 ( -0.509 2.729 -0.790) 2.886 5.997 ( -3.566 -0.141 -0.429) 3.594 6.159 ( -1.730 4.134 -1.222) 4.645 6.467 ( -6.624 -3.872 -2.398) 8.039 6.646 ( -4.550 -5.988 -1.810) 7.735 6.918 ( -4.438 7.202 1.940) 8.679 7.101 ( -6.923 7.990 12.153) 16.108 7.647 ( -1.463 -1.901 -7.436) 7.813 7.870 ( 3.351 -5.455 2.063) 6.726 8.046 ( 6.844 0.144 -4.375) 8.124 8.304 ( 2.135 2.656 1.528) 3.735 11.778 ( 0.927 -2.980 0.358) 3.141 11.802 ( 0.804 -1.854 0.512) 2.084 12.616 ( -4.204 10.711 0.091) 11.506 12.700 ( -6.587 13.412 -1.623) 15.030 13.752 ( -7.902 -5.197 -13.331) 16.345 14.078 ( -7.574 -11.360 20.018) 24.231 14.785 ( 1.243 2.245 -0.525) 2.619 14.817 ( 0.178 3.323 2.601) 4.223 15.016 ( -0.407 0.402 0.335) 0.663 15.105 ( 0.758 2.643 3.112) 4.153 15.504 ( 10.219 -5.987 -17.735) 21.326 15.922 ( 1.887 -1.696 -1.605) 3.002 15.975 ( 2.921 -6.014 8.443) 10.770 16.056 ( 0.173 -4.194 1.177) 4.359 16.319 ( 1.224 -0.232 -1.714) 2.119 16.577 ( 1.250 -0.214 1.706) 2.126 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.612 2.594 2.895) 3.935 1.010 ( 6.703 0.309 -4.591) 8.130 1.030 ( 9.093 3.315 3.734) 10.373 1.098 ( 1.764 7.444 -1.000) 7.716 1.187 ( 4.076 3.749 -2.132) 5.934 1.267 ( 2.879 7.558 -8.524) 11.750 1.419 ( -0.546 -0.645 4.271) 4.354 1.492 ( -1.622 6.364 0.734) 6.608 1.514 ( -2.092 10.347 -2.109) 10.765 1.563 ( -2.032 8.634 0.256) 8.873 1.609 ( 0.354 5.683 0.913) 5.767 1.672 ( -1.415 3.462 0.780) 3.821 1.725 ( -2.626 3.675 2.720) 5.272 1.791 ( 5.764 2.576 -1.422) 6.472 1.860 ( 0.869 1.050 -2.146) 2.542 1.936 ( 0.193 0.520 -2.246) 2.313 1.950 ( 1.623 1.915 -1.990) 3.203 2.016 ( 1.905 2.374 -0.379) 3.067 2.026 ( -1.455 0.206 -0.876) 1.711 2.143 ( 0.259 1.419 -2.301) 2.715 2.219 ( -1.885 -1.715 -0.813) 2.675 2.238 ( 2.053 -2.050 1.486) 3.259 2.276 ( 1.310 0.121 -0.347) 1.361 2.320 ( 3.721 -2.545 0.856) 4.589 2.430 ( 4.308 4.501 5.953) 8.617 2.494 ( -0.603 2.970 0.565) 3.082 2.532 ( -2.000 -1.520 1.640) 3.000 2.599 ( 0.523 -0.006 1.524) 1.612 2.647 ( 1.938 3.446 -0.864) 4.046 2.660 ( 0.156 2.478 0.878) 2.634 2.753 ( 3.130 0.258 1.787) 3.613 2.774 ( 2.723 -2.020 7.326) 8.073 2.902 ( 1.104 -1.704 -6.101) 6.430 2.931 ( -1.290 1.258 3.509) 3.945 3.110 ( -3.950 -0.638 -4.169) 5.778 3.208 ( 3.964 -4.479 -1.338) 6.129 3.247 ( -3.796 -1.312 2.166) 4.563 3.268 ( 0.667 -3.976 0.339) 4.046 3.343 ( -4.345 -2.392 -7.289) 8.817 3.386 ( -3.679 -1.999 0.843) 4.272 3.502 ( -1.846 0.198 -0.964) 2.092 3.560 ( 0.145 -2.870 1.745) 3.362 3.616 ( -0.700 -5.526 1.634) 5.805 3.642 ( -2.672 -1.818 1.959) 3.779 3.780 ( 1.452 -2.515 -0.570) 2.959 3.834 ( -1.882 -0.429 -0.226) 1.943 3.993 ( 0.865 -1.567 0.334) 1.820 4.066 ( 1.028 -1.582 0.804) 2.051 4.587 ( -5.279 -0.821 -4.446) 6.950 4.621 ( 0.357 -3.733 1.937) 4.221 4.919 ( -1.362 -1.629 -1.981) 2.905 5.020 ( 1.576 -0.116 3.326) 3.682 5.173 ( 1.752 -3.398 0.920) 3.933 5.249 ( 1.894 -10.354 -1.867) 10.690 5.482 ( 5.891 -0.395 -0.453) 5.922 5.677 ( -0.895 -3.567 -0.511) 3.713 5.758 ( -2.416 4.763 2.388) 5.850 5.902 ( 0.736 5.959 0.073) 6.004 5.961 ( 0.910 2.007 -0.367) 2.234 6.125 ( -2.069 2.811 1.156) 3.677 6.315 ( -5.293 1.273 -5.578) 7.794 6.535 ( -3.735 -5.030 -3.484) 7.169 6.866 ( -3.952 3.750 3.112) 6.274 7.148 ( -0.400 6.716 7.913) 10.386 7.554 ( -2.015 1.501 -4.512) 5.165 7.936 ( 2.600 -7.667 -0.568) 8.116 8.100 ( 3.380 0.995 -1.907) 4.006 8.356 ( 0.502 0.473 2.874) 2.956 11.803 ( 1.126 -3.402 0.526) 3.622 11.817 ( 0.249 -1.625 0.559) 1.736 12.552 ( -2.874 9.033 0.219) 9.482 12.600 ( -3.816 10.090 -0.344) 10.793 13.514 ( -4.673 -1.589 -10.220) 11.349 14.132 ( -2.659 -11.499 9.505) 15.154 14.803 ( 0.968 1.838 -0.152) 2.083 14.839 ( 0.084 3.520 1.416) 3.795 15.018 ( 0.305 1.809 0.102) 1.838 15.159 ( 0.893 2.108 4.171) 4.758 15.481 ( 3.663 -3.361 -11.355) 12.395 15.898 ( -0.727 0.450 -1.335) 1.585 16.060 ( 0.275 -3.719 1.027) 3.867 16.120 ( 2.287 -7.926 5.421) 9.871 16.331 ( 1.543 -0.038 -0.997) 1.837 16.600 ( -0.142 -1.236 1.234) 1.753 ======================= Grid point 13 (10/72) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 1.491 0.000) 1.491 0.973 ( -0.000 1.333 0.000) 1.333 1.148 ( 0.000 1.873 0.000) 1.873 1.181 ( -0.000 11.895 -0.000) 11.895 1.242 ( 0.000 6.764 0.000) 6.764 1.351 ( 0.000 3.601 0.000) 3.601 1.389 ( -0.000 5.909 -0.000) 5.909 1.421 ( 0.000 3.509 0.000) 3.509 1.449 ( -0.000 10.258 -0.000) 10.258 1.569 ( 0.000 4.827 0.000) 4.827 1.619 ( 0.000 8.161 0.000) 8.161 1.624 ( -0.000 6.050 0.000) 6.050 1.701 ( 0.000 -0.120 -0.000) 0.120 1.834 ( -0.000 1.032 -0.000) 1.032 1.856 ( 0.000 0.543 0.000) 0.543 1.933 ( 0.000 0.591 -0.000) 0.591 1.977 ( -0.000 0.048 0.000) 0.048 2.003 ( 0.000 2.534 0.000) 2.534 2.033 ( 0.000 2.246 -0.000) 2.246 2.153 ( -0.000 -0.258 0.000) 0.258 2.207 ( 0.000 0.027 0.000) 0.027 2.218 ( -0.000 -1.334 0.000) 1.334 2.274 ( 0.000 -1.361 0.000) 1.361 2.360 ( 0.000 -2.151 -0.000) 2.151 2.474 ( -0.000 4.521 0.000) 4.521 2.508 ( 0.000 2.225 0.000) 2.225 2.529 ( 0.000 -2.376 0.000) 2.376 2.632 ( 0.000 3.369 0.000) 3.369 2.687 ( 0.000 2.199 0.000) 2.199 2.777 ( -0.000 1.081 0.000) 1.081 2.798 ( -0.000 0.854 -0.000) 0.854 2.834 ( 0.000 -0.686 0.000) 0.686 2.867 ( 0.000 -1.800 0.000) 1.800 2.880 ( -0.000 1.237 -0.000) 1.237 3.108 ( -0.000 -0.661 -0.000) 0.661 3.115 ( 0.000 -4.784 0.000) 4.784 3.231 ( 0.000 -0.008 -0.000) 0.008 3.274 ( -0.000 -4.416 0.000) 4.416 3.276 ( 0.000 -4.581 -0.000) 4.581 3.377 ( 0.000 -1.434 0.000) 1.434 3.469 ( 0.000 2.982 0.000) 2.982 3.589 ( 0.000 -5.291 0.000) 5.291 3.615 ( 0.000 -5.282 -0.000) 5.282 3.626 ( 0.000 -1.484 0.000) 1.484 3.758 ( 0.000 -2.263 0.000) 2.263 3.834 ( 0.000 -0.425 0.000) 0.425 4.015 ( 0.000 -2.313 0.000) 2.313 4.075 ( 0.000 -1.981 0.000) 1.981 4.504 ( -0.000 -0.116 0.000) 0.116 4.635 ( 0.000 -4.385 0.000) 4.385 4.893 ( 0.000 -0.905 0.000) 0.905 5.060 ( 0.000 -1.597 -0.000) 1.597 5.191 ( 0.000 -4.100 0.000) 4.100 5.261 ( 0.000 -11.800 0.000) 11.800 5.554 ( 0.000 -3.397 0.000) 3.397 5.637 ( 0.000 -0.808 0.000) 0.808 5.749 ( 0.000 4.373 0.000) 4.373 5.910 ( 0.000 7.969 -0.000) 7.969 5.991 ( -0.000 4.676 -0.000) 4.676 6.114 ( 0.000 3.973 0.000) 3.973 6.220 ( -0.000 -0.675 -0.000) 0.675 6.481 ( 0.000 -3.574 0.000) 3.574 6.845 ( 0.000 1.695 0.000) 1.695 7.189 ( -0.000 6.553 0.000) 6.553 7.510 ( 0.000 2.692 -0.000) 2.692 7.953 ( 0.000 -6.920 0.000) 6.920 8.126 ( 0.000 -1.046 0.000) 1.046 8.372 ( 0.000 0.482 0.000) 0.482 11.818 ( -0.000 -3.505 0.000) 3.505 11.821 ( 0.000 -1.442 -0.000) 1.442 12.526 ( 0.000 8.635 0.000) 8.635 12.563 ( 0.000 8.814 0.000) 8.814 13.421 ( 0.000 -0.474 0.000) 0.474 14.155 ( 0.000 -11.558 0.000) 11.558 14.811 ( -0.000 1.755 0.000) 1.755 14.846 ( 0.000 3.646 0.000) 3.646 15.022 ( 0.000 2.269 -0.000) 2.269 15.193 ( 0.000 1.917 0.000) 1.917 15.452 ( 0.000 -2.703 -0.000) 2.703 15.884 ( 0.000 0.707 0.000) 0.707 16.065 ( 0.000 -2.375 -0.000) 2.375 16.167 ( 0.000 -9.259 0.000) 9.259 16.344 ( 0.000 0.231 0.000) 0.231 16.602 ( -0.000 -1.632 0.000) 1.632 ======================= Grid point 18 (11/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 13.341 0.000) 13.341 0.691 ( 0.000 13.821 0.000) 13.821 0.941 ( 0.000 8.051 0.000) 8.051 1.017 ( 0.000 1.452 0.000) 1.452 1.164 ( 0.000 4.880 0.000) 4.880 1.294 ( 0.000 5.637 0.000) 5.637 1.377 ( 0.000 4.829 0.000) 4.829 1.398 ( 0.000 4.748 0.000) 4.748 1.511 ( 0.000 -0.974 0.000) 0.974 1.583 ( 0.000 9.183 0.000) 9.183 1.608 ( 0.000 1.854 0.000) 1.854 1.772 ( 0.000 -0.801 0.000) 0.801 1.781 ( 0.000 5.753 0.000) 5.753 1.818 ( 0.000 4.706 0.000) 4.706 1.858 ( 0.000 -5.478 0.000) 5.478 1.923 ( 0.000 1.581 0.000) 1.581 1.962 ( 0.000 3.498 0.000) 3.498 2.002 ( 0.000 0.379 0.000) 0.379 2.073 ( 0.000 3.458 0.000) 3.458 2.152 ( 0.000 -1.214 0.000) 1.214 2.182 ( 0.000 8.465 0.000) 8.465 2.242 ( 0.000 0.146 0.000) 0.146 2.297 ( 0.000 5.194 0.000) 5.194 2.370 ( 0.000 6.528 0.000) 6.528 2.401 ( 0.000 5.978 0.000) 5.978 2.518 ( 0.000 1.080 0.000) 1.080 2.558 ( 0.000 0.157 0.000) 0.157 2.623 ( 0.000 -3.192 0.000) 3.192 2.734 ( 0.000 2.280 0.000) 2.280 2.791 ( 0.000 1.653 0.000) 1.653 2.834 ( 0.000 -8.670 0.000) 8.670 2.863 ( 0.000 -1.267 0.000) 1.267 2.938 ( 0.000 -1.151 0.000) 1.151 2.954 ( 0.000 -0.144 0.000) 0.144 3.066 ( 0.000 -5.167 0.000) 5.167 3.174 ( 0.000 -7.746 0.000) 7.746 3.206 ( 0.000 -6.964 0.000) 6.964 3.280 ( 0.000 1.658 0.000) 1.658 3.325 ( 0.000 0.160 0.000) 0.160 3.347 ( 0.000 5.442 0.000) 5.442 3.447 ( 0.000 -11.684 0.000) 11.684 3.495 ( 0.000 3.105 0.000) 3.105 3.624 ( 0.000 -2.581 0.000) 2.581 3.698 ( 0.000 -1.588 0.000) 1.588 3.770 ( 0.000 -1.666 0.000) 1.666 3.822 ( 0.000 -1.578 0.000) 1.578 3.909 ( 0.000 -2.050 0.000) 2.050 3.963 ( 0.000 -4.456 0.000) 4.456 4.513 ( 0.000 -1.658 0.000) 1.658 4.602 ( 0.000 -6.460 0.000) 6.460 4.898 ( 0.000 -3.146 0.000) 3.146 4.964 ( 0.000 -2.574 0.000) 2.574 5.187 ( 0.000 2.909 0.000) 2.909 5.238 ( 0.000 3.618 0.000) 3.618 5.394 ( 0.000 0.926 0.000) 0.926 5.500 ( 0.000 -5.909 0.000) 5.909 5.780 ( 0.000 10.226 0.000) 10.226 5.978 ( 0.000 1.319 0.000) 1.319 6.057 ( 0.000 -2.809 0.000) 2.809 6.293 ( 0.000 -3.102 0.000) 3.102 6.534 ( 0.000 8.032 0.000) 8.032 6.744 ( 0.000 5.146 0.000) 5.146 7.079 ( 0.000 0.704 0.000) 0.704 7.407 ( 0.000 -0.511 0.000) 0.511 7.561 ( 0.000 -9.484 0.000) 9.484 7.621 ( 0.000 -9.306 0.000) 9.306 7.933 ( 0.000 7.991 0.000) 7.991 8.275 ( 0.000 -2.282 0.000) 2.282 11.739 ( 0.000 -0.755 0.000) 0.755 11.786 ( 0.000 -0.856 0.000) 0.856 13.012 ( 0.000 14.883 0.000) 14.883 13.371 ( 0.000 4.009 0.000) 4.009 13.595 ( 0.000 -7.090 0.000) 7.090 13.988 ( 0.000 -11.136 0.000) 11.136 14.784 ( 0.000 2.258 0.000) 2.258 14.835 ( 0.000 1.846 0.000) 1.846 15.024 ( 0.000 0.752 0.000) 0.752 15.111 ( 0.000 -1.457 0.000) 1.457 15.171 ( 0.000 2.471 0.000) 2.471 15.525 ( 0.000 -6.839 0.000) 6.839 15.931 ( 0.000 2.126 0.000) 2.126 16.113 ( 0.000 -2.986 0.000) 2.986 16.332 ( 0.000 0.343 0.000) 0.343 16.392 ( 0.000 -2.213 0.000) 2.213 ======================= Grid point 19 (12/72) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 11.709 9.785 -2.205) 15.418 0.717 ( 3.266 12.671 3.775) 13.618 0.966 ( 3.852 7.104 0.836) 8.124 1.117 ( 7.281 2.025 1.650) 7.735 1.214 ( 2.144 -3.676 -0.493) 4.284 1.365 ( 2.413 4.972 2.342) 6.002 1.392 ( 6.077 2.292 -4.909) 8.141 1.430 ( 2.046 3.426 0.569) 4.031 1.523 ( 2.299 2.796 0.076) 3.620 1.602 ( 4.506 11.717 2.139) 12.734 1.660 ( 1.113 0.301 0.434) 1.232 1.711 ( -0.193 8.236 0.219) 8.241 1.820 ( 1.193 6.755 0.450) 6.874 1.836 ( 1.720 -1.108 -0.134) 2.051 1.872 ( 1.942 0.510 1.432) 2.466 1.929 ( 2.360 0.371 -1.726) 2.947 1.968 ( 1.950 3.917 0.132) 4.377 2.050 ( -0.157 1.657 -0.909) 1.896 2.077 ( 0.078 6.141 3.897) 7.273 2.149 ( -0.500 -0.146 2.425) 2.480 2.196 ( 1.534 6.363 1.864) 6.805 2.238 ( -1.442 2.420 0.642) 2.889 2.337 ( 0.396 4.920 0.615) 4.974 2.359 ( -0.489 1.715 1.848) 2.568 2.403 ( 0.686 3.117 -0.347) 3.210 2.498 ( -0.557 0.155 -4.019) 4.061 2.530 ( -1.005 -0.375 -1.276) 1.667 2.606 ( 0.131 0.354 -1.569) 1.614 2.645 ( -4.578 3.761 -6.601) 8.870 2.756 ( -4.539 -2.331 -0.662) 5.145 2.802 ( -1.947 1.319 1.518) 2.799 2.903 ( -1.764 0.505 -1.439) 2.332 2.936 ( 2.072 -2.282 -0.123) 3.085 2.968 ( 2.727 -5.627 1.330) 6.392 3.079 ( 1.339 -4.854 -0.345) 5.047 3.106 ( -4.093 -5.984 -2.314) 7.610 3.167 ( -3.902 -2.350 -3.177) 5.553 3.257 ( 1.429 -3.803 -0.599) 4.107 3.306 ( -3.403 2.166 1.041) 4.166 3.404 ( 1.731 -1.670 3.640) 4.363 3.468 ( -0.278 -8.971 -0.493) 8.988 3.482 ( 0.663 1.544 0.231) 1.696 3.610 ( -0.925 -3.103 1.342) 3.506 3.698 ( -1.506 -1.972 0.170) 2.487 3.780 ( -3.296 -2.531 -1.706) 4.492 3.788 ( 1.339 -2.486 -2.101) 3.519 3.915 ( 1.558 -1.307 0.896) 2.222 3.994 ( 0.962 -2.815 2.581) 3.938 4.513 ( -0.031 -1.306 0.920) 1.597 4.629 ( 1.890 -6.285 0.458) 6.579 4.897 ( -2.434 0.230 4.233) 4.888 4.982 ( 1.504 -3.323 0.740) 3.722 5.066 ( -2.706 -0.977 -4.590) 5.417 5.251 ( -5.475 -2.496 -5.795) 8.354 5.379 ( 3.277 3.641 3.642) 6.104 5.566 ( 3.698 -2.433 -1.118) 4.565 5.824 ( 1.743 8.441 3.488) 9.298 5.976 ( -1.768 1.210 -1.060) 2.390 6.019 ( -1.281 -0.801 1.692) 2.268 6.295 ( -1.782 0.572 1.885) 2.656 6.497 ( -3.662 3.101 -1.456) 5.015 6.671 ( -4.833 -0.039 -3.594) 6.023 7.076 ( -0.511 3.471 0.259) 3.518 7.309 ( -9.875 3.248 8.310) 13.309 7.612 ( 1.216 -6.531 -4.264) 7.894 7.649 ( 6.919 -9.945 -4.511) 12.928 7.980 ( 3.236 5.833 3.971) 7.763 8.296 ( 2.457 -1.901 -1.649) 3.517 11.748 ( 0.459 -0.835 0.552) 1.101 11.764 ( -0.965 -0.364 -1.306) 1.664 12.975 ( -4.245 14.251 -0.093) 14.870 13.175 ( -9.326 8.196 -9.490) 15.628 13.681 ( -1.100 -8.495 8.939) 12.381 13.898 ( -9.904 -9.590 4.627) 14.542 14.828 ( 1.167 1.691 3.161) 3.770 14.833 ( 0.645 2.109 -1.005) 2.424 15.023 ( 0.401 1.103 0.005) 1.174 15.146 ( 0.244 1.974 1.517) 2.501 15.245 ( 14.002 -3.940 -9.899) 17.594 15.604 ( 5.676 -8.546 3.884) 10.970 15.938 ( -0.271 1.131 1.696) 2.056 16.048 ( -3.504 -1.739 -2.712) 4.760 16.328 ( 0.262 0.676 -0.745) 1.040 16.464 ( 4.123 -3.414 2.270) 5.815 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 14.218 5.725 0.591) 15.339 0.878 ( 8.353 7.540 5.199) 12.396 1.062 ( 3.698 5.871 0.076) 6.939 1.220 ( 2.142 -0.393 -3.739) 4.327 1.252 ( 5.056 1.132 -0.095) 5.182 1.307 ( -2.302 -0.748 -1.683) 2.948 1.441 ( -0.910 0.657 2.484) 2.726 1.520 ( 6.051 5.010 -4.829) 9.221 1.592 ( 8.193 5.840 -1.013) 10.112 1.665 ( 3.241 1.128 1.512) 3.750 1.729 ( 3.282 8.481 2.568) 9.449 1.808 ( 0.629 5.337 0.162) 5.376 1.828 ( 0.348 4.688 1.810) 5.037 1.885 ( 5.556 7.295 2.249) 9.442 1.934 ( 2.271 4.319 0.947) 4.971 1.990 ( 3.515 3.247 0.621) 4.825 2.010 ( -0.726 7.113 -0.367) 7.159 2.043 ( 1.569 4.755 -2.979) 5.827 2.097 ( 2.821 4.220 -0.533) 5.104 2.162 ( -0.907 2.536 2.303) 3.544 2.222 ( 0.782 -1.395 -0.094) 1.602 2.236 ( -1.582 6.063 1.061) 6.355 2.259 ( -1.851 -1.162 -4.580) 5.075 2.337 ( -4.841 3.446 0.102) 5.943 2.425 ( -0.529 2.360 0.534) 2.477 2.491 ( 4.286 0.223 0.388) 4.310 2.534 ( 0.676 1.776 1.094) 2.193 2.566 ( 0.310 -0.732 2.131) 2.274 2.613 ( 3.447 3.623 -1.135) 5.128 2.655 ( -4.373 -1.585 -1.424) 4.864 2.773 ( -2.064 3.373 0.955) 4.068 2.844 ( -4.120 2.666 -0.163) 4.910 2.911 ( 0.206 -0.426 -4.878) 4.901 3.021 ( -2.254 -5.062 -3.806) 6.722 3.036 ( -3.422 -6.635 1.943) 7.714 3.096 ( 2.054 -4.920 2.213) 5.773 3.115 ( 2.250 -2.726 0.644) 3.593 3.256 ( -3.056 -2.685 0.982) 4.185 3.288 ( 1.312 -4.243 -0.438) 4.463 3.418 ( -2.143 -4.349 1.786) 5.167 3.448 ( -1.166 -2.483 -1.856) 3.312 3.483 ( -2.275 -5.550 1.064) 6.092 3.614 ( -2.010 -2.787 3.151) 4.662 3.635 ( -2.170 -0.894 -4.270) 4.873 3.702 ( -1.496 -3.883 -2.583) 4.898 3.786 ( -0.851 -4.780 1.469) 5.072 3.968 ( 2.269 -0.599 0.896) 2.512 4.020 ( -0.111 -0.434 1.221) 1.301 4.528 ( 0.277 -2.230 0.990) 2.456 4.641 ( -1.155 -4.229 -1.150) 4.532 4.892 ( -1.369 0.329 2.065) 2.499 5.008 ( -0.395 -1.920 0.609) 2.053 5.042 ( 0.649 -4.093 2.969) 5.098 5.112 ( -2.812 -5.821 -5.472) 8.469 5.437 ( 1.992 2.689 -0.786) 3.437 5.595 ( 1.001 -3.242 -1.004) 3.538 5.874 ( 0.514 6.294 2.880) 6.941 5.937 ( 0.105 2.220 0.598) 2.302 6.038 ( -0.228 4.032 0.429) 4.061 6.249 ( -3.063 4.002 -2.569) 5.657 6.406 ( -5.405 -2.374 2.808) 6.538 6.543 ( -5.202 -5.094 -3.495) 8.076 7.069 ( -1.550 7.735 -0.690) 7.919 7.250 ( -4.011 6.627 6.385) 10.038 7.582 ( -0.238 -4.372 -2.968) 5.289 7.710 ( 3.794 -9.263 -1.734) 10.159 8.084 ( 4.504 3.019 0.368) 5.434 8.318 ( 1.035 -1.502 0.205) 1.836 11.742 ( 0.118 -0.593 -0.453) 0.756 11.770 ( 0.740 -1.111 0.734) 1.524 12.867 ( -6.908 11.976 -0.164) 13.826 12.956 ( -8.671 9.940 -2.602) 13.445 13.636 ( -4.510 -5.065 -7.077) 9.802 13.835 ( -4.580 -10.924 10.437) 15.788 14.837 ( 0.905 2.455 -0.605) 2.686 14.872 ( 0.125 1.782 3.378) 3.821 15.042 ( 1.519 2.211 0.072) 2.684 15.178 ( 1.176 4.111 2.666) 5.039 15.369 ( 10.208 -6.049 -11.477) 16.508 15.756 ( 5.863 -11.028 4.640) 13.324 15.936 ( -1.466 -0.005 0.042) 1.466 15.996 ( -0.678 -1.937 0.976) 2.272 16.330 ( 1.000 1.270 -1.216) 2.023 16.533 ( 1.502 -3.625 1.295) 4.132 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.636 2.415 -1.138) 2.745 1.016 ( 4.812 1.384 -3.000) 5.837 1.110 ( 6.500 3.755 1.820) 7.724 1.202 ( 3.503 2.816 1.223) 4.658 1.343 ( 7.375 9.731 0.689) 12.229 1.360 ( 1.392 -2.079 3.037) 3.935 1.443 ( -0.975 3.238 1.895) 3.877 1.591 ( 4.537 5.255 -3.515) 7.782 1.695 ( 1.612 4.577 -2.918) 5.662 1.731 ( 2.720 4.397 2.456) 5.724 1.775 ( -1.064 9.667 -0.724) 9.752 1.785 ( 0.554 3.554 -1.485) 3.892 1.811 ( -0.686 6.766 -0.240) 6.805 1.905 ( -4.077 2.164 -0.903) 4.703 1.930 ( -1.753 5.211 -5.085) 7.488 1.996 ( -0.763 6.371 -0.833) 6.470 2.027 ( 0.673 5.974 -1.165) 6.123 2.042 ( 4.459 8.854 0.538) 9.928 2.113 ( 1.881 5.710 -2.596) 6.549 2.173 ( -2.685 -0.043 -0.206) 2.693 2.201 ( 0.558 1.150 -2.644) 2.937 2.220 ( -1.140 1.758 2.466) 3.236 2.276 ( 2.503 -0.969 -0.493) 2.729 2.285 ( 1.303 0.223 1.001) 1.658 2.490 ( -0.594 0.032 2.123) 2.205 2.524 ( -0.169 -0.727 4.865) 4.922 2.578 ( 1.511 6.525 1.017) 6.775 2.600 ( 1.611 0.336 1.658) 2.336 2.652 ( 5.353 -2.396 0.322) 5.873 2.709 ( 3.537 1.447 1.771) 4.212 2.774 ( 1.466 4.530 2.805) 5.526 2.795 ( -1.339 0.045 2.581) 2.908 2.868 ( -0.075 0.241 -4.601) 4.608 2.926 ( -3.579 -2.157 2.070) 4.664 3.029 ( -0.997 -7.725 -0.959) 7.848 3.127 ( -2.282 -4.477 -0.610) 5.062 3.141 ( 2.401 -5.146 -0.540) 5.704 3.235 ( -2.100 -1.797 3.801) 4.700 3.279 ( -1.834 -2.914 -5.705) 6.664 3.338 ( -4.211 -2.445 -1.292) 5.038 3.416 ( 1.171 -7.337 0.572) 7.452 3.462 ( -1.702 -6.923 1.497) 7.285 3.563 ( -2.410 1.151 -1.906) 3.281 3.593 ( -1.455 -2.591 1.086) 3.164 3.709 ( 0.793 -4.375 1.147) 4.592 3.784 ( -0.248 -4.441 0.714) 4.505 3.985 ( -0.270 0.824 -0.263) 0.906 4.031 ( 0.370 -1.382 0.501) 1.516 4.534 ( -0.236 -3.835 0.335) 3.857 4.564 ( -3.887 -1.516 -3.387) 5.374 4.883 ( -0.453 -1.446 -0.784) 1.706 5.005 ( -0.241 -1.655 0.924) 1.911 5.046 ( -2.124 -7.378 0.604) 7.702 5.092 ( 1.407 -4.958 1.160) 5.283 5.456 ( 2.108 -1.068 -2.098) 3.160 5.588 ( -1.018 -4.537 -0.073) 4.651 5.900 ( -1.576 8.075 2.687) 8.655 6.002 ( 3.973 3.435 2.754) 5.931 6.021 ( 2.400 2.982 -2.989) 4.856 6.169 ( -1.997 1.723 -1.853) 3.223 6.350 ( -6.327 1.279 0.925) 6.521 6.448 ( -1.656 -3.267 -0.303) 3.675 6.984 ( -4.923 7.797 -1.899) 9.415 7.294 ( 1.898 7.300 3.837) 8.463 7.554 ( -0.877 -2.697 -0.702) 2.922 7.754 ( 1.985 -9.196 -0.249) 9.411 8.122 ( 1.745 1.744 -3.016) 3.896 8.345 ( 0.485 -1.821 2.244) 2.930 11.752 ( 0.860 -1.280 0.120) 1.547 11.787 ( 0.342 -1.278 0.560) 1.436 12.762 ( -4.526 9.946 0.522) 10.940 12.812 ( -5.820 9.136 -0.452) 10.841 13.486 ( -3.229 -0.601 -6.767) 7.522 13.868 ( -1.077 -12.839 5.260) 13.916 14.850 ( 0.719 2.510 0.075) 2.612 14.900 ( 0.028 2.079 2.155) 2.994 15.071 ( 1.441 3.294 0.058) 3.596 15.230 ( 1.027 4.722 3.620) 6.038 15.391 ( 4.105 -4.746 -9.129) 11.077 15.877 ( 3.466 -11.526 2.446) 12.282 15.912 ( -0.669 -0.275 0.030) 0.723 16.007 ( -0.339 -3.161 1.538) 3.531 16.342 ( 1.296 1.276 -0.698) 1.948 16.550 ( -0.209 -3.531 0.572) 3.583 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 2.168 0.000) 2.168 0.999 ( -0.000 1.064 0.000) 1.064 1.208 ( 0.000 3.365 0.000) 3.365 1.345 ( 0.000 0.778 0.000) 0.778 1.379 ( -0.000 1.995 -0.000) 1.995 1.382 ( -0.000 -0.403 0.000) 0.403 1.450 ( -0.000 8.803 0.000) 8.803 1.595 ( 0.000 9.886 0.000) 9.886 1.676 ( 0.000 4.859 0.000) 4.859 1.709 ( -0.000 12.576 0.000) 12.576 1.772 ( 0.000 7.973 0.000) 7.973 1.774 ( -0.000 4.954 -0.000) 4.954 1.835 ( 0.000 4.211 0.000) 4.211 1.866 ( -0.000 1.909 -0.000) 1.909 1.899 ( 0.000 4.824 0.000) 4.824 1.972 ( 0.000 3.735 0.000) 3.735 2.017 ( 0.000 8.397 -0.000) 8.397 2.093 ( 0.000 4.035 0.000) 4.035 2.107 ( 0.000 7.680 -0.000) 7.680 2.164 ( 0.000 1.827 0.000) 1.827 2.185 ( 0.000 -0.474 -0.000) 0.474 2.221 ( -0.000 2.469 0.000) 2.469 2.299 ( -0.000 2.149 0.000) 2.149 2.312 ( -0.000 -2.748 -0.000) 2.748 2.476 ( -0.000 -1.920 0.000) 1.920 2.532 ( 0.000 1.257 -0.000) 1.257 2.568 ( 0.000 2.725 0.000) 2.725 2.686 ( 0.000 1.479 0.000) 1.479 2.715 ( -0.000 -0.741 0.000) 0.741 2.762 ( 0.000 -4.628 -0.000) 4.628 2.786 ( -0.000 -0.723 0.000) 0.723 2.820 ( 0.000 1.803 -0.000) 1.803 2.888 ( 0.000 2.761 0.000) 2.761 2.902 ( -0.000 -1.534 -0.000) 1.534 3.001 ( 0.000 -4.857 -0.000) 4.857 3.089 ( 0.000 -1.441 0.000) 1.441 3.159 ( 0.000 -5.341 -0.000) 5.341 3.164 ( -0.000 -5.950 0.000) 5.950 3.237 ( 0.000 0.932 -0.000) 0.932 3.324 ( 0.000 -3.544 0.000) 3.544 3.439 ( -0.000 -10.247 0.000) 10.247 3.453 ( 0.000 -6.999 0.000) 6.999 3.528 ( 0.000 2.414 -0.000) 2.414 3.605 ( 0.000 -1.082 -0.000) 1.082 3.693 ( 0.000 -3.987 0.000) 3.987 3.800 ( 0.000 -3.521 0.000) 3.521 3.983 ( 0.000 0.137 0.000) 0.137 4.033 ( 0.000 -1.662 0.000) 1.662 4.499 ( 0.000 -0.446 0.000) 0.446 4.533 ( 0.000 -4.810 0.000) 4.810 4.873 ( 0.000 -0.803 0.000) 0.803 5.013 ( 0.000 -2.521 -0.000) 2.521 5.025 ( -0.000 -8.530 0.000) 8.530 5.113 ( 0.000 -5.169 -0.000) 5.169 5.469 ( 0.000 -3.549 0.000) 3.549 5.574 ( 0.000 -4.189 0.000) 4.189 5.886 ( 0.000 7.314 0.000) 7.314 6.014 ( 0.000 1.534 0.000) 1.534 6.125 ( -0.000 6.849 -0.000) 6.849 6.156 ( 0.000 0.095 0.000) 0.095 6.232 ( -0.000 2.333 -0.000) 2.333 6.445 ( 0.000 -0.262 0.000) 0.262 6.921 ( 0.000 6.477 0.000) 6.477 7.337 ( -0.000 7.346 0.000) 7.346 7.541 ( 0.000 -1.573 0.000) 1.573 7.771 ( 0.000 -9.404 0.000) 9.404 8.118 ( 0.000 0.965 0.000) 0.965 8.362 ( 0.000 -1.833 0.000) 1.833 11.762 ( -0.000 -1.560 0.000) 1.560 11.792 ( 0.000 -1.280 -0.000) 1.280 12.725 ( -0.000 9.299 0.000) 9.299 12.754 ( 0.000 8.512 0.000) 8.512 13.422 ( 0.000 0.982 0.000) 0.982 13.885 ( 0.000 -13.463 0.000) 13.463 14.858 ( 0.000 2.533 0.000) 2.533 14.911 ( 0.000 2.262 0.000) 2.262 15.085 ( 0.000 3.681 0.000) 3.681 15.263 ( 0.000 5.254 0.000) 5.254 15.375 ( 0.000 -4.554 -0.000) 4.554 15.899 ( 0.000 -0.186 0.000) 0.186 15.930 ( 0.000 -12.068 0.000) 12.068 16.008 ( -0.000 -2.868 -0.000) 2.868 16.353 ( 0.000 0.969 0.000) 0.969 16.548 ( -0.000 -3.501 -0.000) 3.501 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 0.000 13.569 0.000) 13.569 0.920 ( 0.000 8.010 0.000) 8.010 1.014 ( 0.000 -5.108 0.000) 5.108 1.025 ( 0.000 -7.866 0.000) 7.866 1.133 ( 0.000 9.492 0.000) 9.492 1.298 ( 0.000 -5.778 0.000) 5.778 1.445 ( 0.000 2.654 0.000) 2.654 1.470 ( 0.000 1.153 0.000) 1.153 1.541 ( 0.000 2.767 0.000) 2.767 1.595 ( 0.000 -2.489 0.000) 2.489 1.705 ( 0.000 -2.528 0.000) 2.528 1.711 ( 0.000 -3.739 0.000) 3.739 1.840 ( 0.000 6.344 0.000) 6.344 1.911 ( 0.000 -0.021 0.000) 0.021 1.991 ( 0.000 5.019 0.000) 5.019 2.003 ( 0.000 4.832 0.000) 4.832 2.029 ( 0.000 3.483 0.000) 3.483 2.038 ( 0.000 11.178 0.000) 11.178 2.086 ( 0.000 -3.672 0.000) 3.672 2.105 ( 0.000 3.620 0.000) 3.620 2.135 ( 0.000 -5.831 0.000) 5.831 2.404 ( 0.000 -4.658 0.000) 4.658 2.441 ( 0.000 9.510 0.000) 9.510 2.466 ( 0.000 -0.525 0.000) 0.525 2.548 ( 0.000 1.602 0.000) 1.602 2.563 ( 0.000 1.422 0.000) 1.422 2.594 ( 0.000 4.908 0.000) 4.908 2.599 ( 0.000 5.303 0.000) 5.303 2.695 ( 0.000 0.722 0.000) 0.722 2.725 ( 0.000 1.655 0.000) 1.655 2.811 ( 0.000 -1.545 0.000) 1.545 2.847 ( 0.000 -2.263 0.000) 2.263 2.913 ( 0.000 -2.804 0.000) 2.804 2.954 ( 0.000 1.187 0.000) 1.187 3.013 ( 0.000 -2.794 0.000) 2.794 3.028 ( 0.000 0.548 0.000) 0.548 3.054 ( 0.000 -8.197 0.000) 8.197 3.156 ( 0.000 -12.716 0.000) 12.716 3.304 ( 0.000 -1.126 0.000) 1.126 3.304 ( 0.000 -0.008 0.000) 0.008 3.434 ( 0.000 3.099 0.000) 3.099 3.500 ( 0.000 -3.283 0.000) 3.283 3.639 ( 0.000 3.957 0.000) 3.957 3.707 ( 0.000 2.029 0.000) 2.029 3.725 ( 0.000 -2.475 0.000) 2.475 3.780 ( 0.000 -2.827 0.000) 2.827 3.876 ( 0.000 -0.962 0.000) 0.962 3.884 ( 0.000 -2.274 0.000) 2.274 4.486 ( 0.000 -0.663 0.000) 0.663 4.503 ( 0.000 -2.734 0.000) 2.734 4.873 ( 0.000 0.604 0.000) 0.604 4.909 ( 0.000 -2.527 0.000) 2.527 5.261 ( 0.000 4.319 0.000) 4.319 5.314 ( 0.000 3.137 0.000) 3.137 5.375 ( 0.000 -5.525 0.000) 5.525 5.380 ( 0.000 -1.978 0.000) 1.978 5.960 ( 0.000 2.997 0.000) 2.997 5.975 ( 0.000 -0.642 0.000) 0.642 6.060 ( 0.000 6.344 0.000) 6.344 6.212 ( 0.000 -5.635 0.000) 5.635 6.716 ( 0.000 7.502 0.000) 7.502 6.801 ( 0.000 -0.379 0.000) 0.379 7.141 ( 0.000 6.465 0.000) 6.465 7.337 ( 0.000 -11.334 0.000) 11.334 7.404 ( 0.000 0.718 0.000) 0.718 7.463 ( 0.000 -5.432 0.000) 5.432 8.087 ( 0.000 6.655 0.000) 6.655 8.204 ( 0.000 -4.602 0.000) 4.602 11.742 ( 0.000 0.808 0.000) 0.808 11.764 ( 0.000 -1.195 0.000) 1.195 13.259 ( 0.000 9.041 0.000) 9.041 13.430 ( 0.000 -8.297 0.000) 8.297 13.526 ( 0.000 10.740 0.000) 10.740 13.761 ( 0.000 -11.193 0.000) 11.193 14.828 ( 0.000 1.795 0.000) 1.795 14.851 ( 0.000 -0.295 0.000) 0.295 15.046 ( 0.000 1.385 0.000) 1.385 15.078 ( 0.000 -1.672 0.000) 1.672 15.249 ( 0.000 5.099 0.000) 5.099 15.377 ( 0.000 -7.046 0.000) 7.046 15.984 ( 0.000 2.881 0.000) 2.881 16.048 ( 0.000 -3.225 0.000) 3.225 16.339 ( 0.000 0.425 0.000) 0.425 16.355 ( 0.000 -1.260 0.000) 1.260 ======================= Grid point 28 (17/72) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 6.037 11.873 -0.959) 13.354 0.939 ( 1.052 8.304 4.213) 9.371 1.030 ( 1.323 -5.104 1.475) 5.475 1.056 ( 2.896 -6.671 2.756) 7.777 1.213 ( 6.103 6.821 0.356) 9.159 1.330 ( 0.862 -3.768 -0.870) 3.962 1.427 ( 2.439 1.246 -4.905) 5.618 1.468 ( 4.424 -1.741 -2.414) 5.332 1.565 ( 5.413 2.810 -3.861) 7.219 1.635 ( 3.528 -2.774 -1.941) 4.890 1.743 ( 1.263 1.941 4.915) 5.433 1.801 ( 1.688 -2.309 5.288) 6.012 1.879 ( 4.269 4.144 0.889) 6.016 1.926 ( 1.919 0.569 -1.271) 2.371 1.932 ( -0.037 4.602 -3.254) 5.636 2.011 ( 1.927 -0.997 -0.038) 2.170 2.076 ( 1.511 10.566 2.286) 10.915 2.088 ( 4.855 7.269 1.164) 8.819 2.116 ( 1.632 1.727 4.471) 5.063 2.124 ( 3.099 -0.508 0.035) 3.141 2.187 ( 1.555 -4.708 2.538) 5.570 2.360 ( -1.802 -4.618 -5.186) 7.174 2.424 ( -1.536 9.294 0.499) 9.433 2.477 ( -1.610 3.425 -3.610) 5.230 2.519 ( 1.952 2.274 0.508) 3.040 2.554 ( -2.034 4.272 -1.743) 5.042 2.572 ( -2.306 4.502 1.248) 5.210 2.616 ( 0.198 0.571 2.688) 2.755 2.642 ( -3.885 0.245 1.469) 4.161 2.741 ( -0.902 3.980 -1.929) 4.514 2.819 ( -1.481 -4.034 1.113) 4.438 2.836 ( 1.145 -3.213 2.602) 4.290 2.890 ( -2.202 -1.827 -0.381) 2.887 2.953 ( -1.116 -0.770 -0.523) 1.453 2.962 ( -1.348 1.152 -1.941) 2.629 3.027 ( -0.121 -3.491 -0.568) 3.539 3.065 ( -1.179 -4.419 0.539) 4.605 3.141 ( -1.509 -12.592 0.548) 12.693 3.249 ( -1.203 1.913 -2.835) 3.626 3.333 ( -0.011 -4.480 0.455) 4.503 3.435 ( 0.462 2.916 -1.193) 3.185 3.496 ( -0.519 -2.555 -0.551) 2.665 3.588 ( -2.447 2.489 -0.969) 3.622 3.660 ( -2.978 -3.157 -3.586) 5.630 3.713 ( -1.816 -0.012 -0.405) 1.860 3.753 ( -2.414 -2.363 -1.288) 3.615 3.906 ( 2.554 0.651 1.866) 3.229 3.939 ( 2.495 -2.290 3.452) 4.836 4.500 ( 0.730 0.226 1.242) 1.459 4.532 ( 1.726 -3.057 1.502) 3.819 4.906 ( 0.539 0.525 4.981) 5.037 4.927 ( 0.569 -1.759 2.380) 3.014 5.084 ( -6.450 2.776 -7.240) 10.086 5.168 ( -7.585 -4.775 -6.826) 11.266 5.453 ( 3.806 3.483 3.305) 6.127 5.516 ( 3.724 -2.611 1.437) 4.770 5.943 ( -0.692 1.948 -0.336) 2.094 5.974 ( -0.693 -1.099 -0.149) 1.307 6.097 ( 1.051 8.477 7.035) 11.066 6.253 ( 0.840 -4.965 6.006) 7.837 6.587 ( -9.007 4.085 -7.863) 12.635 6.651 ( -9.295 -1.999 -7.742) 12.261 7.191 ( 3.752 7.983 0.959) 8.873 7.345 ( -3.456 -2.010 9.594) 10.393 7.451 ( 6.379 -5.749 -5.776) 10.349 7.486 ( 2.245 -5.256 -2.118) 6.095 8.109 ( 1.528 6.170 1.782) 6.601 8.224 ( 1.764 -4.761 0.120) 5.079 11.745 ( 0.113 0.354 0.326) 0.494 11.755 ( -0.540 -0.508 -0.480) 0.883 13.205 ( -4.618 7.240 -2.672) 8.993 13.274 ( -7.236 0.962 -7.963) 10.803 13.593 ( -1.332 1.368 6.793) 7.056 13.713 ( -6.672 -8.232 4.534) 11.525 14.854 ( 1.497 0.836 1.317) 2.162 14.860 ( 1.018 0.408 -0.324) 1.144 15.061 ( 2.155 2.414 -0.628) 3.297 15.119 ( 4.892 -3.083 -1.673) 6.020 15.280 ( 3.842 5.603 -0.868) 6.849 15.427 ( 4.150 -8.222 1.595) 9.347 15.970 ( -1.393 1.834 0.121) 2.306 16.010 ( -2.514 -1.943 -1.389) 3.468 16.350 ( 1.213 1.593 0.055) 2.004 16.397 ( 2.797 -2.871 1.282) 4.208 ======================= Grid point 29 (18/72) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 9.760 7.014 -1.707) 12.139 1.029 ( 2.057 4.862 5.642) 7.727 1.095 ( 5.719 -1.805 -2.912) 6.666 1.158 ( 4.296 -3.584 4.342) 7.082 1.274 ( -1.152 1.220 0.122) 1.682 1.323 ( 1.790 -2.374 -0.416) 3.002 1.455 ( 6.016 6.384 -1.220) 8.856 1.590 ( 6.018 -4.477 3.336) 8.209 1.651 ( 8.052 3.252 -4.413) 9.741 1.684 ( 6.778 1.388 -4.936) 8.499 1.791 ( 1.354 0.282 0.957) 1.682 1.825 ( -0.489 -0.708 -1.095) 1.393 1.929 ( 1.771 2.071 1.471) 3.097 1.961 ( 2.843 -0.573 -1.300) 3.178 2.002 ( 2.770 4.988 0.716) 5.750 2.090 ( 2.648 -1.179 1.872) 3.451 2.131 ( 4.917 2.261 0.951) 5.494 2.138 ( 3.302 6.030 -2.111) 7.191 2.171 ( 0.274 1.183 0.036) 1.215 2.184 ( -1.257 -1.230 1.185) 2.121 2.236 ( 2.476 4.393 1.923) 5.397 2.316 ( 1.951 2.311 -1.229) 3.265 2.382 ( -3.098 8.407 -0.621) 8.981 2.437 ( 0.950 6.131 -0.263) 6.209 2.475 ( -4.092 2.505 -3.041) 5.680 2.502 ( -2.387 2.497 1.369) 3.715 2.566 ( -5.008 -1.544 -0.025) 5.241 2.592 ( 2.507 -0.810 0.141) 2.638 2.651 ( -0.320 1.024 2.157) 2.409 2.741 ( 2.061 10.012 3.436) 10.784 2.801 ( -1.086 -8.036 -0.755) 8.144 2.815 ( -1.478 0.573 -0.579) 1.688 2.905 ( -3.331 1.384 0.394) 3.629 2.926 ( -1.864 -0.620 1.138) 2.270 2.931 ( -0.843 -2.941 1.159) 3.271 3.003 ( 1.817 -4.757 -1.161) 5.223 3.042 ( -0.634 -3.767 -0.339) 3.835 3.118 ( -2.414 -9.831 1.590) 10.247 3.224 ( 0.667 1.232 -0.963) 1.700 3.316 ( -1.114 -5.373 -1.338) 5.648 3.414 ( -1.951 0.719 -0.943) 2.283 3.445 ( -4.589 -1.202 -1.707) 5.042 3.567 ( -0.921 -0.874 2.304) 2.631 3.593 ( -1.130 -2.932 -1.744) 3.594 3.649 ( -2.547 0.383 -2.547) 3.622 3.697 ( -2.129 -3.683 -0.364) 4.269 3.971 ( 2.125 0.997 1.634) 2.860 4.000 ( 0.868 -1.452 2.372) 2.914 4.515 ( -0.171 1.015 -0.079) 1.032 4.562 ( -0.017 -3.238 0.011) 3.238 4.921 ( -3.358 2.393 -0.874) 4.215 4.967 ( -0.624 -1.134 4.555) 4.735 4.982 ( -0.345 -1.852 2.266) 2.947 5.003 ( -3.677 -4.409 -5.090) 7.672 5.491 ( 0.175 2.438 -1.741) 3.001 5.539 ( -0.133 -2.343 -1.948) 3.050 5.957 ( 2.063 2.813 2.334) 4.198 5.989 ( 2.946 0.498 -0.101) 2.989 6.169 ( -2.904 8.356 5.402) 10.365 6.329 ( -9.526 1.125 -7.434) 12.136 6.331 ( -0.189 -2.874 7.759) 8.276 6.428 ( -5.750 -5.400 -4.970) 9.323 7.251 ( 1.025 9.684 -1.650) 9.876 7.371 ( -1.832 4.251 7.608) 8.906 7.467 ( 1.663 -6.475 -7.836) 10.300 7.521 ( 4.237 -7.721 0.078) 8.808 8.162 ( 2.130 4.389 1.041) 4.988 8.254 ( 1.122 -4.206 0.671) 4.405 11.743 ( -0.048 0.455 -0.291) 0.542 11.754 ( 0.336 -0.599 0.334) 0.764 13.057 ( -8.506 5.584 -1.500) 10.285 13.086 ( -8.317 2.590 -2.158) 8.975 13.580 ( -2.921 0.352 -0.971) 3.099 13.654 ( -3.838 -6.436 3.891) 8.443 14.877 ( 0.820 1.353 0.564) 1.680 14.890 ( 0.647 0.081 2.253) 2.345 15.107 ( 3.660 3.987 -1.229) 5.549 15.196 ( 5.093 -3.889 -1.760) 6.645 15.351 ( 4.805 6.046 -1.760) 7.920 15.529 ( 4.767 -10.339 2.168) 11.590 15.944 ( -1.396 0.698 -0.197) 1.573 15.964 ( -1.354 -1.251 -0.060) 1.844 16.373 ( 1.214 2.953 -0.184) 3.198 16.448 ( 1.531 -4.144 0.798) 4.489 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 1.592 1.250 -4.750) 5.163 1.041 ( 0.452 0.263 -5.019) 5.046 1.195 ( 4.313 4.526 4.345) 7.614 1.269 ( 5.796 1.797 0.266) 6.074 1.294 ( 1.265 -1.417 5.246) 5.579 1.379 ( 1.835 -4.889 2.239) 5.682 1.575 ( 5.691 9.561 0.847) 11.159 1.708 ( 3.526 0.331 3.373) 4.891 1.761 ( 2.562 0.653 0.213) 2.652 1.768 ( 7.174 3.335 -1.611) 8.074 1.776 ( 0.721 -0.981 -3.931) 4.115 1.845 ( 4.923 -1.184 -1.907) 5.410 1.900 ( -3.291 -0.470 -4.364) 5.486 1.920 ( -0.650 -0.151 -7.119) 7.150 2.043 ( 1.394 7.375 0.709) 7.539 2.125 ( -5.400 1.938 0.803) 5.793 2.165 ( -0.360 0.939 0.297) 1.049 2.168 ( 2.676 2.032 0.748) 3.442 2.194 ( 2.311 2.096 3.582) 4.750 2.217 ( 2.336 -0.649 1.000) 2.623 2.291 ( -0.438 9.486 0.087) 9.496 2.313 ( 0.665 7.484 0.060) 7.513 2.333 ( -0.979 5.526 -1.091) 5.718 2.365 ( -2.096 6.730 -2.127) 7.363 2.466 ( -1.187 -2.520 2.462) 3.717 2.528 ( 0.684 3.331 1.776) 3.836 2.569 ( 6.647 -5.413 -0.315) 8.578 2.622 ( -2.442 2.513 1.031) 3.652 2.642 ( 1.304 -3.073 -0.221) 3.346 2.741 ( -3.556 -3.549 -1.774) 5.328 2.780 ( -1.578 2.115 1.857) 3.227 2.824 ( 0.502 -0.634 -1.604) 1.796 2.848 ( -2.116 -3.833 -0.727) 4.439 2.890 ( -1.868 -2.270 -0.248) 2.950 2.942 ( 3.714 5.662 3.492) 7.619 3.023 ( -0.018 -1.818 -1.255) 2.209 3.055 ( -1.003 -4.232 1.678) 4.661 3.131 ( 1.933 -7.786 3.501) 8.753 3.245 ( 1.199 -0.899 0.178) 1.509 3.271 ( -3.281 -3.195 -1.424) 4.795 3.326 ( -4.422 -0.021 -2.401) 5.032 3.355 ( -2.670 -3.301 -1.152) 4.399 3.560 ( -0.660 0.032 1.878) 1.991 3.592 ( -0.949 -0.015 -1.222) 1.547 3.620 ( 0.520 -1.640 2.806) 3.292 3.682 ( 0.374 -4.699 0.383) 4.730 4.003 ( 0.353 0.727 0.502) 0.952 4.015 ( -0.480 -0.422 0.882) 1.089 4.491 ( -1.238 0.073 -1.403) 1.873 4.524 ( -2.285 -2.326 -2.349) 4.019 4.874 ( -0.518 0.791 -1.273) 1.586 4.920 ( -1.280 -3.747 -2.024) 4.447 4.988 ( -2.137 -0.673 3.103) 3.827 5.007 ( -0.644 -2.752 3.256) 4.311 5.458 ( -0.428 1.285 -3.033) 3.322 5.506 ( -0.900 -3.259 -1.758) 3.811 6.035 ( -0.272 2.788 -1.045) 2.990 6.058 ( 3.347 0.424 -1.884) 3.865 6.078 ( -0.635 5.749 -0.591) 5.814 6.176 ( -0.983 -2.201 -0.699) 2.510 6.362 ( -4.608 0.939 5.309) 7.092 6.398 ( -0.432 -1.973 4.741) 5.153 7.181 ( -3.426 10.894 -4.133) 12.145 7.410 ( -2.064 -10.038 -0.048) 10.248 7.447 ( 3.814 6.887 -0.508) 7.889 7.591 ( 2.595 -6.849 0.832) 7.371 8.185 ( 0.570 4.224 -0.939) 4.365 8.279 ( 0.536 -4.331 1.306) 4.555 11.746 ( 0.502 0.523 -0.038) 0.726 11.764 ( 0.369 -1.006 0.241) 1.098 12.920 ( -5.834 4.715 0.387) 7.511 12.941 ( -6.412 2.798 -0.001) 6.996 13.511 ( -1.825 3.470 -2.828) 4.834 13.639 ( -0.968 -8.883 1.117) 9.005 14.897 ( 0.491 1.847 0.937) 2.128 14.919 ( 0.294 -0.173 1.906) 1.936 15.153 ( 2.548 4.619 -1.093) 5.388 15.254 ( 3.015 -4.534 -1.531) 5.656 15.402 ( 2.467 8.132 -1.215) 8.585 15.619 ( 2.914 -12.116 1.553) 12.558 15.925 ( -0.386 0.993 -0.170) 1.079 15.955 ( -0.304 -1.932 0.541) 2.029 16.388 ( 0.647 3.156 -0.197) 3.227 16.466 ( 0.159 -4.225 0.249) 4.235 ======================= Grid point 31 (20/72) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 1.175 0.000) 1.175 1.013 ( 0.000 0.249 0.000) 0.249 1.271 ( 0.000 2.674 0.000) 2.674 1.325 ( 0.000 -2.745 -0.000) 2.745 1.359 ( 0.000 1.240 0.000) 1.240 1.390 ( -0.000 -1.281 -0.000) 1.281 1.634 ( -0.000 7.945 0.000) 7.945 1.739 ( 0.000 1.026 0.000) 1.026 1.765 ( 0.000 2.834 -0.000) 2.834 1.809 ( 0.000 -0.317 0.000) 0.317 1.812 ( -0.000 -0.110 -0.000) 0.110 1.832 ( 0.000 -0.351 0.000) 0.351 1.890 ( -0.000 3.142 0.000) 3.142 1.923 ( -0.000 1.582 -0.000) 1.582 2.032 ( 0.000 5.116 0.000) 5.116 2.052 ( 0.000 2.535 0.000) 2.535 2.154 ( 0.000 1.442 0.000) 1.442 2.188 ( 0.000 -1.072 0.000) 1.072 2.242 ( 0.000 5.097 0.000) 5.097 2.258 ( 0.000 5.666 -0.000) 5.666 2.260 ( -0.000 1.682 0.000) 1.682 2.291 ( 0.000 10.797 0.000) 10.797 2.339 ( 0.000 2.599 0.000) 2.599 2.392 ( 0.000 8.855 0.000) 8.855 2.482 ( -0.000 2.641 -0.000) 2.641 2.517 ( 0.000 -0.387 0.000) 0.387 2.601 ( 0.000 -7.297 0.000) 7.297 2.603 ( -0.000 -1.889 0.000) 1.889 2.680 ( -0.000 -2.624 -0.000) 2.624 2.719 ( 0.000 -3.857 0.000) 3.857 2.769 ( 0.000 -0.017 -0.000) 0.017 2.784 ( 0.000 -2.256 0.000) 2.256 2.843 ( 0.000 -2.236 -0.000) 2.236 2.862 ( 0.000 -1.571 -0.000) 1.571 3.006 ( -0.000 -3.073 0.000) 3.073 3.038 ( 0.000 -2.113 0.000) 2.113 3.068 ( -0.000 3.640 -0.000) 3.640 3.130 ( 0.000 -0.018 0.000) 0.018 3.239 ( 0.000 -4.237 0.000) 4.237 3.242 ( -0.000 -6.149 -0.000) 6.149 3.271 ( 0.000 1.800 -0.000) 1.800 3.332 ( -0.000 -4.330 0.000) 4.330 3.561 ( 0.000 0.880 -0.000) 0.880 3.606 ( -0.000 -3.733 0.000) 3.733 3.615 ( 0.000 2.883 0.000) 2.883 3.703 ( 0.000 -5.074 0.000) 5.074 4.005 ( 0.000 0.980 0.000) 0.980 4.014 ( 0.000 -0.319 -0.000) 0.319 4.469 ( 0.000 -0.916 0.000) 0.916 4.481 ( 0.000 -1.219 0.000) 1.219 4.866 ( 0.000 0.300 0.000) 0.300 4.900 ( 0.000 -3.547 -0.000) 3.547 4.979 ( -0.000 -0.240 0.000) 0.240 5.016 ( 0.000 -3.701 -0.000) 3.701 5.438 ( 0.000 0.693 0.000) 0.693 5.488 ( 0.000 -3.724 0.000) 3.724 5.993 ( -0.000 2.457 0.000) 2.457 6.016 ( 0.000 -0.552 -0.000) 0.552 6.171 ( 0.000 2.019 0.000) 2.019 6.201 ( 0.000 0.334 -0.000) 0.334 6.320 ( 0.000 5.443 -0.000) 5.443 6.415 ( -0.000 -3.232 0.000) 3.232 7.120 ( 0.000 12.220 0.000) 12.220 7.386 ( 0.000 -12.209 0.000) 12.209 7.485 ( 0.000 6.920 0.000) 6.920 7.619 ( 0.000 -6.030 0.000) 6.030 8.182 ( 0.000 4.920 0.000) 4.920 8.291 ( 0.000 -4.874 0.000) 4.874 11.752 ( -0.000 0.395 0.000) 0.395 11.769 ( 0.000 -1.033 0.000) 1.033 12.869 ( -0.000 4.053 0.000) 4.053 12.879 ( 0.000 3.084 0.000) 3.084 13.480 ( 0.000 4.977 0.000) 4.977 13.636 ( 0.000 -10.100 0.000) 10.100 14.907 ( 0.000 2.014 0.000) 2.014 14.932 ( 0.000 -0.232 0.000) 0.232 15.171 ( 0.000 4.606 0.000) 4.606 15.273 ( 0.000 -5.128 0.000) 5.128 15.418 ( 0.000 9.659 -0.000) 9.659 15.653 ( 0.000 -12.821 0.000) 12.821 15.922 ( 0.000 1.183 0.000) 1.183 15.956 ( 0.000 -2.105 0.000) 2.105 16.393 ( 0.000 2.924 0.000) 2.924 16.467 ( -0.000 -4.060 -0.000) 4.060 ======================= Grid point 63 (21/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 3.914 0.000 16.251) 16.715 0.360 ( -9.866 0.000 18.022) 20.546 0.655 ( 4.013 0.000 30.405) 30.668 0.880 ( -2.673 0.000 -8.211) 8.635 0.916 ( 6.997 0.000 -8.331) 10.879 1.040 ( -2.654 0.000 2.035) 3.344 1.210 ( 0.764 0.000 1.146) 1.377 1.262 ( 2.990 0.000 1.320) 3.268 1.391 ( -2.146 0.000 -3.562) 4.159 1.500 ( 5.943 0.000 -1.021) 6.030 1.579 ( -2.112 0.000 -3.230) 3.860 1.591 ( -3.139 0.000 -0.115) 3.141 1.688 ( 0.081 0.000 0.808) 0.812 1.760 ( 1.601 0.000 -5.205) 5.446 1.870 ( 0.231 0.000 0.346) 0.416 1.905 ( -3.018 0.000 -0.513) 3.062 1.927 ( 1.704 0.000 1.160) 2.061 1.968 ( 1.231 0.000 7.287) 7.390 2.004 ( -5.345 0.000 -5.138) 7.414 2.121 ( -0.944 0.000 2.858) 3.010 2.183 ( 2.140 0.000 0.503) 2.199 2.257 ( 0.959 0.000 3.321) 3.456 2.272 ( -3.607 0.000 -2.631) 4.465 2.338 ( -5.616 0.000 -11.394) 12.703 2.358 ( -1.572 0.000 2.708) 3.131 2.379 ( 0.603 0.000 3.625) 3.675 2.533 ( 3.031 0.000 -5.231) 6.046 2.645 ( 2.843 0.000 3.687) 4.656 2.652 ( -7.157 0.000 -9.109) 11.584 2.755 ( -2.803 0.000 -0.719) 2.893 2.790 ( -0.465 0.000 1.290) 1.371 2.861 ( 4.063 0.000 -0.470) 4.090 2.917 ( -1.381 0.000 -4.999) 5.186 3.011 ( -0.961 0.000 -6.678) 6.747 3.054 ( 0.857 0.000 2.177) 2.340 3.196 ( -2.807 0.000 2.496) 3.756 3.232 ( -1.865 0.000 -1.908) 2.668 3.279 ( 0.579 0.000 -0.573) 0.815 3.389 ( 4.537 0.000 1.324) 4.727 3.400 ( -1.841 0.000 1.780) 2.561 3.483 ( -0.666 0.000 9.094) 9.118 3.681 ( 1.380 0.000 0.959) 1.681 3.714 ( 2.727 0.000 6.210) 6.783 3.740 ( 5.637 0.000 3.839) 6.820 3.741 ( -0.176 0.000 -3.441) 3.445 3.967 ( -3.187 0.000 0.083) 3.188 4.015 ( -0.317 0.000 -3.106) 3.122 4.060 ( -12.619 0.000 -4.679) 13.458 4.607 ( -0.273 0.000 6.982) 6.988 4.806 ( 3.130 0.000 -2.670) 4.114 4.942 ( 5.461 0.000 -0.670) 5.502 5.095 ( -0.510 0.000 -2.510) 2.562 5.163 ( -1.549 0.000 -2.570) 3.001 5.164 ( 3.194 0.000 -0.196) 3.200 5.216 ( -9.571 0.000 9.200) 13.275 5.532 ( 6.654 0.000 -5.023) 8.337 5.780 ( 1.047 0.000 2.679) 2.876 5.856 ( 0.452 0.000 -0.884) 0.992 6.124 ( 1.352 0.000 -0.893) 1.620 6.141 ( -1.143 0.000 -1.997) 2.301 6.796 ( 4.436 0.000 4.371) 6.227 6.920 ( -6.612 0.000 0.944) 6.679 6.982 ( 48.935 0.000 -0.775) 48.942 6.997 ( -6.893 0.000 -3.236) 7.615 7.738 ( 5.339 0.000 1.992) 5.698 7.851 ( -7.527 0.000 -2.991) 8.100 8.015 ( -35.946 0.000 1.141) 35.964 8.038 ( 5.621 0.000 -0.097) 5.622 11.803 ( 0.198 0.000 0.052) 0.205 11.808 ( -0.223 0.000 -0.164) 0.277 12.567 ( -0.558 0.000 0.564) 0.794 12.589 ( 0.079 0.000 -0.342) 0.351 14.173 ( 66.412 0.000 1.133) 66.422 14.238 ( -12.858 0.000 -1.517) 12.947 14.727 ( -0.004 0.000 0.135) 0.135 14.727 ( 0.230 0.000 0.112) 0.256 15.026 ( 0.420 0.000 1.563) 1.618 15.108 ( -0.941 0.000 -1.784) 2.018 15.616 ( -39.212 0.000 1.141) 39.228 15.675 ( 10.785 0.000 -1.204) 10.852 16.021 ( -1.485 0.000 2.827) 3.193 16.190 ( -8.966 0.000 -4.989) 10.261 16.371 ( -9.425 0.000 3.430) 10.030 16.454 ( 2.685 0.000 -0.902) 2.832 ======================= Grid point 64 (22/72) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 8.081 0.000 9.616) 12.561 0.587 ( 8.918 0.000 13.874) 16.493 0.754 ( 1.668 0.000 -9.593) 9.737 0.982 ( 9.055 0.000 -11.427) 14.579 1.105 ( 3.850 0.000 2.526) 4.605 1.112 ( 14.004 0.000 18.624) 23.301 1.266 ( 0.498 0.000 -0.265) 0.564 1.319 ( -0.182 0.000 -3.446) 3.451 1.344 ( 4.066 0.000 2.160) 4.604 1.482 ( -1.729 0.000 -7.889) 8.076 1.508 ( 0.347 0.000 0.549) 0.649 1.624 ( 5.585 0.000 0.882) 5.655 1.721 ( 0.227 0.000 2.874) 2.883 1.726 ( 1.462 0.000 -5.782) 5.964 1.779 ( -4.281 0.000 -3.187) 5.337 1.907 ( -0.948 0.000 0.101) 0.953 1.938 ( 2.270 0.000 1.200) 2.568 1.979 ( -0.571 0.000 5.415) 5.445 2.021 ( 1.989 0.000 2.119) 2.906 2.109 ( -1.399 0.000 -1.525) 2.069 2.144 ( -8.060 0.000 -1.289) 8.162 2.179 ( 0.646 0.000 -3.096) 3.162 2.227 ( 0.643 0.000 -1.665) 1.785 2.344 ( 1.332 0.000 3.256) 3.518 2.413 ( -4.997 0.000 -8.345) 9.727 2.462 ( 4.288 0.000 6.185) 7.526 2.513 ( 6.801 0.000 9.017) 11.294 2.552 ( 1.921 0.000 -6.954) 7.215 2.689 ( -4.441 0.000 -3.423) 5.607 2.702 ( -1.526 0.000 3.092) 3.448 2.787 ( -2.043 0.000 2.014) 2.869 2.844 ( -4.799 0.000 -2.309) 5.326 2.858 ( -0.474 0.000 -2.330) 2.378 2.899 ( 1.491 0.000 -4.738) 4.967 3.157 ( -0.812 0.000 -2.654) 2.776 3.176 ( 3.978 0.000 4.767) 6.209 3.232 ( 1.458 0.000 -1.289) 1.946 3.275 ( -0.782 0.000 1.334) 1.546 3.387 ( 1.863 0.000 -0.425) 1.911 3.499 ( 4.358 0.000 -0.328) 4.370 3.564 ( 0.238 0.000 7.377) 7.381 3.676 ( -2.488 0.000 0.261) 2.502 3.707 ( -0.356 0.000 -4.260) 4.275 3.768 ( 0.288 0.000 -1.278) 1.310 3.806 ( -8.042 0.000 -4.877) 9.405 3.893 ( 2.046 0.000 9.979) 10.186 3.963 ( -0.297 0.000 1.003) 1.046 4.018 ( 1.992 0.000 0.438) 2.040 4.665 ( -0.432 0.000 5.531) 5.548 4.766 ( -2.530 0.000 -5.759) 6.290 5.014 ( -2.419 0.000 -7.133) 7.532 5.020 ( 2.390 0.000 1.491) 2.817 5.131 ( -4.235 0.000 6.417) 7.689 5.172 ( 3.714 0.000 -1.019) 3.851 5.272 ( 4.436 0.000 1.735) 4.763 5.593 ( 5.772 0.000 -4.277) 7.184 5.793 ( -0.670 0.000 0.788) 1.034 5.847 ( -0.469 0.000 -0.887) 1.003 6.080 ( -3.622 0.000 -1.497) 3.920 6.133 ( 0.260 0.000 -0.046) 0.264 6.666 ( -15.746 0.000 -7.624) 17.495 6.835 ( -6.546 0.000 -5.149) 8.328 6.895 ( 1.292 0.000 6.273) 6.405 7.318 ( -2.936 0.000 -5.151) 5.929 7.585 ( -5.257 0.000 2.700) 5.909 7.871 ( 5.941 0.000 3.923) 7.120 7.873 ( 2.132 0.000 -1.148) 2.421 8.205 ( 8.431 0.000 5.441) 10.034 11.811 ( 0.728 0.000 -0.076) 0.732 11.818 ( 1.108 0.000 0.231) 1.132 12.550 ( -2.266 0.000 0.730) 2.381 12.566 ( -2.095 0.000 -0.358) 2.125 13.886 ( -16.442 0.000 -13.186) 21.076 14.704 ( -1.346 0.000 -2.834) 3.137 14.737 ( -0.862 0.000 -0.068) 0.865 14.745 ( 1.411 0.000 0.080) 1.413 15.015 ( 3.580 0.000 -2.240) 4.223 15.049 ( -2.596 0.000 -1.376) 2.938 15.252 ( -0.914 0.000 8.263) 8.313 15.869 ( 6.336 0.000 -0.653) 6.370 16.064 ( 2.918 0.000 8.340) 8.836 16.118 ( -0.112 0.000 -1.872) 1.875 16.331 ( -1.586 0.000 2.473) 2.938 16.523 ( 4.609 0.000 1.261) 4.778 ======================= Grid point 65 (23/72) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 9.680 0.000 -7.932) 12.514 0.826 ( 10.139 0.000 3.505) 10.727 0.876 ( 10.871 0.000 2.488) 11.152 0.945 ( 3.260 0.000 -10.900) 11.377 1.106 ( -2.825 0.000 1.547) 3.221 1.184 ( -4.311 0.000 -2.808) 5.145 1.359 ( 2.244 0.000 -1.942) 2.968 1.403 ( 3.593 0.000 4.059) 5.421 1.442 ( 5.121 0.000 0.910) 5.202 1.486 ( 7.207 0.000 0.771) 7.248 1.593 ( 2.382 0.000 4.968) 5.509 1.692 ( -1.459 0.000 -1.370) 2.001 1.697 ( -5.044 0.000 5.960) 7.808 1.707 ( 4.701 0.000 -3.074) 5.617 1.782 ( 4.453 0.000 -0.774) 4.520 1.870 ( 0.179 0.000 -3.233) 3.238 1.967 ( -5.093 0.000 -6.530) 8.281 1.993 ( 1.306 0.000 -1.611) 2.074 2.009 ( -1.313 0.000 3.125) 3.390 2.062 ( -0.698 0.000 -1.851) 1.978 2.156 ( 5.972 0.000 1.420) 6.138 2.189 ( 4.045 0.000 2.771) 4.904 2.269 ( 2.459 0.000 3.695) 4.439 2.334 ( -0.279 0.000 -0.980) 1.019 2.393 ( 2.258 0.000 4.086) 4.669 2.515 ( 1.415 0.000 -8.912) 9.024 2.544 ( -2.546 0.000 6.167) 6.672 2.555 ( -1.984 0.000 -4.962) 5.344 2.674 ( -3.359 0.000 2.059) 3.940 2.707 ( -0.871 0.000 9.780) 9.819 2.787 ( 4.647 0.000 -3.209) 5.647 2.791 ( -2.460 0.000 3.981) 4.680 2.839 ( 0.622 0.000 3.306) 3.364 2.866 ( -0.222 0.000 -4.636) 4.641 3.129 ( -0.711 0.000 -1.526) 1.684 3.224 ( -0.584 0.000 3.017) 3.073 3.264 ( 2.928 0.000 0.009) 2.928 3.322 ( 1.358 0.000 1.741) 2.208 3.433 ( -7.758 0.000 -8.277) 11.344 3.454 ( 3.304 0.000 3.505) 4.817 3.554 ( -6.943 0.000 -3.353) 7.710 3.611 ( -0.245 0.000 2.018) 2.033 3.675 ( -0.669 0.000 -2.528) 2.615 3.733 ( -2.477 0.000 -0.832) 2.613 3.738 ( 4.080 0.000 -1.087) 4.222 3.942 ( -5.860 0.000 6.367) 8.653 3.999 ( 1.667 0.000 2.055) 2.646 4.063 ( 1.920 0.000 0.489) 1.982 4.641 ( -5.021 0.000 -5.053) 7.124 4.698 ( -0.659 0.000 3.903) 3.959 4.914 ( -0.967 0.000 -6.121) 6.197 5.058 ( 0.033 0.000 3.987) 3.987 5.171 ( 1.619 0.000 3.908) 4.230 5.252 ( 6.740 0.000 -1.755) 6.965 5.367 ( 5.276 0.000 0.412) 5.292 5.651 ( 4.848 0.000 -4.267) 6.459 5.782 ( -1.594 0.000 1.040) 1.903 5.823 ( -0.900 0.000 -1.417) 1.679 5.995 ( -4.639 0.000 0.003) 4.639 6.136 ( -0.595 0.000 1.624) 1.729 6.337 ( -9.448 0.000 -9.624) 13.486 6.673 ( -6.446 0.000 -3.460) 7.316 6.933 ( -3.105 0.000 3.595) 4.750 7.191 ( -5.183 0.000 -0.402) 5.199 7.538 ( -2.781 0.000 0.181) 2.787 7.927 ( 4.466 0.000 -0.988) 4.574 8.009 ( 5.773 0.000 2.390) 6.248 8.366 ( 2.490 0.000 5.396) 5.943 11.827 ( 0.816 0.000 -0.010) 0.816 11.842 ( 1.196 0.000 0.179) 1.209 12.503 ( -3.343 0.000 0.369) 3.364 12.518 ( -2.790 0.000 -0.173) 2.795 13.521 ( -7.646 0.000 -13.032) 15.110 14.525 ( -12.542 0.000 4.072) 13.186 14.759 ( 1.635 0.000 0.103) 1.638 14.772 ( 1.440 0.000 -0.086) 1.442 15.008 ( -1.041 0.000 -0.352) 1.099 15.078 ( 5.956 0.000 -6.362) 8.715 15.377 ( 4.806 0.000 5.102) 7.009 15.888 ( -0.158 0.000 -1.432) 1.441 16.098 ( -0.143 0.000 -1.980) 1.985 16.219 ( 3.271 0.000 7.033) 7.756 16.338 ( -0.490 0.000 2.487) 2.534 16.606 ( 2.019 0.000 1.437) 2.478 ======================= Grid point 66 (24/72) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 11.706 0.000 -3.925) 12.346 0.820 ( 3.587 0.000 -11.588) 12.131 0.988 ( 4.554 0.000 -1.856) 4.917 1.132 ( 3.005 0.000 5.090) 5.911 1.151 ( 0.796 0.000 3.057) 3.159 1.181 ( 10.264 0.000 7.624) 12.785 1.321 ( -3.321 0.000 -2.210) 3.989 1.425 ( -5.422 0.000 2.906) 6.152 1.455 ( -0.033 0.000 2.296) 2.296 1.599 ( -5.176 0.000 -1.479) 5.383 1.614 ( 1.019 0.000 2.580) 2.774 1.619 ( -8.883 0.000 6.845) 11.214 1.715 ( 8.972 0.000 -3.168) 9.515 1.750 ( -2.449 0.000 -0.887) 2.604 1.808 ( 1.003 0.000 -3.253) 3.405 1.889 ( 5.957 0.000 0.350) 5.967 1.900 ( 4.200 0.000 -1.984) 4.645 1.994 ( 0.484 0.000 -2.379) 2.428 2.033 ( -0.376 0.000 3.770) 3.788 2.079 ( 4.167 0.000 -1.792) 4.536 2.167 ( 0.957 0.000 -4.119) 4.229 2.262 ( -2.980 0.000 0.072) 2.981 2.314 ( 2.202 0.000 -1.056) 2.442 2.365 ( -0.433 0.000 1.270) 1.342 2.470 ( 4.202 0.000 -5.559) 6.969 2.504 ( 0.619 0.000 4.859) 4.898 2.518 ( -5.180 0.000 4.608) 6.933 2.566 ( 6.154 0.000 -3.397) 7.029 2.660 ( -6.726 0.000 1.741) 6.947 2.687 ( 5.533 0.000 2.034) 5.895 2.791 ( -3.148 0.000 -0.314) 3.164 2.833 ( 3.014 0.000 -0.518) 3.058 2.842 ( 2.930 0.000 -0.295) 2.945 2.930 ( -2.226 0.000 2.366) 3.248 3.121 ( 0.520 0.000 2.813) 2.860 3.168 ( -6.142 0.000 -10.652) 12.296 3.265 ( 2.427 0.000 2.206) 3.280 3.305 ( -3.933 0.000 0.268) 3.942 3.325 ( 1.348 0.000 2.199) 2.580 3.440 ( -2.108 0.000 -1.340) 2.498 3.520 ( -2.806 0.000 6.591) 7.163 3.606 ( 0.532 0.000 -1.410) 1.507 3.658 ( 1.140 0.000 -2.828) 3.049 3.677 ( -2.947 0.000 -0.611) 3.009 3.814 ( 3.258 0.000 1.583) 3.622 3.837 ( -6.946 0.000 -0.557) 6.968 4.039 ( 0.738 0.000 0.899) 1.163 4.089 ( 0.882 0.000 -0.332) 0.942 4.525 ( -3.075 0.000 -1.798) 3.562 4.710 ( -1.596 0.000 2.013) 2.569 4.878 ( 1.399 0.000 -2.283) 2.677 5.087 ( -0.669 0.000 0.704) 0.971 5.233 ( 1.316 0.000 3.517) 3.755 5.376 ( 9.257 0.000 -2.432) 9.571 5.463 ( 3.839 0.000 1.767) 4.226 5.654 ( -0.844 0.000 -4.424) 4.504 5.757 ( -2.625 0.000 2.227) 3.442 5.797 ( 0.252 0.000 -2.148) 2.162 5.942 ( -1.284 0.000 1.089) 1.683 6.117 ( -4.440 0.000 1.035) 4.559 6.212 ( 1.686 0.000 -0.362) 1.725 6.566 ( -3.146 0.000 0.322) 3.162 6.858 ( -4.467 0.000 -3.278) 5.541 7.106 ( -2.822 0.000 -5.726) 6.383 7.520 ( -1.364 0.000 5.342) 5.513 8.012 ( 3.468 0.000 4.062) 5.341 8.096 ( 3.109 0.000 -2.318) 3.877 8.389 ( -2.156 0.000 0.542) 2.223 11.833 ( 0.316 0.000 -0.666) 0.737 11.858 ( 0.666 0.000 -0.402) 0.778 12.451 ( -2.468 0.000 0.315) 2.488 12.473 ( -1.897 0.000 -0.115) 1.900 13.411 ( 1.794 0.000 0.065) 1.795 14.350 ( -7.807 0.000 -4.147) 8.840 14.785 ( 0.990 0.000 0.214) 1.013 14.789 ( 0.697 0.000 -0.217) 0.730 15.000 ( -0.083 0.000 0.266) 0.278 15.097 ( 3.395 0.000 -6.755) 7.561 15.514 ( 2.592 0.000 10.437) 10.754 15.876 ( -0.070 0.000 -0.197) 0.209 16.078 ( 0.197 0.000 -2.176) 2.185 16.285 ( -0.316 0.000 0.748) 0.812 16.358 ( -0.541 0.000 3.499) 3.541 16.611 ( -0.406 0.000 -2.113) 2.152 ======================= Grid point 67 (25/72) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 5.685 0.000 -1.171) 5.805 0.951 ( 4.132 0.000 -0.174) 4.135 1.063 ( 7.264 0.000 2.664) 7.738 1.136 ( -3.244 0.000 -2.993) 4.414 1.171 ( -9.945 0.000 -4.337) 10.850 1.262 ( 4.332 0.000 2.816) 5.167 1.378 ( -2.727 0.000 3.595) 4.512 1.386 ( 4.789 0.000 4.638) 6.667 1.452 ( -2.353 0.000 1.455) 2.766 1.520 ( -2.419 0.000 4.303) 4.937 1.578 ( -5.015 0.000 10.202) 11.368 1.593 ( -0.764 0.000 -3.593) 3.674 1.693 ( -1.809 0.000 1.252) 2.200 1.822 ( 5.497 0.000 -2.767) 6.154 1.881 ( 4.288 0.000 3.341) 5.436 1.947 ( -0.762 0.000 -1.373) 1.571 1.951 ( 0.745 0.000 2.221) 2.343 1.967 ( -2.317 0.000 -1.881) 2.984 2.048 ( -1.239 0.000 0.337) 1.284 2.132 ( 2.049 0.000 -2.080) 2.920 2.141 ( 3.110 0.000 -5.412) 6.242 2.264 ( -1.415 0.000 -7.653) 7.783 2.268 ( 1.462 0.000 6.046) 6.220 2.368 ( 2.303 0.000 1.123) 2.563 2.462 ( -5.079 0.000 4.031) 6.484 2.484 ( -5.201 0.000 -1.241) 5.347 2.524 ( 5.290 0.000 -1.710) 5.560 2.546 ( -4.069 0.000 -3.285) 5.230 2.660 ( -7.821 0.000 -2.231) 8.133 2.669 ( 5.539 0.000 -1.113) 5.650 2.723 ( -1.116 0.000 -3.468) 3.643 2.771 ( -1.210 0.000 -8.741) 8.824 2.880 ( 0.212 0.000 0.594) 0.631 2.954 ( -1.473 0.000 -5.544) 5.736 3.095 ( 6.330 0.000 11.249) 12.908 3.226 ( -3.348 0.000 -0.316) 3.363 3.254 ( 5.800 0.000 2.048) 6.150 3.332 ( 2.905 0.000 -0.224) 2.914 3.369 ( 1.394 0.000 4.153) 4.381 3.457 ( 2.218 0.000 3.322) 3.994 3.465 ( -9.371 0.000 5.821) 11.032 3.598 ( -0.621 0.000 -4.253) 4.298 3.611 ( -2.020 0.000 -2.346) 3.095 3.649 ( 0.969 0.000 -3.117) 3.264 3.783 ( 2.381 0.000 0.466) 2.427 3.854 ( -1.201 0.000 0.384) 1.261 4.031 ( -0.730 0.000 -0.195) 0.755 4.087 ( -0.377 0.000 -1.151) 1.211 4.542 ( 4.184 0.000 3.414) 5.400 4.671 ( -2.777 0.000 -1.860) 3.342 4.916 ( 3.107 0.000 1.523) 3.460 5.029 ( -3.668 0.000 -3.573) 5.121 5.276 ( -1.203 0.000 3.948) 4.127 5.492 ( 3.282 0.000 -5.438) 6.352 5.514 ( -0.192 0.000 1.972) 1.981 5.573 ( -0.169 0.000 -0.600) 0.624 5.736 ( -1.631 0.000 1.155) 1.998 5.797 ( 1.668 0.000 -1.791) 2.448 5.962 ( 0.890 0.000 2.378) 2.539 6.052 ( -2.085 0.000 -1.031) 2.326 6.309 ( 3.690 0.000 8.392) 9.168 6.589 ( 2.879 0.000 5.234) 5.974 6.750 ( -1.057 0.000 -7.787) 7.858 6.955 ( -3.869 0.000 -12.913) 13.480 7.598 ( 1.070 0.000 10.932) 10.984 8.055 ( -1.684 0.000 -8.439) 8.606 8.118 ( 1.861 0.000 7.581) 7.806 8.340 ( -1.921 0.000 -2.570) 3.208 11.833 ( 0.318 0.000 -0.468) 0.566 11.854 ( -0.320 0.000 -1.147) 1.191 12.432 ( -0.067 0.000 0.534) 0.538 12.454 ( 0.004 0.000 -0.276) 0.276 13.548 ( 6.092 0.000 11.815) 13.293 14.157 ( -4.785 0.000 -13.179) 14.020 14.793 ( -0.006 0.000 -0.209) 0.209 14.794 ( -0.110 0.000 0.020) 0.112 15.002 ( -0.171 0.000 0.453) 0.484 15.079 ( 1.281 0.000 -5.238) 5.392 15.664 ( 1.042 0.000 13.494) 13.534 15.886 ( 0.942 0.000 0.775) 1.220 16.071 ( 1.330 0.000 -1.481) 1.991 16.218 ( -4.051 0.000 -5.954) 7.201 16.382 ( -1.110 0.000 4.563) 4.697 16.580 ( 0.348 0.000 -3.745) 3.761 ======================= Grid point 68 (26/72) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -11.876 0.000 -5.282) 12.998 0.889 ( -7.256 0.000 -8.491) 11.169 1.030 ( 1.987 0.000 0.243) 2.002 1.031 ( -5.280 0.000 5.591) 7.690 1.280 ( 2.061 0.000 -5.726) 6.086 1.283 ( 7.817 0.000 5.675) 9.660 1.393 ( -2.579 0.000 0.305) 2.596 1.412 ( -0.618 0.000 3.577) 3.630 1.456 ( 0.978 0.000 2.181) 2.390 1.523 ( -5.397 0.000 4.808) 7.228 1.586 ( -3.353 0.000 5.760) 6.665 1.604 ( 2.193 0.000 -0.316) 2.215 1.697 ( -17.402 0.000 -5.716) 18.316 1.697 ( -0.718 0.000 4.068) 4.131 1.838 ( -1.858 0.000 -0.838) 2.038 1.943 ( 0.800 0.000 -4.919) 4.984 1.969 ( 0.612 0.000 -0.330) 0.695 1.981 ( -2.177 0.000 -5.061) 5.510 2.008 ( 2.705 0.000 5.676) 6.288 2.147 ( 2.715 0.000 1.477) 3.091 2.161 ( -0.467 0.000 -5.114) 5.135 2.198 ( 4.293 0.000 -4.948) 6.551 2.351 ( -5.214 0.000 0.541) 5.242 2.390 ( 0.690 0.000 9.603) 9.628 2.436 ( -1.774 0.000 1.139) 2.108 2.452 ( 3.185 0.000 5.114) 6.025 2.460 ( -1.602 0.000 -5.426) 5.657 2.558 ( -4.666 0.000 -7.181) 8.564 2.636 ( 0.859 0.000 -1.057) 1.362 2.645 ( 6.830 0.000 3.376) 7.619 2.670 ( -1.662 0.000 0.315) 1.692 2.743 ( 3.026 0.000 1.827) 3.535 2.893 ( 2.625 0.000 -0.927) 2.784 2.952 ( 0.918 0.000 -0.414) 1.007 3.191 ( 0.235 0.000 -2.485) 2.496 3.221 ( 0.760 0.000 4.302) 4.369 3.312 ( -5.009 0.000 -5.244) 7.252 3.320 ( -0.025 0.000 0.811) 0.811 3.366 ( -2.684 0.000 2.433) 3.622 3.507 ( 6.737 0.000 5.759) 8.863 3.523 ( -2.276 0.000 -2.874) 3.666 3.574 ( 0.800 0.000 -5.110) 5.173 3.576 ( 5.239 0.000 6.408) 8.277 3.639 ( 1.236 0.000 -1.536) 1.971 3.780 ( -3.337 0.000 -3.401) 4.765 3.862 ( 2.534 0.000 2.037) 3.252 4.035 ( -0.906 0.000 2.050) 2.241 4.055 ( -1.233 0.000 -1.729) 2.124 4.597 ( -1.536 0.000 -3.895) 4.187 4.693 ( 7.339 0.000 4.311) 8.511 4.918 ( -3.766 0.000 -4.499) 5.867 5.007 ( 3.936 0.000 3.511) 5.275 5.247 ( -5.555 0.000 2.804) 6.223 5.391 ( -5.694 0.000 -2.062) 6.056 5.503 ( -3.518 0.000 2.944) 4.587 5.626 ( 3.119 0.000 -4.767) 5.697 5.739 ( 2.103 0.000 0.182) 2.111 5.812 ( 1.270 0.000 -0.789) 1.495 6.004 ( 0.601 0.000 3.667) 3.716 6.035 ( 2.098 0.000 -2.590) 3.333 6.492 ( 6.183 0.000 11.283) 12.866 6.674 ( 1.924 0.000 -13.859) 13.992 6.744 ( 6.048 0.000 8.705) 10.600 6.747 ( -3.248 0.000 -13.016) 13.415 7.746 ( 2.039 0.000 13.021) 13.180 7.911 ( -3.373 0.000 -10.515) 11.043 8.216 ( 0.394 0.000 9.131) 9.140 8.261 ( -3.007 0.000 -5.380) 6.163 11.831 ( -0.763 0.000 -1.247) 1.462 11.834 ( -0.093 0.000 0.157) 0.183 12.455 ( 1.881 0.000 0.521) 1.952 12.470 ( 2.134 0.000 -0.382) 2.168 13.820 ( 8.341 0.000 16.986) 18.924 13.927 ( -2.895 0.000 -21.087) 21.284 14.784 ( -1.022 0.000 -0.014) 1.022 14.785 ( -0.761 0.000 -0.229) 0.795 15.002 ( -0.063 0.000 0.265) 0.272 15.049 ( -0.040 0.000 -3.228) 3.229 15.788 ( -0.624 0.000 10.943) 10.960 15.914 ( 1.471 0.000 -1.065) 1.816 16.058 ( -5.496 0.000 -7.394) 9.213 16.116 ( 3.173 0.000 3.579) 4.783 16.403 ( -1.885 0.000 5.444) 5.762 16.544 ( -0.246 0.000 -4.522) 4.528 ======================= Grid point 69 (27/72) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -15.615 0.000 -4.056) 16.134 0.602 ( -14.254 0.000 -9.449) 17.101 0.999 ( -4.583 0.000 4.718) 6.577 1.006 ( -2.341 0.000 -5.094) 5.606 1.144 ( -28.016 0.000 5.580) 28.567 1.295 ( -4.631 0.000 -4.416) 6.399 1.319 ( 3.853 0.000 -3.297) 5.071 1.408 ( -9.066 0.000 2.284) 9.349 1.430 ( 0.617 0.000 -3.473) 3.527 1.497 ( 2.131 0.000 -0.129) 2.135 1.570 ( 0.870 0.000 5.588) 5.655 1.616 ( 0.625 0.000 4.456) 4.499 1.627 ( -0.393 0.000 0.360) 0.533 1.699 ( -0.442 0.000 1.336) 1.407 1.796 ( 1.464 0.000 -0.504) 1.549 1.876 ( -2.269 0.000 -3.403) 4.090 1.898 ( 0.267 0.000 -4.802) 4.809 1.974 ( -0.537 0.000 -1.812) 1.890 2.073 ( -0.359 0.000 3.984) 4.000 2.115 ( -3.467 0.000 2.897) 4.518 2.185 ( -0.120 0.000 -6.110) 6.111 2.275 ( 6.945 0.000 2.869) 7.514 2.280 ( -2.148 0.000 -2.289) 3.139 2.366 ( -2.946 0.000 -1.169) 3.169 2.407 ( -4.962 0.000 5.714) 7.568 2.446 ( 1.556 0.000 -1.956) 2.499 2.493 ( 3.205 0.000 -3.087) 4.450 2.588 ( 4.564 0.000 6.528) 7.965 2.653 ( 1.202 0.000 1.776) 2.144 2.695 ( 3.357 0.000 2.126) 3.974 2.774 ( 1.959 0.000 2.260) 2.991 2.879 ( 4.173 0.000 3.822) 5.658 2.957 ( 1.047 0.000 -1.470) 1.805 2.978 ( 6.261 0.000 4.340) 7.618 3.114 ( -4.983 0.000 -8.122) 9.529 3.199 ( 1.095 0.000 -3.648) 3.809 3.238 ( -2.988 0.000 3.876) 4.894 3.323 ( 1.077 0.000 -0.513) 1.193 3.347 ( -1.135 0.000 0.904) 1.450 3.469 ( -2.271 0.000 -1.564) 2.757 3.542 ( 1.325 0.000 -3.803) 4.028 3.619 ( 1.128 0.000 -0.924) 1.459 3.650 ( 2.445 0.000 -0.320) 2.466 3.724 ( 2.229 0.000 -1.030) 2.455 3.776 ( 4.606 0.000 11.871) 12.733 3.844 ( -3.604 0.000 -3.410) 4.962 4.024 ( -2.256 0.000 2.144) 3.112 4.046 ( 0.680 0.000 0.795) 1.046 4.561 ( 0.199 0.000 -1.489) 1.502 4.837 ( -0.029 0.000 -4.035) 4.035 4.853 ( 6.991 0.000 1.333) 7.117 5.097 ( 2.516 0.000 1.952) 3.185 5.161 ( -5.893 0.000 2.560) 6.425 5.286 ( -4.513 0.000 -0.545) 4.545 5.443 ( -7.074 0.000 4.107) 8.180 5.591 ( -0.139 0.000 -6.143) 6.145 5.773 ( 1.903 0.000 -3.585) 4.059 5.829 ( 1.442 0.000 -0.555) 1.545 6.063 ( 2.173 0.000 3.781) 4.361 6.065 ( 3.608 0.000 -2.664) 4.485 6.443 ( -4.506 0.000 -22.438) 22.886 6.698 ( 3.112 0.000 -4.780) 5.704 6.725 ( 7.648 0.000 10.054) 12.632 6.935 ( 5.131 0.000 8.763) 10.154 7.762 ( -2.336 0.000 -8.935) 9.235 7.885 ( 0.512 0.000 9.413) 9.427 8.136 ( -4.017 0.000 -6.489) 7.632 8.327 ( 1.765 0.000 11.889) 12.019 11.811 ( -0.494 0.000 -0.413) 0.644 11.830 ( -0.711 0.000 0.389) 0.810 12.500 ( 2.406 0.000 0.602) 2.480 12.517 ( 3.289 0.000 -0.290) 3.301 13.641 ( -4.091 0.000 -26.799) 27.110 14.129 ( 7.302 0.000 16.226) 17.793 14.761 ( -1.470 0.000 0.172) 1.480 14.762 ( -1.430 0.000 -0.344) 1.471 15.014 ( 1.837 0.000 -0.339) 1.868 15.020 ( -0.425 0.000 -1.590) 1.646 15.819 ( -4.055 0.000 -12.210) 12.866 15.853 ( -0.130 0.000 4.945) 4.947 15.991 ( -0.450 0.000 3.075) 3.108 16.243 ( 3.600 0.000 7.578) 8.389 16.435 ( -1.304 0.000 9.809) 9.895 16.489 ( -0.901 0.000 -4.171) 4.268 ======================= Grid point 70 (28/72) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -11.654 0.000 6.066) 13.139 0.299 ( -11.764 0.000 9.087) 14.865 0.714 ( -29.232 0.000 17.359) 33.998 0.922 ( -0.204 0.000 -5.514) 5.518 0.974 ( -2.746 0.000 0.463) 2.785 1.174 ( -10.900 0.000 -1.243) 10.971 1.189 ( -1.162 0.000 -1.794) 2.138 1.313 ( -6.929 0.000 -3.675) 7.843 1.398 ( 3.013 0.000 -1.954) 3.592 1.491 ( -0.597 0.000 -3.689) 3.737 1.584 ( 0.769 0.000 0.687) 1.031 1.616 ( -2.176 0.000 3.127) 3.810 1.700 ( 0.213 0.000 2.750) 2.758 1.740 ( 3.440 0.000 -0.970) 3.574 1.864 ( 1.115 0.000 2.550) 2.784 1.865 ( 2.146 0.000 0.815) 2.296 1.899 ( 2.892 0.000 1.753) 3.382 1.918 ( -1.356 0.000 -4.671) 4.864 2.082 ( -1.660 0.000 -0.879) 1.879 2.100 ( -0.293 0.000 3.385) 3.397 2.134 ( 0.520 0.000 -0.681) 0.857 2.264 ( -1.145 0.000 1.324) 1.750 2.317 ( -0.317 0.000 0.410) 0.518 2.344 ( -4.080 0.000 3.495) 5.372 2.415 ( 5.995 0.000 -4.811) 7.687 2.469 ( 2.683 0.000 -3.380) 4.315 2.563 ( 5.415 0.000 -0.140) 5.417 2.610 ( -4.252 0.000 -5.331) 6.819 2.753 ( 5.680 0.000 2.343) 6.144 2.764 ( 1.999 0.000 1.668) 2.603 2.812 ( -1.615 0.000 -2.245) 2.766 2.836 ( -3.285 0.000 -0.155) 3.289 2.958 ( -0.624 0.000 -5.588) 5.623 2.961 ( 1.173 0.000 -2.966) 3.189 3.134 ( 0.857 0.000 0.070) 0.860 3.214 ( -3.676 0.000 4.634) 5.915 3.253 ( 3.843 0.000 2.271) 4.464 3.339 ( 1.774 0.000 -2.241) 2.858 3.362 ( 0.569 0.000 2.280) 2.350 3.418 ( -1.105 0.000 4.045) 4.193 3.531 ( -9.048 0.000 -13.901) 16.587 3.593 ( 4.643 0.000 3.365) 5.734 3.643 ( 1.955 0.000 -0.490) 2.015 3.727 ( -4.059 0.000 -3.430) 5.314 3.762 ( 0.606 0.000 -0.622) 0.868 3.999 ( -2.064 0.000 2.626) 3.341 4.053 ( -0.146 0.000 -1.801) 1.807 4.088 ( 12.514 0.000 15.999) 20.312 4.564 ( -0.995 0.000 3.850) 3.977 4.855 ( 5.490 0.000 -3.023) 6.268 4.903 ( -1.088 0.000 -12.984) 13.029 5.118 ( -0.434 0.000 -0.784) 0.897 5.119 ( -1.455 0.000 3.262) 3.572 5.219 ( -2.586 0.000 -0.774) 2.699 5.335 ( -9.756 0.000 5.088) 11.003 5.492 ( -0.240 0.000 -11.580) 11.582 5.727 ( -2.824 0.000 2.357) 3.679 5.848 ( 1.249 0.000 -0.771) 1.467 6.101 ( 2.687 0.000 -1.784) 3.226 6.158 ( 2.525 0.000 4.005) 4.735 6.219 ( 1.957 0.000 3.316) 3.850 6.728 ( 3.317 0.000 -0.605) 3.372 6.910 ( 3.294 0.000 5.946) 6.797 7.056 ( 0.145 0.000 4.580) 4.582 7.683 ( 1.252 0.000 -4.220) 4.402 7.920 ( -2.521 0.000 2.168) 3.325 8.027 ( -1.271 0.000 -4.621) 4.793 8.475 ( 1.602 0.000 -0.092) 1.604 11.807 ( -0.208 0.000 0.529) 0.569 11.818 ( -0.791 0.000 0.169) 0.809 12.550 ( 2.176 0.000 1.087) 2.432 12.569 ( 2.442 0.000 -0.238) 2.453 13.340 ( -2.483 0.000 -1.918) 3.138 14.325 ( -1.316 0.000 10.089) 10.175 14.735 ( -1.038 0.000 -0.243) 1.066 14.738 ( -1.225 0.000 0.232) 1.247 15.009 ( 0.140 0.000 0.040) 0.145 15.072 ( 4.877 0.000 -0.641) 4.919 15.648 ( -1.515 0.000 -9.414) 9.535 15.881 ( -0.053 0.000 -0.584) 0.586 16.015 ( -0.520 0.000 2.691) 2.741 16.308 ( -0.065 0.000 -0.607) 0.610 16.447 ( 0.183 0.000 -2.698) 2.704 16.583 ( 3.003 0.000 6.286) 6.966 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -9.865 8.472 10.917) 16.978 0.492 ( -4.696 10.524 13.083) 17.435 0.776 ( -0.535 0.806 -5.400) 5.486 0.913 ( 7.561 17.337 18.640) 26.556 0.971 ( 5.815 1.563 -5.757) 8.330 1.184 ( -1.380 10.006 0.092) 10.101 1.252 ( -0.795 3.158 -1.494) 3.583 1.306 ( 3.282 3.574 1.334) 5.032 1.468 ( -3.152 5.107 -3.614) 7.005 1.509 ( 4.900 1.211 0.358) 5.060 1.564 ( -2.920 0.015 0.008) 2.920 1.646 ( -2.373 5.422 -1.393) 6.081 1.723 ( 1.588 3.423 0.457) 3.801 1.787 ( -0.703 0.640 -6.023) 6.097 1.844 ( -0.097 -0.385 -0.264) 0.476 1.927 ( -1.237 1.695 4.819) 5.256 1.946 ( 0.069 0.279 2.136) 2.155 1.980 ( 0.414 3.388 2.545) 4.258 2.049 ( -1.868 4.639 -2.494) 5.588 2.115 ( -2.701 -0.916 1.537) 3.240 2.200 ( 2.556 -0.087 5.121) 5.724 2.207 ( 3.044 -1.572 -2.246) 4.096 2.270 ( -2.081 0.263 0.479) 2.152 2.317 ( 1.466 0.148 0.653) 1.611 2.363 ( -0.231 1.363 0.065) 1.384 2.471 ( -1.845 4.155 -5.639) 7.244 2.477 ( 1.538 -3.426 -3.998) 5.485 2.604 ( -6.531 -2.033 -6.586) 9.495 2.657 ( 2.585 -1.024 1.374) 3.101 2.804 ( -1.898 3.450 -1.904) 4.374 2.818 ( 1.665 -0.222 -1.200) 2.065 2.888 ( -1.511 2.805 -2.802) 4.243 2.934 ( -2.581 -1.553 -3.492) 4.612 3.041 ( 4.860 -1.082 4.115) 6.460 3.101 ( 0.659 4.678 -8.892) 10.069 3.161 ( -0.565 -2.521 2.688) 3.728 3.232 ( -2.308 -0.343 -3.304) 4.045 3.252 ( -2.889 -3.047 -1.719) 4.538 3.363 ( 4.556 -1.932 1.791) 5.263 3.372 ( -1.575 -2.277 1.781) 3.292 3.499 ( -1.683 1.446 6.974) 7.318 3.623 ( 2.445 -3.145 -0.338) 3.998 3.696 ( -2.397 -2.898 -1.484) 4.043 3.707 ( 3.898 -1.820 1.187) 4.462 3.766 ( 2.744 0.041 3.837) 4.717 3.929 ( -3.742 -5.722 -1.838) 7.080 3.954 ( -1.345 -0.988 1.331) 2.134 4.046 ( -1.413 -1.559 -0.147) 2.109 4.590 ( -1.088 -1.708 4.832) 5.239 4.732 ( 1.064 -5.535 -0.979) 5.720 4.975 ( 3.239 -0.516 -0.721) 3.358 5.036 ( -1.164 -4.940 2.546) 5.678 5.087 ( -2.030 -1.045 -4.035) 4.637 5.190 ( 0.504 2.649 -3.220) 4.200 5.349 ( -4.437 5.846 4.220) 8.466 5.498 ( 5.549 -1.524 -2.719) 6.364 5.765 ( 0.165 1.103 6.162) 6.263 5.919 ( 0.427 3.689 -0.494) 3.747 6.097 ( 0.130 -2.239 -1.354) 2.620 6.190 ( -1.168 5.572 -5.919) 8.213 6.594 ( 5.023 -10.353 5.660) 12.824 6.729 ( 1.339 -2.820 3.279) 4.527 7.056 ( -1.339 4.698 2.150) 5.337 7.273 ( 14.131 5.376 -9.148) 17.671 7.720 ( -4.905 -2.451 1.230) 5.620 7.777 ( -2.047 -5.712 -0.889) 6.132 7.935 ( -4.788 -0.252 8.077) 9.393 8.195 ( -3.869 4.706 -7.236) 9.459 11.773 ( 0.319 -2.171 -0.068) 2.196 11.786 ( -1.350 -0.837 -0.765) 1.763 12.717 ( -0.359 13.277 1.497) 13.366 12.926 ( -3.702 18.467 -14.925) 24.031 13.964 ( 25.266 -13.067 8.657) 29.733 14.148 ( 4.780 -8.999 -4.311) 11.064 14.760 ( 3.419 2.210 0.667) 4.126 14.775 ( -1.327 3.346 -0.192) 3.605 15.028 ( 0.031 0.291 1.532) 1.560 15.107 ( -0.629 0.050 -1.693) 1.807 15.416 ( -30.421 -11.778 12.762) 35.030 15.625 ( 9.181 -4.713 -1.904) 10.495 15.953 ( 1.363 -1.787 4.718) 5.226 16.132 ( -4.803 -2.956 -3.542) 6.660 16.354 ( -3.884 -0.095 3.237) 5.057 16.446 ( 4.674 -1.681 -0.193) 4.971 ======================= Grid point 72 (30/72) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 8.970 2.553 9.337) 13.197 0.650 ( 6.943 6.987 12.348) 15.795 0.776 ( 6.479 5.261 -5.851) 10.193 1.057 ( 8.576 2.666 -10.342) 13.697 1.154 ( 1.830 5.107 1.589) 5.653 1.261 ( 8.245 8.206 2.759) 11.956 1.289 ( 1.416 4.680 4.229) 6.465 1.337 ( 1.035 0.032 -0.836) 1.331 1.439 ( 2.375 8.754 1.005) 9.126 1.533 ( 2.275 2.627 3.394) 4.858 1.560 ( -0.452 6.954 -6.079) 9.247 1.613 ( 3.525 0.395 2.186) 4.167 1.735 ( -0.025 3.373 -0.470) 3.405 1.787 ( 3.634 3.425 -4.146) 6.491 1.847 ( -1.145 4.820 1.022) 5.058 1.904 ( 0.755 -1.026 1.958) 2.336 1.946 ( -0.937 1.738 -0.364) 2.008 1.982 ( -2.507 0.775 3.074) 4.042 2.055 ( 1.549 2.978 3.046) 4.532 2.134 ( -0.457 1.957 2.919) 3.543 2.151 ( -5.180 1.158 -3.626) 6.428 2.201 ( 0.397 1.531 -2.040) 2.581 2.221 ( -1.013 1.131 -5.455) 5.663 2.342 ( -2.118 0.183 -1.034) 2.364 2.411 ( -1.332 0.694 -0.893) 1.748 2.473 ( 2.890 -0.542 1.379) 3.248 2.489 ( 4.019 -2.873 0.249) 4.947 2.505 ( 5.271 -1.669 2.326) 5.998 2.685 ( -1.336 -2.480 1.292) 3.099 2.733 ( -4.349 1.708 -3.525) 5.853 2.792 ( -5.332 4.122 2.066) 7.049 2.839 ( -0.309 -1.033 -3.539) 3.700 2.853 ( -2.517 1.380 0.289) 2.885 3.016 ( -0.464 5.579 -5.586) 7.908 3.133 ( -0.464 -1.514 -1.063) 1.907 3.175 ( 1.674 -3.497 2.027) 4.375 3.202 ( 1.501 -4.083 0.515) 4.380 3.256 ( 0.939 1.817 1.982) 2.848 3.339 ( 0.562 -4.072 -1.424) 4.350 3.462 ( 3.477 -2.759 -0.472) 4.463 3.542 ( -0.708 -1.587 4.893) 5.193 3.650 ( 0.205 -4.680 -0.964) 4.782 3.663 ( -1.344 -1.543 0.200) 2.056 3.722 ( -0.440 -3.174 -0.974) 3.350 3.790 ( -5.368 -2.596 -3.041) 6.694 3.884 ( 1.508 -1.934 4.358) 5.001 3.977 ( 0.041 0.137 2.857) 2.860 4.016 ( 0.163 0.588 -0.859) 1.054 4.625 ( -0.555 -3.446 4.733) 5.881 4.726 ( -0.887 -3.867 -3.540) 5.317 4.983 ( -3.312 -3.349 1.419) 4.919 5.019 ( 0.400 0.113 -1.290) 1.355 5.055 ( 1.716 -0.669 -1.656) 2.477 5.206 ( 3.491 -4.456 -1.167) 5.780 5.323 ( -1.449 6.399 1.969) 6.850 5.579 ( 5.312 -1.535 -1.933) 5.857 5.816 ( -0.521 3.024 4.643) 5.565 5.897 ( -0.914 3.207 -2.595) 4.226 6.054 ( -3.226 -1.529 -0.779) 3.654 6.150 ( 0.702 2.724 -2.368) 3.677 6.587 ( -8.327 -4.150 -1.050) 9.362 6.708 ( -3.421 -6.935 -1.121) 7.814 7.002 ( -3.543 5.842 1.618) 7.022 7.310 ( -3.418 -0.358 -5.243) 6.269 7.637 ( -2.822 0.689 3.012) 4.185 7.805 ( 2.668 -5.939 -0.010) 6.511 7.931 ( 1.779 5.148 1.734) 5.716 8.239 ( 7.190 2.234 1.302) 7.641 11.769 ( 0.156 -2.433 0.078) 2.439 11.791 ( 1.101 -1.726 0.545) 2.119 12.699 ( -3.627 13.001 1.959) 13.639 12.774 ( -4.271 14.914 -4.037) 16.031 13.815 ( -13.562 -5.966 -10.312) 18.051 14.352 ( -0.077 -20.373 1.378) 20.420 14.762 ( 0.458 2.299 -0.598) 2.420 14.876 ( 2.280 2.782 0.853) 3.696 15.016 ( -0.060 0.430 0.216) 0.485 15.072 ( 1.140 1.941 -3.335) 4.023 15.237 ( -0.814 -1.324 7.660) 7.816 15.821 ( 9.479 -5.530 0.775) 11.002 16.016 ( -0.217 -3.383 3.754) 5.058 16.059 ( 0.573 -3.323 0.768) 3.459 16.324 ( -2.019 -0.215 1.580) 2.573 16.531 ( 4.603 -0.786 -0.588) 4.706 ======================= Grid point 73 (31/72) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 12.109 3.907 1.394) 12.800 0.885 ( 9.114 8.550 -0.571) 12.510 0.916 ( 10.483 4.761 6.233) 13.092 0.986 ( -0.895 2.728 -10.696) 11.074 1.144 ( 0.993 3.251 -4.014) 5.260 1.220 ( -3.137 4.169 -1.286) 5.374 1.421 ( 5.819 3.178 2.113) 6.959 1.455 ( 4.616 3.107 3.789) 6.732 1.539 ( 1.385 9.007 0.400) 9.121 1.550 ( 8.596 4.677 -3.515) 10.398 1.642 ( -2.003 4.064 2.496) 5.173 1.658 ( 1.497 1.940 3.336) 4.140 1.742 ( 1.814 4.024 0.784) 4.483 1.797 ( -0.953 6.058 -1.910) 6.423 1.811 ( -1.030 4.647 -0.479) 4.784 1.916 ( -1.295 2.602 -1.292) 3.181 1.941 ( -0.831 -1.637 -2.003) 2.717 1.987 ( -0.019 0.746 -4.481) 4.543 2.032 ( -1.774 1.071 1.890) 2.804 2.076 ( 0.309 1.500 -3.846) 4.140 2.163 ( 4.822 -0.346 3.937) 6.234 2.184 ( 1.620 0.753 -4.138) 4.507 2.249 ( 2.834 -1.290 3.157) 4.434 2.309 ( -0.269 -1.683 0.968) 1.960 2.436 ( 2.666 4.009 5.011) 6.949 2.517 ( 4.000 -0.575 -3.369) 5.261 2.533 ( -2.625 0.081 0.063) 2.627 2.574 ( -0.545 0.613 -0.827) 1.164 2.668 ( -2.593 -0.902 3.727) 4.629 2.731 ( -1.723 2.490 2.392) 3.859 2.738 ( 3.985 -3.300 5.292) 7.401 2.789 ( -0.307 0.812 -2.539) 2.683 2.841 ( -2.234 2.277 3.629) 4.832 2.951 ( -1.437 3.376 -3.838) 5.310 3.119 ( 0.159 -0.713 -1.233) 1.433 3.182 ( -0.153 -4.082 1.336) 4.298 3.253 ( 1.088 -3.404 2.066) 4.128 3.286 ( 0.728 -1.505 -0.389) 1.717 3.370 ( -2.185 -4.449 -1.052) 5.067 3.427 ( -0.987 -2.557 -3.110) 4.145 3.535 ( -3.129 -1.645 -0.089) 3.536 3.595 ( -2.869 -2.970 -1.417) 4.366 3.651 ( -2.334 -2.176 0.049) 3.192 3.707 ( 0.557 -2.682 1.030) 2.927 3.727 ( 0.893 -0.923 -0.929) 1.585 3.904 ( -3.673 -2.536 2.729) 5.231 3.987 ( 0.049 -1.255 1.144) 1.698 4.044 ( 1.917 -1.576 0.207) 2.490 4.629 ( -4.254 -1.377 -4.388) 6.264 4.653 ( -1.045 -3.887 3.129) 5.098 4.919 ( -1.996 -0.659 -4.112) 4.618 5.029 ( 0.873 -0.798 3.082) 3.301 5.120 ( 4.595 -3.705 -0.227) 5.907 5.232 ( -1.086 -4.846 1.961) 5.340 5.369 ( 5.793 1.971 -0.573) 6.146 5.646 ( 3.660 -1.371 -1.300) 4.119 5.831 ( -1.969 4.340 3.189) 5.735 5.862 ( 0.859 3.731 -3.246) 5.019 5.984 ( -3.418 -0.215 -0.597) 3.477 6.156 ( 0.263 1.893 1.698) 2.556 6.383 ( -8.334 2.476 -5.927) 10.522 6.594 ( -6.106 -4.121 -2.198) 7.688 6.971 ( -4.046 2.874 1.802) 5.280 7.200 ( -2.382 0.944 -2.604) 3.653 7.606 ( -3.933 4.128 2.395) 6.184 7.870 ( 3.780 -5.419 1.143) 6.705 8.006 ( 5.068 0.237 -0.818) 5.139 8.363 ( 2.735 -0.484 3.440) 4.421 11.786 ( 1.163 -3.245 0.310) 3.461 11.814 ( 0.706 -1.518 0.495) 1.746 12.635 ( -5.170 11.405 1.859) 12.659 12.673 ( -4.741 12.184 -1.054) 13.117 13.505 ( -6.849 -1.242 -11.301) 13.272 14.295 ( -6.247 -16.729 2.480) 18.029 14.776 ( 1.483 1.865 -0.358) 2.410 14.867 ( -1.790 4.627 1.469) 5.174 15.019 ( -0.135 1.041 0.063) 1.052 15.102 ( 5.369 2.316 -5.851) 8.272 15.350 ( 4.308 -2.391 5.402) 7.311 15.891 ( 0.437 0.026 -1.065) 1.151 16.043 ( 1.881 -5.828 -0.638) 6.157 16.139 ( 1.707 -6.479 5.435) 8.628 16.320 ( 0.102 -0.736 1.872) 2.014 16.587 ( 2.140 -1.835 -0.733) 2.913 ======================= Grid point 74 (32/72) ======================= q-point: ( 0.38 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 2.621 3.670 -10.443) 11.375 0.922 ( 5.179 3.629 -1.645) 6.534 1.066 ( 8.391 10.669 -1.608) 13.669 1.128 ( 3.243 2.721 5.655) 7.064 1.211 ( 4.555 5.547 2.104) 7.479 1.252 ( 8.452 3.690 6.253) 11.142 1.432 ( -3.397 8.492 -2.684) 9.532 1.518 ( -2.758 4.133 4.275) 6.555 1.545 ( -3.674 6.548 3.389) 8.238 1.591 ( -2.570 4.478 0.788) 5.223 1.635 ( 0.019 3.901 -2.383) 4.572 1.668 ( -3.815 3.544 3.044) 6.032 1.739 ( 0.984 1.357 -3.372) 3.766 1.760 ( -0.083 2.316 0.307) 2.338 1.826 ( 2.313 2.387 -0.551) 3.370 1.893 ( 5.009 0.666 -1.889) 5.394 1.919 ( 2.810 1.947 -0.470) 3.451 2.015 ( 1.819 1.914 -0.401) 2.670 2.036 ( -0.949 0.491 2.131) 2.384 2.079 ( 3.851 -0.026 -2.742) 4.727 2.172 ( 0.413 0.178 -2.805) 2.841 2.251 ( -1.937 -0.713 0.444) 2.111 2.276 ( 2.882 -1.554 -1.594) 3.642 2.352 ( 0.891 -1.254 2.607) 3.027 2.497 ( 2.407 0.189 -2.199) 3.266 2.517 ( 0.882 0.864 -0.064) 1.237 2.543 ( -4.180 2.424 0.560) 4.864 2.574 ( 1.991 2.473 0.063) 3.175 2.672 ( 0.424 0.013 0.718) 0.834 2.713 ( 2.125 1.561 -0.213) 2.645 2.780 ( 1.353 0.711 -1.684) 2.274 2.829 ( -1.323 0.778 3.932) 4.221 2.881 ( 3.233 0.784 4.687) 5.747 2.930 ( -2.387 0.445 -1.519) 2.864 3.097 ( 1.223 -3.202 1.946) 3.942 3.137 ( -8.567 -1.692 -10.557) 13.700 3.230 ( 2.256 -3.079 1.538) 4.115 3.275 ( -1.351 -3.474 1.181) 3.910 3.295 ( -0.916 -2.512 0.580) 2.736 3.427 ( -1.497 -1.588 2.427) 3.264 3.509 ( -1.173 -0.239 1.875) 2.225 3.565 ( 0.592 -5.030 -0.621) 5.102 3.622 ( -0.926 -2.570 -1.441) 3.088 3.655 ( -2.869 -2.274 -0.038) 3.662 3.795 ( 0.336 -1.799 2.123) 2.803 3.823 ( -3.082 -0.998 -1.299) 3.490 4.010 ( 0.732 -2.424 0.783) 2.651 4.065 ( 0.757 -2.095 -0.804) 2.368 4.523 ( -2.822 -0.198 -1.491) 3.198 4.658 ( -1.546 -4.472 1.861) 5.085 4.875 ( 0.856 -0.449 -2.063) 2.278 5.063 ( -0.121 -2.256 0.604) 2.338 5.187 ( 2.729 -4.523 -0.068) 5.283 5.234 ( 0.219 -8.083 0.906) 8.137 5.479 ( 6.073 -1.143 0.184) 6.183 5.660 ( -1.031 -1.779 -1.020) 2.295 5.803 ( -3.643 4.121 1.986) 5.848 5.866 ( 2.241 7.084 -3.627) 8.268 5.963 ( 1.804 2.182 0.448) 2.867 6.185 ( -3.365 4.383 3.934) 6.783 6.224 ( -1.887 1.041 -1.908) 2.879 6.502 ( -2.249 -3.535 0.213) 4.195 6.877 ( -4.860 1.627 -2.625) 5.758 7.157 ( -0.056 4.349 -5.503) 7.014 7.571 ( -2.986 4.010 4.986) 7.061 7.946 ( 2.018 -6.412 2.674) 7.234 8.077 ( 4.163 -1.282 -1.452) 4.592 8.389 ( -1.320 -0.238 0.280) 1.370 11.805 ( 0.821 -2.836 -0.312) 2.968 11.822 ( 0.133 -1.891 -0.279) 1.916 12.566 ( -3.845 9.759 1.106) 10.547 12.590 ( -3.215 9.668 -0.628) 10.207 13.407 ( 1.539 -0.267 0.022) 1.562 14.192 ( -5.112 -12.912 -3.211) 14.253 14.798 ( 1.145 1.666 -0.285) 2.042 14.852 ( -0.664 3.855 -0.375) 3.930 15.023 ( 0.163 2.134 0.499) 2.198 15.121 ( 3.253 2.362 -6.233) 7.416 15.483 ( 2.556 -2.915 9.865) 10.599 15.884 ( -0.021 0.747 -0.047) 0.748 16.053 ( 0.530 -2.451 -1.596) 2.972 16.172 ( -0.690 -9.663 -0.307) 9.693 16.358 ( 0.566 -0.288 3.330) 3.390 16.589 ( 0.147 -1.967 -2.390) 3.099 ======================= Grid point 75 (33/72) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 5.993 2.580 -1.383) 6.670 0.983 ( 2.181 2.499 0.372) 3.338 1.133 ( -4.141 1.812 -2.067) 4.970 1.168 ( 3.639 7.397 1.013) 8.306 1.269 ( -6.089 5.629 -3.482) 8.994 1.325 ( 1.864 5.501 -1.852) 6.097 1.463 ( 2.363 7.698 2.317) 8.379 1.468 ( -4.355 3.465 5.937) 8.137 1.509 ( -1.183 4.478 4.317) 6.332 1.572 ( -0.026 7.826 3.085) 8.412 1.627 ( 1.901 8.273 1.713) 8.660 1.645 ( -1.490 4.394 2.422) 5.234 1.711 ( -2.852 1.993 3.173) 4.709 1.820 ( 3.380 -0.144 -2.196) 4.034 1.871 ( 2.140 0.405 2.507) 3.321 1.960 ( 0.286 0.789 1.423) 1.652 1.973 ( 2.233 2.290 0.063) 3.199 2.029 ( 0.920 4.299 -1.398) 4.614 2.047 ( -1.027 0.256 2.170) 2.415 2.131 ( 2.556 0.121 -1.880) 3.175 2.141 ( 0.863 0.290 -4.820) 4.905 2.235 ( -0.594 -2.074 0.885) 2.332 2.267 ( -0.031 0.231 -0.726) 0.762 2.382 ( 1.713 0.108 1.301) 2.154 2.461 ( -4.967 -0.059 0.097) 4.968 2.487 ( -0.754 1.325 -1.244) 1.968 2.540 ( -1.984 -0.257 0.489) 2.060 2.574 ( 2.614 3.197 -4.018) 5.762 2.643 ( -4.050 0.452 -5.999) 7.252 2.711 ( -3.780 1.254 -1.690) 4.326 2.722 ( 1.843 0.938 -4.451) 4.908 2.788 ( -2.388 1.925 -4.118) 5.135 2.871 ( -0.659 -0.973 -0.030) 1.176 2.937 ( -0.380 -1.509 -4.260) 4.536 3.082 ( 5.373 -1.708 9.048) 10.661 3.198 ( -0.038 -2.842 0.834) 2.962 3.228 ( 2.974 -2.152 0.665) 3.731 3.280 ( 1.696 -4.294 0.228) 4.622 3.328 ( 1.226 -4.051 4.276) 6.016 3.431 ( -4.152 -1.476 4.544) 6.330 3.494 ( -0.259 0.870 2.187) 2.368 3.549 ( -0.889 -4.136 -3.702) 5.622 3.602 ( -1.525 -4.508 -1.556) 5.007 3.606 ( -0.503 -0.445 -2.051) 2.158 3.770 ( 2.152 -1.556 1.237) 2.930 3.838 ( -0.835 -1.462 -0.076) 1.685 4.005 ( -0.675 -2.150 -0.137) 2.257 4.064 ( 0.063 -2.001 -1.251) 2.360 4.540 ( 3.620 -0.244 3.167) 4.816 4.629 ( -2.158 -3.581 -0.742) 4.246 4.906 ( 2.444 -1.035 1.457) 3.028 5.022 ( -2.601 -1.079 -3.397) 4.412 5.202 ( -1.500 -5.854 1.150) 6.152 5.259 ( 1.875 -11.391 -0.530) 11.557 5.564 ( 0.046 -2.571 0.898) 2.724 5.619 ( 1.047 -0.229 -1.591) 1.918 5.762 ( -2.626 3.762 1.334) 4.778 5.869 ( 2.120 6.760 -3.555) 7.926 6.004 ( -0.385 4.008 1.595) 4.331 6.092 ( -1.766 3.338 -1.944) 4.248 6.309 ( 2.868 -1.019 7.738) 8.315 6.519 ( 1.577 -4.194 2.382) 5.075 6.796 ( 0.165 4.154 -2.970) 5.109 7.060 ( -1.738 8.202 -11.021) 13.848 7.612 ( -0.200 1.015 9.002) 9.061 7.954 ( -0.993 -7.619 -3.488) 8.439 8.143 ( 1.984 0.699 4.038) 4.553 8.344 ( -1.796 0.142 -2.941) 3.449 11.809 ( 0.110 -2.462 -0.616) 2.540 11.815 ( -0.338 -2.111 -0.648) 2.234 12.532 ( -0.588 8.606 0.584) 8.646 12.559 ( 0.478 8.747 -0.418) 8.770 13.527 ( 5.348 -1.751 10.392) 11.818 14.047 ( -3.825 -9.483 -10.727) 14.820 14.809 ( 0.274 1.599 -0.138) 1.628 14.834 ( -0.569 2.817 -1.179) 3.106 15.027 ( -0.391 2.372 0.584) 2.474 15.107 ( 1.260 2.729 -4.704) 5.582 15.626 ( 0.958 -3.654 13.019) 13.556 15.894 ( 0.744 0.630 0.600) 1.145 16.042 ( 0.399 -2.401 -1.972) 3.133 16.114 ( -2.755 -9.024 -5.202) 10.774 16.385 ( -1.401 -0.094 3.954) 4.196 16.567 ( 0.782 -1.440 -3.536) 3.897 ======================= Grid point 76 (34/72) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -10.281 2.400 -7.368) 12.874 1.009 ( 2.358 1.341 0.835) 2.838 1.035 ( -11.627 6.900 -1.418) 13.594 1.140 ( 0.614 8.398 3.888) 9.275 1.267 ( 1.455 -0.837 -3.088) 3.515 1.308 ( 1.768 1.744 3.153) 4.014 1.406 ( -3.477 -0.288 1.837) 3.943 1.480 ( -0.820 7.849 -0.027) 7.891 1.569 ( 1.020 8.612 2.787) 9.109 1.588 ( -2.734 6.317 0.327) 6.891 1.638 ( -4.246 6.718 2.124) 8.226 1.685 ( -0.887 5.341 0.665) 5.455 1.715 ( -1.246 4.271 7.489) 8.711 1.784 ( -7.819 4.598 -2.912) 9.527 1.859 ( -1.725 2.195 -3.189) 4.238 1.926 ( -2.782 0.373 -2.175) 3.551 1.990 ( -1.041 0.937 -4.079) 4.312 2.007 ( -0.508 3.315 -0.840) 3.457 2.031 ( 1.783 2.614 3.876) 5.004 2.162 ( 3.467 0.082 -2.620) 4.346 2.164 ( 4.043 -0.949 -2.477) 4.836 2.173 ( -0.666 0.544 -3.840) 3.936 2.330 ( -5.292 -1.142 1.320) 5.572 2.345 ( -0.888 -2.984 5.688) 6.484 2.421 ( 0.055 -1.063 2.343) 2.573 2.481 ( 1.290 1.910 -0.399) 2.339 2.488 ( -1.047 1.198 -0.983) 1.871 2.561 ( -3.413 0.821 -3.704) 5.103 2.625 ( 0.175 0.636 -1.097) 1.280 2.659 ( 8.396 1.509 1.511) 8.664 2.726 ( -1.415 2.209 3.423) 4.312 2.739 ( -1.000 0.231 0.103) 1.032 2.864 ( 4.262 -1.086 -2.511) 5.065 2.972 ( 2.164 0.492 0.993) 2.432 3.171 ( 0.363 -2.407 -1.698) 2.967 3.199 ( 1.551 -1.952 1.395) 2.857 3.227 ( -3.102 -4.806 -1.155) 5.836 3.300 ( -2.217 -5.639 1.831) 6.329 3.356 ( -1.879 0.230 -1.981) 2.741 3.469 ( 5.699 -3.494 4.466) 8.039 3.475 ( -1.824 -4.148 -1.345) 4.727 3.561 ( 1.522 -0.339 -2.626) 3.054 3.587 ( 0.782 -3.514 -2.041) 4.139 3.614 ( 4.624 0.696 5.435) 7.170 3.769 ( -2.908 -1.329 -2.535) 4.080 3.851 ( 2.337 -1.731 1.459) 3.254 4.009 ( -0.512 -1.869 1.639) 2.539 4.037 ( -0.969 -1.465 -1.849) 2.550 4.579 ( -1.354 -1.754 -2.409) 3.273 4.666 ( 5.890 -2.382 2.979) 7.017 4.903 ( -3.601 -1.375 -3.483) 5.195 5.003 ( 3.464 -0.530 2.089) 4.080 5.164 ( -3.251 -6.106 0.019) 6.918 5.281 ( 0.524 -9.134 0.836) 9.187 5.490 ( -5.836 0.097 0.166) 5.839 5.675 ( 3.159 -3.966 -1.041) 5.176 5.729 ( -1.973 6.148 0.287) 6.464 5.878 ( 1.952 3.193 -1.852) 4.176 5.975 ( -1.436 2.468 0.693) 2.938 6.120 ( 3.397 4.590 0.478) 5.730 6.418 ( 2.161 -5.244 4.130) 7.017 6.574 ( 4.148 -4.904 -2.059) 6.745 6.837 ( 3.057 8.635 1.570) 9.294 6.930 ( 1.105 10.218 -9.537) 14.021 7.716 ( 0.858 -2.762 10.520) 10.910 7.870 ( -1.853 -3.870 -7.011) 8.220 8.182 ( -3.936 -1.566 3.132) 5.268 8.299 ( 0.975 1.617 -1.066) 2.169 11.792 ( -0.992 -2.618 -0.377) 2.825 11.808 ( -0.223 -1.920 -0.235) 1.947 12.557 ( 2.576 8.936 0.716) 9.328 12.601 ( 4.592 10.462 -0.316) 11.430 13.761 ( 6.686 -5.135 14.032) 16.370 13.854 ( -2.421 -6.338 -17.293) 18.576 14.807 ( -0.714 1.957 0.113) 2.087 14.811 ( -0.583 2.110 -0.892) 2.364 15.020 ( -0.852 1.860 0.421) 2.088 15.081 ( 0.048 3.008 -2.902) 4.180 15.749 ( -1.385 -4.237 12.700) 13.459 15.907 ( 0.708 -1.397 -3.753) 4.066 15.991 ( -3.988 -5.820 -3.510) 7.881 16.044 ( 0.768 -4.932 -0.239) 4.998 16.387 ( -2.684 -0.858 4.197) 5.055 16.550 ( 1.076 -0.371 -3.520) 3.700 ======================= Grid point 77 (35/72) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -10.922 7.168 -3.057) 13.417 0.797 ( -14.120 10.734 0.950) 17.762 0.965 ( -5.469 -0.781 -1.984) 5.870 1.114 ( -3.227 7.023 -0.785) 7.769 1.231 ( -19.674 8.938 -0.086) 21.609 1.299 ( -3.679 0.811 -1.467) 4.043 1.331 ( 0.824 0.516 -2.965) 3.120 1.457 ( -2.838 5.508 0.567) 6.222 1.529 ( -1.115 6.122 -3.024) 6.918 1.551 ( -0.050 3.226 3.045) 4.437 1.593 ( -3.909 2.682 5.316) 7.123 1.627 ( -1.679 3.548 1.251) 4.120 1.689 ( -3.775 4.919 1.980) 6.510 1.770 ( 4.288 7.878 -1.457) 9.087 1.832 ( 1.277 2.630 -1.949) 3.514 1.868 ( -0.929 1.100 -0.337) 1.479 1.921 ( -0.517 1.269 -3.688) 3.934 1.981 ( -2.289 1.097 -2.210) 3.365 2.085 ( -0.093 1.281 3.185) 3.434 2.120 ( -2.811 0.276 1.231) 3.081 2.154 ( 0.375 -2.026 -4.646) 5.082 2.245 ( -0.071 -2.384 1.924) 3.064 2.267 ( 0.695 -0.452 -2.408) 2.547 2.363 ( -0.897 -2.230 0.114) 2.407 2.412 ( 0.571 3.695 0.473) 3.769 2.472 ( 1.511 -1.452 -3.530) 4.105 2.516 ( -0.704 3.575 2.775) 4.580 2.560 ( 0.756 -1.056 4.346) 4.536 2.676 ( 4.698 -0.240 3.573) 5.907 2.698 ( 0.381 1.713 1.141) 2.093 2.765 ( 1.793 -0.992 3.091) 3.709 2.861 ( 3.931 -0.718 2.809) 4.885 2.951 ( 4.597 0.796 1.488) 4.897 3.042 ( 4.947 2.838 1.103) 5.808 3.091 ( -2.911 -2.418 -6.557) 7.571 3.175 ( 0.698 -2.226 -1.029) 2.550 3.219 ( -1.834 -2.087 2.686) 3.865 3.281 ( -0.991 -4.840 0.601) 4.977 3.313 ( 0.295 -1.464 -3.790) 4.073 3.440 ( -2.071 -2.724 1.732) 3.835 3.527 ( -0.661 -1.845 -4.644) 5.040 3.582 ( 1.911 -3.028 1.062) 3.735 3.611 ( 2.814 -2.958 -1.211) 4.259 3.712 ( 1.126 -1.080 -1.236) 1.991 3.771 ( 2.848 -0.473 5.902) 6.570 3.859 ( -0.361 -0.246 -0.284) 0.521 3.994 ( -2.139 -2.352 1.681) 3.596 4.030 ( 0.593 -1.708 -0.130) 1.812 4.548 ( -0.282 -1.158 -0.764) 1.416 4.769 ( 3.457 -6.321 0.047) 7.204 4.828 ( -0.045 -0.697 -2.815) 2.900 5.082 ( 2.126 -1.477 1.024) 2.783 5.100 ( -3.026 -4.398 0.458) 5.358 5.300 ( 0.416 -3.196 1.693) 3.640 5.382 ( -6.144 -0.147 -0.299) 6.153 5.684 ( -2.870 3.791 3.000) 5.622 5.694 ( -0.397 -1.409 -4.482) 4.715 5.898 ( 1.154 4.141 -0.825) 4.377 5.994 ( 3.609 -1.445 -0.627) 3.938 6.193 ( 3.467 5.741 2.505) 7.159 6.456 ( 1.659 -5.377 -7.175) 9.118 6.567 ( 1.683 1.917 -5.358) 5.934 6.909 ( 6.908 8.839 -0.165) 11.219 6.986 ( 4.019 4.056 4.321) 7.160 7.782 ( -0.620 1.227 -5.893) 6.051 7.821 ( -0.047 -5.664 8.712) 10.392 8.070 ( -6.597 -4.378 -3.320) 8.585 8.354 ( 1.127 0.828 5.287) 5.468 11.780 ( -0.324 -1.861 0.599) 1.982 11.799 ( -0.719 -2.144 0.229) 2.273 12.625 ( 3.706 10.757 0.793) 11.405 12.730 ( 10.687 15.774 0.925) 19.076 13.605 ( -3.525 -3.056 -22.570) 23.047 14.018 ( 5.872 -9.505 12.468) 16.741 14.781 ( -1.207 1.890 -0.909) 2.420 14.804 ( -0.892 3.020 1.401) 3.447 15.011 ( -0.216 0.774 0.067) 0.806 15.061 ( 0.523 2.889 -1.687) 3.386 15.753 ( -4.223 -5.599 -7.450) 10.231 15.844 ( -2.530 -3.680 6.530) 7.911 15.950 ( -3.313 -4.521 1.188) 5.729 16.089 ( 1.913 -8.305 5.491) 10.138 16.373 ( -2.730 -1.195 3.070) 4.278 16.533 ( -0.352 -0.325 -2.013) 2.069 ======================= Grid point 78 (36/72) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -4.554 12.231 9.817) 16.331 0.578 ( -13.482 12.812 6.871) 19.827 0.827 ( -11.408 10.101 4.072) 15.772 0.893 ( -11.411 6.526 -0.348) 13.150 1.022 ( -4.752 2.428 -3.952) 6.640 1.211 ( -1.372 3.629 0.925) 3.989 1.268 ( -0.697 3.980 -5.487) 6.814 1.382 ( -9.520 6.645 -2.325) 11.841 1.458 ( 1.578 3.876 -0.606) 4.228 1.553 ( -1.184 2.347 -1.769) 3.168 1.573 ( -1.990 2.209 1.950) 3.555 1.667 ( -1.266 4.487 2.024) 5.082 1.691 ( 1.743 1.606 4.191) 4.815 1.820 ( 3.077 5.971 -2.283) 7.094 1.861 ( 1.891 1.308 1.550) 2.773 1.889 ( -2.983 -1.617 -3.539) 4.903 1.909 ( 0.960 2.297 0.626) 2.567 1.933 ( 2.645 3.156 4.010) 5.748 2.086 ( -0.539 1.860 -0.995) 2.177 2.121 ( 0.673 -0.310 2.745) 2.843 2.123 ( 0.372 -1.198 -0.006) 1.255 2.215 ( -2.323 -2.873 -1.677) 4.058 2.277 ( 1.389 -0.095 -0.618) 1.523 2.330 ( -2.842 -2.046 1.786) 3.932 2.423 ( -4.088 -0.362 -0.235) 4.111 2.453 ( 3.359 0.401 -3.392) 4.790 2.576 ( 4.351 0.737 0.918) 4.507 2.584 ( -1.074 0.310 -3.345) 3.527 2.702 ( -1.258 -1.340 0.246) 1.854 2.778 ( 2.410 -0.401 1.551) 2.894 2.852 ( 3.058 1.180 0.990) 3.424 2.890 ( 2.269 2.126 -1.910) 3.649 2.949 ( -0.350 -2.616 -5.421) 6.029 2.989 ( 0.394 2.644 -1.018) 2.861 3.147 ( 0.789 -0.364 -2.119) 2.291 3.174 ( -2.797 -0.965 -0.967) 3.113 3.257 ( 1.277 -0.636 1.365) 1.974 3.289 ( 3.243 -2.927 2.154) 4.871 3.317 ( 2.029 -3.900 1.572) 4.668 3.409 ( -6.343 -5.463 -0.428) 8.382 3.454 ( -1.421 1.349 2.549) 3.215 3.610 ( 1.968 -3.405 -0.481) 3.962 3.633 ( 2.647 0.402 -1.460) 3.050 3.731 ( -0.377 -1.747 -0.026) 1.788 3.756 ( -1.246 0.733 -4.468) 4.696 3.948 ( 0.737 -6.162 6.273) 8.823 3.982 ( -1.051 -3.147 2.115) 3.935 4.029 ( 0.643 -2.459 -0.400) 2.573 4.557 ( 0.168 -1.029 3.228) 3.392 4.770 ( -1.654 -7.502 -3.061) 8.270 4.880 ( 6.435 0.190 0.719) 6.478 5.040 ( -1.853 -4.747 -0.498) 5.121 5.127 ( 1.132 0.505 -0.270) 1.269 5.259 ( -6.282 0.478 -0.721) 6.342 5.341 ( 1.351 1.317 2.553) 3.175 5.553 ( -5.399 3.464 -8.642) 10.763 5.706 ( -0.948 0.303 6.582) 6.657 5.905 ( 0.851 4.483 -0.312) 4.574 6.068 ( 4.443 -2.087 -1.311) 5.081 6.278 ( -0.995 5.511 -0.742) 5.649 6.390 ( 8.586 3.187 -4.827) 10.352 6.623 ( 4.074 1.125 3.097) 5.240 7.011 ( 2.985 4.164 1.397) 5.311 7.121 ( 7.975 3.880 0.779) 8.903 7.739 ( 0.862 3.477 -3.880) 5.280 7.862 ( -3.166 -3.664 3.233) 5.822 7.938 ( -4.315 -7.641 0.486) 8.789 8.375 ( -4.492 -4.668 0.023) 6.478 11.777 ( -0.436 -2.481 -0.190) 2.526 11.802 ( 0.087 -0.701 0.910) 1.152 12.688 ( 2.247 12.444 0.916) 12.679 13.049 ( 25.360 25.560 -12.050) 37.969 13.343 ( -1.955 0.480 -1.174) 2.330 14.168 ( -0.074 -12.535 6.521) 14.130 14.752 ( -1.090 1.631 -0.367) 1.996 14.799 ( -1.618 3.930 1.502) 4.508 15.014 ( 0.193 0.489 0.445) 0.689 15.085 ( 3.419 1.185 -0.991) 3.752 15.604 ( -1.555 -4.136 -8.244) 9.354 15.804 ( -17.793 -19.181 8.432) 27.488 15.895 ( 0.866 0.576 2.099) 2.342 16.184 ( 1.392 -7.538 3.837) 8.572 16.359 ( -1.313 -1.491 2.683) 3.339 16.472 ( -4.960 -2.588 -1.625) 5.826 ======================= Grid point 79 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -8.217 10.140 9.084) 15.902 0.767 ( -2.904 13.433 7.100) 15.469 0.886 ( 3.650 8.572 -4.641) 10.409 1.010 ( 2.177 2.643 -1.794) 3.866 1.186 ( 1.207 3.033 0.928) 3.393 1.240 ( 4.146 0.532 -0.956) 4.288 1.351 ( 2.020 2.369 -3.888) 4.981 1.407 ( -2.942 0.708 -2.898) 4.190 1.526 ( 2.228 4.905 1.871) 5.703 1.577 ( -2.860 1.580 -0.378) 3.289 1.620 ( 1.174 8.690 3.831) 9.569 1.753 ( 0.903 2.035 -0.929) 2.412 1.812 ( -2.486 3.159 0.088) 4.020 1.827 ( -0.436 6.875 1.389) 7.028 1.858 ( -0.180 1.254 2.079) 2.435 1.914 ( 0.194 -0.916 -0.046) 0.937 1.975 ( -1.300 2.144 2.562) 3.585 2.074 ( 0.728 -0.732 2.300) 2.521 2.115 ( -1.930 1.753 2.661) 3.725 2.157 ( 1.103 3.802 0.988) 4.081 2.186 ( 1.261 5.642 0.893) 5.849 2.231 ( 2.424 0.246 -1.607) 2.918 2.315 ( 2.820 3.092 2.199) 4.728 2.357 ( 1.722 6.642 -0.355) 6.870 2.408 ( 0.197 4.756 -1.009) 4.866 2.459 ( -1.548 1.966 -2.262) 3.373 2.540 ( -5.093 -3.762 -5.520) 8.400 2.571 ( -0.435 5.719 -5.088) 7.667 2.673 ( 0.072 1.769 1.129) 2.100 2.792 ( -0.057 -2.787 -0.697) 2.873 2.831 ( 0.543 -1.001 -1.828) 2.153 2.908 ( -2.765 0.497 -4.986) 5.723 2.937 ( -0.917 0.587 3.578) 3.740 2.957 ( 1.080 -3.728 4.379) 5.851 3.070 ( 0.311 -4.762 0.946) 4.865 3.147 ( -2.344 -7.280 -1.847) 7.868 3.163 ( -0.671 -1.816 -4.698) 5.081 3.207 ( 1.916 -2.174 -5.114) 5.877 3.321 ( 4.041 0.048 1.414) 4.282 3.370 ( -0.853 1.244 0.209) 1.523 3.476 ( 0.741 -10.393 2.724) 10.770 3.522 ( -1.654 -1.142 1.924) 2.782 3.625 ( -0.790 -2.827 -0.059) 2.936 3.703 ( -0.840 -0.704 -3.856) 4.008 3.735 ( 3.907 -0.823 1.644) 4.318 3.824 ( -3.077 -3.669 -1.269) 4.954 3.939 ( -1.098 -0.887 3.617) 3.882 3.996 ( 1.620 -3.224 2.156) 4.203 4.547 ( -1.038 -2.160 2.966) 3.813 4.607 ( 0.584 -5.740 0.313) 5.778 4.934 ( 2.891 -2.220 1.833) 4.080 4.961 ( 1.623 -2.578 2.277) 3.803 5.084 ( -5.673 1.132 -5.791) 8.185 5.250 ( -0.331 1.881 -5.663) 5.976 5.404 ( -2.868 0.101 2.840) 4.037 5.472 ( 5.048 -1.264 -1.005) 5.300 5.850 ( 0.577 6.102 5.005) 7.914 5.986 ( -0.326 1.971 -1.067) 2.265 6.061 ( -0.309 0.581 3.267) 3.333 6.336 ( -2.712 4.146 -1.966) 5.330 6.468 ( 6.564 1.002 1.024) 6.719 6.742 ( -6.489 1.844 -2.903) 7.344 7.088 ( 0.924 -0.340 1.693) 1.958 7.298 ( 10.422 -1.848 -7.775) 13.133 7.620 ( -8.036 -6.407 3.049) 10.720 7.633 ( -0.728 -7.242 1.065) 7.356 8.002 ( 0.411 5.322 6.073) 8.085 8.232 ( 0.139 -0.453 -4.190) 4.217 11.743 ( 0.573 -0.598 0.362) 0.903 11.775 ( -1.266 -0.497 -1.022) 1.701 13.015 ( 0.033 13.466 0.551) 13.477 13.186 ( -3.459 7.693 -10.535) 13.496 13.744 ( 5.223 -7.805 8.249) 12.500 13.948 ( 5.603 -9.074 -3.501) 11.225 14.802 ( 2.706 1.806 1.176) 3.459 14.831 ( -1.596 1.839 -0.419) 2.471 15.040 ( -0.492 0.898 1.604) 1.903 15.115 ( -0.480 0.549 -1.118) 1.335 15.257 ( -12.561 -4.065 8.219) 15.551 15.498 ( 6.445 -7.107 -2.931) 10.032 15.953 ( 0.981 1.101 2.159) 2.615 16.078 ( -2.749 -2.392 -3.159) 4.823 16.352 ( -2.132 -0.218 1.880) 2.851 16.401 ( 3.558 -2.296 0.353) 4.249 ======================= Grid point 80 (38/72) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 5.204 8.334 5.593) 11.305 0.848 ( 4.002 10.828 8.300) 14.218 0.979 ( 7.695 12.363 0.882) 14.588 1.087 ( 6.553 0.679 -5.378) 8.504 1.192 ( -0.122 -1.092 -2.817) 3.024 1.309 ( -0.056 -1.239 -6.330) 6.451 1.340 ( 6.377 0.404 0.802) 6.440 1.418 ( 6.950 2.188 -1.249) 7.392 1.507 ( -1.964 0.007 -1.201) 2.302 1.634 ( 4.590 0.154 2.451) 5.205 1.711 ( 0.281 7.911 0.548) 7.935 1.766 ( 5.896 13.626 4.781) 15.598 1.828 ( 0.530 1.034 -0.775) 1.396 1.840 ( 1.374 4.437 1.508) 4.884 1.909 ( 4.262 3.969 1.254) 5.957 1.930 ( 1.125 1.224 1.694) 2.374 1.985 ( -0.077 1.702 2.733) 3.220 2.028 ( -2.569 4.311 -1.402) 5.210 2.133 ( -1.513 2.195 1.090) 2.880 2.183 ( -0.830 3.932 -1.057) 4.156 2.194 ( 0.615 4.262 -2.370) 4.915 2.243 ( 0.407 0.295 -1.139) 1.245 2.284 ( -5.161 6.146 -3.218) 8.647 2.383 ( -2.308 -1.011 -1.787) 3.089 2.423 ( 3.024 2.667 0.055) 4.032 2.461 ( 1.371 0.205 -0.097) 1.390 2.469 ( 1.653 3.214 -0.040) 3.614 2.520 ( 3.283 6.705 1.461) 7.607 2.681 ( -1.784 1.451 4.001) 4.615 2.730 ( -5.465 -2.455 -1.889) 6.282 2.809 ( -0.988 -0.758 -0.559) 1.365 2.842 ( 0.386 0.985 -4.782) 4.897 2.928 ( -3.548 3.841 4.319) 6.782 3.015 ( -0.084 -4.767 0.236) 4.773 3.077 ( -2.200 -5.526 -0.580) 5.976 3.091 ( 1.012 -3.309 0.753) 3.541 3.112 ( 0.001 -4.534 -2.017) 4.962 3.228 ( 3.318 -4.098 -3.065) 6.099 3.313 ( -2.539 0.618 0.218) 2.622 3.413 ( 2.489 -1.768 -1.102) 3.246 3.486 ( -2.503 -5.956 1.968) 6.753 3.521 ( -0.112 -5.973 2.844) 6.616 3.624 ( -1.444 -1.954 -2.700) 3.632 3.647 ( 0.651 -3.846 0.407) 3.922 3.726 ( -4.322 -2.967 -3.493) 6.300 3.823 ( 1.441 -2.407 3.201) 4.257 3.954 ( -0.313 -1.774 2.268) 2.896 4.027 ( 0.348 -0.307 0.235) 0.520 4.551 ( -0.979 -2.921 2.462) 3.943 4.630 ( 0.910 -4.578 -0.724) 4.724 4.946 ( -3.964 -0.461 -2.423) 4.669 4.998 ( 2.612 -1.892 1.551) 3.579 5.045 ( 1.221 -0.631 3.929) 4.163 5.128 ( -3.185 -3.164 -4.743) 6.531 5.411 ( -0.159 2.880 -0.125) 2.887 5.538 ( 3.663 -2.070 -1.610) 4.505 5.903 ( 0.238 3.836 3.994) 5.543 5.942 ( -1.431 1.284 -2.206) 2.926 6.094 ( -2.493 6.898 4.767) 8.748 6.251 ( -0.784 5.912 -4.451) 7.442 6.526 ( -7.550 -2.372 -2.828) 8.404 6.607 ( -1.437 -3.874 3.516) 5.425 7.076 ( -1.206 2.158 -0.314) 2.492 7.315 ( -0.370 0.517 -7.915) 7.941 7.584 ( -0.221 -5.056 3.693) 6.265 7.659 ( 1.347 -7.224 3.161) 8.000 8.042 ( 0.124 5.142 1.556) 5.373 8.258 ( 5.005 -0.656 -1.442) 5.249 11.743 ( -0.831 -0.273 -0.616) 1.070 11.764 ( 0.934 -0.777 0.976) 1.559 12.984 ( -4.886 12.522 1.376) 13.511 13.044 ( -4.664 9.860 -3.877) 11.576 13.691 ( -8.608 -4.723 -3.890) 10.561 13.985 ( -1.634 -14.053 0.926) 14.178 14.813 ( 0.481 2.405 -0.906) 2.615 14.895 ( 3.500 -0.219 1.688) 3.892 15.036 ( -0.921 1.409 1.460) 2.228 15.119 ( 4.232 2.002 -3.485) 5.837 15.210 ( -1.108 -0.515 5.922) 6.047 15.641 ( 9.823 -10.573 -0.158) 14.433 15.976 ( -2.342 -0.623 0.225) 2.434 16.013 ( -0.005 -1.403 1.040) 1.747 16.327 ( -1.353 0.620 0.508) 1.573 16.483 ( 4.323 -3.354 -0.520) 5.496 ======================= Grid point 81 (39/72) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 10.659 3.022 1.054) 11.129 1.003 ( 1.005 2.325 -5.580) 6.128 1.040 ( 2.400 4.847 7.032) 8.872 1.151 ( 5.756 7.177 -2.247) 9.470 1.190 ( 6.316 7.723 0.788) 10.007 1.338 ( 5.780 2.254 -3.230) 6.994 1.453 ( 2.893 3.449 2.415) 5.109 1.493 ( 2.849 -4.988 0.578) 5.773 1.561 ( 9.204 3.087 -0.267) 9.712 1.706 ( 1.508 3.562 1.718) 4.232 1.763 ( 2.317 7.697 -0.444) 8.050 1.788 ( 0.043 2.769 -1.295) 3.057 1.844 ( -0.956 3.196 -2.766) 4.334 1.886 ( -1.611 3.563 -0.511) 3.943 1.953 ( 1.099 7.402 -2.743) 7.970 1.978 ( -0.115 7.529 0.046) 7.530 2.004 ( 1.044 -1.280 1.287) 2.094 2.033 ( 5.197 4.983 0.967) 7.265 2.069 ( -3.093 9.973 -0.459) 10.452 2.105 ( -2.005 3.161 -4.540) 5.884 2.190 ( 0.142 -0.163 -2.301) 2.312 2.207 ( 2.278 3.271 -0.357) 4.002 2.273 ( 0.286 4.272 0.025) 4.282 2.301 ( -2.093 1.933 0.367) 2.872 2.496 ( 4.487 -0.499 -1.619) 4.796 2.518 ( 4.376 -0.707 4.258) 6.146 2.533 ( 1.431 2.301 1.983) 3.357 2.607 ( -1.421 4.855 0.021) 5.058 2.653 ( -0.257 -3.469 4.830) 5.952 2.694 ( 0.142 1.753 4.265) 4.613 2.767 ( -1.546 0.276 -4.113) 4.403 2.823 ( 0.229 1.938 0.250) 1.967 2.905 ( -4.195 3.026 5.121) 7.279 2.956 ( -2.244 -2.491 -2.292) 4.061 3.063 ( -1.246 -6.530 0.450) 6.663 3.102 ( 2.406 -3.133 -0.289) 3.961 3.153 ( -0.280 -4.965 1.228) 5.123 3.231 ( 0.860 -3.047 -4.559) 5.551 3.279 ( -0.618 -4.709 1.235) 4.907 3.379 ( -2.473 -1.843 -4.027) 5.073 3.463 ( -4.556 -5.924 1.390) 7.602 3.502 ( -0.781 -5.645 1.308) 5.847 3.602 ( -3.817 -0.978 -2.245) 4.535 3.631 ( 0.377 -3.753 2.200) 4.367 3.696 ( 1.257 -2.291 1.983) 3.281 3.829 ( -2.730 -5.082 1.914) 6.078 3.972 ( 0.815 -0.149 -0.771) 1.132 4.024 ( 0.304 0.123 -0.940) 0.995 4.555 ( -0.946 -4.328 1.532) 4.687 4.592 ( -2.813 -2.554 -3.280) 5.019 4.887 ( -1.256 -1.574 -1.568) 2.552 4.997 ( 0.200 -4.438 -4.352) 6.219 5.060 ( -0.109 -0.246 3.184) 3.195 5.137 ( -1.373 -3.436 5.237) 6.412 5.399 ( 1.345 1.103 -2.458) 3.011 5.580 ( 2.057 -4.503 -0.471) 4.973 5.939 ( 3.059 3.172 -0.346) 4.420 5.943 ( 0.864 3.999 3.015) 5.082 6.024 ( -5.133 5.615 -1.951) 7.854 6.202 ( -3.791 1.886 -1.353) 4.445 6.407 ( -0.689 1.111 -1.534) 2.016 6.561 ( -8.381 -0.682 3.967) 9.298 7.041 ( -3.234 4.164 -2.572) 5.866 7.241 ( 1.937 3.025 -4.945) 6.112 7.615 ( -1.322 -4.020 4.175) 5.945 7.727 ( 1.972 -7.344 3.799) 8.500 8.049 ( 2.118 4.070 -3.440) 5.735 8.335 ( 2.869 -2.394 1.141) 3.907 11.740 ( 0.539 -0.958 0.178) 1.113 11.786 ( 0.432 -1.239 0.645) 1.462 12.885 ( -7.128 11.121 1.794) 13.330 12.927 ( -7.165 10.883 0.196) 13.031 13.489 ( -5.472 0.182 -7.329) 9.148 13.946 ( -3.036 -15.694 1.019) 16.017 14.826 ( 1.465 2.764 -0.552) 3.176 14.925 ( -0.549 1.149 1.020) 1.631 15.052 ( 1.112 2.206 0.934) 2.641 15.170 ( 5.447 3.961 -5.396) 8.630 15.290 ( 2.706 -2.787 6.089) 7.223 15.799 ( 7.255 -11.894 0.199) 13.933 15.928 ( -1.471 -0.528 -0.792) 1.752 16.037 ( -0.860 -3.539 2.295) 4.305 16.326 ( 0.591 1.265 0.897) 1.659 16.530 ( 2.080 -3.652 -1.566) 4.485 ======================= Grid point 82 (40/72) ======================= q-point: ( 0.38 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 2.177 2.615 -6.141) 7.021 0.956 ( 3.667 1.232 -0.367) 3.886 1.186 ( 2.563 4.147 3.099) 5.777 1.248 ( 7.572 1.575 2.907) 8.262 1.364 ( 4.415 6.834 -0.929) 8.189 1.417 ( 8.129 10.378 1.885) 13.317 1.458 ( -3.700 0.108 0.340) 3.717 1.557 ( -0.676 -0.516 2.426) 2.571 1.688 ( 2.511 6.101 1.602) 6.790 1.717 ( 1.940 4.050 -0.916) 4.583 1.760 ( -1.173 2.571 -4.749) 5.526 1.787 ( 3.652 5.711 -2.069) 7.088 1.817 ( -0.503 3.147 2.694) 4.173 1.841 ( -1.405 8.219 1.555) 8.482 1.914 ( -2.964 2.897 1.946) 4.578 1.965 ( 2.455 9.905 -1.590) 10.328 2.015 ( -0.976 7.411 -0.468) 7.490 2.045 ( 1.032 4.418 0.156) 4.540 2.098 ( 3.506 4.808 -2.328) 6.389 2.122 ( 1.618 5.659 -1.868) 6.175 2.174 ( 0.363 0.823 0.059) 0.901 2.242 ( 1.470 0.047 -0.459) 1.541 2.282 ( 0.236 2.247 0.131) 2.263 2.330 ( 1.858 -0.840 3.565) 4.107 2.488 ( -2.813 -0.219 -0.463) 2.859 2.543 ( 0.861 1.515 -1.624) 2.382 2.579 ( -1.821 0.783 -3.881) 4.358 2.649 ( 4.535 1.059 1.721) 4.965 2.667 ( -0.102 2.006 0.053) 2.009 2.709 ( 0.414 -0.514 -2.335) 2.427 2.799 ( 1.654 -3.952 6.360) 7.668 2.839 ( 3.326 1.448 0.079) 3.628 2.888 ( -1.687 1.049 4.662) 5.068 2.944 ( -1.678 0.089 -2.587) 3.085 2.995 ( -2.950 -5.340 -1.694) 6.332 3.099 ( -3.204 -4.601 -3.149) 6.430 3.147 ( -0.255 -4.215 -2.423) 4.869 3.167 ( 0.341 -3.900 0.404) 3.936 3.265 ( -2.745 -0.541 -1.869) 3.364 3.355 ( 0.653 -4.851 3.850) 6.228 3.423 ( -0.983 -7.682 -0.010) 7.745 3.504 ( -1.843 -7.093 2.302) 7.681 3.537 ( -1.147 1.469 -0.365) 1.899 3.614 ( -1.686 -1.819 0.498) 2.530 3.742 ( -2.318 -3.251 1.704) 4.341 3.790 ( -0.263 -3.121 -0.294) 3.146 3.972 ( 0.641 -0.236 -0.786) 1.042 4.023 ( 0.514 -1.412 -1.297) 1.985 4.513 ( -1.930 -0.883 -1.028) 2.358 4.551 ( -1.190 -5.220 1.426) 5.540 4.861 ( 0.446 -0.698 -1.503) 1.716 4.985 ( 0.443 -5.232 -1.043) 5.354 5.074 ( -0.511 -3.882 0.798) 3.996 5.120 ( -3.007 -4.327 0.883) 5.342 5.435 ( 3.351 -1.942 0.283) 3.883 5.589 ( -0.875 -4.513 0.227) 4.602 5.907 ( -3.206 3.904 -2.402) 5.594 5.989 ( 2.222 5.819 0.762) 6.276 6.057 ( 6.620 4.769 0.948) 8.214 6.146 ( -0.606 -3.330 0.720) 3.461 6.335 ( -8.599 5.889 -2.019) 10.616 6.483 ( -2.284 0.763 3.396) 4.163 6.937 ( -3.356 4.936 -2.596) 6.509 7.263 ( 3.593 5.322 -4.962) 8.115 7.617 ( -3.060 -1.659 4.875) 5.990 7.778 ( 0.181 -8.221 2.169) 8.504 8.074 ( 3.762 1.812 -1.339) 4.385 8.364 ( -0.120 -2.496 -0.410) 2.532 11.756 ( 0.735 -1.395 0.240) 1.595 11.791 ( 0.030 -1.283 -0.273) 1.312 12.783 ( -5.406 9.870 1.174) 11.314 12.803 ( -5.935 9.636 -0.204) 11.319 13.413 ( 0.936 1.240 -0.099) 1.557 13.898 ( -2.197 -14.305 -1.939) 14.602 14.844 ( 1.008 2.554 -0.642) 2.820 14.913 ( -0.643 1.854 -1.067) 2.234 15.082 ( 0.900 3.458 1.091) 3.736 15.197 ( 3.178 4.953 -4.963) 7.698 15.404 ( 2.238 -4.163 8.396) 9.635 15.890 ( 2.788 -9.010 -0.078) 9.432 15.910 ( 0.162 -3.270 -1.274) 3.513 16.020 ( -1.561 -3.208 -0.509) 3.604 16.357 ( 0.804 0.583 2.234) 2.445 16.532 ( 0.566 -3.451 -2.249) 4.158 ======================= Grid point 83 (41/72) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 5.322 4.208 -0.372) 6.795 1.036 ( 2.310 2.248 2.656) 4.177 1.165 ( -3.458 1.631 -3.428) 5.135 1.309 ( -4.674 3.988 -0.315) 6.152 1.338 ( 0.705 0.443 -4.301) 4.380 1.406 ( -2.416 2.988 -1.004) 3.972 1.502 ( -6.049 3.557 4.197) 8.177 1.611 ( 7.627 5.650 0.875) 9.532 1.721 ( -2.245 9.584 2.023) 10.049 1.738 ( 1.457 4.448 2.543) 5.326 1.771 ( 1.202 5.145 2.500) 5.845 1.803 ( 0.034 8.901 3.902) 9.719 1.844 ( 0.897 3.853 0.692) 4.016 1.880 ( 3.280 12.301 -1.035) 12.773 1.906 ( -1.215 3.152 2.822) 4.401 1.990 ( 0.411 2.930 1.401) 3.274 2.044 ( 2.880 3.358 2.072) 4.885 2.052 ( 0.957 3.982 -2.198) 4.648 2.112 ( 1.860 1.287 -3.780) 4.405 2.168 ( 2.151 3.241 0.404) 3.911 2.182 ( -0.647 5.011 2.144) 5.489 2.209 ( -2.090 1.442 -0.840) 2.674 2.287 ( -1.039 1.881 -1.505) 2.624 2.372 ( -1.988 -0.476 5.293) 5.674 2.450 ( -0.183 -0.635 -3.334) 3.399 2.510 ( -0.976 -1.976 -1.617) 2.733 2.541 ( 2.239 2.837 -0.659) 3.673 2.635 ( -1.094 2.414 -2.806) 3.860 2.669 ( -1.355 1.694 -3.945) 4.502 2.737 ( -1.101 0.257 -1.644) 1.996 2.787 ( -1.522 4.736 -4.222) 6.525 2.817 ( -3.234 -0.073 -6.919) 7.638 2.833 ( -4.260 -2.105 2.188) 5.231 2.906 ( 1.520 -0.816 -0.743) 1.879 3.004 ( 4.396 -5.584 4.918) 8.643 3.121 ( 0.964 -5.548 1.602) 5.854 3.141 ( 2.124 -5.613 -1.543) 6.197 3.183 ( -0.743 -4.938 -0.781) 5.054 3.248 ( 3.056 -2.058 3.419) 5.027 3.380 ( -2.458 -3.600 4.181) 6.040 3.415 ( 1.189 -6.307 -2.112) 6.756 3.465 ( -3.890 -7.683 0.546) 8.629 3.538 ( 1.538 1.269 0.172) 2.001 3.590 ( -1.824 -0.977 -1.286) 2.436 3.707 ( 0.173 -4.327 1.638) 4.630 3.787 ( -0.855 -3.944 -1.252) 4.225 3.975 ( 0.445 -0.053 -0.157) 0.475 4.022 ( 0.525 -1.666 -1.245) 2.145 4.531 ( 2.501 -0.804 2.433) 3.580 4.544 ( -0.836 -4.125 0.981) 4.322 4.880 ( 1.522 -1.048 0.970) 2.087 4.973 ( -0.088 -3.564 -2.437) 4.318 5.053 ( -2.352 -6.673 1.050) 7.153 5.089 ( 0.534 -6.019 -1.892) 6.332 5.496 ( 1.109 -2.753 2.381) 3.805 5.569 ( -0.329 -3.206 -0.696) 3.298 5.870 ( 0.194 5.544 -0.186) 5.550 6.004 ( -0.416 6.171 -4.544) 7.675 6.111 ( -1.377 5.261 2.578) 6.019 6.177 ( -3.916 4.147 -0.184) 5.707 6.241 ( 6.521 -4.411 3.073) 8.451 6.452 ( -2.759 -3.063 -1.567) 4.410 6.932 ( 2.862 8.932 2.730) 9.768 7.233 ( 0.274 7.648 -8.746) 11.622 7.616 ( -2.469 -1.530 5.887) 6.564 7.779 ( -0.641 -8.411 -0.454) 8.447 8.148 ( 2.626 0.454 3.405) 4.324 8.329 ( -1.366 -1.895 -3.359) 4.091 11.763 ( -0.232 -1.302 0.152) 1.331 11.785 ( -0.093 -1.105 -0.705) 1.314 12.728 ( -1.082 9.099 0.366) 9.171 12.750 ( 0.703 8.536 -0.414) 8.575 13.494 ( 3.600 -0.896 6.997) 7.920 13.822 ( -2.106 -11.153 -6.267) 12.966 14.849 ( 0.320 2.105 -0.558) 2.201 14.885 ( -0.614 1.845 -2.240) 2.966 15.097 ( -0.621 4.340 1.369) 4.593 15.193 ( 1.052 5.500 -3.683) 6.703 15.522 ( 0.490 -5.900 10.627) 12.165 15.875 ( -1.178 -10.864 -5.530) 12.247 15.916 ( 0.191 -0.927 1.594) 1.854 15.992 ( -0.321 -2.199 -1.556) 2.713 16.381 ( -0.998 0.056 2.826) 2.998 16.519 ( 1.003 -3.006 -2.828) 4.247 ======================= Grid point 84 (42/72) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -7.453 5.876 -6.666) 11.598 1.045 ( -0.871 2.674 1.925) 3.408 1.184 ( -10.073 6.468 3.052) 12.354 1.223 ( 4.201 -1.050 1.910) 4.732 1.269 ( 0.725 -0.890 -1.996) 2.302 1.346 ( -4.456 3.675 1.260) 5.912 1.439 ( -2.915 2.940 0.075) 4.141 1.633 ( -3.872 3.007 1.070) 5.018 1.716 ( -4.472 5.325 0.885) 7.010 1.728 ( -1.896 6.518 -2.087) 7.102 1.800 ( -1.373 2.343 1.613) 3.159 1.803 ( -3.126 7.808 3.027) 8.938 1.872 ( -3.376 8.844 3.293) 10.023 1.897 ( 2.331 6.983 -2.070) 7.647 1.933 ( 1.362 6.989 0.272) 7.126 1.996 ( 0.033 6.143 -2.998) 6.835 2.030 ( -1.970 5.904 -1.797) 6.478 2.086 ( -2.272 2.204 2.630) 4.115 2.115 ( 0.473 0.496 -4.860) 4.908 2.153 ( 5.813 3.651 -1.696) 7.071 2.193 ( -0.692 2.859 -2.394) 3.793 2.210 ( -0.765 4.061 0.383) 4.150 2.279 ( -0.996 -2.544 3.965) 4.815 2.322 ( -4.929 0.724 -0.397) 4.998 2.407 ( 1.540 0.035 0.426) 1.598 2.502 ( -1.600 1.607 0.230) 2.279 2.552 ( -0.117 4.347 -2.086) 4.823 2.580 ( -0.655 1.252 0.344) 1.454 2.643 ( -3.550 -0.716 0.194) 3.626 2.709 ( -0.858 1.407 0.561) 1.741 2.734 ( 8.044 3.875 1.282) 9.020 2.767 ( -3.475 0.116 0.834) 3.576 2.868 ( 7.284 0.418 -3.026) 7.899 2.950 ( 1.233 -2.788 1.923) 3.604 3.073 ( -0.980 -6.570 2.085) 6.962 3.115 ( -1.667 -5.907 -1.360) 6.286 3.150 ( 1.395 -5.292 -0.866) 5.540 3.168 ( 1.120 -4.853 -1.920) 5.338 3.326 ( -3.688 -3.116 -2.542) 5.457 3.381 ( -0.077 -4.485 0.133) 4.488 3.387 ( 5.747 -3.557 2.711) 7.282 3.469 ( 0.944 -6.036 2.447) 6.581 3.557 ( 0.195 -0.866 -2.979) 3.108 3.618 ( 4.584 -0.706 3.362) 5.729 3.715 ( -1.093 -3.884 0.626) 4.084 3.774 ( 0.718 -5.045 0.423) 5.113 3.984 ( -0.071 -0.462 -0.052) 0.470 4.008 ( -0.319 -1.163 -1.736) 2.114 4.534 ( -0.716 -2.169 0.076) 2.285 4.607 ( 3.174 -3.136 0.444) 4.484 4.877 ( -2.120 -0.607 -2.078) 3.030 4.978 ( 3.027 -1.864 0.253) 3.564 5.025 ( -1.099 -6.581 -0.991) 6.746 5.112 ( 2.337 -6.879 1.818) 7.489 5.487 ( -2.879 0.195 0.259) 2.897 5.590 ( 2.028 -3.502 0.212) 4.052 5.876 ( -0.956 6.837 0.648) 6.933 5.927 ( -0.937 3.905 -3.082) 5.062 6.084 ( -3.822 5.066 1.448) 6.509 6.206 ( 3.873 3.516 1.951) 5.583 6.318 ( 0.869 -4.113 -2.184) 4.737 6.470 ( 6.657 -5.537 1.927) 8.871 7.037 ( 3.459 10.056 4.036) 11.375 7.131 ( -0.227 8.777 -10.549) 13.725 7.642 ( -1.371 -4.093 6.328) 7.660 7.760 ( -0.602 -6.534 -0.456) 6.578 8.166 ( -4.552 0.033 0.012) 4.552 8.300 ( 2.031 -1.582 -0.923) 2.735 11.755 ( -0.717 -0.857 0.466) 1.211 11.775 ( -0.375 -1.143 -0.504) 1.304 12.765 ( 4.488 9.898 0.709) 10.891 12.818 ( 7.125 9.209 0.146) 11.644 13.643 ( 3.555 -5.443 8.187) 10.454 13.705 ( -1.370 -7.144 -10.157) 12.493 14.849 ( -0.175 1.871 0.060) 1.880 14.854 ( -0.455 1.832 -1.649) 2.506 15.084 ( -2.243 4.394 1.416) 5.132 15.167 ( -0.400 5.161 -2.693) 5.835 15.608 ( -3.332 -8.536 11.669) 14.837 15.770 ( -3.090 -10.223 -7.767) 13.205 15.933 ( -0.223 -0.303 1.284) 1.338 15.975 ( 0.440 -1.839 -1.271) 2.279 16.378 ( -2.118 0.092 2.771) 3.489 16.514 ( 1.079 -2.900 -2.831) 4.194 ======================= Grid point 85 (43/72) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.608 9.234 -1.989) 10.985 0.917 ( -13.107 2.670 4.459) 14.100 1.028 ( -6.949 5.112 -2.327) 8.935 1.215 ( -5.218 3.370 -0.755) 6.258 1.262 ( -4.460 -3.268 -0.494) 5.551 1.351 ( 3.693 2.253 0.264) 4.334 1.452 ( 1.095 2.543 3.102) 4.158 1.525 ( -8.777 3.944 -2.503) 9.943 1.624 ( -4.523 4.350 0.587) 6.303 1.652 ( -4.953 0.556 -1.185) 5.123 1.716 ( -6.321 10.542 3.220) 12.707 1.750 ( -4.126 9.900 -3.376) 11.244 1.831 ( -0.282 4.854 -0.330) 4.874 1.877 ( -1.756 4.332 -0.163) 4.677 1.907 ( -3.265 2.049 -1.187) 4.033 1.974 ( -0.702 5.822 0.043) 5.864 2.014 ( 2.409 10.994 -1.082) 11.307 2.023 ( -4.062 2.633 -1.419) 5.045 2.094 ( 0.056 -1.870 -3.076) 3.600 2.137 ( -2.523 3.663 1.306) 4.635 2.180 ( 0.159 3.701 -3.324) 4.977 2.221 ( -0.088 1.516 1.867) 2.407 2.275 ( 4.047 1.748 -3.618) 5.703 2.337 ( 0.359 1.358 1.358) 1.954 2.445 ( -1.438 0.180 -0.675) 1.599 2.495 ( 1.418 3.583 0.905) 3.958 2.530 ( -3.108 0.343 2.824) 4.213 2.622 ( 3.890 -0.541 4.675) 6.106 2.635 ( 3.022 2.047 0.855) 3.749 2.719 ( -0.691 -3.307 3.925) 5.179 2.755 ( 1.508 2.920 -1.133) 3.476 2.882 ( 3.370 2.656 2.872) 5.163 2.963 ( 0.678 -1.730 -0.344) 1.890 2.978 ( -1.738 -6.983 -4.445) 8.458 3.034 ( 6.204 -5.099 1.338) 8.141 3.116 ( -0.573 -6.230 0.334) 6.266 3.142 ( 0.149 -2.292 5.287) 5.764 3.211 ( 4.632 -1.846 -3.871) 6.312 3.259 ( -0.277 -3.626 -3.783) 5.248 3.384 ( -0.732 -2.455 0.236) 2.573 3.475 ( 1.048 -3.143 -0.958) 3.449 3.501 ( -0.043 -4.317 2.880) 5.190 3.552 ( 2.625 -1.779 -1.530) 3.521 3.673 ( 0.950 -2.456 -1.292) 2.933 3.755 ( 2.257 -1.084 3.402) 4.224 3.806 ( 1.550 -4.457 1.875) 5.078 3.957 ( -2.489 -1.107 0.246) 2.735 3.983 ( -0.576 -2.206 -2.272) 3.219 4.520 ( -0.611 -1.370 0.057) 1.501 4.636 ( 0.741 -5.995 -1.412) 6.204 4.830 ( 0.476 0.971 -2.244) 2.491 4.989 ( -1.264 -5.288 -1.862) 5.747 5.053 ( 3.149 -1.444 3.275) 4.767 5.202 ( 4.921 -4.939 3.118) 7.638 5.414 ( -3.998 2.228 -2.762) 5.346 5.609 ( -0.601 -3.414 -0.194) 3.472 5.855 ( -2.749 8.157 1.230) 8.695 5.933 ( 3.284 1.135 0.498) 3.510 6.018 ( -2.901 1.314 -1.239) 3.418 6.240 ( 1.590 -0.893 -2.863) 3.394 6.414 ( 7.430 3.162 3.106) 8.652 6.602 ( 5.512 -0.565 1.097) 5.648 7.075 ( 4.471 5.503 -6.625) 9.704 7.092 ( 0.103 7.750 0.311) 7.757 7.665 ( -1.816 -7.951 3.324) 8.807 7.771 ( 0.129 -4.331 4.020) 5.911 8.032 ( -6.522 2.020 -4.241) 8.038 8.332 ( -0.051 -2.863 1.275) 3.135 11.751 ( -0.368 -0.864 -0.054) 0.940 11.768 ( -0.038 -0.836 0.895) 1.225 12.878 ( 6.503 12.359 0.690) 13.983 13.016 ( 14.195 10.527 2.827) 17.897 13.540 ( -2.173 -2.590 -14.149) 14.547 13.797 ( 3.707 -10.746 6.256) 12.975 14.825 ( -0.967 2.119 -1.240) 2.639 14.858 ( -0.302 1.854 1.709) 2.540 15.053 ( -2.341 3.300 1.170) 4.212 15.134 ( -0.500 4.072 -2.070) 4.595 15.595 ( -8.444 -10.054 6.127) 14.489 15.635 ( -5.806 -10.509 -3.067) 12.391 15.922 ( -0.176 0.800 -1.062) 1.342 16.013 ( 2.958 -1.767 2.208) 4.092 16.364 ( -1.916 0.144 1.887) 2.693 16.489 ( -1.350 -3.212 -2.511) 4.295 ======================= Grid point 86 (44/72) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -7.242 8.228 5.772) 12.388 0.762 ( -8.292 9.195 9.062) 15.344 0.926 ( -1.649 5.083 -3.200) 6.229 1.073 ( -6.154 2.735 -2.826) 7.303 1.220 ( -0.396 -2.015 -0.576) 2.133 1.280 ( -11.194 14.028 -3.420) 18.270 1.356 ( 1.470 4.663 -5.656) 7.476 1.482 ( -0.896 -1.001 -0.489) 1.430 1.516 ( -5.512 4.534 3.469) 7.936 1.596 ( -1.992 4.339 0.563) 4.807 1.651 ( -2.977 4.867 -0.257) 5.711 1.746 ( -0.126 2.774 2.277) 3.591 1.811 ( -0.399 4.885 -0.108) 4.902 1.854 ( -2.184 1.369 1.244) 2.862 1.864 ( -0.796 -0.221 1.122) 1.394 1.949 ( -2.901 3.662 -1.369) 4.868 1.972 ( -0.514 4.509 0.711) 4.594 2.028 ( -0.840 1.529 2.513) 3.059 2.100 ( 0.902 -0.270 3.056) 3.198 2.130 ( 1.466 3.032 -0.085) 3.369 2.165 ( 1.352 8.167 -2.241) 8.576 2.220 ( -0.358 0.565 -0.832) 1.067 2.299 ( 1.222 1.647 -2.483) 3.220 2.337 ( 0.487 5.405 -0.532) 5.453 2.409 ( -0.269 2.711 -0.674) 2.806 2.503 ( -1.385 3.370 0.022) 3.643 2.562 ( 2.016 1.373 2.060) 3.193 2.662 ( -3.423 -3.826 0.621) 5.171 2.675 ( 1.875 3.734 -4.585) 6.203 2.773 ( 2.402 0.567 0.033) 2.469 2.821 ( 4.777 -4.538 5.300) 8.456 2.845 ( -1.142 -5.210 -4.993) 7.306 2.929 ( 0.601 2.008 2.039) 2.924 3.008 ( -1.663 -1.017 1.360) 2.377 3.075 ( -1.437 -4.932 -1.222) 5.280 3.157 ( 2.313 -7.548 1.572) 8.049 3.193 ( 1.419 -4.980 -2.101) 5.588 3.237 ( 3.648 -0.692 -3.139) 4.862 3.270 ( 0.325 1.330 -3.315) 3.587 3.336 ( 0.638 -2.564 0.405) 2.673 3.480 ( -2.069 -5.786 2.237) 6.539 3.505 ( 0.492 0.114 1.193) 1.296 3.598 ( 2.677 -2.039 0.647) 3.427 3.696 ( 1.259 -1.528 0.651) 2.084 3.763 ( -1.548 -0.440 -3.564) 3.910 3.844 ( 0.052 -3.384 2.138) 4.003 3.934 ( -1.318 -1.671 2.103) 2.992 3.959 ( 0.241 -3.863 -0.005) 3.870 4.525 ( 0.105 -1.879 2.071) 2.799 4.619 ( -1.066 -6.744 -0.656) 6.859 4.861 ( 3.205 -1.367 0.753) 3.565 4.955 ( -0.368 -3.518 -1.705) 3.926 5.153 ( 4.164 1.972 2.215) 5.112 5.273 ( -3.488 1.423 -3.494) 5.138 5.351 ( 4.271 -0.694 2.253) 4.878 5.536 ( -5.501 -3.912 -3.906) 7.798 5.818 ( -2.150 8.780 3.070) 9.547 5.984 ( -0.308 1.941 0.411) 2.008 6.024 ( 3.775 -1.594 0.937) 4.203 6.275 ( 3.838 -4.245 2.028) 6.072 6.474 ( 0.667 9.577 -6.238) 11.449 6.742 ( 6.075 4.776 4.260) 8.824 7.063 ( -0.796 2.278 -1.560) 2.873 7.164 ( 9.762 0.385 -4.041) 10.573 7.649 ( -1.922 -8.556 1.183) 8.849 7.760 ( -7.504 -8.963 1.811) 11.829 7.940 ( 0.211 7.703 1.791) 7.911 8.302 ( -3.322 -3.389 -1.160) 4.885 11.740 ( -0.268 -0.837 -0.285) 0.924 11.786 ( 0.359 -0.938 0.641) 1.191 12.978 ( 3.791 14.023 0.227) 14.528 13.356 ( 4.290 4.186 -18.726) 19.662 13.385 ( 13.872 5.308 11.279) 18.650 13.893 ( 2.646 -12.768 2.202) 13.224 14.795 ( -1.223 2.363 -0.410) 2.692 14.860 ( -1.650 1.736 1.497) 2.825 15.035 ( -0.825 1.742 1.185) 2.263 15.120 ( 0.859 2.096 -1.547) 2.743 15.453 ( -15.983 -11.023 9.031) 21.413 15.503 ( -2.347 -7.029 -5.493) 9.224 15.924 ( 0.816 1.873 0.273) 2.061 16.092 ( 2.701 -3.248 1.189) 4.389 16.348 ( -0.890 -0.087 0.628) 1.092 16.421 ( -3.622 -2.402 -0.863) 4.431 ======================= Grid point 87 (45/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -4.046 11.153 4.713) 12.766 0.980 ( 1.097 6.810 6.075) 9.192 0.996 ( 2.585 -3.278 -2.811) 5.032 1.069 ( 1.277 -2.461 4.618) 5.387 1.141 ( -1.669 6.468 1.613) 6.872 1.287 ( 2.546 -2.968 -2.181) 4.477 1.360 ( -3.762 1.886 -4.232) 5.968 1.415 ( 2.554 4.148 -8.271) 9.599 1.474 ( -3.375 -5.621 -2.445) 6.998 1.536 ( 1.056 -5.746 -6.359) 8.635 1.772 ( 2.954 1.817 7.390) 8.163 1.810 ( 2.496 -1.627 4.800) 5.650 1.854 ( 0.355 4.541 1.378) 4.758 1.896 ( -0.242 0.034 -0.386) 0.457 1.952 ( -3.181 4.792 -0.923) 5.825 2.003 ( -1.040 1.188 -1.696) 2.317 2.036 ( 1.957 7.389 2.910) 8.179 2.094 ( -0.459 7.053 1.197) 7.168 2.120 ( 0.675 -2.908 3.789) 4.824 2.139 ( -1.102 1.046 2.944) 3.313 2.171 ( 2.332 -2.336 2.146) 3.937 2.334 ( -1.870 -5.500 -6.214) 8.506 2.449 ( -1.012 6.572 0.091) 6.650 2.457 ( 0.813 5.983 -0.693) 6.078 2.502 ( 0.296 5.389 -0.948) 5.480 2.551 ( 0.347 5.531 -1.519) 5.746 2.585 ( 0.656 2.266 -0.430) 2.398 2.621 ( 0.581 -4.835 0.116) 4.871 2.715 ( -1.065 6.026 1.338) 6.264 2.743 ( 0.098 3.442 0.307) 3.457 2.832 ( 2.021 -2.103 3.891) 4.863 2.871 ( -1.338 -0.470 0.735) 1.597 2.917 ( -1.830 -6.851 -0.589) 7.116 2.939 ( -0.476 1.717 -2.412) 2.999 3.002 ( -1.333 0.038 1.195) 1.791 3.008 ( -0.078 -3.551 -0.105) 3.553 3.086 ( 0.465 -4.053 1.333) 4.292 3.139 ( -0.367 -5.670 -4.356) 7.160 3.249 ( -0.832 -5.130 0.370) 5.210 3.302 ( 3.217 -4.587 -1.876) 5.908 3.407 ( 0.204 2.760 -1.611) 3.202 3.468 ( 0.815 -2.974 -2.264) 3.825 3.602 ( -1.282 0.929 -3.340) 3.697 3.658 ( -1.875 -3.600 -5.504) 6.839 3.756 ( 0.450 2.888 3.518) 4.574 3.798 ( -1.619 -0.388 1.426) 2.192 3.914 ( -1.242 -1.055 3.130) 3.529 3.929 ( 2.078 -2.581 2.938) 4.428 4.513 ( -0.019 -0.875 2.330) 2.489 4.523 ( 0.801 -2.165 1.698) 2.866 4.907 ( 2.844 -0.256 2.216) 3.615 4.921 ( 2.440 -1.392 2.197) 3.566 5.137 ( -6.559 3.810 -6.905) 10.257 5.225 ( -5.704 -3.935 -7.929) 10.530 5.414 ( 3.276 1.560 3.677) 5.166 5.448 ( 4.936 -1.347 1.714) 5.396 5.946 ( 0.042 2.781 0.304) 2.798 5.985 ( -0.427 -1.173 -0.606) 1.388 6.156 ( 1.790 7.144 9.113) 11.717 6.292 ( 2.390 -5.125 7.308) 9.240 6.624 ( -2.707 8.771 -7.790) 12.039 6.747 ( -8.393 -2.489 -6.631) 10.983 7.102 ( 3.464 2.985 -1.862) 4.937 7.210 ( 8.423 -6.110 -6.857) 12.462 7.510 ( -3.982 -2.796 4.823) 6.850 7.518 ( -2.206 -3.415 3.995) 5.700 8.111 ( 0.417 4.806 2.233) 5.315 8.193 ( 0.508 -3.061 -1.137) 3.305 11.745 ( 0.257 0.652 0.335) 0.777 11.761 ( -0.456 -0.780 -0.298) 0.951 13.214 ( -0.467 5.851 -3.328) 6.747 13.276 ( -2.420 0.474 -7.995) 8.367 13.674 ( 1.581 2.018 7.725) 8.140 13.785 ( 3.536 -7.025 1.398) 7.988 14.834 ( 0.826 1.266 0.499) 1.592 14.849 ( -0.686 -0.057 -0.205) 0.719 15.067 ( -1.452 1.718 2.011) 3.017 15.105 ( -2.502 -1.653 1.929) 3.566 15.247 ( -1.313 3.029 0.343) 3.319 15.352 ( 3.216 -6.530 -2.546) 7.711 15.986 ( 0.140 1.985 0.358) 2.022 16.030 ( -1.080 -2.243 -1.512) 2.913 16.349 ( -0.596 0.104 0.907) 1.090 16.362 ( 1.414 -1.273 0.491) 1.965 ======================= Grid point 88 (46/72) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.291 10.443 2.115) 10.898 1.000 ( 2.105 -3.639 -1.056) 4.334 1.075 ( 0.307 4.749 6.763) 8.270 1.157 ( 1.604 -1.991 3.698) 4.496 1.233 ( 9.269 8.359 2.380) 12.706 1.284 ( -0.320 -0.811 -3.499) 3.606 1.327 ( 3.662 2.050 -4.779) 6.360 1.438 ( 8.555 0.371 -4.875) 9.853 1.466 ( 5.198 -3.860 -2.392) 6.903 1.544 ( 4.913 -6.680 -2.098) 8.553 1.826 ( -1.879 2.489 1.679) 3.541 1.845 ( -0.972 0.423 0.753) 1.300 1.910 ( 2.246 1.221 1.177) 2.815 1.930 ( 3.501 0.175 2.099) 4.086 1.945 ( 1.617 4.516 1.182) 4.940 1.996 ( 2.973 0.439 -2.312) 3.791 2.068 ( 0.650 7.428 -0.867) 7.506 2.130 ( 0.229 3.172 1.274) 3.425 2.157 ( 0.975 2.512 0.920) 2.848 2.199 ( 2.368 -2.535 3.650) 5.036 2.223 ( 1.337 -1.892 0.327) 2.339 2.247 ( 1.680 -2.766 -3.117) 4.493 2.430 ( -2.014 8.788 0.038) 9.016 2.435 ( -0.835 7.026 -0.249) 7.080 2.506 ( -3.012 5.045 -2.649) 6.445 2.533 ( 0.959 5.145 0.743) 5.286 2.576 ( -0.450 0.682 -0.178) 0.837 2.613 ( -0.500 -5.713 -2.701) 6.339 2.726 ( -2.975 3.164 4.646) 6.360 2.742 ( 1.190 8.877 2.876) 9.407 2.801 ( -2.369 2.208 -3.045) 4.445 2.860 ( -3.058 -5.171 -0.289) 6.015 2.928 ( 3.757 -0.448 3.418) 5.099 2.936 ( 0.392 -2.755 0.147) 2.787 2.978 ( -2.548 -0.808 3.189) 4.161 3.000 ( -2.349 -3.024 -1.502) 4.113 3.035 ( -1.620 -1.783 -4.085) 4.742 3.151 ( 1.226 -7.345 0.599) 7.471 3.222 ( -1.666 -3.557 -0.401) 3.948 3.321 ( 0.253 -8.909 -0.417) 8.922 3.411 ( 0.437 2.256 -0.747) 2.417 3.454 ( 0.095 -1.367 -2.917) 3.223 3.577 ( 0.149 -1.960 -0.966) 2.190 3.584 ( -0.248 -2.004 -2.211) 2.994 3.716 ( -5.151 2.033 0.902) 5.611 3.776 ( -4.182 -2.975 2.384) 5.659 3.946 ( 2.152 1.556 1.510) 3.054 3.996 ( 2.129 -2.482 1.656) 3.665 4.523 ( -0.596 0.254 0.708) 0.960 4.555 ( 0.688 -2.645 0.385) 2.760 4.948 ( -2.183 0.520 -3.993) 4.580 4.966 ( 0.448 -1.141 -1.850) 2.219 5.035 ( -0.257 0.242 7.151) 7.160 5.066 ( -4.453 -2.593 -1.025) 5.254 5.463 ( 0.705 2.152 -1.847) 2.922 5.500 ( 1.668 -1.637 -2.495) 3.419 5.955 ( 0.228 1.545 1.283) 2.021 5.965 ( -0.233 0.657 -0.629) 0.939 6.284 ( -0.907 9.188 8.468) 12.528 6.353 ( -0.366 3.233 0.039) 3.254 6.472 ( -11.262 -2.581 -8.272) 14.209 6.511 ( -4.769 -5.495 4.824) 8.730 7.149 ( 4.772 5.674 -3.806) 8.334 7.282 ( 6.516 -5.146 -9.070) 12.296 7.494 ( -2.613 -1.147 5.358) 6.070 7.539 ( -0.677 -4.364 4.257) 6.134 8.140 ( 0.922 4.316 0.801) 4.486 8.217 ( 2.813 -3.074 -0.687) 4.223 11.747 ( -0.613 0.387 -0.312) 0.789 11.754 ( 0.198 -0.338 0.528) 0.658 13.158 ( -4.257 3.979 -1.840) 6.110 13.169 ( -3.218 2.565 -1.668) 4.441 13.664 ( -6.335 2.434 0.768) 6.830 13.770 ( -4.974 -7.425 0.115) 8.938 14.855 ( 1.494 1.629 -0.266) 2.226 14.881 ( 2.775 -0.966 0.947) 3.087 15.071 ( 0.139 2.016 1.738) 2.665 15.114 ( 1.865 -1.893 1.228) 2.928 15.268 ( 3.157 5.924 -0.198) 6.716 15.429 ( 6.835 -9.380 -1.346) 11.684 15.976 ( -2.012 0.481 0.032) 2.069 15.991 ( -1.275 -0.886 0.218) 1.568 16.354 ( 0.650 2.041 0.147) 2.147 16.411 ( 2.827 -3.337 -0.050) 4.374 ======================= Grid point 89 (47/72) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 5.229 4.937 -1.933) 7.447 0.991 ( -0.164 -2.610 -4.521) 5.223 1.161 ( 3.789 5.160 4.166) 7.638 1.196 ( 3.063 1.746 0.707) 3.595 1.321 ( 3.027 -1.734 3.361) 4.844 1.351 ( 3.727 -5.068 0.159) 6.293 1.457 ( 8.300 11.809 3.879) 14.946 1.540 ( 8.318 2.403 -6.052) 10.563 1.577 ( 11.172 -0.993 -3.305) 11.693 1.675 ( 6.808 -7.704 3.375) 10.821 1.798 ( -2.468 2.275 0.270) 3.367 1.832 ( -1.523 -0.379 0.798) 1.760 1.882 ( -1.880 1.143 -5.389) 5.820 1.926 ( -2.358 -2.852 -2.410) 4.416 1.993 ( 2.926 5.739 -0.408) 6.454 2.059 ( 5.585 -0.141 -2.401) 6.081 2.139 ( 6.025 3.794 0.719) 7.156 2.157 ( 2.309 1.698 0.109) 2.868 2.178 ( 2.813 6.941 2.366) 7.854 2.236 ( -2.811 4.865 1.794) 5.899 2.245 ( 1.807 0.828 0.638) 2.087 2.298 ( 2.480 2.340 -1.494) 3.723 2.378 ( -3.551 6.548 -0.624) 7.475 2.395 ( -2.232 7.737 -1.630) 8.215 2.486 ( 1.572 0.126 3.047) 3.431 2.523 ( 0.306 0.893 0.493) 1.065 2.551 ( -3.192 -1.650 -0.643) 3.651 2.612 ( 1.853 -1.117 1.685) 2.742 2.702 ( -4.305 3.191 1.682) 5.616 2.750 ( -0.334 -0.410 -3.537) 3.577 2.776 ( 1.396 3.597 -0.169) 3.862 2.837 ( -2.401 1.946 0.744) 3.179 2.896 ( -3.729 -3.871 -1.555) 5.595 2.929 ( -2.062 -5.767 0.541) 6.149 2.949 ( -0.784 1.731 1.952) 2.725 2.993 ( -0.274 -4.300 -2.978) 5.238 3.058 ( 2.584 -2.175 3.202) 4.654 3.142 ( -0.845 -7.918 1.641) 8.130 3.230 ( 2.001 1.627 0.244) 2.591 3.309 ( -1.397 -5.554 -0.010) 5.726 3.382 ( -2.534 -1.742 -1.578) 3.456 3.389 ( -3.608 -2.016 -2.812) 4.999 3.588 ( 0.893 0.048 1.874) 2.076 3.617 ( 0.711 -0.103 2.352) 2.459 3.643 ( -3.063 -0.313 1.879) 3.607 3.716 ( -3.625 -5.190 1.754) 6.569 3.988 ( 1.462 1.713 -0.359) 2.280 4.022 ( 0.340 -0.976 -0.558) 1.175 4.503 ( -1.423 -0.281 -0.903) 1.708 4.535 ( -1.639 -2.714 -2.387) 3.969 4.873 ( -1.278 0.434 -2.182) 2.565 4.910 ( -0.973 -3.202 -3.644) 4.948 5.065 ( -2.191 0.595 4.934) 5.431 5.089 ( -2.636 -1.645 5.678) 6.472 5.430 ( -0.083 2.102 -3.482) 4.068 5.490 ( 0.716 -3.767 -2.255) 4.449 5.979 ( 1.878 1.311 -1.216) 2.593 5.989 ( 2.661 0.678 0.424) 2.779 6.162 ( -6.581 5.430 -3.526) 9.232 6.218 ( -6.839 -0.457 -4.858) 8.401 6.452 ( 0.939 3.003 7.603) 8.229 6.521 ( -5.549 -3.177 8.807) 10.883 7.156 ( 0.274 6.994 -6.474) 9.535 7.279 ( 4.543 -2.070 -7.936) 9.376 7.515 ( -1.050 -1.489 4.953) 5.278 7.588 ( 1.171 -6.155 4.933) 7.974 8.154 ( 1.168 5.541 -1.659) 5.901 8.262 ( 2.156 -4.634 -0.114) 5.113 11.740 ( 0.123 0.756 0.039) 0.767 11.761 ( 0.162 -1.136 0.328) 1.194 13.055 ( -7.184 4.940 1.359) 8.824 13.077 ( -7.569 3.084 1.330) 8.281 13.533 ( -4.696 4.403 -3.584) 7.368 13.679 ( -3.413 -9.952 -1.168) 10.585 14.882 ( 1.517 2.501 -0.313) 2.942 14.922 ( 1.031 -1.209 0.296) 1.616 15.109 ( 2.119 3.240 1.538) 4.165 15.179 ( 3.945 -3.199 0.617) 5.117 15.336 ( 3.962 7.650 0.169) 8.617 15.541 ( 6.333 -11.769 -0.938) 13.398 15.942 ( -1.419 1.275 0.143) 1.913 15.978 ( -1.287 -2.244 1.153) 2.832 16.371 ( 1.093 3.066 -0.014) 3.255 16.447 ( 1.680 -4.091 -0.907) 4.514 ======================= Grid point 90 (48/72) ======================= q-point: ( 0.38 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 3.255 1.548 -2.428) 4.345 0.972 ( 2.814 -0.008 -1.063) 3.009 1.259 ( 1.855 2.616 1.563) 3.568 1.278 ( 3.893 1.272 0.560) 4.134 1.387 ( 0.237 -1.521 3.113) 3.473 1.409 ( 1.955 -2.206 0.942) 3.094 1.603 ( 4.230 6.029 1.688) 7.555 1.641 ( 8.218 4.820 -5.937) 11.225 1.728 ( 6.628 -1.026 -6.156) 9.104 1.759 ( 1.614 -0.951 0.887) 2.073 1.802 ( -0.221 2.308 -0.294) 2.337 1.814 ( 3.096 -0.393 2.831) 4.214 1.833 ( 1.055 0.510 2.669) 2.915 1.887 ( -0.911 -2.707 2.129) 3.562 2.050 ( 3.491 7.595 -0.519) 8.375 2.103 ( 1.429 1.782 -2.210) 3.179 2.157 ( -2.401 2.223 -1.133) 3.462 2.187 ( -2.183 3.329 0.491) 4.011 2.211 ( 0.080 2.416 -0.195) 2.425 2.268 ( -0.416 7.779 -2.716) 8.250 2.281 ( 3.121 10.218 2.811) 11.048 2.294 ( 0.977 4.591 1.938) 5.078 2.323 ( 0.016 0.670 -0.198) 0.699 2.389 ( 0.184 6.497 2.683) 7.031 2.487 ( -1.994 0.267 -0.126) 2.016 2.543 ( 0.711 -5.471 -2.263) 5.963 2.584 ( -1.181 3.514 0.885) 3.811 2.629 ( 4.075 -2.510 1.770) 5.103 2.669 ( -1.120 -0.511 1.856) 2.227 2.714 ( -2.310 -1.515 0.159) 2.768 2.742 ( -0.516 -2.172 -4.932) 5.413 2.823 ( 0.949 1.644 0.438) 1.948 2.842 ( -3.113 -5.847 -0.565) 6.648 2.884 ( -2.098 -3.040 0.526) 3.731 2.955 ( 0.429 -3.561 -2.328) 4.276 2.976 ( 3.465 -3.205 -2.645) 5.411 3.094 ( -0.073 1.811 2.795) 3.331 3.156 ( -1.585 -0.792 -1.823) 2.542 3.249 ( -0.136 -2.734 0.025) 2.737 3.265 ( -3.484 -1.402 -3.184) 4.923 3.304 ( -1.408 -1.851 3.706) 4.376 3.357 ( -1.419 -5.567 1.612) 5.967 3.585 ( -2.061 2.307 0.037) 3.094 3.596 ( -1.132 0.494 0.860) 1.505 3.670 ( -2.146 -2.806 2.119) 4.119 3.699 ( 0.236 -4.570 1.051) 4.696 3.993 ( 0.496 1.417 -1.342) 2.013 4.012 ( -0.054 -0.224 -1.338) 1.358 4.475 ( -0.717 -1.392 0.178) 1.576 4.486 ( -0.958 -1.611 -0.687) 1.996 4.855 ( 0.683 0.418 -0.676) 1.048 4.891 ( 0.498 -3.230 -0.608) 3.324 5.030 ( -3.879 -0.637 0.670) 3.987 5.048 ( -4.248 -2.355 0.332) 4.869 5.429 ( 1.344 1.604 0.724) 2.214 5.494 ( 0.146 -4.293 0.922) 4.394 5.959 ( -0.076 2.253 -3.761) 4.385 6.019 ( 1.445 -3.494 -0.851) 3.876 6.126 ( 2.180 5.009 2.021) 5.825 6.170 ( 2.484 1.129 0.020) 2.728 6.427 ( -8.762 3.349 0.265) 9.384 6.480 ( -4.702 -1.547 2.526) 5.557 7.099 ( 0.477 10.314 -2.678) 10.667 7.298 ( 4.008 -5.535 -4.939) 8.432 7.546 ( -0.938 0.662 4.637) 4.777 7.642 ( -0.270 -6.004 3.530) 6.970 8.160 ( 1.495 5.827 -1.337) 6.162 8.281 ( 0.587 -5.345 -0.998) 5.469 11.748 ( 0.469 0.482 0.196) 0.701 11.766 ( 0.205 -1.089 -0.022) 1.109 12.935 ( -6.491 4.277 0.739) 7.809 12.945 ( -7.153 3.442 0.465) 7.951 13.475 ( 0.248 5.203 -0.392) 5.224 13.637 ( -0.591 -10.485 -0.979) 10.548 14.895 ( 0.632 2.189 -1.088) 2.525 14.926 ( 0.036 -0.584 -1.357) 1.477 15.164 ( 1.786 4.443 2.108) 5.232 15.252 ( 2.959 -2.827 1.033) 4.221 15.400 ( 2.351 7.088 1.169) 7.558 15.617 ( 3.303 -12.692 -1.660) 13.219 15.929 ( -0.491 1.418 0.442) 1.565 15.966 ( -0.895 -2.178 0.372) 2.384 16.389 ( 0.654 2.504 0.413) 2.621 16.456 ( 0.631 -3.729 -1.226) 3.976 ======================= Grid point 91 (49/72) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 4.908 2.865 2.247) 6.111 1.059 ( 4.047 -0.274 4.297) 5.909 1.211 ( -4.014 2.923 -4.993) 7.042 1.279 ( -2.185 -3.416 -4.067) 5.744 1.387 ( -3.814 2.947 2.552) 5.454 1.433 ( -2.509 -1.052 3.283) 4.264 1.609 ( -0.963 5.708 -3.708) 6.874 1.681 ( 2.098 -0.067 -5.374) 5.770 1.757 ( 1.876 1.332 0.944) 2.487 1.807 ( 0.521 -0.912 4.882) 4.994 1.847 ( 2.749 2.655 1.501) 4.106 1.904 ( 1.761 -0.654 3.887) 4.317 1.922 ( 3.699 0.999 1.058) 3.975 1.933 ( 1.421 1.565 2.885) 3.577 2.054 ( -3.150 4.630 0.789) 5.655 2.079 ( -0.842 4.852 2.198) 5.393 2.127 ( 1.503 1.241 -3.331) 3.859 2.154 ( 0.623 -0.947 -2.976) 3.184 2.214 ( 0.458 5.171 -0.884) 5.266 2.224 ( -2.137 6.858 -0.995) 7.252 2.274 ( -0.586 7.618 -1.048) 7.712 2.313 ( -1.448 0.405 0.006) 1.503 2.372 ( -1.277 3.357 2.672) 4.476 2.399 ( -0.671 3.028 1.220) 3.332 2.464 ( -2.695 3.645 -1.026) 4.648 2.502 ( 3.224 6.592 -0.284) 7.343 2.593 ( -1.179 -1.462 -0.212) 1.891 2.634 ( 0.297 -4.592 1.693) 4.903 2.683 ( -2.883 -3.287 0.493) 4.400 2.712 ( 1.050 -5.727 -4.582) 7.409 2.727 ( 2.724 2.114 -0.593) 3.499 2.776 ( 0.497 -0.771 0.367) 0.988 2.872 ( 0.024 -1.598 1.838) 2.436 2.884 ( 0.861 -2.774 1.175) 3.133 2.962 ( 2.849 -1.569 -2.603) 4.166 3.009 ( -3.544 -0.993 -3.677) 5.203 3.018 ( -0.267 -0.185 -1.481) 1.516 3.125 ( -1.104 -3.085 -3.033) 4.465 3.225 ( 2.218 -0.225 2.224) 3.149 3.276 ( 0.413 -5.202 2.322) 5.712 3.314 ( -0.032 -1.539 2.123) 2.622 3.347 ( -1.474 -3.733 0.222) 4.019 3.552 ( -1.090 0.545 -0.943) 1.541 3.586 ( 0.466 -1.069 -2.645) 2.891 3.628 ( -2.422 -0.595 2.326) 3.410 3.690 ( -1.052 -4.652 -0.795) 4.835 3.990 ( 0.445 0.802 -1.123) 1.450 4.001 ( 0.203 -0.480 -1.277) 1.380 4.487 ( 0.707 -0.770 1.676) 1.975 4.504 ( 1.817 -1.668 1.672) 2.979 4.876 ( 1.104 0.763 0.899) 1.615 4.906 ( 1.178 -2.193 0.573) 2.555 4.967 ( -2.555 -1.928 -0.913) 3.328 4.984 ( -1.016 -3.576 -2.697) 4.593 5.473 ( 1.211 0.538 2.865) 3.157 5.508 ( 0.212 -2.528 1.401) 2.898 5.976 ( 3.830 5.038 0.687) 6.365 6.086 ( 4.161 -5.119 5.047) 8.306 6.138 ( -3.530 5.583 -3.662) 7.553 6.213 ( -1.072 -0.506 0.339) 1.233 6.273 ( -2.483 4.842 -2.581) 6.022 6.371 ( -3.991 -4.624 -4.631) 7.665 7.142 ( 3.618 10.612 2.368) 11.459 7.311 ( 2.441 -2.910 -5.342) 6.555 7.563 ( -2.337 0.154 5.368) 5.857 7.643 ( -2.117 -5.332 1.623) 5.962 8.185 ( 1.431 3.198 0.514) 3.541 8.265 ( -0.369 -4.013 -2.445) 4.713 11.755 ( -0.110 0.290 0.229) 0.385 11.766 ( -0.100 -0.743 -0.232) 0.785 12.868 ( -0.761 3.888 -0.031) 3.962 12.876 ( 0.114 3.135 -0.293) 3.151 13.510 ( 1.636 2.869 2.866) 4.373 13.621 ( -0.261 -7.829 -1.610) 7.997 14.888 ( 0.064 1.475 -1.387) 2.026 14.904 ( -0.333 0.000 -2.182) 2.207 15.202 ( -0.430 5.593 2.847) 6.291 15.290 ( 0.306 0.168 0.265) 0.439 15.443 ( 0.208 2.329 3.272) 4.022 15.621 ( -0.141 -11.765 -3.246) 12.206 15.929 ( -0.148 0.966 0.691) 1.197 15.954 ( -0.469 -1.495 -0.213) 1.581 16.399 ( -0.184 1.781 0.728) 1.933 16.452 ( 0.566 -3.186 -1.395) 3.524 ======================= Grid point 92 (50/72) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -5.290 5.096 -5.740) 9.323 1.089 ( -4.009 0.370 -0.813) 4.107 1.193 ( 1.342 -0.572 0.598) 1.576 1.220 ( 0.860 -2.580 2.941) 4.005 1.302 ( -7.045 4.696 4.343) 9.515 1.373 ( -5.237 -1.759 2.042) 5.890 1.529 ( -3.647 5.477 -3.347) 7.382 1.625 ( -2.827 -3.180 -4.193) 5.974 1.776 ( -1.730 2.725 1.015) 3.384 1.819 ( -7.275 3.739 1.416) 8.301 1.846 ( -0.981 -1.245 1.925) 2.494 1.884 ( -5.647 -1.015 1.094) 5.841 1.956 ( -0.734 3.825 2.458) 4.606 1.971 ( 2.968 3.085 -1.065) 4.411 2.075 ( -2.982 1.172 -3.764) 4.943 2.098 ( 0.168 -0.016 1.394) 1.405 2.112 ( -1.717 -1.687 -6.746) 7.163 2.121 ( 2.797 -1.181 0.984) 3.192 2.174 ( 1.243 5.075 1.569) 5.455 2.210 ( -1.454 2.158 1.772) 3.148 2.294 ( 1.504 10.014 0.716) 10.152 2.297 ( 0.572 6.710 -1.091) 6.822 2.366 ( -0.598 5.222 1.267) 5.407 2.411 ( -0.016 8.365 1.481) 8.495 2.441 ( 1.769 0.515 1.026) 2.109 2.532 ( -1.766 1.236 1.546) 2.652 2.574 ( -0.692 -2.882 -1.820) 3.479 2.592 ( -3.168 1.108 0.345) 3.374 2.665 ( -1.358 -3.270 0.845) 3.640 2.724 ( 0.698 1.211 -3.071) 3.374 2.750 ( 2.781 -1.410 -0.366) 3.139 2.809 ( 2.547 0.750 -1.966) 3.304 2.858 ( 0.124 2.542 -0.294) 2.562 2.883 ( -0.023 -1.012 1.189) 1.561 2.935 ( -0.924 -4.921 -0.236) 5.013 3.011 ( 0.595 -6.493 -2.136) 6.861 3.038 ( 1.563 -1.599 2.375) 3.262 3.062 ( 0.639 -5.881 -2.634) 6.476 3.264 ( -3.057 -0.829 0.112) 3.169 3.302 ( 1.179 -3.161 -0.044) 3.374 3.347 ( 5.799 -0.033 1.022) 5.889 3.379 ( 3.160 -2.792 1.757) 4.569 3.537 ( 0.176 -0.068 -0.916) 0.935 3.579 ( 1.386 -3.435 -0.362) 3.722 3.652 ( 1.262 -0.414 3.843) 4.066 3.685 ( 0.738 -3.136 0.821) 3.324 3.982 ( -0.466 0.122 -1.256) 1.346 3.990 ( -0.244 -0.635 -1.409) 1.564 4.511 ( 0.426 0.315 0.282) 0.600 4.545 ( 1.403 -2.641 -0.584) 3.047 4.885 ( -0.274 1.247 -1.491) 1.962 4.925 ( -0.172 -2.917 -1.696) 3.378 4.948 ( 2.500 -0.334 0.818) 2.652 4.992 ( 2.647 -4.458 2.141) 5.609 5.503 ( -0.130 1.258 0.616) 1.407 5.535 ( 1.474 -1.941 0.852) 2.582 5.987 ( -5.001 5.114 -4.397) 8.397 6.057 ( -1.557 4.069 1.221) 4.525 6.111 ( -2.294 0.603 -2.288) 3.295 6.233 ( 4.322 -5.301 2.126) 7.162 6.285 ( 3.134 3.886 0.854) 5.065 6.362 ( 6.037 -4.113 2.343) 7.671 7.225 ( 2.816 7.133 0.642) 7.695 7.269 ( 0.257 3.486 -8.389) 9.088 7.570 ( -3.062 -1.717 5.024) 6.129 7.621 ( -2.142 -6.018 3.653) 7.358 8.187 ( -1.902 2.050 -1.130) 3.016 8.245 ( 0.844 -3.242 -1.235) 3.570 11.751 ( -0.477 0.262 0.347) 0.645 11.759 ( -0.419 -0.522 -0.172) 0.691 12.924 ( 6.527 4.767 0.654) 8.109 12.946 ( 7.525 2.729 0.482) 8.019 13.566 ( 1.079 -1.526 2.299) 2.963 13.589 ( -0.288 -3.663 -3.608) 5.149 14.877 ( -0.138 0.800 -0.662) 1.047 14.880 ( -0.286 0.573 -1.323) 1.470 15.196 ( -3.352 6.023 2.797) 7.439 15.267 ( -2.199 2.238 -0.967) 3.284 15.460 ( -3.071 -2.970 4.796) 6.423 15.559 ( -2.435 -9.357 -4.443) 10.641 15.936 ( 0.065 0.456 0.698) 0.837 15.950 ( 0.411 -0.847 0.120) 0.949 16.396 ( -0.921 1.699 0.679) 2.048 16.447 ( 0.191 -3.136 -1.484) 3.475 ======================= Grid point 93 (51/72) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.901 6.120 -3.800) 7.766 0.966 ( -4.684 0.890 -2.179) 5.242 1.094 ( -9.622 2.074 1.628) 9.977 1.168 ( -8.045 -4.849 2.350) 9.683 1.296 ( -3.476 4.219 2.206) 5.895 1.364 ( -0.178 -1.704 2.252) 2.830 1.474 ( -0.812 2.389 0.634) 2.602 1.539 ( -1.491 -2.809 -2.334) 3.945 1.695 ( -6.515 3.650 -1.654) 7.649 1.699 ( -6.570 3.255 -0.889) 7.386 1.787 ( -4.328 -1.477 0.335) 4.585 1.803 ( -3.912 -2.845 -2.871) 5.625 1.939 ( -2.643 4.129 -3.747) 6.170 1.959 ( -1.568 3.532 1.338) 4.089 1.997 ( -1.699 0.438 1.846) 2.547 2.036 ( -0.669 -3.220 -2.800) 4.320 2.085 ( -1.909 3.584 0.392) 4.079 2.149 ( -4.585 2.351 -1.333) 5.322 2.174 ( -1.724 0.968 -1.556) 2.517 2.195 ( -3.878 10.943 2.782) 11.938 2.208 ( -4.977 2.300 0.868) 5.551 2.363 ( 2.982 7.034 0.931) 7.696 2.379 ( 1.746 6.743 -1.269) 7.080 2.444 ( 2.587 6.168 -0.213) 6.692 2.486 ( 1.686 -0.467 -0.191) 1.760 2.538 ( 2.414 0.480 2.741) 3.684 2.556 ( 1.503 2.297 2.022) 3.409 2.603 ( 0.259 -4.392 0.409) 4.418 2.614 ( -2.844 1.168 -1.102) 3.266 2.735 ( 2.699 4.478 0.050) 5.229 2.777 ( -0.748 -1.420 -1.251) 2.035 2.843 ( 3.657 -9.076 2.832) 10.187 2.855 ( -1.339 0.089 -3.008) 3.293 2.907 ( 2.539 -4.081 -1.399) 5.006 2.948 ( 2.847 0.448 2.771) 3.998 2.996 ( 1.400 -5.833 -3.005) 6.709 3.074 ( -0.115 -3.434 1.807) 3.882 3.115 ( 1.904 -5.200 3.959) 6.807 3.231 ( 0.969 1.789 -2.256) 3.037 3.313 ( 0.462 -4.634 -2.048) 5.087 3.426 ( 2.416 0.032 -0.435) 2.455 3.449 ( 3.164 -1.858 -0.776) 3.750 3.559 ( 2.029 2.548 2.150) 3.903 3.626 ( 3.306 -2.817 1.487) 4.591 3.712 ( 0.942 -1.249 2.658) 3.084 3.736 ( 2.601 -2.217 2.871) 4.463 3.944 ( -2.503 0.034 -0.658) 2.588 3.954 ( -2.160 -0.824 -1.611) 2.818 4.503 ( -0.498 0.097 -1.100) 1.212 4.537 ( -0.391 -3.323 -2.100) 3.950 4.859 ( 0.287 1.601 -3.130) 3.527 4.902 ( 0.019 -2.967 -2.319) 3.766 5.046 ( 5.105 1.143 5.094) 7.301 5.104 ( 6.131 -4.230 4.618) 8.764 5.473 ( -2.270 3.309 -3.422) 5.274 5.542 ( -1.124 -3.280 -1.916) 3.962 5.924 ( 0.682 1.936 -0.465) 2.104 5.982 ( -2.016 -3.168 -1.105) 3.915 6.079 ( -1.838 8.788 -1.423) 9.090 6.213 ( -0.421 -3.273 -3.994) 5.181 6.493 ( 10.165 3.636 8.161) 13.533 6.560 ( 9.016 -2.817 6.331) 11.371 7.184 ( -0.054 4.980 -8.092) 9.502 7.225 ( -0.740 2.979 -4.742) 5.649 7.545 ( -3.433 -1.568 2.952) 4.792 7.631 ( -3.165 -7.605 5.459) 9.882 8.125 ( -2.285 5.811 -1.902) 6.528 8.245 ( -0.740 -5.346 -0.164) 5.399 11.746 ( -0.304 0.266 -0.125) 0.422 11.755 ( 0.005 -0.546 0.492) 0.735 13.087 ( 9.679 7.077 1.020) 12.034 13.145 ( 12.757 1.784 2.791) 13.180 13.521 ( -0.968 1.263 -6.197) 6.398 13.608 ( 1.587 -7.059 0.297) 7.241 14.862 ( -0.687 1.366 -0.452) 1.594 14.877 ( -0.352 0.006 0.736) 0.816 15.144 ( -4.702 5.147 2.155) 7.297 15.207 ( -3.185 1.325 -0.969) 3.583 15.414 ( -7.100 -4.485 4.424) 9.492 15.462 ( -3.318 -6.789 -4.484) 8.787 15.947 ( 0.958 1.478 0.161) 1.769 15.980 ( 2.038 -1.611 1.145) 2.839 16.379 ( -1.540 1.374 0.393) 2.101 16.423 ( -1.496 -2.844 -1.338) 3.481 ======================= Grid point 94 (52/72) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -3.317 8.723 2.038) 9.553 0.928 ( -1.648 5.811 4.498) 7.531 0.983 ( -0.871 -0.572 -1.714) 2.006 1.068 ( -4.653 -5.874 2.164) 7.800 1.214 ( -5.889 5.570 0.678) 8.134 1.338 ( -4.257 -4.680 0.052) 6.327 1.451 ( 0.381 4.535 -4.579) 6.455 1.511 ( -6.538 2.264 -3.576) 7.788 1.539 ( -1.445 -0.527 -3.110) 3.469 1.600 ( -3.555 -2.335 -0.264) 4.262 1.726 ( -2.710 -2.043 -0.353) 3.412 1.736 ( -1.431 -2.120 3.411) 4.263 1.861 ( -2.341 5.306 -0.305) 5.808 1.918 ( -1.587 0.667 -1.461) 2.258 2.020 ( -0.921 1.087 -0.213) 1.440 2.024 ( -0.585 2.329 -3.164) 3.972 2.054 ( -3.275 3.962 0.390) 5.155 2.067 ( 0.062 0.699 5.870) 5.911 2.088 ( -2.938 10.315 2.070) 10.923 2.152 ( -3.442 1.636 1.689) 4.169 2.164 ( -2.663 -1.713 0.894) 3.290 2.382 ( 0.672 2.739 -2.361) 3.678 2.416 ( 2.494 8.872 -0.056) 9.216 2.489 ( 1.623 5.267 -2.541) 6.069 2.521 ( -2.320 -4.983 -0.986) 5.584 2.539 ( 3.127 2.330 -1.184) 4.075 2.562 ( 0.471 0.694 0.130) 0.849 2.607 ( -0.053 -0.248 1.389) 1.412 2.677 ( 3.422 0.634 3.781) 5.139 2.746 ( -0.667 5.595 -1.118) 5.745 2.785 ( 1.491 -0.143 0.088) 1.501 2.844 ( 1.562 0.925 1.314) 2.241 2.921 ( 0.996 -6.235 2.407) 6.757 2.937 ( 1.707 -2.695 -0.930) 3.323 2.995 ( 1.491 -5.595 -2.489) 6.303 3.028 ( 2.805 -2.982 2.876) 5.003 3.059 ( -2.677 -2.086 0.152) 3.397 3.169 ( -0.562 -8.154 3.409) 8.856 3.249 ( 3.331 -0.294 -3.350) 4.734 3.279 ( 0.419 -1.502 -4.330) 4.602 3.431 ( -0.468 0.898 -1.669) 1.952 3.470 ( 1.611 -2.762 -2.453) 4.030 3.627 ( 1.891 3.693 1.672) 4.473 3.704 ( 2.388 0.699 0.804) 2.615 3.716 ( -0.647 -1.738 -1.839) 2.611 3.785 ( 0.859 -3.490 1.064) 3.748 3.904 ( -1.824 -0.550 1.090) 2.194 3.913 ( -2.003 -0.893 2.996) 3.713 4.493 ( -0.065 -0.746 0.800) 1.096 4.514 ( -0.582 -3.057 -0.022) 3.112 4.853 ( 1.449 0.832 -0.356) 1.708 4.891 ( 0.874 -2.642 -1.113) 2.997 5.205 ( 6.470 3.048 3.238) 7.851 5.270 ( 6.692 -2.660 1.403) 7.337 5.364 ( -3.951 3.056 -2.741) 5.697 5.445 ( -5.608 -4.422 -4.323) 8.348 5.949 ( 0.228 1.978 -0.557) 2.068 5.974 ( 1.112 -1.341 0.908) 1.965 6.072 ( 0.625 6.877 3.801) 7.882 6.202 ( 1.790 -4.383 1.047) 4.849 6.669 ( 3.820 8.051 -1.398) 9.020 6.771 ( 7.312 -1.729 4.141) 8.579 7.124 ( -2.843 2.599 -4.468) 5.899 7.155 ( 4.508 -0.877 -7.657) 8.929 7.516 ( -2.887 -2.239 3.417) 5.003 7.584 ( -6.459 -7.334 3.344) 10.329 8.094 ( -0.432 6.818 0.625) 6.861 8.216 ( -1.718 -5.016 -0.487) 5.324 11.741 ( -0.001 0.769 -0.057) 0.771 11.763 ( 0.231 -1.192 0.267) 1.243 13.220 ( 4.036 9.083 -1.735) 10.090 13.360 ( 5.212 -4.162 -6.644) 9.414 13.497 ( 5.687 7.155 5.090) 10.462 13.668 ( 5.711 -9.201 0.747) 10.856 14.842 ( -1.266 1.979 0.009) 2.349 14.870 ( -1.400 -0.587 0.728) 1.683 15.089 ( -3.313 3.353 1.984) 5.114 15.147 ( -3.039 -0.826 0.269) 3.161 15.312 ( -7.214 -1.497 2.828) 7.892 15.372 ( -1.740 -5.540 -3.785) 6.932 15.970 ( 1.287 2.563 0.047) 2.869 16.028 ( 1.991 -2.988 0.211) 3.597 16.353 ( -1.284 0.661 0.133) 1.450 16.378 ( -2.301 -1.702 -0.048) 2.863 ======================= Grid point 119 (53/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -6.515 0.000 -11.206) 12.963 0.611 ( 6.515 0.000 11.206) 12.963 0.692 ( 5.355 0.000 -12.022) 13.160 0.692 ( -5.355 0.000 12.022) 13.160 1.068 ( -0.801 0.000 -1.911) 2.072 1.068 ( 0.801 0.000 1.911) 2.072 1.319 ( -3.496 0.000 -4.974) 6.080 1.319 ( 3.496 0.000 4.974) 6.080 1.353 ( -1.195 0.000 -17.698) 17.738 1.353 ( 1.195 0.000 17.698) 17.738 1.537 ( -4.235 0.000 -0.608) 4.279 1.537 ( 4.235 0.000 0.608) 4.279 1.689 ( -0.997 0.000 0.123) 1.005 1.689 ( 0.997 0.000 -0.123) 1.005 1.883 ( -5.938 0.000 -2.211) 6.336 1.883 ( 5.938 0.000 2.211) 6.336 1.961 ( -4.025 0.000 -0.895) 4.123 1.961 ( 4.025 0.000 0.895) 4.123 2.088 ( 2.925 0.000 -3.036) 4.216 2.088 ( -2.925 0.000 3.036) 4.216 2.165 ( -0.646 0.000 -1.938) 2.042 2.165 ( 0.646 0.000 1.938) 2.042 2.330 ( -5.645 0.000 0.566) 5.673 2.330 ( 5.645 0.000 -0.566) 5.673 2.418 ( -3.325 0.000 -5.761) 6.652 2.418 ( 3.325 0.000 5.761) 6.652 2.479 ( -4.174 0.000 -7.209) 8.330 2.479 ( 4.174 0.000 7.209) 8.330 2.730 ( -1.944 0.000 -3.291) 3.822 2.730 ( 1.944 0.000 3.291) 3.822 2.829 ( 1.272 0.000 -2.380) 2.699 2.829 ( -1.272 0.000 2.380) 2.699 2.873 ( -1.058 0.000 -2.778) 2.973 2.873 ( 1.058 0.000 2.778) 2.973 3.143 ( -3.290 0.000 -4.717) 5.751 3.143 ( 3.290 0.000 4.717) 5.751 3.260 ( 2.510 0.000 -1.692) 3.027 3.260 ( -2.510 0.000 1.692) 3.027 3.409 ( -4.966 0.000 -0.494) 4.990 3.409 ( 4.966 0.000 0.494) 4.990 3.638 ( 0.842 0.000 -6.417) 6.472 3.638 ( -0.842 0.000 6.417) 6.472 3.725 ( 1.615 0.000 -2.109) 2.656 3.725 ( -1.615 0.000 2.109) 2.656 3.898 ( -8.065 0.000 -8.350) 11.609 3.898 ( 8.065 0.000 8.350) 11.609 3.992 ( -1.823 0.000 -0.707) 1.955 3.992 ( 1.823 0.000 0.707) 1.955 4.732 ( 0.544 0.000 -5.186) 5.214 4.732 ( -0.544 0.000 5.186) 5.214 4.997 ( -3.332 0.000 -5.700) 6.603 4.997 ( 3.332 0.000 5.700) 6.603 5.150 ( 1.359 0.000 -0.572) 1.474 5.150 ( -1.359 0.000 0.572) 1.474 5.398 ( 7.780 0.000 -8.664) 11.645 5.398 ( -7.780 0.000 8.664) 11.645 5.828 ( 0.858 0.000 -2.036) 2.209 5.828 ( -0.858 0.000 2.036) 2.209 6.115 ( -1.648 0.000 -0.363) 1.688 6.115 ( 1.648 0.000 0.363) 1.688 6.892 ( -4.789 0.000 -4.749) 6.745 6.892 ( 4.789 0.000 4.749) 6.745 6.963 ( -21.811 0.000 0.844) 21.828 6.963 ( 21.811 0.000 -0.844) 21.828 7.789 ( -7.702 0.000 -3.152) 8.322 7.789 ( 7.702 0.000 3.152) 8.322 8.032 ( -13.910 0.000 0.556) 13.921 8.032 ( 13.910 0.000 -0.556) 13.921 11.805 ( -0.300 0.000 -0.157) 0.338 11.805 ( 0.300 0.000 0.157) 0.338 12.580 ( 0.160 0.000 -0.632) 0.652 12.580 ( -0.160 0.000 0.632) 0.652 14.203 ( -29.123 0.000 -1.882) 29.184 14.203 ( 29.123 0.000 1.882) 29.184 14.729 ( -0.258 0.000 -0.010) 0.258 14.729 ( 0.258 0.000 0.010) 0.258 15.066 ( -0.897 0.000 -2.364) 2.528 15.066 ( 0.897 0.000 2.364) 2.528 15.645 ( -19.722 0.000 1.712) 19.796 15.645 ( 19.722 0.000 -1.712) 19.796 16.095 ( -0.927 0.000 -4.626) 4.718 16.095 ( 0.927 0.000 4.626) 4.718 16.425 ( 5.407 0.000 -2.144) 5.817 16.425 ( -5.407 0.000 2.144) 5.817 ======================= Grid point 121 (54/72) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 3.234 0.000 -11.727) 12.165 0.648 ( 3.668 0.000 -18.742) 19.098 0.770 ( 2.322 0.000 9.772) 10.044 0.851 ( 8.120 0.000 9.537) 12.525 1.115 ( 17.602 0.000 -17.920) 25.119 1.165 ( 6.875 0.000 -1.409) 7.018 1.189 ( -4.118 0.000 -0.321) 4.130 1.278 ( 4.238 0.000 -3.263) 5.349 1.359 ( -1.790 0.000 2.449) 3.033 1.416 ( 1.311 0.000 4.179) 4.380 1.611 ( 2.013 0.000 -1.697) 2.633 1.647 ( 4.132 0.000 8.405) 9.366 1.688 ( -0.450 0.000 -2.747) 2.784 1.695 ( 0.921 0.000 1.862) 2.077 1.811 ( -2.051 0.000 4.138) 4.618 1.894 ( -2.441 0.000 -0.225) 2.451 1.976 ( -0.660 0.000 -5.684) 5.723 1.980 ( -2.537 0.000 -4.111) 4.831 2.038 ( 0.911 0.000 -0.623) 1.103 2.107 ( 0.748 0.000 3.330) 3.413 2.122 ( -4.187 0.000 1.156) 4.344 2.215 ( 0.970 0.000 10.649) 10.693 2.274 ( 0.147 0.000 -0.494) 0.515 2.358 ( -0.893 0.000 5.304) 5.379 2.386 ( 1.429 0.000 0.604) 1.552 2.411 ( 0.426 0.000 -7.187) 7.199 2.535 ( 7.204 0.000 0.946) 7.266 2.594 ( -6.073 0.000 -4.111) 7.334 2.683 ( 1.094 0.000 4.961) 5.081 2.738 ( 3.744 0.000 7.172) 8.090 2.810 ( -2.761 0.000 0.848) 2.888 2.815 ( -0.295 0.000 -3.419) 3.432 2.883 ( -0.912 0.000 4.102) 4.202 2.926 ( -4.259 0.000 3.769) 5.687 3.094 ( 2.677 0.000 -1.239) 2.950 3.247 ( -0.449 0.000 1.638) 1.698 3.266 ( 3.239 0.000 3.190) 4.546 3.290 ( 0.732 0.000 0.316) 0.797 3.383 ( 5.852 0.000 1.524) 6.048 3.451 ( -1.256 0.000 -5.043) 5.197 3.584 ( -0.531 0.000 -8.812) 8.828 3.643 ( -1.980 0.000 0.484) 2.039 3.684 ( -4.019 0.000 -1.821) 4.413 3.692 ( -2.577 0.000 -3.070) 4.008 3.739 ( 0.875 0.000 0.610) 1.067 3.999 ( 1.027 0.000 2.741) 2.927 4.024 ( 2.717 0.000 -0.185) 2.723 4.089 ( -0.548 0.000 8.418) 8.436 4.665 ( -2.197 0.000 -5.311) 5.748 4.752 ( -0.741 0.000 3.880) 3.950 4.878 ( -2.976 0.000 -5.335) 6.109 5.077 ( 0.976 0.000 3.349) 3.488 5.156 ( 2.068 0.000 -0.929) 2.267 5.195 ( 2.336 0.000 1.519) 2.787 5.357 ( -3.635 0.000 5.736) 6.791 5.467 ( 8.642 0.000 -7.696) 11.572 5.811 ( -0.061 0.000 -3.151) 3.152 5.824 ( -1.459 0.000 1.672) 2.219 6.072 ( -3.329 0.000 0.761) 3.415 6.141 ( 0.778 0.000 1.099) 1.346 6.476 ( -20.016 0.000 -12.629) 23.667 6.756 ( -5.925 0.000 -3.016) 6.649 6.976 ( 0.607 0.000 0.753) 0.967 7.152 ( 4.897 0.000 -7.096) 8.622 7.634 ( -6.261 0.000 1.142) 6.364 7.925 ( 5.496 0.000 1.491) 5.695 7.931 ( -2.165 0.000 5.179) 5.613 8.334 ( 10.237 0.000 8.219) 13.128 11.811 ( 0.881 0.000 0.017) 0.882 11.820 ( 1.113 0.000 -0.001) 1.113 12.559 ( -1.832 0.000 -0.351) 1.865 12.562 ( -2.438 0.000 0.488) 2.487 13.600 ( -20.439 0.000 -16.729) 26.413 14.520 ( 10.358 0.000 -10.507) 14.755 14.733 ( 0.754 0.000 -0.069) 0.757 14.743 ( 1.362 0.000 -0.210) 1.379 15.023 ( -1.263 0.000 -1.179) 1.728 15.044 ( -5.359 0.000 2.198) 5.792 15.459 ( -4.584 0.000 10.415) 11.379 15.861 ( 3.484 0.000 0.367) 3.503 16.069 ( 0.687 0.000 -2.858) 2.940 16.227 ( 4.072 0.000 7.431) 8.474 16.390 ( -1.903 0.000 3.163) 3.691 16.553 ( 6.966 0.000 2.428) 7.377 ======================= Grid point 122 (55/72) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 12.770 0.000 -4.956) 13.698 0.587 ( 9.327 0.000 -10.923) 14.363 0.912 ( 4.486 0.000 4.497) 6.351 1.052 ( 6.759 0.000 1.258) 6.875 1.159 ( 2.299 0.000 5.361) 5.834 1.211 ( -1.815 0.000 5.341) 5.641 1.337 ( 9.893 0.000 -3.804) 10.599 1.378 ( 13.701 0.000 -5.081) 14.613 1.443 ( 6.913 0.000 -0.792) 6.958 1.472 ( 0.513 0.000 2.449) 2.503 1.624 ( -2.900 0.000 0.209) 2.908 1.654 ( 5.756 0.000 -2.369) 6.225 1.677 ( -3.979 0.000 -1.030) 4.110 1.760 ( 5.621 0.000 -2.520) 6.160 1.808 ( -3.918 0.000 4.318) 5.831 1.821 ( -4.937 0.000 -3.485) 6.043 1.863 ( -2.381 0.000 -1.320) 2.723 1.950 ( 2.107 0.000 -0.912) 2.296 2.074 ( -0.487 0.000 3.812) 3.843 2.096 ( -0.691 0.000 4.011) 4.070 2.123 ( 0.676 0.000 -1.358) 1.517 2.292 ( -1.096 0.000 2.104) 2.373 2.300 ( -0.641 0.000 -1.724) 1.839 2.360 ( 2.952 0.000 -2.397) 3.802 2.396 ( -0.118 0.000 3.533) 3.535 2.474 ( 5.917 0.000 0.549) 5.943 2.486 ( -2.392 0.000 -2.370) 3.367 2.637 ( -4.044 0.000 0.707) 4.105 2.645 ( 1.012 0.000 1.545) 1.847 2.766 ( -0.637 0.000 -4.512) 4.557 2.779 ( -3.019 0.000 2.155) 3.709 2.842 ( -2.491 0.000 3.799) 4.542 2.891 ( -2.235 0.000 4.731) 5.233 2.938 ( 4.924 0.000 6.065) 7.812 3.128 ( -0.231 0.000 -0.561) 0.607 3.208 ( -7.358 0.000 -7.944) 10.828 3.285 ( -0.942 0.000 2.947) 3.093 3.310 ( 1.713 0.000 -2.793) 3.277 3.337 ( -0.764 0.000 2.298) 2.421 3.454 ( -2.387 0.000 -4.922) 5.470 3.552 ( 4.271 0.000 5.874) 7.262 3.600 ( 0.319 0.000 -4.912) 4.922 3.611 ( -1.378 0.000 0.222) 1.395 3.728 ( -2.901 0.000 -0.354) 2.923 3.767 ( 4.504 0.000 3.603) 5.768 3.984 ( -10.461 0.000 -4.609) 11.431 4.040 ( 0.451 0.000 1.624) 1.685 4.057 ( 1.956 0.000 -1.139) 2.264 4.570 ( -3.618 0.000 -2.225) 4.247 4.787 ( -2.762 0.000 5.818) 6.440 4.822 ( 1.169 0.000 -2.578) 2.830 5.105 ( -0.476 0.000 1.011) 1.117 5.212 ( 6.087 0.000 -2.440) 6.558 5.249 ( 1.815 0.000 3.379) 3.836 5.425 ( 3.484 0.000 6.738) 7.586 5.543 ( 6.614 0.000 -5.954) 8.899 5.775 ( -0.176 0.000 -2.983) 2.989 5.811 ( -1.644 0.000 1.380) 2.147 6.016 ( -4.230 0.000 2.045) 4.699 6.167 ( -2.757 0.000 -6.583) 7.137 6.199 ( 0.799 0.000 4.916) 4.981 6.645 ( -4.813 0.000 0.613) 4.852 6.898 ( -5.271 0.000 -6.895) 8.679 7.093 ( -2.606 0.000 -7.183) 7.641 7.606 ( -1.357 0.000 6.335) 6.479 8.005 ( 3.050 0.000 6.800) 7.452 8.005 ( 3.729 0.000 -3.038) 4.810 8.436 ( -2.337 0.000 0.487) 2.388 11.819 ( 0.359 0.000 -0.837) 0.910 11.838 ( 1.032 0.000 -0.411) 1.111 12.510 ( -3.463 0.000 0.382) 3.484 12.513 ( -2.649 0.000 -0.463) 2.689 13.374 ( 2.537 0.000 0.558) 2.598 14.416 ( -6.204 0.000 -12.491) 13.947 14.759 ( 1.828 0.000 -0.038) 1.828 14.767 ( 1.442 0.000 -0.350) 1.484 15.005 ( -0.225 0.000 0.182) 0.289 15.008 ( 0.244 0.000 -0.381) 0.452 15.578 ( 2.944 0.000 12.470) 12.813 15.876 ( -0.173 0.000 -0.019) 0.174 16.050 ( 0.193 0.000 -2.874) 2.881 16.299 ( -0.189 0.000 0.975) 0.993 16.406 ( -0.404 0.000 4.194) 4.214 16.595 ( -1.232 0.000 -3.835) 4.029 ======================= Grid point 123 (56/72) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 8.673 0.000 3.831) 9.481 0.765 ( 14.421 0.000 0.923) 14.450 1.006 ( 2.450 0.000 2.762) 3.692 1.136 ( 5.661 0.000 -4.212) 7.056 1.195 ( -4.488 0.000 2.174) 4.987 1.309 ( -0.710 0.000 3.550) 3.621 1.345 ( 0.093 0.000 3.164) 3.165 1.474 ( -1.414 0.000 0.645) 1.554 1.490 ( -2.444 0.000 2.867) 3.767 1.563 ( 0.071 0.000 -8.030) 8.030 1.580 ( 1.432 0.000 2.602) 2.970 1.650 ( 7.109 0.000 -2.940) 7.693 1.739 ( 12.700 0.000 -6.344) 14.197 1.778 ( -1.610 0.000 4.595) 4.869 1.801 ( -4.890 0.000 9.090) 10.322 1.839 ( 7.547 0.000 -4.739) 8.912 1.878 ( 4.485 0.000 0.909) 4.576 1.967 ( -0.469 0.000 0.263) 0.538 2.096 ( -3.378 0.000 2.755) 4.359 2.100 ( -0.933 0.000 -3.409) 3.535 2.111 ( -0.983 0.000 3.304) 3.447 2.233 ( -2.822 0.000 -6.517) 7.101 2.297 ( 2.354 0.000 4.823) 5.367 2.386 ( -1.581 0.000 1.490) 2.172 2.440 ( 1.673 0.000 2.383) 2.911 2.490 ( 7.294 0.000 -4.016) 8.326 2.512 ( -1.897 0.000 -2.747) 3.339 2.568 ( -1.227 0.000 -5.715) 5.845 2.621 ( -3.380 0.000 3.710) 5.019 2.710 ( -0.297 0.000 -5.194) 5.202 2.713 ( -3.675 0.000 -0.765) 3.754 2.820 ( -8.513 0.000 -4.025) 9.417 2.909 ( -0.836 0.000 3.786) 3.877 2.926 ( -4.431 0.000 -7.336) 8.570 3.106 ( 5.052 0.000 10.944) 12.053 3.179 ( 3.385 0.000 1.933) 3.898 3.277 ( -1.767 0.000 -1.665) 2.428 3.316 ( 0.497 0.000 1.246) 1.342 3.376 ( 1.682 0.000 1.988) 2.604 3.455 ( 1.406 0.000 3.422) 3.699 3.581 ( -1.817 0.000 -0.561) 1.901 3.581 ( 2.170 0.000 -4.438) 4.940 3.610 ( -2.982 0.000 -1.458) 3.319 3.669 ( -3.022 0.000 2.822) 4.135 3.770 ( -4.310 0.000 -5.641) 7.099 3.863 ( 1.590 0.000 2.252) 2.757 4.039 ( -0.554 0.000 -0.276) 0.619 4.071 ( 0.881 0.000 -1.491) 1.732 4.532 ( 0.142 0.000 2.338) 2.342 4.736 ( -5.668 0.000 0.040) 5.668 4.863 ( 3.855 0.000 1.010) 3.985 5.065 ( -3.292 0.000 -2.330) 4.034 5.314 ( 7.896 0.000 -3.761) 8.746 5.322 ( 1.686 0.000 4.762) 5.052 5.529 ( 0.841 0.000 4.753) 4.827 5.570 ( 1.675 0.000 -3.956) 4.296 5.754 ( 0.353 0.000 -1.696) 1.732 5.791 ( -2.157 0.000 1.363) 2.551 5.981 ( -1.551 0.000 2.686) 3.102 6.076 ( -1.850 0.000 -3.586) 4.035 6.353 ( 3.593 0.000 13.648) 14.113 6.614 ( -0.653 0.000 4.394) 4.442 6.713 ( -5.093 0.000 -10.629) 11.786 6.933 ( -5.592 0.000 -10.374) 11.785 7.692 ( 1.124 0.000 11.271) 11.326 7.977 ( -0.117 0.000 -9.788) 9.789 8.137 ( 3.690 0.000 7.234) 8.121 8.353 ( -2.951 0.000 -4.530) 5.406 11.820 ( 0.577 0.000 -0.283) 0.642 11.845 ( 0.262 0.000 -0.817) 0.858 12.460 ( -2.353 0.000 0.556) 2.418 12.467 ( -1.799 0.000 -0.569) 1.886 13.558 ( 6.808 0.000 14.807) 16.297 14.145 ( -8.427 0.000 -15.377) 17.535 14.784 ( 1.056 0.000 -0.182) 1.071 14.785 ( 0.828 0.000 -0.185) 0.849 15.011 ( 0.011 0.000 1.036) 1.036 15.016 ( 1.326 0.000 -1.670) 2.132 15.755 ( 2.700 0.000 12.661) 12.946 15.876 ( 0.428 0.000 -0.465) 0.632 16.031 ( 1.049 0.000 -2.179) 2.418 16.235 ( -4.182 0.000 -5.829) 7.174 16.446 ( -0.381 0.000 5.208) 5.222 16.525 ( 0.395 0.000 -6.332) 6.345 ======================= Grid point 124 (57/72) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -2.421 0.000 -4.784) 5.362 0.900 ( 2.421 0.000 4.784) 5.362 1.110 ( -9.947 0.000 -1.711) 10.093 1.110 ( 9.947 0.000 1.711) 10.093 1.172 ( 1.698 0.000 -7.254) 7.450 1.172 ( -1.698 0.000 7.254) 7.450 1.447 ( -2.897 0.000 -1.534) 3.278 1.447 ( 2.897 0.000 1.534) 3.278 1.477 ( 1.089 0.000 -6.018) 6.116 1.477 ( -1.089 0.000 6.018) 6.116 1.712 ( -6.151 0.000 -5.079) 7.976 1.712 ( 6.151 0.000 5.079) 7.976 1.748 ( 6.287 0.000 -4.085) 7.497 1.748 ( -6.287 0.000 4.085) 7.497 1.913 ( -6.011 0.000 1.455) 6.184 1.913 ( 6.011 0.000 -1.455) 6.184 1.947 ( 0.624 0.000 -1.639) 1.753 1.947 ( -0.624 0.000 1.639) 1.753 2.040 ( 2.338 0.000 -4.281) 4.878 2.040 ( -2.338 0.000 4.281) 4.878 2.142 ( -1.139 0.000 -3.421) 3.606 2.142 ( 1.139 0.000 3.421) 3.606 2.415 ( -3.884 0.000 -3.650) 5.330 2.415 ( 3.884 0.000 3.650) 5.330 2.445 ( -4.373 0.000 -7.880) 9.012 2.445 ( 4.373 0.000 7.880) 9.012 2.551 ( -6.462 0.000 -7.100) 9.600 2.551 ( 6.462 0.000 7.100) 9.600 2.583 ( 7.091 0.000 -5.335) 8.874 2.583 ( -7.091 0.000 5.335) 8.874 2.684 ( 2.514 0.000 -2.031) 3.232 2.684 ( -2.514 0.000 2.031) 3.232 2.905 ( 2.451 0.000 -1.591) 2.922 2.905 ( -2.451 0.000 1.591) 2.922 3.216 ( -3.093 0.000 -1.322) 3.364 3.216 ( 3.093 0.000 1.322) 3.364 3.304 ( -2.529 0.000 -3.113) 4.011 3.304 ( 2.529 0.000 3.113) 4.011 3.469 ( -5.104 0.000 -5.961) 7.847 3.469 ( 5.104 0.000 5.961) 7.847 3.536 ( -4.736 0.000 -3.783) 6.061 3.536 ( 4.736 0.000 3.783) 6.061 3.584 ( 1.977 0.000 -2.854) 3.472 3.584 ( -1.977 0.000 2.854) 3.472 3.820 ( -4.499 0.000 -3.064) 5.443 3.820 ( 4.499 0.000 3.064) 5.443 4.055 ( -0.734 0.000 -2.013) 2.142 4.055 ( 0.734 0.000 2.013) 2.142 4.615 ( -4.972 0.000 -3.671) 6.180 4.615 ( 4.972 0.000 3.671) 6.180 4.962 ( -4.628 0.000 -3.155) 5.601 4.962 ( 4.628 0.000 3.155) 5.601 5.374 ( 3.026 0.000 -6.103) 6.812 5.374 ( -3.026 0.000 6.103) 6.812 5.552 ( 0.315 0.000 -1.616) 1.647 5.552 ( -0.315 0.000 1.616) 1.647 5.763 ( 2.296 0.000 -1.597) 2.796 5.763 ( -2.296 0.000 1.597) 2.796 6.014 ( -1.745 0.000 -2.663) 3.183 6.014 ( 1.745 0.000 2.663) 3.183 6.535 ( -2.202 0.000 -13.482) 13.660 6.535 ( 2.202 0.000 13.482) 13.660 6.728 ( -5.575 0.000 -9.282) 10.827 6.728 ( 5.575 0.000 9.282) 10.827 7.840 ( -1.999 0.000 -12.925) 13.078 7.840 ( 1.999 0.000 12.925) 13.078 8.257 ( -2.600 0.000 -6.027) 6.564 8.257 ( 2.600 0.000 6.027) 6.564 11.834 ( -0.550 0.000 -0.676) 0.872 11.834 ( 0.550 0.000 0.676) 0.872 12.444 ( 0.068 0.000 -0.658) 0.661 12.444 ( -0.068 0.000 0.658) 0.661 13.844 ( -7.547 0.000 -17.482) 19.041 13.844 ( 7.547 0.000 17.482) 19.041 14.792 ( 0.003 0.000 -0.115) 0.115 14.792 ( -0.003 0.000 0.115) 0.115 15.019 ( 0.655 0.000 -1.512) 1.648 15.019 ( -0.655 0.000 1.512) 1.648 15.867 ( 0.410 0.000 -5.056) 5.073 15.867 ( -0.410 0.000 5.056) 5.073 16.088 ( -4.558 0.000 -5.009) 6.772 16.088 ( 4.558 0.000 5.009) 6.772 16.486 ( 1.049 0.000 -5.622) 5.719 16.486 ( -1.049 0.000 5.622) 5.719 ======================= Grid point 129 (58/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 3.032 3.609 -10.119) 11.163 0.609 ( -3.032 3.609 10.119) 11.163 0.769 ( 6.692 5.637 -13.292) 15.913 0.769 ( -6.692 5.637 13.292) 15.913 1.174 ( -0.854 6.096 -5.185) 8.048 1.174 ( 0.854 6.096 5.185) 8.048 1.309 ( -2.968 1.166 -6.274) 7.038 1.309 ( 2.968 1.166 6.274) 7.038 1.477 ( -0.443 8.789 -8.054) 11.930 1.477 ( 0.443 8.789 8.054) 11.930 1.553 ( -0.928 2.297 -0.812) 2.607 1.553 ( 0.928 2.297 0.812) 2.607 1.727 ( -1.367 3.862 -0.505) 4.128 1.727 ( 1.367 3.862 0.505) 4.128 1.879 ( -1.781 -0.035 -4.181) 4.544 1.879 ( 1.781 -0.035 4.181) 4.544 2.013 ( -0.047 3.619 -3.720) 5.190 2.013 ( 0.047 3.619 3.720) 5.190 2.086 ( 2.885 0.644 -3.865) 4.866 2.086 ( -2.885 0.644 3.865) 4.866 2.196 ( -1.206 2.245 -3.179) 4.074 2.196 ( 1.206 2.245 3.179) 4.074 2.299 ( 4.665 -1.716 -1.950) 5.339 2.299 ( -4.665 -1.716 1.950) 5.339 2.420 ( -1.882 0.284 -4.627) 5.003 2.420 ( 1.882 0.284 4.627) 5.003 2.462 ( -2.947 -1.347 -3.402) 4.698 2.462 ( 2.947 -1.347 3.402) 4.698 2.716 ( -0.313 0.798 -4.361) 4.444 2.716 ( 0.313 0.798 4.361) 4.444 2.849 ( -2.713 -1.528 -4.131) 5.173 2.849 ( 2.713 -1.528 4.131) 5.173 2.942 ( 2.648 6.225 -5.668) 8.826 2.942 ( -2.648 6.225 5.668) 8.826 3.141 ( -3.467 -1.325 -4.752) 6.030 3.141 ( 3.467 -1.325 4.752) 6.030 3.218 ( -2.026 -3.469 -1.765) 4.388 3.218 ( 2.026 -3.469 1.765) 4.388 3.384 ( -4.707 -1.756 -0.292) 5.033 3.384 ( 4.707 -1.756 0.292) 5.033 3.605 ( 0.794 -2.227 -3.403) 4.144 3.605 ( -0.794 -2.227 3.403) 4.144 3.695 ( 0.707 -2.529 -1.913) 3.249 3.695 ( -0.707 -2.529 1.913) 3.249 3.859 ( -5.012 -4.058 -4.739) 8.003 3.859 ( 5.012 -4.058 4.739) 8.003 4.007 ( -0.962 1.004 -3.346) 3.623 4.007 ( 0.962 1.004 3.346) 3.623 4.687 ( 0.906 -3.955 -4.024) 5.714 4.687 ( -0.906 -3.955 4.024) 5.714 5.002 ( -2.174 -0.481 -3.662) 4.286 5.002 ( 2.174 -0.481 3.662) 4.286 5.103 ( -2.378 -1.945 -4.052) 5.084 5.103 ( 2.378 -1.945 4.052) 5.084 5.440 ( 3.495 1.921 -3.704) 5.443 5.440 ( -3.495 1.921 3.704) 5.443 5.871 ( 0.129 3.677 -4.512) 5.822 5.871 ( -0.129 3.677 4.512) 5.822 6.103 ( -0.736 0.311 -2.193) 2.335 6.103 ( 0.736 0.311 2.193) 2.335 6.706 ( -3.604 -7.156 -4.541) 9.210 6.706 ( 3.604 -7.156 4.541) 9.210 7.130 ( 0.564 5.322 -4.670) 7.102 7.130 ( -0.564 5.322 4.670) 7.102 7.751 ( -4.409 -3.777 -1.426) 5.978 7.751 ( 4.409 -3.777 1.426) 5.978 8.068 ( -5.661 2.979 -5.257) 8.280 8.068 ( 5.661 2.979 5.257) 8.280 11.776 ( -0.838 -1.741 -0.310) 1.957 11.776 ( 0.838 -1.741 0.310) 1.957 12.768 ( 0.088 14.670 -4.170) 15.251 12.768 ( -0.088 14.670 4.170) 15.251 14.071 ( -20.029 -10.476 -2.951) 22.795 14.071 ( 20.029 -10.476 2.951) 22.795 14.769 ( -2.585 2.894 -0.389) 3.900 14.769 ( 2.585 2.894 0.389) 3.900 15.067 ( -0.480 0.210 -2.265) 2.325 15.067 ( 0.480 0.210 2.265) 2.325 15.565 ( -14.913 -6.942 3.025) 16.726 15.565 ( 14.913 -6.942 -3.025) 16.726 16.048 ( -2.529 -2.894 -4.835) 6.177 16.048 ( 2.529 -2.894 4.835) 6.177 16.417 ( 4.941 -0.915 -2.590) 5.654 16.417 ( -4.941 -0.915 2.590) 5.654 ======================= Grid point 131 (59/72) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 7.352 11.391 -4.383) 14.249 0.732 ( 6.679 0.280 5.585) 8.711 0.770 ( 2.966 8.868 -9.532) 13.353 0.904 ( 7.168 4.754 6.572) 10.825 1.138 ( 9.158 1.800 -14.766) 17.469 1.178 ( -2.452 0.364 1.928) 3.140 1.258 ( 2.461 7.527 -3.203) 8.542 1.352 ( 5.626 5.107 -1.076) 7.674 1.453 ( 0.474 4.992 1.516) 5.239 1.494 ( 3.225 7.521 1.723) 8.363 1.617 ( 1.451 1.668 -1.566) 2.710 1.672 ( 3.212 1.818 4.226) 5.611 1.727 ( 2.239 5.073 0.991) 5.633 1.763 ( 1.370 5.920 1.465) 6.251 1.834 ( -1.091 1.845 0.284) 2.162 1.943 ( -0.845 -2.307 -1.479) 2.868 1.946 ( -2.980 4.154 -1.950) 5.472 1.995 ( -2.685 2.116 -2.978) 4.534 2.063 ( 0.269 2.312 -1.747) 2.910 2.105 ( -1.665 -1.272 4.822) 5.258 2.138 ( 0.108 2.656 1.901) 3.268 2.182 ( -3.923 -1.507 -3.453) 5.439 2.261 ( -0.928 -2.353 4.113) 4.829 2.322 ( 0.512 -2.153 0.781) 2.347 2.395 ( 3.714 2.331 -0.107) 4.386 2.443 ( 1.952 0.704 0.389) 2.111 2.526 ( 4.661 -0.720 1.091) 4.841 2.599 ( -3.091 0.192 -0.893) 3.223 2.672 ( 4.515 -0.219 2.681) 5.256 2.739 ( -0.010 -0.621 5.415) 5.450 2.767 ( -4.299 1.205 0.665) 4.515 2.871 ( -2.970 0.925 1.754) 3.571 2.933 ( -1.064 2.940 -0.982) 3.277 2.958 ( -3.245 3.681 4.954) 6.973 3.077 ( 2.014 -1.406 -1.575) 2.918 3.188 ( 0.017 -4.790 -0.277) 4.798 3.238 ( 2.795 -3.598 1.818) 4.905 3.308 ( -2.975 -1.461 -0.250) 3.324 3.341 ( 7.016 -2.342 4.373) 8.593 3.410 ( -1.778 -2.514 -4.985) 5.859 3.579 ( -2.224 -0.865 -4.032) 4.685 3.599 ( 2.029 -1.331 -0.291) 2.444 3.651 ( -3.529 -3.130 -4.011) 6.193 3.709 ( 0.049 -1.360 1.843) 2.291 3.741 ( -2.159 -0.287 -1.236) 2.504 3.945 ( 1.215 -4.368 2.305) 5.086 4.000 ( 2.102 -1.625 -0.543) 2.711 4.040 ( -1.694 -3.039 1.770) 3.903 4.640 ( -1.465 -2.326 -4.679) 5.427 4.705 ( -0.621 -4.253 3.224) 5.373 4.923 ( -3.383 1.187 -3.574) 5.062 5.037 ( 0.250 -4.539 -0.144) 4.548 5.077 ( 1.086 0.231 3.869) 4.025 5.231 ( 6.121 -2.678 2.726) 7.216 5.349 ( -5.254 2.533 0.789) 5.886 5.521 ( 6.893 2.066 -3.281) 7.909 5.820 ( -0.204 1.924 -5.093) 5.448 5.889 ( -1.435 4.576 2.204) 5.278 6.050 ( -3.716 -0.410 0.351) 3.755 6.163 ( 1.838 2.827 4.469) 5.598 6.491 ( -11.318 -2.793 -7.463) 13.842 6.687 ( -5.920 -0.134 -2.152) 6.300 7.029 ( -2.401 2.699 0.290) 3.624 7.179 ( -0.125 0.854 -5.427) 5.496 7.684 ( -2.519 2.390 1.733) 3.881 7.852 ( 3.923 -4.861 3.192) 7.015 7.949 ( -1.762 0.768 -0.138) 1.927 8.304 ( 9.005 -1.999 4.871) 10.431 11.773 ( 0.486 -2.664 0.236) 2.719 11.802 ( 1.155 -1.026 0.560) 1.643 12.715 ( -2.686 12.818 -1.782) 13.217 12.786 ( -4.928 16.724 7.631) 19.031 13.583 ( -18.204 -1.207 -13.897) 22.934 14.287 ( 5.592 -16.587 -5.607) 18.380 14.753 ( 0.666 1.798 -0.297) 1.940 14.836 ( 4.388 4.403 -2.422) 6.671 15.032 ( -0.905 0.931 -1.293) 1.832 15.054 ( -3.826 0.966 2.088) 4.465 15.428 ( -3.719 -2.805 9.892) 10.934 15.825 ( 9.252 -5.663 0.343) 10.853 15.988 ( 1.024 -5.895 -3.867) 7.124 16.156 ( 2.728 -4.934 5.300) 7.739 16.362 ( -2.648 -1.870 1.814) 3.715 16.499 ( 6.131 -2.667 -2.601) 7.174 ======================= Grid point 132 (60/72) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 4.705 7.553 -12.949) 15.711 0.791 ( 9.426 15.544 0.954) 18.204 0.911 ( 7.358 1.984 2.142) 7.916 1.105 ( 7.639 3.850 2.716) 8.975 1.169 ( 1.550 2.392 7.421) 7.950 1.228 ( 1.588 0.903 2.642) 3.212 1.387 ( 18.779 3.143 -8.508) 20.854 1.447 ( 1.616 8.513 1.619) 8.815 1.521 ( 5.391 4.481 -1.287) 7.127 1.565 ( 1.820 7.029 1.517) 7.417 1.632 ( 2.560 -0.018 -0.793) 2.680 1.687 ( -2.531 2.424 -0.059) 3.505 1.723 ( -2.446 5.923 -2.884) 7.027 1.775 ( 2.291 2.475 -2.013) 3.927 1.841 ( -1.271 3.969 -1.572) 4.454 1.847 ( -3.894 2.100 1.914) 4.820 1.903 ( -3.512 4.127 -1.651) 5.665 1.946 ( 3.707 0.114 -0.181) 3.713 2.072 ( -0.864 0.050 2.386) 2.538 2.089 ( -1.038 -0.739 3.231) 3.473 2.136 ( 1.140 0.290 -1.504) 1.910 2.214 ( 0.466 -3.060 2.114) 3.748 2.281 ( 1.215 -1.213 -0.341) 1.750 2.351 ( 1.446 -2.691 2.594) 4.007 2.438 ( 1.798 2.431 -2.653) 4.023 2.478 ( -1.228 1.460 -2.960) 3.521 2.523 ( 1.957 3.043 0.723) 3.690 2.613 ( 2.260 -3.077 0.026) 3.818 2.681 ( -5.733 3.106 1.291) 6.647 2.719 ( 1.533 -0.465 0.141) 1.608 2.801 ( -4.314 1.005 0.157) 4.433 2.886 ( -1.265 1.633 0.289) 2.086 2.904 ( 3.242 -1.961 7.458) 8.365 2.937 ( -1.371 2.438 3.709) 4.646 3.111 ( -1.646 -1.572 -0.632) 2.362 3.197 ( -3.766 -1.760 -4.078) 5.823 3.234 ( -2.719 -3.074 0.584) 4.145 3.285 ( 1.362 -2.041 -1.926) 3.119 3.292 ( -0.868 -5.055 -0.115) 5.130 3.462 ( -0.147 -2.517 1.105) 2.753 3.499 ( 1.827 -1.246 -1.786) 2.843 3.570 ( -1.191 -2.130 0.361) 2.468 3.621 ( -0.699 -1.024 -2.093) 2.432 3.707 ( -2.855 -2.046 -0.383) 3.533 3.762 ( 3.428 -0.112 3.217) 4.702 3.923 ( -6.152 -4.678 -2.188) 8.033 4.012 ( 0.232 -2.604 1.340) 2.937 4.031 ( 1.728 -2.236 -1.530) 3.214 4.562 ( -2.835 -0.872 -2.155) 3.667 4.722 ( -2.024 -5.455 3.856) 6.980 4.837 ( -0.742 0.798 -3.385) 3.556 5.071 ( 1.149 -3.965 1.200) 4.299 5.118 ( 2.059 -3.234 -0.231) 3.841 5.289 ( -2.826 -2.309 2.661) 4.516 5.368 ( 6.646 -0.705 0.727) 6.723 5.627 ( 4.981 2.477 0.554) 5.590 5.777 ( 1.294 2.984 -5.266) 6.189 5.876 ( -1.699 5.338 1.510) 5.801 5.982 ( -3.500 -1.564 0.399) 3.854 6.252 ( 0.448 2.673 7.726) 8.188 6.269 ( -5.061 5.802 -4.357) 8.846 6.561 ( -4.753 -2.436 -1.419) 5.526 6.951 ( -6.129 2.783 -3.160) 7.436 7.104 ( -0.840 1.142 -6.149) 6.311 7.672 ( -2.243 4.798 4.700) 7.081 7.940 ( 0.817 -5.742 -0.090) 5.801 7.977 ( 5.966 -2.251 1.930) 6.662 8.408 ( -0.008 -2.295 0.362) 2.323 11.788 ( 0.810 -2.676 -0.095) 2.797 11.812 ( 0.247 -1.390 -0.752) 1.599 12.643 ( -3.785 10.918 -0.951) 11.595 12.704 ( -9.403 15.253 3.427) 18.243 13.374 ( 2.138 0.153 0.257) 2.159 14.226 ( -3.669 -14.716 -8.247) 17.263 14.773 ( 1.413 1.645 0.032) 2.169 14.846 ( 0.363 4.310 -2.680) 5.088 15.023 ( 1.355 1.652 -1.189) 2.445 15.032 ( -0.348 2.456 0.886) 2.634 15.541 ( 2.785 -3.416 11.578) 12.389 15.885 ( -0.004 0.788 0.285) 0.839 16.006 ( 2.963 -5.501 -2.964) 6.916 16.182 ( -1.456 -9.883 -1.606) 10.118 16.376 ( 1.142 -1.409 2.893) 3.415 16.548 ( 1.777 -3.044 -2.951) 4.597 ======================= Grid point 133 (61/72) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 9.223 3.533 0.105) 9.877 0.959 ( 4.948 7.662 3.972) 9.948 1.040 ( 7.387 6.505 -0.310) 9.848 1.200 ( -4.190 1.855 1.757) 4.908 1.212 ( 4.789 4.818 -2.877) 7.377 1.373 ( 7.898 1.835 4.777) 9.411 1.388 ( -6.633 5.562 -2.414) 8.986 1.532 ( 0.200 4.073 -3.974) 5.694 1.582 ( 1.797 7.174 -0.108) 7.396 1.595 ( -1.647 5.896 -0.086) 6.122 1.643 ( -1.905 6.948 4.523) 8.507 1.693 ( 6.645 3.383 -0.706) 7.490 1.741 ( 4.072 -0.469 3.391) 5.320 1.785 ( 5.329 3.092 -1.681) 6.387 1.844 ( -2.977 2.512 7.385) 8.349 1.856 ( 4.726 2.511 -3.624) 6.463 1.904 ( 5.595 2.692 -0.421) 6.223 1.992 ( 0.269 2.838 0.002) 2.850 2.077 ( -2.649 -1.646 1.851) 3.627 2.096 ( -0.544 -0.953 2.364) 2.606 2.130 ( -0.369 2.518 -2.257) 3.401 2.223 ( -0.179 -0.933 -3.069) 3.212 2.280 ( 0.128 -1.292 3.658) 3.882 2.388 ( -0.553 -0.168 0.020) 0.578 2.450 ( 1.240 0.797 -1.363) 2.008 2.463 ( 5.355 -0.499 -1.752) 5.656 2.534 ( 0.019 0.372 -1.830) 1.868 2.582 ( -4.293 2.149 -3.248) 5.796 2.631 ( -1.477 1.251 -0.415) 1.980 2.709 ( -2.624 0.183 -0.774) 2.742 2.760 ( 1.931 2.800 -2.251) 4.079 2.810 ( -7.416 -0.147 -4.247) 8.547 2.877 ( -4.596 -1.309 -4.970) 6.895 2.959 ( -4.701 1.117 0.063) 4.832 3.083 ( 4.559 -2.579 8.576) 10.049 3.154 ( 2.962 -1.930 3.351) 4.871 3.239 ( -1.279 -3.537 -1.270) 3.969 3.291 ( -0.432 -2.728 1.180) 3.004 3.320 ( 2.689 -4.726 1.662) 5.686 3.472 ( 0.745 1.016 2.176) 2.514 3.513 ( 0.325 -4.728 -1.300) 4.914 3.554 ( -2.369 -4.450 -2.310) 5.546 3.585 ( -0.852 -0.954 -1.535) 1.998 3.671 ( -2.335 -0.729 2.377) 3.411 3.763 ( -3.451 -0.720 -4.283) 5.547 3.848 ( 0.574 -1.672 2.224) 2.841 4.015 ( -0.506 -2.126 0.167) 2.192 4.041 ( 0.980 -2.500 -1.509) 3.080 4.532 ( 0.231 -0.065 1.999) 2.013 4.687 ( -4.232 -4.174 0.711) 5.986 4.857 ( 3.680 -0.721 0.613) 3.800 5.048 ( -2.998 -1.710 -1.897) 3.938 5.174 ( 4.226 -7.676 -0.877) 8.806 5.269 ( -2.237 -6.899 1.847) 7.484 5.486 ( 5.950 -0.799 0.434) 6.020 5.652 ( -2.223 -0.979 0.519) 2.484 5.777 ( 3.210 5.967 -4.039) 7.889 5.843 ( -3.476 3.203 1.629) 5.000 5.976 ( 2.123 2.271 0.609) 3.168 6.148 ( -4.576 5.168 -2.420) 7.314 6.363 ( 0.624 -3.045 9.487) 9.983 6.524 ( -0.264 -1.808 1.310) 2.248 6.809 ( -4.353 5.752 -1.780) 7.430 7.003 ( -2.785 6.097 -9.112) 11.312 7.710 ( -0.502 1.368 8.640) 8.762 7.906 ( -0.058 -6.274 -7.811) 10.019 8.123 ( 5.202 -1.252 5.838) 7.919 8.357 ( -2.778 -0.065 -3.598) 4.546 11.795 ( 0.606 -1.900 -0.594) 2.081 11.811 ( 0.205 -2.296 -0.512) 2.361 12.573 ( -2.692 9.137 -0.762) 9.556 12.589 ( -4.950 10.575 0.808) 11.704 13.535 ( 6.037 -1.905 12.948) 14.412 14.032 ( -6.400 -9.620 -12.305) 16.879 14.796 ( 1.026 1.518 0.181) 1.841 14.827 ( -0.062 2.751 -1.553) 3.160 15.040 ( 1.214 2.316 -0.721) 2.713 15.042 ( 0.627 2.994 0.104) 3.060 15.711 ( 3.005 -4.252 12.122) 13.193 15.884 ( 0.245 0.538 -0.953) 1.121 16.011 ( 0.836 -1.981 -2.470) 3.275 16.109 ( -2.372 -10.526 -5.578) 12.147 16.429 ( 1.577 -1.093 2.578) 3.214 16.522 ( -0.657 -0.972 -3.089) 3.305 ======================= Grid point 134 (62/72) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -7.357 2.113 -5.145) 9.223 0.921 ( 7.357 2.113 5.145) 9.223 1.185 ( 2.805 4.281 -3.469) 6.183 1.185 ( -2.805 4.281 3.469) 6.183 1.219 ( -1.239 5.200 -0.447) 5.364 1.219 ( 1.239 5.200 0.447) 5.364 1.508 ( -3.180 3.629 -1.774) 5.141 1.508 ( 3.180 3.629 1.774) 5.141 1.556 ( -1.188 9.329 -1.891) 9.592 1.556 ( 1.188 9.329 1.891) 9.592 1.713 ( -3.145 1.932 0.483) 3.723 1.713 ( 3.145 1.932 -0.483) 3.723 1.807 ( -0.186 3.668 -1.497) 3.966 1.807 ( 0.186 3.668 1.497) 3.966 1.914 ( -0.015 0.901 -2.613) 2.764 1.914 ( 0.015 0.901 2.613) 2.764 1.991 ( -1.551 2.280 -2.606) 3.794 1.991 ( 1.551 2.280 2.606) 3.794 2.057 ( -3.105 3.238 -4.130) 6.098 2.057 ( 3.105 3.238 4.130) 6.098 2.144 ( -2.374 0.047 -3.691) 4.388 2.144 ( 2.374 0.047 3.691) 4.388 2.375 ( -1.499 -2.308 -4.319) 5.122 2.375 ( 1.499 -2.308 4.319) 5.122 2.484 ( -0.973 2.124 -2.054) 3.110 2.484 ( 0.973 2.124 2.054) 3.110 2.538 ( -1.459 -0.955 -5.000) 5.295 2.538 ( 1.459 -0.955 5.000) 5.295 2.576 ( 1.494 0.781 -3.185) 3.603 2.576 ( -1.494 0.781 3.185) 3.603 2.721 ( -0.300 2.345 -1.364) 2.729 2.721 ( 0.300 2.345 1.364) 2.729 2.899 ( -0.095 -0.472 -0.724) 0.869 2.899 ( 0.095 -0.472 0.724) 0.869 3.181 ( -2.856 -3.322 -2.018) 4.823 3.181 ( 2.856 -3.322 2.018) 4.823 3.267 ( -2.286 -3.617 -1.785) 4.636 3.267 ( 2.286 -3.617 1.785) 4.636 3.428 ( -4.603 -3.644 -5.908) 8.329 3.428 ( 4.603 -3.644 5.908) 8.329 3.524 ( 0.608 -1.726 -3.287) 3.763 3.524 ( -0.608 -1.726 3.287) 3.763 3.571 ( -1.647 -0.949 -1.478) 2.407 3.571 ( 1.647 -0.949 1.478) 2.407 3.809 ( -3.886 -1.396 -2.553) 4.855 3.809 ( 3.886 -1.396 2.553) 4.855 4.029 ( -0.353 -2.124 -2.097) 3.005 4.029 ( 0.353 -2.124 2.097) 3.005 4.599 ( -3.986 -1.478 -2.490) 4.927 4.599 ( 3.986 -1.478 2.490) 4.927 4.952 ( -4.145 -1.083 -3.257) 5.381 4.952 ( 4.145 -1.083 3.257) 5.381 5.234 ( 0.534 -9.115 -1.478) 9.250 5.234 ( -0.534 -9.115 1.478) 9.250 5.587 ( -3.601 -0.875 -0.948) 3.825 5.587 ( 3.601 -0.875 0.948) 3.825 5.803 ( 2.902 4.391 -2.875) 5.997 5.803 ( -2.902 4.391 2.875) 5.997 6.046 ( -2.893 3.634 -2.167) 5.126 6.046 ( 2.893 3.634 2.167) 5.126 6.470 ( -1.408 -4.778 -7.376) 8.900 6.470 ( 1.408 -4.778 7.376) 8.900 6.850 ( -3.250 9.317 -8.824) 13.237 6.850 ( 3.250 9.317 8.824) 13.237 7.807 ( -0.780 -3.067 -10.125) 10.608 7.807 ( 0.780 -3.067 10.125) 10.608 8.257 ( -3.060 -0.237 -5.903) 6.653 8.257 ( 3.060 -0.237 5.903) 6.653 11.804 ( -0.451 -2.109 -0.228) 2.168 11.804 ( 0.451 -2.109 0.228) 2.168 12.547 ( 0.645 8.637 -0.811) 8.699 12.547 ( -0.645 8.637 0.811) 8.699 13.784 ( -6.446 -5.204 -14.991) 17.128 13.784 ( 6.446 -5.204 14.991) 17.128 14.813 ( -0.454 1.738 -0.690) 1.924 14.813 ( 0.454 1.738 0.690) 1.924 15.048 ( 0.942 2.878 -1.754) 3.499 15.048 ( -0.942 2.878 1.754) 3.499 15.849 ( -0.649 -2.493 -7.831) 8.244 15.849 ( 0.649 -2.493 7.831) 8.244 16.023 ( -2.095 -5.027 -1.581) 5.671 16.023 ( 2.095 -5.027 1.581) 5.671 16.478 ( 1.106 -0.853 -5.112) 5.300 16.478 ( -1.106 -0.853 5.112) 5.300 ======================= Grid point 139 (63/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.747 8.881 -7.221) 12.392 0.759 ( -4.747 8.881 7.221) 12.392 0.925 ( 2.252 9.632 -6.700) 11.947 0.925 ( -2.252 9.632 6.700) 11.947 1.216 ( 1.123 -0.450 -3.887) 4.071 1.216 ( -1.123 -0.450 3.887) 4.071 1.328 ( -1.071 -1.346 -4.851) 5.147 1.328 ( 1.071 -1.346 4.851) 5.147 1.554 ( -5.203 -0.672 -1.939) 5.593 1.554 ( 5.203 -0.672 1.939) 5.593 1.726 ( -3.364 10.055 -3.817) 11.269 1.726 ( 3.364 10.055 3.817) 11.269 1.826 ( -0.620 4.757 -1.392) 4.995 1.826 ( 0.620 4.757 1.392) 4.995 1.902 ( -0.815 2.832 -1.879) 3.495 1.902 ( 0.815 2.832 1.879) 3.495 2.043 ( 0.052 0.545 -3.717) 3.757 2.043 ( -0.052 0.545 3.717) 3.757 2.162 ( 0.343 3.120 -3.106) 4.416 2.162 ( -0.343 3.120 3.106) 4.416 2.201 ( 0.560 1.383 -1.844) 2.372 2.201 ( -0.560 1.383 1.844) 2.372 2.350 ( -4.115 4.384 -2.607) 6.553 2.350 ( 4.115 4.384 2.607) 6.553 2.418 ( -3.070 0.703 -4.293) 5.324 2.418 ( 3.070 0.703 4.293) 5.324 2.483 ( -1.102 5.302 -1.213) 5.550 2.483 ( 1.102 5.302 1.213) 5.550 2.748 ( 0.513 1.034 -5.312) 5.436 2.748 ( -0.513 1.034 5.312) 5.436 2.810 ( -1.615 -1.260 -2.940) 3.583 2.810 ( 1.615 -1.260 2.940) 3.583 3.030 ( -0.567 0.673 -3.157) 3.278 3.030 ( 0.567 0.673 3.157) 3.278 3.076 ( -2.501 -3.228 -3.612) 5.452 3.076 ( 2.501 -3.228 3.612) 5.452 3.125 ( -3.995 -5.446 0.172) 6.756 3.125 ( 3.995 -5.446 -0.172) 6.756 3.358 ( -2.696 -0.930 -1.336) 3.149 3.358 ( 2.696 -0.930 1.336) 3.149 3.533 ( -1.289 -6.511 -1.851) 6.891 3.533 ( 1.289 -6.511 1.851) 6.891 3.631 ( -1.600 -3.151 -2.125) 4.124 3.631 ( 1.600 -3.151 2.125) 4.124 3.782 ( -4.888 -1.446 -2.594) 5.720 3.782 ( 4.888 -1.446 2.594) 5.720 4.004 ( 1.410 -1.538 -1.807) 2.760 4.004 ( -1.410 -1.538 1.807) 2.760 4.598 ( 0.830 -3.906 -1.585) 4.296 4.598 ( -0.830 -3.906 1.585) 4.296 4.970 ( -2.420 -1.714 -3.440) 4.541 4.970 ( 2.420 -1.714 3.440) 4.541 5.097 ( -1.213 0.166 -7.924) 8.018 5.097 ( 1.213 0.166 7.924) 8.018 5.454 ( 2.590 -0.047 -1.416) 2.952 5.454 ( -2.590 -0.047 1.416) 2.952 5.934 ( -0.780 2.011 -3.634) 4.226 5.934 ( 0.780 2.011 3.634) 4.226 6.190 ( -1.671 7.752 -8.681) 11.758 6.190 ( 1.671 7.752 8.681) 11.758 6.613 ( -7.686 -2.733 -9.217) 12.309 6.613 ( 7.686 -2.733 9.217) 12.309 7.162 ( 1.903 -1.353 -5.431) 5.912 7.162 ( -1.903 -1.353 5.431) 5.912 7.648 ( -2.914 -5.430 -0.062) 6.163 7.648 ( 2.914 -5.430 0.062) 6.163 8.128 ( -2.018 2.335 -5.927) 6.683 8.128 ( 2.018 2.335 5.927) 6.683 11.755 ( -1.164 -0.352 -0.896) 1.510 11.755 ( 1.164 -0.352 0.896) 1.510 13.050 ( -0.817 10.781 -3.786) 11.456 13.050 ( 0.817 10.781 3.786) 11.456 13.867 ( -5.836 -7.714 -3.783) 10.386 13.867 ( 5.836 -7.714 3.783) 10.386 14.820 ( -2.791 1.799 -0.753) 3.405 14.820 ( 2.791 1.799 0.753) 3.405 15.079 ( 0.331 1.075 -2.210) 2.480 15.079 ( -0.331 1.075 2.210) 2.480 15.408 ( 11.084 -7.300 -6.323) 14.701 15.408 ( -11.084 -7.300 6.323) 14.701 16.010 ( -2.279 -0.885 -3.514) 4.281 16.010 ( 2.279 -0.885 3.514) 4.281 16.389 ( -0.484 -1.520 -0.573) 1.695 16.389 ( 0.484 -1.520 0.573) 1.695 ======================= Grid point 141 (64/72) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 2.027 4.666 3.319) 6.074 0.905 ( 5.934 7.594 -4.254) 10.535 0.954 ( 7.795 9.947 -4.705) 13.485 1.032 ( 8.350 6.551 -0.443) 10.623 1.167 ( -1.048 2.574 4.635) 5.404 1.204 ( 0.989 2.016 0.035) 2.246 1.346 ( 5.580 -1.748 -4.044) 7.110 1.445 ( 4.241 -0.363 5.656) 7.079 1.505 ( 0.642 2.880 0.481) 2.989 1.659 ( 3.261 6.202 -2.154) 7.331 1.684 ( 3.528 5.164 -2.717) 6.819 1.760 ( 2.099 4.078 -1.395) 4.794 1.815 ( 0.194 2.141 -0.267) 2.166 1.892 ( 2.344 1.330 -1.654) 3.162 1.901 ( 3.223 6.224 0.608) 7.035 1.928 ( 0.757 4.942 -1.804) 5.315 2.000 ( -1.904 2.522 -0.986) 3.310 2.057 ( -1.253 -1.497 1.853) 2.691 2.131 ( -2.321 3.044 -0.067) 3.829 2.143 ( -3.149 3.624 -0.984) 4.901 2.161 ( -1.571 5.827 -2.110) 6.393 2.192 ( 0.277 1.618 -0.345) 1.678 2.274 ( -1.555 4.665 -0.501) 4.943 2.331 ( -1.497 3.368 -0.473) 3.716 2.405 ( 2.060 2.506 -0.666) 3.312 2.494 ( 3.386 1.209 2.674) 4.481 2.540 ( 1.514 3.892 4.619) 6.227 2.590 ( 4.422 -1.031 2.857) 5.364 2.677 ( -1.862 0.824 -3.048) 3.666 2.753 ( -2.360 2.011 3.286) 4.518 2.776 ( -1.470 -2.381 0.323) 2.817 2.870 ( -2.004 0.714 3.927) 4.467 2.976 ( -1.388 1.000 -2.741) 3.231 3.018 ( 1.301 -1.782 -3.649) 4.264 3.053 ( -4.032 -0.985 4.926) 6.441 3.084 ( 0.904 -3.058 2.465) 4.030 3.157 ( 2.083 -3.288 3.380) 5.156 3.171 ( 1.223 -8.342 -1.238) 8.521 3.297 ( -1.787 -3.492 -2.387) 4.591 3.383 ( -1.462 -0.765 -2.616) 3.094 3.500 ( 0.796 -7.466 -1.180) 7.600 3.537 ( -1.585 -5.448 0.036) 5.674 3.623 ( -1.266 -1.108 -0.869) 1.894 3.663 ( -1.167 -1.729 3.228) 3.844 3.703 ( 0.153 -1.033 1.275) 1.648 3.860 ( 1.403 -3.417 0.535) 3.732 3.971 ( -1.730 -2.713 -1.029) 3.378 3.997 ( 0.547 0.040 -2.801) 2.854 4.575 ( -0.753 -3.712 -1.664) 4.137 4.606 ( -0.485 -4.434 -0.035) 4.461 4.900 ( -2.365 -1.759 -1.946) 3.532 4.957 ( -0.887 -3.402 -3.275) 4.805 5.106 ( 0.839 1.461 4.401) 4.712 5.196 ( 0.995 -0.190 6.233) 6.315 5.389 ( -3.329 1.099 -1.842) 3.960 5.505 ( 4.966 -3.035 -1.137) 5.930 5.890 ( 0.444 3.882 -3.359) 5.152 5.966 ( -0.319 1.992 2.366) 3.110 6.079 ( -3.348 4.029 -4.698) 7.036 6.296 ( -3.048 8.652 7.162) 11.638 6.394 ( -3.114 -3.447 -6.271) 7.804 6.743 ( -4.127 2.254 5.595) 7.309 7.057 ( -2.539 0.449 -1.694) 3.085 7.173 ( -0.943 -0.978 -4.445) 4.648 7.643 ( 0.762 -5.386 1.972) 5.786 7.730 ( 4.079 -6.748 3.177) 8.500 8.018 ( -2.771 5.318 -3.847) 7.125 8.265 ( 6.042 -2.071 1.918) 6.669 11.737 ( -0.165 -0.609 -0.037) 0.632 11.783 ( 0.692 -0.903 0.787) 1.384 12.987 ( -3.836 11.822 -0.867) 12.459 13.086 ( -4.186 10.610 8.601) 14.285 13.576 ( -14.175 1.034 -8.022) 16.320 13.950 ( 1.441 -14.528 -3.236) 14.954 14.799 ( 0.775 2.463 -0.550) 2.640 14.888 ( 3.838 0.906 -1.366) 4.173 15.062 ( -0.137 2.004 -0.800) 2.162 15.086 ( -0.306 2.166 1.165) 2.478 15.355 ( -2.001 -3.880 8.046) 9.154 15.598 ( 13.712 -12.628 -4.426) 19.159 15.946 ( -1.807 0.492 -1.776) 2.581 16.073 ( 0.129 -3.265 2.982) 4.424 16.341 ( -1.449 -0.163 0.778) 1.653 16.449 ( 4.225 -2.515 -2.520) 5.525 ======================= Grid point 142 (65/72) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 3.718 5.030 -5.753) 8.499 0.908 ( 2.234 2.550 1.616) 3.756 1.087 ( 10.812 6.024 -4.133) 13.049 1.174 ( 6.960 2.923 2.045) 7.821 1.267 ( 4.414 3.770 -0.906) 5.875 1.281 ( 4.032 6.069 7.100) 10.174 1.474 ( 7.401 4.123 0.861) 8.515 1.539 ( 4.686 -0.284 -3.785) 6.030 1.564 ( 3.897 -1.674 5.441) 6.899 1.678 ( 2.506 4.806 -3.938) 6.700 1.716 ( 3.006 7.618 -0.458) 8.202 1.774 ( 0.060 5.659 -0.728) 5.706 1.821 ( 0.254 1.145 -0.072) 1.175 1.892 ( 0.073 3.799 -1.990) 4.289 1.902 ( 0.429 6.593 -1.013) 6.684 1.954 ( 0.577 2.784 1.565) 3.246 1.999 ( 2.194 9.867 -0.947) 10.152 2.042 ( -1.957 3.803 -1.188) 4.439 2.075 ( -1.565 4.129 0.786) 4.485 2.110 ( 0.142 5.313 1.978) 5.671 2.156 ( 1.772 1.846 -0.143) 2.563 2.195 ( -0.549 1.299 0.630) 1.545 2.282 ( 1.440 2.026 -0.227) 2.495 2.329 ( -0.223 1.357 1.529) 2.057 2.449 ( 3.839 1.185 -1.811) 4.407 2.555 ( -1.064 3.789 -4.403) 5.906 2.559 ( 3.585 -1.086 -0.056) 3.747 2.585 ( -3.350 2.340 3.323) 5.267 2.712 ( -0.176 -1.399 -1.282) 1.906 2.736 ( -2.440 2.423 1.138) 3.623 2.792 ( -0.743 -2.639 -2.489) 3.703 2.819 ( 2.786 -5.384 7.206) 9.417 2.930 ( -1.135 2.910 -1.833) 3.622 2.988 ( -3.849 1.294 1.698) 4.401 3.057 ( -3.258 -3.940 0.088) 5.114 3.129 ( -1.874 -7.538 0.059) 7.768 3.143 ( -0.926 -4.987 -0.345) 5.084 3.172 ( -0.460 -3.157 2.084) 3.811 3.260 ( -1.813 -0.820 -5.007) 5.388 3.352 ( 3.104 -5.139 3.076) 6.746 3.476 ( -3.395 -4.526 -0.099) 5.659 3.532 ( 0.781 -6.719 -0.546) 6.786 3.557 ( -2.241 2.035 -0.785) 3.127 3.662 ( -2.860 -1.928 -0.233) 3.457 3.755 ( 1.753 -1.585 3.639) 4.339 3.835 ( -3.174 -3.562 -1.398) 4.971 3.954 ( 0.592 -1.937 0.023) 2.026 3.988 ( 1.291 -1.235 -2.391) 2.984 4.533 ( -1.372 -1.889 -1.651) 2.860 4.597 ( -1.521 -5.956 2.198) 6.528 4.839 ( -0.927 -0.379 -2.649) 2.832 4.962 ( 1.648 -5.142 0.513) 5.423 5.098 ( -2.823 0.188 -0.238) 2.839 5.216 ( -4.755 -3.352 2.002) 6.153 5.372 ( 3.780 0.464 0.465) 3.836 5.587 ( 2.332 -4.372 1.291) 5.121 5.904 ( 3.419 5.543 -2.755) 7.072 5.964 ( -3.418 1.694 -2.466) 4.542 5.996 ( 1.297 4.185 1.092) 4.515 6.199 ( -4.118 -3.723 0.928) 5.628 6.424 ( -1.331 8.298 2.335) 8.723 6.606 ( -8.997 3.054 0.228) 9.504 6.998 ( -5.224 2.399 -0.129) 5.750 7.149 ( 3.640 3.230 -4.090) 6.357 7.676 ( 0.602 -5.918 1.830) 6.224 7.810 ( -0.391 -6.371 2.226) 6.760 7.985 ( 3.854 4.643 -1.410) 6.197 8.348 ( 1.873 -3.682 -0.067) 4.132 11.745 ( 0.669 -1.087 0.332) 1.319 11.787 ( -0.159 -1.151 -0.594) 1.305 12.890 ( -6.159 11.692 -0.560) 13.226 13.000 ( -13.498 11.390 5.000) 18.356 13.392 ( 0.841 1.973 -0.643) 2.239 13.905 ( -1.757 -15.083 -4.447) 15.823 14.817 ( 1.335 2.507 -0.231) 2.849 14.902 ( 0.258 1.197 -2.517) 2.799 15.074 ( 1.689 3.275 0.214) 3.691 15.105 ( 1.934 4.369 -0.541) 4.808 15.450 ( 2.336 -4.960 9.227) 10.733 15.764 ( 9.043 -14.453 -4.483) 17.628 15.913 ( -0.747 1.322 -0.360) 1.560 16.052 ( -2.790 -3.445 -1.023) 4.549 16.361 ( 1.378 -0.051 2.230) 2.622 16.485 ( 2.200 -3.119 -2.264) 4.438 ======================= Grid point 143 (66/72) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 6.061 5.988 -0.104) 8.520 1.015 ( 4.375 1.081 4.957) 6.699 1.197 ( 1.235 3.135 -1.476) 3.679 1.267 ( 0.593 3.992 -3.379) 5.263 1.297 ( 3.247 4.341 -0.969) 5.507 1.415 ( 5.272 0.338 -3.438) 6.303 1.450 ( 1.185 3.235 -1.303) 3.683 1.635 ( 1.856 -1.308 1.623) 2.791 1.681 ( 1.853 6.127 0.491) 6.420 1.719 ( 4.853 4.652 0.338) 6.731 1.783 ( 4.674 5.673 6.514) 9.821 1.815 ( -1.230 5.354 4.285) 6.967 1.838 ( 1.640 5.077 0.373) 5.348 1.904 ( -1.981 5.207 4.010) 6.864 1.916 ( 4.911 12.988 -2.775) 14.160 1.956 ( 0.322 5.847 0.481) 5.876 2.020 ( 1.437 3.594 -3.102) 4.960 2.036 ( 0.748 5.005 2.601) 5.690 2.079 ( -0.370 0.464 1.803) 1.899 2.116 ( -0.032 8.104 1.354) 8.216 2.195 ( 1.999 2.137 0.546) 2.977 2.203 ( 0.599 -0.205 -1.154) 1.316 2.285 ( -0.153 3.424 0.144) 3.431 2.360 ( 3.242 -1.522 -2.086) 4.144 2.474 ( -0.059 2.094 -1.900) 2.828 2.500 ( -0.304 1.184 -1.273) 1.765 2.526 ( -3.077 0.458 0.099) 3.113 2.625 ( -1.689 1.361 -3.539) 4.151 2.656 ( 3.436 -0.264 -0.586) 3.496 2.714 ( -1.263 1.468 0.526) 2.007 2.795 ( 3.976 -1.595 -2.211) 4.821 2.835 ( -6.347 2.282 -5.462) 8.679 2.869 ( -8.094 1.383 -5.253) 9.748 2.943 ( -2.806 -4.206 2.722) 5.743 3.007 ( 2.668 -2.830 5.379) 6.638 3.096 ( -0.047 -4.910 2.500) 5.510 3.128 ( -0.402 -6.903 0.139) 6.916 3.200 ( -1.181 -4.840 -2.958) 5.794 3.235 ( 2.917 -2.788 4.022) 5.697 3.396 ( -0.941 -5.844 -0.845) 5.979 3.434 ( -1.304 -4.773 0.826) 5.016 3.518 ( -0.518 -4.203 -0.909) 4.331 3.522 ( -1.220 -0.041 -1.404) 1.861 3.631 ( -2.099 -2.571 1.724) 3.740 3.741 ( -3.326 -1.675 -2.301) 4.378 3.788 ( -0.411 -4.049 0.147) 4.072 3.974 ( 0.362 -1.170 1.262) 1.759 3.994 ( 1.087 -1.570 -1.201) 2.255 4.523 ( 0.564 -0.975 1.218) 1.659 4.587 ( -2.103 -4.955 1.963) 5.730 4.842 ( 2.553 -0.306 0.326) 2.591 4.985 ( -1.074 -4.544 0.496) 4.695 5.046 ( -0.051 -4.027 -2.847) 4.931 5.131 ( -4.611 -5.917 -0.017) 7.502 5.463 ( 3.968 -0.755 2.076) 4.541 5.594 ( -1.797 -3.316 0.055) 3.772 5.880 ( -1.115 1.389 0.018) 1.782 5.944 ( 1.971 8.976 -3.983) 10.016 6.080 ( 4.773 4.642 1.205) 6.767 6.199 ( 1.028 -3.729 3.222) 5.035 6.299 ( -7.853 3.203 -1.136) 8.557 6.514 ( -5.356 -1.635 -1.287) 5.745 6.952 ( -0.816 8.051 5.605) 9.844 7.148 ( 0.686 7.142 -6.356) 9.585 7.699 ( -0.332 -4.637 2.845) 5.450 7.771 ( -1.459 -4.553 -3.160) 5.730 8.105 ( 5.967 0.272 4.237) 7.323 8.332 ( -1.908 -2.606 -2.634) 4.168 11.760 ( 0.630 -1.097 0.151) 1.274 11.778 ( 0.022 -1.011 -0.838) 1.313 12.781 ( -4.590 9.742 -0.778) 10.798 12.815 ( -8.206 9.780 0.593) 12.780 13.498 ( 4.214 -1.165 8.618) 9.664 13.807 ( -3.165 -11.064 -7.043) 13.492 14.835 ( 0.804 2.044 0.008) 2.196 14.874 ( -0.496 1.584 -2.121) 2.693 15.111 ( 1.565 4.502 0.742) 4.824 15.132 ( 1.623 5.497 -1.080) 5.832 15.590 ( 2.798 -6.926 9.938) 12.432 15.808 ( 2.258 -12.211 -7.772) 14.650 15.921 ( 0.949 -0.247 1.597) 1.874 15.991 ( -1.706 -1.647 -2.012) 3.110 16.408 ( 1.642 -0.799 1.657) 2.466 16.482 ( -0.341 -2.573 -1.576) 3.036 ======================= Grid point 144 (67/72) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -7.417 4.622 -4.651) 9.900 0.993 ( 7.417 4.622 4.651) 9.900 1.217 ( -3.340 -0.467 -6.896) 7.677 1.217 ( 3.340 -0.467 6.896) 7.677 1.347 ( -0.804 5.868 -2.968) 6.625 1.347 ( 0.804 5.868 2.968) 6.625 1.583 ( 5.892 1.701 -2.895) 6.782 1.583 ( -5.892 1.701 2.895) 6.782 1.749 ( -5.298 6.551 0.929) 8.476 1.749 ( 5.298 6.551 -0.929) 8.476 1.834 ( 2.179 8.078 -1.513) 8.502 1.834 ( -2.179 8.078 1.513) 8.502 1.899 ( 1.547 6.345 -2.111) 6.864 1.899 ( -1.547 6.345 2.111) 6.864 1.968 ( 1.922 4.659 -4.287) 6.616 1.968 ( -1.922 4.659 4.287) 6.616 2.010 ( 4.558 2.517 -3.273) 6.150 2.010 ( -4.558 2.517 3.273) 6.150 2.118 ( -1.365 -0.976 -4.570) 4.868 2.118 ( 1.365 -0.976 4.570) 4.868 2.220 ( -1.996 8.591 -1.661) 8.975 2.220 ( 1.996 8.591 1.661) 8.975 2.327 ( -0.954 -1.291 -7.090) 7.269 2.327 ( 0.954 -1.291 7.090) 7.269 2.476 ( 3.408 -2.224 -3.754) 5.536 2.476 ( -3.408 -2.224 3.754) 5.536 2.601 ( -7.114 6.037 -6.194) 11.199 2.601 ( 7.114 6.037 6.194) 11.199 2.616 ( 0.722 2.744 -1.871) 3.399 2.616 ( -0.722 2.744 1.871) 3.399 2.747 ( -2.835 -0.142 0.182) 2.844 2.747 ( 2.835 -0.142 -0.182) 2.844 2.886 ( 0.602 -1.048 -1.144) 1.664 2.886 ( -0.602 -1.048 1.144) 1.664 3.091 ( -1.299 -4.817 -3.647) 6.180 3.091 ( 1.299 -4.817 3.647) 6.180 3.152 ( -0.948 -7.407 -1.523) 7.621 3.152 ( 0.948 -7.407 1.523) 7.621 3.342 ( -2.612 -4.004 -5.077) 6.974 3.342 ( 2.612 -4.004 5.077) 6.974 3.451 ( -2.296 -5.205 -2.112) 6.068 3.451 ( 2.296 -5.205 2.112) 6.068 3.555 ( -3.318 -0.586 -1.796) 3.818 3.555 ( 3.318 -0.586 1.796) 3.818 3.751 ( -1.580 -4.089 -2.329) 4.964 3.751 ( 1.580 -4.089 2.329) 4.964 3.991 ( 0.054 -1.161 -1.599) 1.976 3.991 ( -0.054 -1.161 1.599) 1.976 4.558 ( -2.066 -2.351 -0.008) 3.130 4.558 ( 2.066 -2.351 0.008) 3.130 4.919 ( -3.169 -1.779 -2.803) 4.590 4.919 ( 3.169 -1.779 2.803) 4.590 5.065 ( -2.762 -6.906 0.369) 7.447 5.065 ( 2.762 -6.906 -0.369) 7.447 5.542 ( -2.182 -2.135 -1.893) 3.592 5.542 ( 2.182 -2.135 1.893) 3.592 5.907 ( -0.989 5.484 -4.039) 6.882 5.907 ( 0.989 5.484 4.039) 6.882 6.156 ( -3.025 5.823 -1.548) 6.742 6.156 ( 3.025 5.823 1.548) 6.742 6.356 ( -5.318 -6.167 -7.038) 10.763 6.356 ( 5.318 -6.167 7.038) 10.763 7.053 ( -2.268 9.547 -8.910) 13.254 7.053 ( 2.268 9.547 8.910) 13.254 7.726 ( 0.943 -4.448 -4.794) 6.607 7.726 ( -0.943 -4.448 4.794) 6.607 8.241 ( -3.283 -1.324 -5.278) 6.355 8.241 ( 3.283 -1.324 5.278) 6.355 11.770 ( 0.035 -0.991 -0.632) 1.176 11.770 ( -0.035 -0.991 0.632) 1.176 12.739 ( 1.060 8.736 -0.664) 8.825 12.739 ( -1.060 8.736 0.664) 8.825 13.662 ( -4.018 -5.788 -9.486) 11.816 13.662 ( 4.018 -5.788 9.486) 11.816 14.850 ( -0.545 1.669 -0.944) 1.994 14.850 ( 0.545 1.669 0.944) 1.994 15.135 ( 0.987 5.450 -2.453) 6.057 15.135 ( -0.987 5.450 2.453) 6.057 15.725 ( -1.417 -9.061 -9.695) 13.345 15.725 ( 1.417 -9.061 9.695) 13.345 15.954 ( -0.461 -1.238 -2.160) 2.532 15.954 ( 0.461 -1.238 2.160) 2.532 16.450 ( 1.001 -1.655 -3.887) 4.342 16.450 ( -1.001 -1.655 3.887) 4.342 ======================= Grid point 149 (68/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 3.193 5.104 -4.786) 7.691 0.913 ( -3.193 5.104 4.786) 7.691 1.114 ( 3.358 4.726 -3.032) 6.543 1.114 ( -3.358 4.726 3.032) 6.543 1.207 ( 1.061 1.012 -5.730) 5.914 1.207 ( -1.061 1.012 5.730) 5.914 1.298 ( -1.677 1.449 -3.868) 4.457 1.298 ( 1.677 1.449 3.868) 4.457 1.455 ( -2.271 -7.870 -0.865) 8.237 1.455 ( 2.271 -7.870 0.865) 8.237 1.844 ( -0.308 1.735 -0.641) 1.875 1.844 ( 0.308 1.735 0.641) 1.875 1.906 ( -1.199 2.663 -1.484) 3.276 1.906 ( 1.199 2.663 1.484) 3.276 1.955 ( -0.239 0.858 -2.586) 2.735 1.955 ( 0.239 0.858 2.586) 2.735 2.096 ( -3.363 4.827 -1.715) 6.128 2.096 ( 3.363 4.827 1.715) 6.128 2.173 ( 0.682 0.075 -1.622) 1.761 2.173 ( -0.682 0.075 1.622) 1.761 2.215 ( -2.375 -3.240 -5.035) 6.441 2.215 ( 2.375 -3.240 5.035) 6.441 2.446 ( -0.276 7.480 -0.202) 7.487 2.446 ( 0.276 7.480 0.202) 7.487 2.526 ( -1.504 6.716 -1.728) 7.096 2.526 ( 1.504 6.716 1.728) 7.096 2.585 ( 0.279 -1.891 -1.619) 2.505 2.585 ( -0.279 -1.891 1.619) 2.505 2.751 ( -0.013 3.075 -1.598) 3.465 2.751 ( 0.013 3.075 1.598) 3.465 2.861 ( -4.253 4.822 -1.055) 6.516 2.861 ( 4.253 4.822 1.055) 6.516 2.917 ( -1.834 -8.056 -1.031) 8.326 2.917 ( 1.834 -8.056 1.031) 8.326 3.021 ( 0.051 -0.157 -3.124) 3.128 3.021 ( -0.051 -0.157 3.124) 3.128 3.080 ( 3.830 -1.737 -2.444) 4.864 3.080 ( -3.830 -1.737 2.444) 4.864 3.274 ( -2.340 -8.223 -0.021) 8.549 3.274 ( 2.340 -8.223 0.021) 8.549 3.422 ( -0.513 -0.553 -2.806) 2.906 3.422 ( 0.513 -0.553 2.806) 2.906 3.570 ( -0.962 -2.336 -1.882) 3.151 3.570 ( 0.962 -2.336 1.882) 3.151 3.806 ( -2.201 2.120 -0.888) 3.182 3.806 ( 2.201 2.120 0.888) 3.182 3.956 ( -2.344 -2.291 0.517) 3.318 3.956 ( 2.344 -2.291 -0.517) 3.318 4.544 ( -0.653 -1.262 -0.020) 1.422 4.544 ( 0.653 -1.262 0.020) 1.422 4.947 ( -1.103 -0.571 -1.989) 2.345 4.947 ( 1.103 -0.571 1.989) 2.345 5.093 ( -1.034 -0.292 -4.262) 4.395 5.093 ( 1.034 -0.292 4.262) 4.395 5.454 ( 0.835 0.108 -0.808) 1.167 5.454 ( -0.835 0.108 0.808) 1.167 5.965 ( -0.394 0.951 -1.273) 1.637 5.965 ( 0.394 0.951 1.273) 1.637 6.343 ( -3.489 4.993 -7.392) 9.578 6.343 ( 3.489 4.993 7.392) 9.578 6.576 ( -6.837 -0.908 -7.768) 10.388 6.576 ( 6.837 -0.908 7.768) 10.388 7.113 ( 0.998 -2.228 -2.741) 3.671 7.113 ( -0.998 -2.228 2.741) 3.671 7.560 ( -1.091 -2.435 -0.110) 2.671 7.560 ( 1.091 -2.435 0.110) 2.671 8.159 ( -0.520 0.725 -2.241) 2.412 8.159 ( 0.520 0.725 2.241) 2.412 11.754 ( -0.495 0.069 -0.479) 0.692 11.754 ( 0.495 0.069 0.479) 0.692 13.184 ( -0.814 2.631 -1.235) 3.018 13.184 ( 0.814 2.631 1.236) 3.018 13.777 ( 0.788 -1.534 -2.555) 3.082 13.777 ( -0.788 -1.534 2.555) 3.082 14.843 ( -1.072 0.507 -0.407) 1.254 14.843 ( 1.072 0.507 0.407) 1.254 15.109 ( 0.801 1.422 -1.678) 2.341 15.109 ( -0.801 1.422 1.678) 2.341 15.288 ( 4.556 -3.709 -3.558) 6.868 15.288 ( -4.556 -3.709 3.558) 6.868 16.001 ( -0.826 -0.107 -1.249) 1.502 16.001 ( 0.826 -0.107 1.250) 1.502 16.364 ( -1.055 -0.731 0.038) 1.284 16.364 ( 1.055 -0.731 -0.038) 1.284 ======================= Grid point 151 (69/72) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.789 7.063 1.131) 7.197 0.967 ( 0.662 -1.627 -1.167) 2.109 1.093 ( 3.790 3.172 -9.607) 10.804 1.119 ( 3.522 1.693 -3.190) 5.044 1.250 ( 4.224 3.133 1.877) 5.584 1.289 ( 3.544 -1.021 1.150) 3.864 1.336 ( 8.672 8.585 4.657) 13.061 1.402 ( 4.504 0.805 4.784) 6.620 1.467 ( 1.657 -5.261 2.949) 6.254 1.576 ( 7.265 -8.992 2.655) 11.861 1.806 ( -0.539 2.004 -5.628) 5.999 1.838 ( -0.008 -0.865 -3.100) 3.218 1.866 ( -0.364 5.209 -2.206) 5.668 1.909 ( 0.920 0.891 -1.554) 2.014 1.975 ( 0.538 1.085 1.769) 2.144 1.995 ( 0.601 -0.890 1.826) 2.118 2.060 ( 2.888 3.402 -0.212) 4.467 2.118 ( 0.661 1.681 -1.444) 2.312 2.149 ( 0.803 6.692 -1.319) 6.868 2.193 ( 2.613 0.585 -2.044) 3.369 2.207 ( 3.447 0.549 -2.540) 4.317 2.304 ( 0.460 0.735 5.133) 5.206 2.426 ( -2.749 8.940 -1.151) 9.424 2.446 ( -1.982 6.270 1.730) 6.800 2.485 ( 0.783 2.453 1.152) 2.821 2.528 ( -1.232 4.172 -0.413) 4.369 2.574 ( -0.553 -3.037 -0.849) 3.202 2.608 ( 0.617 -2.468 2.187) 3.355 2.727 ( -0.668 3.561 -2.369) 4.329 2.746 ( -0.865 6.337 -2.378) 6.823 2.801 ( -2.605 2.547 2.273) 4.294 2.873 ( -1.718 -1.552 -1.447) 2.730 2.929 ( -0.313 -6.989 -1.035) 7.072 2.951 ( -0.013 -5.216 -1.439) 5.411 2.967 ( -2.034 -4.354 0.454) 4.827 3.034 ( -2.492 0.756 4.188) 4.932 3.055 ( 1.379 -0.543 2.163) 2.622 3.155 ( 4.357 -0.526 0.685) 4.442 3.208 ( -3.967 -3.500 0.549) 5.319 3.291 ( 0.421 -8.537 -4.196) 9.521 3.397 ( -0.148 0.468 0.598) 0.774 3.432 ( -1.835 -3.230 0.896) 3.822 3.587 ( 1.527 0.043 3.646) 3.954 3.632 ( 1.490 -3.276 5.082) 6.227 3.726 ( -4.455 3.430 -0.647) 5.659 3.801 ( -3.262 -3.274 -0.084) 4.622 3.946 ( 1.678 1.046 -1.689) 2.600 3.984 ( 2.027 -1.677 -2.877) 3.898 4.518 ( -1.123 -1.011 -1.096) 1.867 4.536 ( -0.665 -2.375 -1.965) 3.154 4.880 ( -2.242 0.013 -2.307) 3.217 4.901 ( -1.999 -1.911 -2.935) 4.033 5.142 ( 0.821 2.251 6.447) 6.878 5.186 ( -0.625 -1.468 7.555) 7.721 5.406 ( -1.915 0.951 -3.614) 4.199 5.440 ( 1.445 -2.526 -3.018) 4.192 5.951 ( 0.292 2.073 -0.668) 2.198 5.978 ( -0.121 -0.441 0.715) 0.849 6.193 ( -3.701 5.744 -7.780) 10.355 6.293 ( -6.556 -3.937 -7.894) 10.991 6.536 ( -0.546 10.632 10.738) 15.121 6.713 ( -3.734 -5.529 10.160) 12.155 7.082 ( 1.441 2.539 -2.450) 3.811 7.142 ( 2.432 -2.361 -4.210) 5.405 7.552 ( 0.181 -1.589 0.439) 1.659 7.598 ( 2.534 -5.269 1.469) 6.029 8.126 ( -0.200 4.776 -1.954) 5.164 8.210 ( 2.921 -3.344 0.075) 4.441 11.742 ( -0.297 0.834 -0.144) 0.897 11.763 ( 0.077 -1.052 0.291) 1.095 13.165 ( -2.886 5.371 2.616) 6.635 13.209 ( -2.656 1.525 5.622) 6.402 13.624 ( -9.827 3.328 -4.959) 11.500 13.724 ( -4.244 -7.242 -3.887) 9.250 14.848 ( 1.537 2.175 -0.439) 2.699 14.883 ( 2.597 -1.163 -0.504) 2.889 15.112 ( 0.452 2.497 1.197) 2.805 15.132 ( 2.112 1.363 0.384) 2.543 15.296 ( 1.327 -0.494 3.364) 3.649 15.380 ( 8.693 -8.011 -3.492) 12.327 15.971 ( -1.579 1.740 -0.134) 2.353 16.015 ( -1.048 -2.444 1.411) 3.010 16.354 ( 0.530 1.410 -0.076) 1.508 16.396 ( 2.495 -2.493 -1.273) 3.750 ======================= Grid point 152 (70/72) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 2.285 3.829 -0.721) 4.516 0.935 ( 0.077 -0.664 -0.354) 0.756 1.160 ( 8.460 2.697 -2.902) 9.342 1.206 ( 7.674 -0.903 -1.669) 7.905 1.338 ( 4.548 3.091 -1.912) 5.822 1.361 ( 3.385 1.783 2.864) 4.779 1.495 ( 3.676 -1.631 1.517) 4.298 1.505 ( 3.432 -2.199 -3.357) 5.281 1.596 ( 8.305 5.595 7.387) 12.443 1.701 ( 5.026 -2.649 -0.562) 5.709 1.778 ( 2.149 -0.330 -1.065) 2.421 1.808 ( 1.558 -2.342 -2.091) 3.504 1.865 ( -0.713 4.891 3.164) 5.869 1.931 ( 0.316 -1.106 2.579) 2.824 1.985 ( 0.671 3.116 0.021) 3.187 2.034 ( 2.205 -1.236 -0.319) 2.548 2.139 ( 3.371 1.857 -1.697) 4.206 2.146 ( 4.412 3.068 -0.583) 5.406 2.185 ( 3.999 9.267 -2.457) 10.388 2.217 ( 2.854 4.922 -0.174) 5.692 2.251 ( 3.773 3.723 -2.665) 5.933 2.319 ( -3.312 8.808 3.462) 10.027 2.362 ( -2.861 6.737 0.650) 7.348 2.420 ( -1.700 4.503 1.915) 5.180 2.494 ( -0.724 -0.923 -0.982) 1.530 2.549 ( -1.334 -1.523 0.272) 2.043 2.570 ( 3.322 -4.799 3.280) 6.695 2.620 ( -0.975 1.936 -1.808) 2.822 2.671 ( -1.010 -3.839 -5.361) 6.671 2.706 ( -1.543 5.769 1.395) 6.132 2.792 ( -0.250 4.197 -1.651) 4.517 2.813 ( -2.652 2.593 1.317) 3.935 2.897 ( -2.579 -8.843 -0.865) 9.252 2.913 ( -0.989 -7.734 -2.571) 8.211 2.936 ( -2.185 -5.121 1.700) 5.821 2.979 ( -3.583 -5.897 -0.528) 6.920 3.121 ( 1.368 3.920 -0.060) 4.152 3.160 ( -1.792 1.227 1.228) 2.495 3.226 ( -0.927 -2.606 -3.664) 4.591 3.253 ( 2.773 -5.055 1.034) 5.857 3.391 ( -3.760 -1.978 2.379) 4.869 3.410 ( -1.386 -3.494 2.895) 4.744 3.610 ( -1.750 2.757 -1.281) 3.508 3.655 ( -3.646 0.814 -0.345) 3.752 3.696 ( 0.730 -2.287 3.672) 4.387 3.750 ( -2.544 -4.632 1.604) 5.522 3.957 ( 1.729 1.438 -2.116) 3.088 3.979 ( 1.319 -0.369 -3.219) 3.498 4.492 ( -0.824 -1.377 -0.278) 1.629 4.505 ( -1.149 -2.608 0.435) 2.883 4.839 ( -0.160 0.764 -0.929) 1.213 4.878 ( 0.264 -2.976 0.097) 2.989 5.114 ( -5.689 1.389 -0.808) 5.911 5.155 ( -6.567 -2.533 0.205) 7.042 5.404 ( 2.901 2.923 1.840) 4.511 5.487 ( 2.610 -4.821 2.302) 5.946 5.943 ( -1.257 1.029 -2.028) 2.598 5.975 ( 1.114 -1.725 -0.871) 2.231 6.105 ( 0.405 5.501 -2.868) 6.217 6.170 ( -1.782 -0.822 0.399) 2.002 6.568 ( -5.420 4.927 2.137) 7.630 6.625 ( -9.510 -0.950 0.512) 9.571 7.078 ( -0.207 5.628 0.602) 5.664 7.184 ( 4.896 -2.140 -1.318) 5.503 7.571 ( 1.282 -0.506 0.705) 1.548 7.664 ( 1.965 -7.244 1.912) 7.745 8.118 ( 1.329 6.984 -1.285) 7.225 8.251 ( 1.743 -5.675 -0.721) 5.981 11.743 ( 0.308 0.649 0.154) 0.735 11.763 ( -0.010 -1.168 -0.197) 1.184 13.085 ( -8.494 6.506 1.219) 10.768 13.138 ( -11.524 1.818 3.600) 12.209 13.469 ( -1.027 5.727 -1.674) 6.054 13.636 ( -1.331 -10.627 -2.429) 10.983 14.868 ( 1.166 2.252 -0.845) 2.672 14.903 ( 0.786 -0.968 -1.682) 2.094 15.153 ( 2.197 3.970 2.178) 5.033 15.190 ( 3.955 2.218 -0.171) 4.538 15.374 ( 2.938 -0.307 3.891) 4.886 15.496 ( 7.462 -10.614 -3.568) 13.456 15.947 ( -1.117 1.943 0.213) 2.251 15.993 ( -1.852 -2.498 0.055) 3.111 16.376 ( 1.363 1.520 0.577) 2.121 16.422 ( 1.715 -2.799 -1.216) 3.500 ======================= Grid point 153 (71/72) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 5.108 4.400 2.100) 7.062 1.011 ( 5.233 -1.726 4.372) 7.034 1.239 ( -0.794 1.855 -3.042) 3.650 1.275 ( 0.512 -1.300 -1.421) 1.993 1.406 ( 4.357 3.230 -0.745) 5.475 1.420 ( 3.753 0.789 -2.892) 4.803 1.506 ( 5.222 2.544 -3.481) 6.772 1.578 ( 3.307 -3.670 -1.126) 5.067 1.757 ( 2.810 2.760 4.069) 5.663 1.786 ( 3.641 0.822 2.749) 4.636 1.841 ( 4.065 1.116 2.122) 4.719 1.866 ( 3.680 -0.589 2.183) 4.319 1.904 ( 0.888 2.732 5.693) 6.376 1.957 ( -0.706 -2.055 4.653) 5.135 2.022 ( 3.756 4.683 -2.410) 6.469 2.053 ( 0.976 1.069 -2.399) 2.802 2.138 ( -1.099 1.148 -0.703) 1.738 2.162 ( -0.654 -0.248 -2.154) 2.265 2.203 ( 0.166 8.811 -1.861) 9.007 2.256 ( -2.372 5.718 0.822) 6.245 2.273 ( -0.101 8.408 -1.205) 8.495 2.306 ( 1.554 3.925 -0.490) 4.250 2.373 ( 2.745 8.794 1.677) 9.364 2.428 ( 0.727 3.975 0.678) 4.098 2.456 ( -3.367 -1.601 -1.048) 3.872 2.534 ( -2.947 1.936 1.097) 3.693 2.573 ( 2.862 3.414 -1.517) 4.706 2.625 ( 3.150 -2.762 -3.569) 5.503 2.649 ( 0.632 -0.154 -0.290) 0.712 2.707 ( -0.703 -3.413 0.487) 3.519 2.748 ( -4.856 -3.345 1.403) 6.061 2.801 ( -1.611 -5.214 -0.929) 5.536 2.838 ( 2.348 3.065 0.904) 3.965 2.895 ( -1.456 -2.406 -0.952) 2.969 2.934 ( 0.767 -7.061 0.254) 7.107 2.957 ( 1.274 -5.900 1.935) 6.339 3.071 ( -3.304 3.164 -3.637) 5.844 3.125 ( -2.634 -1.924 -3.731) 4.956 3.219 ( 2.358 1.025 2.100) 3.320 3.284 ( -0.706 -4.576 1.706) 4.934 3.357 ( -2.615 -1.878 1.267) 3.460 3.392 ( -2.657 -5.040 1.106) 5.804 3.555 ( -1.302 1.649 -2.643) 3.377 3.587 ( -2.391 -1.572 -1.198) 3.102 3.697 ( -3.241 -1.734 0.132) 3.678 3.707 ( -1.591 -2.787 -0.791) 3.306 3.973 ( 0.945 0.554 -0.241) 1.122 3.979 ( 0.813 -0.160 -1.137) 1.407 4.496 ( 0.424 -1.000 1.535) 1.880 4.509 ( -0.371 -2.259 2.426) 3.336 4.852 ( 1.475 1.291 0.746) 2.097 4.897 ( 1.118 -3.235 1.034) 3.575 5.000 ( -4.158 -0.423 -3.218) 5.275 5.033 ( -5.206 -3.421 -1.575) 6.426 5.475 ( 1.614 1.831 2.940) 3.821 5.528 ( -0.427 -3.030 1.679) 3.490 5.929 ( 2.088 3.642 0.851) 4.283 6.030 ( 5.086 -5.816 2.269) 8.053 6.119 ( 1.493 7.114 -2.145) 7.579 6.195 ( 1.225 0.221 2.250) 2.572 6.382 ( -9.390 3.441 -4.432) 10.938 6.451 ( -9.053 -3.662 -4.976) 10.961 7.126 ( 1.893 8.224 5.342) 9.988 7.238 ( 1.864 -0.564 -1.416) 2.408 7.604 ( 1.440 -0.669 0.999) 1.876 7.679 ( -0.780 -5.426 -0.697) 5.526 8.154 ( 2.536 4.198 1.114) 5.030 8.252 ( -0.374 -4.772 -1.510) 5.019 11.752 ( 0.499 0.217 0.175) 0.572 11.762 ( 0.199 -0.604 -0.378) 0.739 12.936 ( -6.957 4.598 -0.435) 8.351 12.953 ( -8.629 3.097 -0.021) 9.168 13.507 ( 2.102 2.466 3.523) 4.787 13.610 ( -0.298 -7.525 -1.750) 7.732 14.873 ( 0.377 1.461 -0.735) 1.678 14.890 ( -0.155 -0.093 -1.647) 1.657 15.217 ( 2.055 5.302 2.597) 6.252 15.250 ( 3.026 4.344 -1.257) 5.441 15.462 ( 2.105 -3.403 4.938) 6.356 15.557 ( 3.399 -10.498 -4.460) 11.902 15.938 ( -0.189 1.122 0.348) 1.190 15.963 ( -0.986 -1.260 -0.714) 1.752 16.403 ( 0.924 0.477 0.660) 1.231 16.431 ( 0.290 -2.103 -0.703) 2.236 ======================= Grid point 154 (72/72) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -5.971 4.333 -4.045) 8.414 1.091 ( 5.971 4.333 4.045) 8.414 1.181 ( -4.646 -2.673 -5.082) 7.386 1.181 ( 4.646 -2.673 5.082) 7.386 1.450 ( 1.860 3.532 -2.940) 4.958 1.450 ( -1.860 3.532 2.940) 4.958 1.583 ( 2.636 -0.971 -3.251) 4.296 1.583 ( -2.636 -0.971 3.251) 4.296 1.809 ( 0.788 1.045 -2.377) 2.713 1.809 ( -0.788 1.045 2.377) 2.713 1.926 ( 0.191 0.835 -0.717) 1.117 1.926 ( -0.191 0.835 0.717) 1.117 1.974 ( 1.914 0.854 -6.202) 6.547 1.974 ( -1.914 0.854 6.202) 6.547 2.045 ( 2.492 2.171 -4.578) 5.646 2.045 ( -2.492 2.171 4.578) 5.646 2.109 ( -0.521 2.533 -1.516) 2.998 2.109 ( 0.521 2.533 1.516) 2.998 2.222 ( 0.769 8.778 -1.219) 8.895 2.222 ( -0.769 8.778 1.219) 8.895 2.269 ( -1.697 0.927 -2.650) 3.281 2.269 ( 1.697 0.927 2.650) 3.281 2.415 ( -0.985 -0.911 -0.527) 1.441 2.415 ( 0.985 -0.911 0.527) 1.441 2.475 ( 0.109 9.260 -1.129) 9.329 2.475 ( -0.109 9.260 1.129) 9.329 2.622 ( 4.470 -2.734 -3.070) 6.072 2.622 ( -4.470 -2.734 3.070) 6.072 2.679 ( -2.329 -5.635 -1.853) 6.373 2.679 ( 2.329 -5.635 1.853) 6.373 2.744 ( -2.480 5.183 -2.990) 6.477 2.744 ( 2.480 5.183 2.990) 6.477 2.884 ( -0.042 0.537 -0.647) 0.842 2.884 ( 0.042 0.537 0.647) 0.842 2.965 ( -2.874 -5.771 -0.650) 6.480 2.965 ( 2.874 -5.771 0.650) 6.480 3.040 ( -1.925 -2.359 -4.504) 5.437 3.040 ( 1.925 -2.359 4.504) 5.437 3.283 ( -1.677 -1.239 -2.393) 3.174 3.283 ( 1.677 -1.239 2.393) 3.174 3.340 ( -2.791 -4.373 -0.767) 5.244 3.340 ( 2.791 -4.373 0.767) 5.244 3.544 ( -0.800 -0.479 -0.707) 1.170 3.544 ( 0.800 -0.479 0.707) 1.170 3.673 ( -0.091 -2.443 -1.519) 2.878 3.673 ( 0.091 -2.443 1.519) 2.878 3.980 ( 0.113 -0.143 -0.426) 0.464 3.980 ( -0.113 -0.143 0.426) 0.464 4.516 ( 0.373 -1.278 -0.720) 1.513 4.516 ( -0.373 -1.278 0.720) 1.513 4.901 ( -2.258 0.423 -1.503) 2.745 4.901 ( 2.258 0.423 1.503) 2.745 4.953 ( -2.542 -3.817 -0.281) 4.594 4.953 ( 2.542 -3.817 0.281) 4.594 5.515 ( -0.903 -0.545 -0.938) 1.411 5.515 ( 0.903 -0.545 0.938) 1.411 6.037 ( -5.299 7.033 -5.284) 10.270 6.037 ( 5.299 7.033 5.284) 10.270 6.187 ( -5.655 -5.925 -3.933) 9.085 6.187 ( 5.655 -5.925 3.933) 9.085 6.276 ( 0.572 1.111 -3.158) 3.396 6.276 ( -0.572 1.111 3.158) 3.396 7.211 ( -1.375 4.815 -4.674) 6.850 7.211 ( 1.375 4.815 4.674) 6.850 7.643 ( -0.913 -2.813 -2.140) 3.650 7.643 ( 0.913 -2.813 2.140) 3.650 8.213 ( -1.550 -0.967 -2.399) 3.016 8.213 ( 1.550 -0.967 2.399) 3.016 11.760 ( -0.021 -0.134 -0.344) 0.370 11.760 ( 0.021 -0.134 0.344) 0.370 12.870 ( 0.499 3.454 -0.248) 3.498 12.870 ( -0.499 3.454 0.248) 3.498 13.573 ( -1.321 -2.392 -3.193) 4.202 13.573 ( 1.321 -2.392 3.193) 4.202 14.875 ( -0.232 0.655 -0.426) 0.815 14.875 ( 0.232 0.655 0.426) 0.815 15.261 ( 0.506 5.797 -2.781) 6.449 15.261 ( -0.506 5.797 2.781) 6.449 15.535 ( -0.241 -7.677 -5.315) 9.341 15.535 ( 0.241 -7.677 5.315) 9.341 15.945 ( -0.249 -0.087 -0.753) 0.798 15.945 ( 0.249 -0.087 0.753) 0.798 16.422 ( 0.408 -0.848 -1.524) 1.792 16.422 ( -0.408 -0.848 1.524) 1.792 =================== 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 3/18816 10.0 73.110 45.873 54.903 0.000 0.041 0.000 3/18816 20.0 12.665 8.822 9.025 0.000 0.156 0.000 3/18816 30.0 5.692 4.272 4.054 0.000 0.053 0.000 3/18816 40.0 3.542 2.791 2.549 0.000 0.038 0.000 3/18816 50.0 2.560 2.079 1.862 0.000 0.034 0.000 3/18816 60.0 2.008 1.662 1.474 0.000 0.032 0.000 3/18816 70.0 1.657 1.390 1.225 0.000 0.030 0.000 3/18816 80.0 1.415 1.198 1.052 0.000 0.028 0.000 3/18816 90.0 1.239 1.057 0.926 0.000 0.025 0.000 3/18816 100.0 1.104 0.949 0.829 0.000 0.024 0.000 3/18816 110.0 0.998 0.863 0.753 0.000 0.022 0.000 3/18816 120.0 0.913 0.794 0.691 0.000 0.020 0.000 3/18816 130.0 0.842 0.737 0.640 0.000 0.019 0.000 3/18816 140.0 0.783 0.689 0.598 0.000 0.018 0.000 3/18816 150.0 0.733 0.648 0.561 0.000 0.016 0.000 3/18816 160.0 0.689 0.612 0.529 0.000 0.015 0.000 3/18816 170.0 0.650 0.581 0.501 0.000 0.014 0.000 3/18816 180.0 0.616 0.553 0.477 0.000 0.013 0.000 3/18816 190.0 0.586 0.528 0.455 0.000 0.013 0.000 3/18816 200.0 0.559 0.505 0.435 0.000 0.012 0.000 3/18816 210.0 0.534 0.484 0.416 0.000 0.011 0.000 3/18816 220.0 0.512 0.465 0.400 0.000 0.011 0.000 3/18816 230.0 0.491 0.448 0.385 0.000 0.010 0.000 3/18816 240.0 0.472 0.432 0.371 0.000 0.009 0.000 3/18816 250.0 0.455 0.417 0.357 0.000 0.009 0.000 3/18816 260.0 0.439 0.403 0.345 0.000 0.009 0.000 3/18816 270.0 0.424 0.390 0.334 0.000 0.008 0.000 3/18816 280.0 0.410 0.378 0.323 0.000 0.008 0.000 3/18816 290.0 0.396 0.366 0.313 0.000 0.007 0.000 3/18816 300.0 0.384 0.355 0.304 0.000 0.007 0.000 3/18816 310.0 0.372 0.345 0.295 0.000 0.007 0.000 3/18816 320.0 0.362 0.336 0.287 0.000 0.007 0.000 3/18816 330.0 0.351 0.326 0.279 0.000 0.006 0.000 3/18816 340.0 0.342 0.318 0.272 0.000 0.006 0.000 3/18816 350.0 0.332 0.310 0.264 0.000 0.006 0.000 3/18816 360.0 0.324 0.302 0.258 0.000 0.006 0.000 3/18816 370.0 0.315 0.294 0.251 0.000 0.005 0.000 3/18816 380.0 0.308 0.287 0.245 0.000 0.005 0.000 3/18816 390.0 0.300 0.280 0.239 0.000 0.005 0.000 3/18816 400.0 0.293 0.274 0.234 0.000 0.005 0.000 3/18816 410.0 0.286 0.268 0.229 0.000 0.005 0.000 3/18816 420.0 0.280 0.262 0.224 0.000 0.005 0.000 3/18816 430.0 0.273 0.256 0.219 0.000 0.005 0.000 3/18816 440.0 0.267 0.251 0.214 0.000 0.004 0.000 3/18816 450.0 0.262 0.246 0.210 0.000 0.004 0.000 3/18816 460.0 0.256 0.241 0.205 0.000 0.004 0.000 3/18816 470.0 0.251 0.236 0.201 0.000 0.004 0.000 3/18816 480.0 0.246 0.231 0.197 0.000 0.004 0.000 3/18816 490.0 0.241 0.227 0.193 0.000 0.004 0.000 3/18816 500.0 0.237 0.223 0.190 0.000 0.004 0.000 3/18816 510.0 0.232 0.218 0.186 0.000 0.004 0.000 3/18816 520.0 0.228 0.214 0.183 0.000 0.004 0.000 3/18816 530.0 0.224 0.211 0.180 0.000 0.004 0.000 3/18816 540.0 0.220 0.207 0.176 0.000 0.003 0.000 3/18816 550.0 0.216 0.203 0.173 0.000 0.003 0.000 3/18816 560.0 0.212 0.200 0.170 0.000 0.003 0.000 3/18816 570.0 0.208 0.196 0.167 0.000 0.003 0.000 3/18816 580.0 0.205 0.193 0.165 0.000 0.003 0.000 3/18816 590.0 0.201 0.190 0.162 0.000 0.003 0.000 3/18816 600.0 0.198 0.187 0.159 0.000 0.003 0.000 3/18816 610.0 0.195 0.184 0.157 0.000 0.003 0.000 3/18816 620.0 0.192 0.181 0.154 0.000 0.003 0.000 3/18816 630.0 0.189 0.179 0.152 0.000 0.003 0.000 3/18816 640.0 0.186 0.176 0.150 0.000 0.003 0.000 3/18816 650.0 0.183 0.173 0.148 0.000 0.003 0.000 3/18816 660.0 0.181 0.171 0.145 0.000 0.003 0.000 3/18816 670.0 0.178 0.168 0.143 0.000 0.003 0.000 3/18816 680.0 0.175 0.166 0.141 0.000 0.003 0.000 3/18816 690.0 0.173 0.164 0.139 0.000 0.003 0.000 3/18816 700.0 0.170 0.161 0.137 0.000 0.003 0.000 3/18816 710.0 0.168 0.159 0.135 0.000 0.003 0.000 3/18816 720.0 0.166 0.157 0.134 0.000 0.002 0.000 3/18816 730.0 0.164 0.155 0.132 0.000 0.002 0.000 3/18816 740.0 0.161 0.153 0.130 0.000 0.002 0.000 3/18816 750.0 0.159 0.151 0.128 0.000 0.002 0.000 3/18816 760.0 0.157 0.149 0.127 0.000 0.002 0.000 3/18816 770.0 0.155 0.147 0.125 0.000 0.002 0.000 3/18816 780.0 0.153 0.145 0.124 0.000 0.002 0.000 3/18816 790.0 0.151 0.143 0.122 0.000 0.002 0.000 3/18816 800.0 0.150 0.142 0.121 0.000 0.002 0.000 3/18816 810.0 0.148 0.140 0.119 0.000 0.002 0.000 3/18816 820.0 0.146 0.138 0.118 0.000 0.002 0.000 3/18816 830.0 0.144 0.137 0.116 0.000 0.002 0.000 3/18816 840.0 0.143 0.135 0.115 0.000 0.002 0.000 3/18816 850.0 0.141 0.134 0.114 0.000 0.002 0.000 3/18816 860.0 0.139 0.132 0.112 0.000 0.002 0.000 3/18816 870.0 0.138 0.131 0.111 0.000 0.002 0.000 3/18816 880.0 0.136 0.129 0.110 0.000 0.002 0.000 3/18816 890.0 0.135 0.128 0.109 0.000 0.002 0.000 3/18816 900.0 0.133 0.126 0.107 0.000 0.002 0.000 3/18816 910.0 0.132 0.125 0.106 0.000 0.002 0.000 3/18816 920.0 0.130 0.124 0.105 0.000 0.002 0.000 3/18816 930.0 0.129 0.122 0.104 0.000 0.002 0.000 3/18816 940.0 0.128 0.121 0.103 0.000 0.002 0.000 3/18816 950.0 0.126 0.120 0.102 0.000 0.002 0.000 3/18816 960.0 0.125 0.118 0.101 0.000 0.002 0.000 3/18816 970.0 0.124 0.117 0.100 0.000 0.002 0.000 3/18816 980.0 0.122 0.116 0.099 0.000 0.002 0.000 3/18816 990.0 0.121 0.115 0.098 0.000 0.002 0.000 3/18816 1000.0 0.120 0.114 0.097 0.000 0.002 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:33:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|