----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:24:19]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 5.619685290000000 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): *1 Cd 0.11125591744593 0.74997454125246 0.49999653791230 112.411 2 Cd 0.88874408255407 0.24997454125246 0.00000346208770 112.411 3 Cd 0.11125591744593 0.75002545874754 0.99999653791230 112.411 4 Cd 0.88874408255407 0.25002545874754 0.50000346208770 112.411 *5 Ge 0.65138183061264 0.74992177982437 0.00001892724660 72.640 6 Ge 0.34861816938736 0.24992177982437 0.49998107275340 72.640 7 Ge 0.65138183061264 0.75007822017563 0.50001892724660 72.640 8 Ge 0.34861816938736 0.25007822017563 0.99998107275340 72.640 *9 Bi 0.85417920680195 0.28748772970403 0.74183789584119 208.980 10 Bi 0.85417920680195 0.21251227029597 0.24183789584119 208.980 11 Bi 0.14582079319805 0.78748772970403 0.75816210415881 208.980 *12 Bi 0.62953407124441 0.71251692028880 0.24190149643459 208.980 13 Bi 0.37046592875559 0.28748307971120 0.75809850356541 208.980 14 Bi 0.37046592875559 0.21251692028880 0.25809850356541 208.980 15 Bi 0.14582079319805 0.71251227029597 0.25816210415881 208.980 16 Bi 0.62953407124441 0.78748307971120 0.74190149643459 208.980 *17 O 0.82430363718135 0.49017597924801 0.85379980466558 15.999 18 O 0.17569636281865 0.50982402075199 0.14620019533442 15.999 *19 O 0.67171920117762 0.96632345835113 0.92182218962278 15.999 *20 O 0.56921767205218 0.12325157928024 0.62212520504343 15.999 21 O 0.43078232794782 0.87674842071976 0.37787479495657 15.999 *22 O 0.88326739590672 0.99018102615370 0.85378475220980 15.999 *23 O 0.32498772317632 0.12326601520190 0.87788348380212 15.999 24 O 0.17569636281865 0.99017597924801 0.64620019533442 15.999 25 O 0.67501227682368 0.62326601520190 0.62211651619788 15.999 26 O 0.56921767205218 0.37674842071976 0.12212520504343 15.999 *27 O 0.17197512633976 0.46659303567761 0.92176900298017 15.999 28 O 0.32498772317632 0.37673398479810 0.37788348380212 15.999 29 O 0.43078232794782 0.62325157928024 0.87787479495657 15.999 30 O 0.32828079882238 0.46632345835113 0.57817781037722 15.999 31 O 0.11673260409328 0.00981897384630 0.14621524779020 15.999 32 O 0.17197512633976 0.03340696432239 0.42176900298017 15.999 33 O 0.32828079882238 0.03367654164887 0.07817781037722 15.999 34 O 0.67501227682368 0.87673398479810 0.12211651619788 15.999 35 O 0.82430363718135 0.00982402075199 0.35379980466558 15.999 36 O 0.82802487366024 0.96659303567761 0.57823099701983 15.999 37 O 0.67171920117762 0.53367654164887 0.42182218962278 15.999 38 O 0.82802487366024 0.53340696432239 0.07823099701983 15.999 39 O 0.88326739590672 0.50981897384630 0.35378475220980 15.999 40 O 0.11673260409328 0.49018102615370 0.64621524779020 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 5.619685290000000 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): *1 Cd 0.11125591744593 0.74997454125246 0.49999653791230 112.411 > 1 2 Cd 0.88874408255407 0.24997454125246 0.00000346208770 112.411 > 2 3 Cd 0.11125591744593 0.75002545874754 0.99999653791230 112.411 > 3 4 Cd 0.88874408255407 0.25002545874754 0.50000346208770 112.411 > 4 *5 Ge 0.65138183061264 0.74992177982437 0.00001892724660 72.640 > 5 6 Ge 0.34861816938736 0.24992177982437 0.49998107275340 72.640 > 6 7 Ge 0.65138183061264 0.75007822017563 0.50001892724660 72.640 > 7 8 Ge 0.34861816938736 0.25007822017563 0.99998107275340 72.640 > 8 *9 Bi 0.85417920680195 0.28748772970403 0.74183789584119 208.980 > 9 10 Bi 0.85417920680195 0.21251227029597 0.24183789584119 208.980 > 10 11 Bi 0.14582079319805 0.78748772970403 0.75816210415881 208.980 > 11 *12 Bi 0.62953407124441 0.71251692028880 0.24190149643459 208.980 > 12 13 Bi 0.37046592875559 0.28748307971120 0.75809850356541 208.980 > 13 14 Bi 0.37046592875559 0.21251692028880 0.25809850356541 208.980 > 14 15 Bi 0.14582079319805 0.71251227029597 0.25816210415881 208.980 > 15 16 Bi 0.62953407124441 0.78748307971120 0.74190149643459 208.980 > 16 *17 O 0.82430363718135 0.49017597924801 0.85379980466558 15.999 > 17 18 O 0.17569636281865 0.50982402075199 0.14620019533442 15.999 > 18 *19 O 0.67171920117762 0.96632345835113 0.92182218962278 15.999 > 19 *20 O 0.56921767205218 0.12325157928024 0.62212520504343 15.999 > 20 21 O 0.43078232794782 0.87674842071976 0.37787479495657 15.999 > 21 *22 O 0.88326739590672 0.99018102615370 0.85378475220980 15.999 > 22 *23 O 0.32498772317632 0.12326601520190 0.87788348380212 15.999 > 23 24 O 0.17569636281865 0.99017597924801 0.64620019533442 15.999 > 24 25 O 0.67501227682368 0.62326601520190 0.62211651619788 15.999 > 25 26 O 0.56921767205218 0.37674842071976 0.12212520504343 15.999 > 26 *27 O 0.17197512633976 0.46659303567761 0.92176900298017 15.999 > 27 28 O 0.32498772317632 0.37673398479810 0.37788348380212 15.999 > 28 29 O 0.43078232794782 0.62325157928024 0.87787479495657 15.999 > 29 30 O 0.32828079882238 0.46632345835113 0.57817781037722 15.999 > 30 31 O 0.11673260409328 0.00981897384630 0.14621524779020 15.999 > 31 32 O 0.17197512633976 0.03340696432239 0.42176900298017 15.999 > 32 33 O 0.32828079882238 0.03367654164887 0.07817781037722 15.999 > 33 34 O 0.67501227682368 0.87673398479810 0.12211651619788 15.999 > 34 35 O 0.82430363718135 0.00982402075199 0.35379980466558 15.999 > 35 36 O 0.82802487366024 0.96659303567761 0.57823099701983 15.999 > 36 37 O 0.67171920117762 0.53367654164887 0.42182218962278 15.999 > 37 38 O 0.82802487366024 0.53340696432239 0.07823099701983 15.999 > 38 39 O 0.88326739590672 0.50981897384630 0.35378475220980 15.999 > 39 40 O 0.11673260409328 0.49018102615370 0.64621524779020 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 11.239370579999999 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): *1 Cd 0.11125591744593 0.37498727062623 0.49999653791230 112.411 > 1 2 Cd 0.11125591744593 0.87498727062623 0.49999653791230 112.411 > 1 3 Cd 0.88874408255407 0.12498727062623 0.00000346208770 112.411 > 2 4 Cd 0.88874408255407 0.62498727062623 0.00000346208770 112.411 > 2 5 Cd 0.11125591744593 0.37501272937377 0.99999653791230 112.411 > 3 6 Cd 0.11125591744593 0.87501272937377 0.99999653791230 112.411 > 3 7 Cd 0.88874408255407 0.12501272937377 0.50000346208770 112.411 > 4 8 Cd 0.88874408255407 0.62501272937377 0.50000346208770 112.411 > 4 *9 Ge 0.65138183061264 0.37496088991219 0.00001892724660 72.640 > 5 10 Ge 0.65138183061264 0.87496088991219 0.00001892724660 72.640 > 5 11 Ge 0.34861816938736 0.12496088991219 0.49998107275340 72.640 > 6 12 Ge 0.34861816938736 0.62496088991219 0.49998107275340 72.640 > 6 13 Ge 0.65138183061264 0.37503911008781 0.50001892724660 72.640 > 7 14 Ge 0.65138183061264 0.87503911008781 0.50001892724660 72.640 > 7 15 Ge 0.34861816938736 0.12503911008781 0.99998107275340 72.640 > 8 16 Ge 0.34861816938736 0.62503911008781 0.99998107275340 72.640 > 8 *17 Bi 0.85417920680195 0.14374386485202 0.74183789584119 208.980 > 9 18 Bi 0.85417920680195 0.64374386485202 0.74183789584119 208.980 > 9 19 Bi 0.85417920680195 0.10625613514798 0.24183789584119 208.980 > 10 20 Bi 0.85417920680195 0.60625613514798 0.24183789584119 208.980 > 10 21 Bi 0.14582079319805 0.39374386485202 0.75816210415881 208.980 > 11 22 Bi 0.14582079319805 0.89374386485202 0.75816210415881 208.980 > 11 *23 Bi 0.62953407124441 0.35625846014440 0.24190149643459 208.980 > 12 24 Bi 0.62953407124441 0.85625846014440 0.24190149643459 208.980 > 12 25 Bi 0.37046592875559 0.14374153985560 0.75809850356541 208.980 > 13 26 Bi 0.37046592875559 0.64374153985560 0.75809850356541 208.980 > 13 27 Bi 0.37046592875559 0.10625846014440 0.25809850356541 208.980 > 14 28 Bi 0.37046592875559 0.60625846014440 0.25809850356541 208.980 > 14 29 Bi 0.14582079319805 0.35625613514798 0.25816210415881 208.980 > 15 30 Bi 0.14582079319805 0.85625613514798 0.25816210415881 208.980 > 15 31 Bi 0.62953407124441 0.39374153985560 0.74190149643459 208.980 > 16 32 Bi 0.62953407124441 0.89374153985560 0.74190149643459 208.980 > 16 *33 O 0.82430363718135 0.24508798962400 0.85379980466558 15.999 > 17 34 O 0.82430363718135 0.74508798962400 0.85379980466558 15.999 > 17 35 O 0.17569636281865 0.25491201037600 0.14620019533442 15.999 > 18 36 O 0.17569636281865 0.75491201037600 0.14620019533442 15.999 > 18 *37 O 0.67171920117762 0.48316172917557 0.92182218962278 15.999 > 19 38 O 0.67171920117762 0.98316172917557 0.92182218962278 15.999 > 19 *39 O 0.56921767205218 0.06162578964012 0.62212520504343 15.999 > 20 40 O 0.56921767205218 0.56162578964012 0.62212520504343 15.999 > 20 41 O 0.43078232794782 0.43837421035988 0.37787479495657 15.999 > 21 42 O 0.43078232794782 0.93837421035988 0.37787479495657 15.999 > 21 *43 O 0.88326739590672 0.49509051307685 0.85378475220980 15.999 > 22 44 O 0.88326739590672 0.99509051307685 0.85378475220980 15.999 > 22 *45 O 0.32498772317632 0.06163300760095 0.87788348380212 15.999 > 23 46 O 0.32498772317632 0.56163300760095 0.87788348380212 15.999 > 23 47 O 0.17569636281865 0.49508798962400 0.64620019533442 15.999 > 24 48 O 0.17569636281865 0.99508798962400 0.64620019533442 15.999 > 24 49 O 0.67501227682368 0.31163300760095 0.62211651619788 15.999 > 25 50 O 0.67501227682368 0.81163300760095 0.62211651619788 15.999 > 25 51 O 0.56921767205218 0.18837421035988 0.12212520504343 15.999 > 26 52 O 0.56921767205218 0.68837421035988 0.12212520504343 15.999 > 26 *53 O 0.17197512633976 0.23329651783880 0.92176900298017 15.999 > 27 54 O 0.17197512633976 0.73329651783880 0.92176900298017 15.999 > 27 55 O 0.32498772317632 0.18836699239905 0.37788348380212 15.999 > 28 56 O 0.32498772317632 0.68836699239905 0.37788348380212 15.999 > 28 57 O 0.43078232794782 0.31162578964012 0.87787479495657 15.999 > 29 58 O 0.43078232794782 0.81162578964012 0.87787479495657 15.999 > 29 59 O 0.32828079882238 0.23316172917557 0.57817781037722 15.999 > 30 60 O 0.32828079882238 0.73316172917557 0.57817781037722 15.999 > 30 61 O 0.11673260409328 0.00490948692315 0.14621524779020 15.999 > 31 62 O 0.11673260409328 0.50490948692315 0.14621524779020 15.999 > 31 63 O 0.17197512633976 0.01670348216120 0.42176900298017 15.999 > 32 64 O 0.17197512633976 0.51670348216120 0.42176900298017 15.999 > 32 65 O 0.32828079882238 0.01683827082443 0.07817781037722 15.999 > 33 66 O 0.32828079882238 0.51683827082443 0.07817781037722 15.999 > 33 67 O 0.67501227682368 0.43836699239905 0.12211651619788 15.999 > 34 68 O 0.67501227682368 0.93836699239905 0.12211651619788 15.999 > 34 69 O 0.82430363718135 0.00491201037600 0.35379980466558 15.999 > 35 70 O 0.82430363718135 0.50491201037600 0.35379980466558 15.999 > 35 71 O 0.82802487366024 0.48329651783880 0.57823099701983 15.999 > 36 72 O 0.82802487366024 0.98329651783880 0.57823099701983 15.999 > 36 73 O 0.67171920117762 0.26683827082443 0.42182218962278 15.999 > 37 74 O 0.67171920117762 0.76683827082443 0.42182218962278 15.999 > 37 75 O 0.82802487366024 0.26670348216120 0.07823099701983 15.999 > 38 76 O 0.82802487366024 0.76670348216120 0.07823099701983 15.999 > 38 77 O 0.88326739590672 0.25490948692315 0.35378475220980 15.999 > 39 78 O 0.88326739590672 0.75490948692315 0.35378475220980 15.999 > 39 79 O 0.11673260409328 0.24509051307685 0.64621524779020 15.999 > 40 80 O 0.11673260409328 0.74509051307685 0.64621524779020 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9531324 0.0000000 0.0006937 0.0000000 5.5983745 0.0000000 0.0006921 0.0000000 5.2286076 -------------------------- Born effective charges -------------------------- 1 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 2 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 3 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 4 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 5 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 6 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 7 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 8 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 9 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 10 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 11 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 12 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 13 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 14 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 15 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 16 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 17 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 18 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 19 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 20 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 21 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 22 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 23 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 24 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 25 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 26 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 27 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 28 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 29 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 30 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 31 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 32 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 33 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 34 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 35 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 36 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 37 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 38 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 39 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 40 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.987 Solver_block: 200 / 1200 - Time: 0.687 Solver_block: 300 / 1200 - Time: 0.678 Solver_block: 400 / 1200 - Time: 0.734 Solver_block: 500 / 1200 - Time: 0.687 Solver_block: 600 / 1200 - Time: 0.800 Solver_block: 700 / 1200 - Time: 0.839 Solver_block: 800 / 1200 - Time: 2.075 Solver_block: 900 / 1200 - Time: 1.769 Solver_block: 1000 / 1200 - Time: 0.940 Solver_block: 1100 / 1200 - Time: 1.143 Solver_block: 1200 / 1200 - Time: 0.736 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.514 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 17), data: (800, 37) @ (37, 17) |-- (300, 283), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:25:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:25:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 5.619685290000000 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): 1 Cd 0.11125591744593 0.74997454125246 0.49999653791230 112.411 2 Cd 0.88874408255407 0.24997454125246 0.00000346208770 112.411 3 Cd 0.11125591744593 0.75002545874754 0.99999653791230 112.411 4 Cd 0.88874408255407 0.25002545874754 0.50000346208770 112.411 5 Ge 0.65138183061264 0.74992177982437 0.00001892724660 72.640 6 Ge 0.34861816938736 0.24992177982437 0.49998107275340 72.640 7 Ge 0.65138183061264 0.75007822017563 0.50001892724660 72.640 8 Ge 0.34861816938736 0.25007822017563 0.99998107275340 72.640 9 Bi 0.85417920680195 0.28748772970403 0.74183789584119 208.980 10 Bi 0.85417920680195 0.21251227029597 0.24183789584119 208.980 11 Bi 0.14582079319805 0.78748772970403 0.75816210415881 208.980 12 Bi 0.62953407124441 0.71251692028880 0.24190149643459 208.980 13 Bi 0.37046592875559 0.28748307971120 0.75809850356541 208.980 14 Bi 0.37046592875559 0.21251692028880 0.25809850356541 208.980 15 Bi 0.14582079319805 0.71251227029597 0.25816210415881 208.980 16 Bi 0.62953407124441 0.78748307971120 0.74190149643459 208.980 17 O 0.82430363718135 0.49017597924801 0.85379980466558 15.999 18 O 0.17569636281865 0.50982402075199 0.14620019533442 15.999 19 O 0.67171920117762 0.96632345835113 0.92182218962278 15.999 20 O 0.56921767205218 0.12325157928024 0.62212520504343 15.999 21 O 0.43078232794782 0.87674842071976 0.37787479495657 15.999 22 O 0.88326739590672 0.99018102615370 0.85378475220980 15.999 23 O 0.32498772317632 0.12326601520190 0.87788348380212 15.999 24 O 0.17569636281865 0.99017597924801 0.64620019533442 15.999 25 O 0.67501227682368 0.62326601520190 0.62211651619788 15.999 26 O 0.56921767205218 0.37674842071976 0.12212520504343 15.999 27 O 0.17197512633976 0.46659303567761 0.92176900298017 15.999 28 O 0.32498772317632 0.37673398479810 0.37788348380212 15.999 29 O 0.43078232794782 0.62325157928024 0.87787479495657 15.999 30 O 0.32828079882238 0.46632345835113 0.57817781037722 15.999 31 O 0.11673260409328 0.00981897384630 0.14621524779020 15.999 32 O 0.17197512633976 0.03340696432239 0.42176900298017 15.999 33 O 0.32828079882238 0.03367654164887 0.07817781037722 15.999 34 O 0.67501227682368 0.87673398479810 0.12211651619788 15.999 35 O 0.82430363718135 0.00982402075199 0.35379980466558 15.999 36 O 0.82802487366024 0.96659303567761 0.57823099701983 15.999 37 O 0.67171920117762 0.53367654164887 0.42182218962278 15.999 38 O 0.82802487366024 0.53340696432239 0.07823099701983 15.999 39 O 0.88326739590672 0.50981897384630 0.35378475220980 15.999 40 O 0.11673260409328 0.49018102615370 0.64621524779020 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 11.239370579999999 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): 1 Cd 0.11125591744593 0.37498727062623 0.49999653791230 112.411 > 1 2 Cd 0.11125591744593 0.87498727062623 0.49999653791230 112.411 > 1 3 Cd 0.88874408255407 0.12498727062623 0.00000346208770 112.411 > 3 4 Cd 0.88874408255407 0.62498727062623 0.00000346208770 112.411 > 3 5 Cd 0.11125591744593 0.37501272937377 0.99999653791230 112.411 > 5 6 Cd 0.11125591744593 0.87501272937377 0.99999653791230 112.411 > 5 7 Cd 0.88874408255407 0.12501272937377 0.50000346208770 112.411 > 7 8 Cd 0.88874408255407 0.62501272937377 0.50000346208770 112.411 > 7 9 Ge 0.65138183061264 0.37496088991219 0.00001892724660 72.640 > 9 10 Ge 0.65138183061264 0.87496088991219 0.00001892724660 72.640 > 9 11 Ge 0.34861816938736 0.12496088991219 0.49998107275340 72.640 > 11 12 Ge 0.34861816938736 0.62496088991219 0.49998107275340 72.640 > 11 13 Ge 0.65138183061264 0.37503911008781 0.50001892724660 72.640 > 13 14 Ge 0.65138183061264 0.87503911008781 0.50001892724660 72.640 > 13 15 Ge 0.34861816938736 0.12503911008781 0.99998107275340 72.640 > 15 16 Ge 0.34861816938736 0.62503911008781 0.99998107275340 72.640 > 15 17 Bi 0.85417920680195 0.14374386485202 0.74183789584119 208.980 > 17 18 Bi 0.85417920680195 0.64374386485202 0.74183789584119 208.980 > 17 19 Bi 0.85417920680195 0.10625613514798 0.24183789584119 208.980 > 19 20 Bi 0.85417920680195 0.60625613514798 0.24183789584119 208.980 > 19 21 Bi 0.14582079319805 0.39374386485202 0.75816210415881 208.980 > 21 22 Bi 0.14582079319805 0.89374386485202 0.75816210415881 208.980 > 21 23 Bi 0.62953407124441 0.35625846014440 0.24190149643459 208.980 > 23 24 Bi 0.62953407124441 0.85625846014440 0.24190149643459 208.980 > 23 25 Bi 0.37046592875559 0.14374153985560 0.75809850356541 208.980 > 25 26 Bi 0.37046592875559 0.64374153985560 0.75809850356541 208.980 > 25 27 Bi 0.37046592875559 0.10625846014440 0.25809850356541 208.980 > 27 28 Bi 0.37046592875559 0.60625846014440 0.25809850356541 208.980 > 27 29 Bi 0.14582079319805 0.35625613514798 0.25816210415881 208.980 > 29 30 Bi 0.14582079319805 0.85625613514798 0.25816210415881 208.980 > 29 31 Bi 0.62953407124441 0.39374153985560 0.74190149643459 208.980 > 31 32 Bi 0.62953407124441 0.89374153985560 0.74190149643459 208.980 > 31 33 O 0.82430363718135 0.24508798962400 0.85379980466558 15.999 > 33 34 O 0.82430363718135 0.74508798962400 0.85379980466558 15.999 > 33 35 O 0.17569636281865 0.25491201037600 0.14620019533442 15.999 > 35 36 O 0.17569636281865 0.75491201037600 0.14620019533442 15.999 > 35 37 O 0.67171920117762 0.48316172917557 0.92182218962278 15.999 > 37 38 O 0.67171920117762 0.98316172917557 0.92182218962278 15.999 > 37 39 O 0.56921767205218 0.06162578964012 0.62212520504343 15.999 > 39 40 O 0.56921767205218 0.56162578964012 0.62212520504343 15.999 > 39 41 O 0.43078232794782 0.43837421035988 0.37787479495657 15.999 > 41 42 O 0.43078232794782 0.93837421035988 0.37787479495657 15.999 > 41 43 O 0.88326739590672 0.49509051307685 0.85378475220980 15.999 > 43 44 O 0.88326739590672 0.99509051307685 0.85378475220980 15.999 > 43 45 O 0.32498772317632 0.06163300760095 0.87788348380212 15.999 > 45 46 O 0.32498772317632 0.56163300760095 0.87788348380212 15.999 > 45 47 O 0.17569636281865 0.49508798962400 0.64620019533442 15.999 > 47 48 O 0.17569636281865 0.99508798962400 0.64620019533442 15.999 > 47 49 O 0.67501227682368 0.31163300760095 0.62211651619788 15.999 > 49 50 O 0.67501227682368 0.81163300760095 0.62211651619788 15.999 > 49 51 O 0.56921767205218 0.18837421035988 0.12212520504343 15.999 > 51 52 O 0.56921767205218 0.68837421035988 0.12212520504343 15.999 > 51 53 O 0.17197512633976 0.23329651783880 0.92176900298017 15.999 > 53 54 O 0.17197512633976 0.73329651783880 0.92176900298017 15.999 > 53 55 O 0.32498772317632 0.18836699239905 0.37788348380212 15.999 > 55 56 O 0.32498772317632 0.68836699239905 0.37788348380212 15.999 > 55 57 O 0.43078232794782 0.31162578964012 0.87787479495657 15.999 > 57 58 O 0.43078232794782 0.81162578964012 0.87787479495657 15.999 > 57 59 O 0.32828079882238 0.23316172917557 0.57817781037722 15.999 > 59 60 O 0.32828079882238 0.73316172917557 0.57817781037722 15.999 > 59 61 O 0.11673260409328 0.00490948692315 0.14621524779020 15.999 > 61 62 O 0.11673260409328 0.50490948692315 0.14621524779020 15.999 > 61 63 O 0.17197512633976 0.01670348216120 0.42176900298017 15.999 > 63 64 O 0.17197512633976 0.51670348216120 0.42176900298017 15.999 > 63 65 O 0.32828079882238 0.01683827082443 0.07817781037722 15.999 > 65 66 O 0.32828079882238 0.51683827082443 0.07817781037722 15.999 > 65 67 O 0.67501227682368 0.43836699239905 0.12211651619788 15.999 > 67 68 O 0.67501227682368 0.93836699239905 0.12211651619788 15.999 > 67 69 O 0.82430363718135 0.00491201037600 0.35379980466558 15.999 > 69 70 O 0.82430363718135 0.50491201037600 0.35379980466558 15.999 > 69 71 O 0.82802487366024 0.48329651783880 0.57823099701983 15.999 > 71 72 O 0.82802487366024 0.98329651783880 0.57823099701983 15.999 > 71 73 O 0.67171920117762 0.26683827082443 0.42182218962278 15.999 > 73 74 O 0.67171920117762 0.76683827082443 0.42182218962278 15.999 > 73 75 O 0.82802487366024 0.26670348216120 0.07823099701983 15.999 > 75 76 O 0.82802487366024 0.76670348216120 0.07823099701983 15.999 > 75 77 O 0.88326739590672 0.25490948692315 0.35378475220980 15.999 > 77 78 O 0.88326739590672 0.75490948692315 0.35378475220980 15.999 > 77 79 O 0.11673260409328 0.24509051307685 0.64621524779020 15.999 > 79 80 O 0.11673260409328 0.74509051307685 0.64621524779020 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9531324 0.0000000 0.0006937 0.0000000 5.5983745 0.0000000 0.0006921 0.0000000 5.2286076 -------------------------- Born effective charges -------------------------- 1 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 2 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 3 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 4 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 5 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 6 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 7 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 8 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 9 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 10 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 11 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 12 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 13 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 14 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 15 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 16 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 17 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 18 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 19 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 20 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 21 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 22 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 23 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 24 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 25 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 26 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 27 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 28 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 29 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 30 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 31 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 32 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 33 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 34 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 35 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 36 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 37 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 38 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 39 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 40 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 ---------------------------------------------------------------------------- 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 23, 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 37, 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 39, 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 45, 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Computing fc3[ 53, 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] [-0.0069 0.0000 0.0072] [ 0.0069 0.0000 -0.0072] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:26:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:26:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 5.619685290000000 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): 1 Cd 0.11125591744593 0.74997454125246 0.49999653791230 112.411 2 Cd 0.88874408255407 0.24997454125246 0.00000346208770 112.411 3 Cd 0.11125591744593 0.75002545874754 0.99999653791230 112.411 4 Cd 0.88874408255407 0.25002545874754 0.50000346208770 112.411 5 Ge 0.65138183061264 0.74992177982437 0.00001892724660 72.640 6 Ge 0.34861816938736 0.24992177982437 0.49998107275340 72.640 7 Ge 0.65138183061264 0.75007822017563 0.50001892724660 72.640 8 Ge 0.34861816938736 0.25007822017563 0.99998107275340 72.640 9 Bi 0.85417920680195 0.28748772970403 0.74183789584119 208.980 10 Bi 0.85417920680195 0.21251227029597 0.24183789584119 208.980 11 Bi 0.14582079319805 0.78748772970403 0.75816210415881 208.980 12 Bi 0.62953407124441 0.71251692028880 0.24190149643459 208.980 13 Bi 0.37046592875559 0.28748307971120 0.75809850356541 208.980 14 Bi 0.37046592875559 0.21251692028880 0.25809850356541 208.980 15 Bi 0.14582079319805 0.71251227029597 0.25816210415881 208.980 16 Bi 0.62953407124441 0.78748307971120 0.74190149643459 208.980 17 O 0.82430363718135 0.49017597924801 0.85379980466558 15.999 18 O 0.17569636281865 0.50982402075199 0.14620019533442 15.999 19 O 0.67171920117762 0.96632345835113 0.92182218962278 15.999 20 O 0.56921767205218 0.12325157928024 0.62212520504343 15.999 21 O 0.43078232794782 0.87674842071976 0.37787479495657 15.999 22 O 0.88326739590672 0.99018102615370 0.85378475220980 15.999 23 O 0.32498772317632 0.12326601520190 0.87788348380212 15.999 24 O 0.17569636281865 0.99017597924801 0.64620019533442 15.999 25 O 0.67501227682368 0.62326601520190 0.62211651619788 15.999 26 O 0.56921767205218 0.37674842071976 0.12212520504343 15.999 27 O 0.17197512633976 0.46659303567761 0.92176900298017 15.999 28 O 0.32498772317632 0.37673398479810 0.37788348380212 15.999 29 O 0.43078232794782 0.62325157928024 0.87787479495657 15.999 30 O 0.32828079882238 0.46632345835113 0.57817781037722 15.999 31 O 0.11673260409328 0.00981897384630 0.14621524779020 15.999 32 O 0.17197512633976 0.03340696432239 0.42176900298017 15.999 33 O 0.32828079882238 0.03367654164887 0.07817781037722 15.999 34 O 0.67501227682368 0.87673398479810 0.12211651619788 15.999 35 O 0.82430363718135 0.00982402075199 0.35379980466558 15.999 36 O 0.82802487366024 0.96659303567761 0.57823099701983 15.999 37 O 0.67171920117762 0.53367654164887 0.42182218962278 15.999 38 O 0.82802487366024 0.53340696432239 0.07823099701983 15.999 39 O 0.88326739590672 0.50981897384630 0.35378475220980 15.999 40 O 0.11673260409328 0.49018102615370 0.64621524779020 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.071663470212661 0.000000000000000 0.000000000000000 b 0.000000000000000 11.239370579999999 0.000000000000000 c -10.071052333468757 0.000000000000000 10.503037834193197 Atomic positions (fractional): 1 Cd 0.11125591744593 0.37498727062623 0.49999653791230 112.411 > 1 2 Cd 0.11125591744593 0.87498727062623 0.49999653791230 112.411 > 1 3 Cd 0.88874408255407 0.12498727062623 0.00000346208770 112.411 > 3 4 Cd 0.88874408255407 0.62498727062623 0.00000346208770 112.411 > 3 5 Cd 0.11125591744593 0.37501272937377 0.99999653791230 112.411 > 5 6 Cd 0.11125591744593 0.87501272937377 0.99999653791230 112.411 > 5 7 Cd 0.88874408255407 0.12501272937377 0.50000346208770 112.411 > 7 8 Cd 0.88874408255407 0.62501272937377 0.50000346208770 112.411 > 7 9 Ge 0.65138183061264 0.37496088991219 0.00001892724660 72.640 > 9 10 Ge 0.65138183061264 0.87496088991219 0.00001892724660 72.640 > 9 11 Ge 0.34861816938736 0.12496088991219 0.49998107275340 72.640 > 11 12 Ge 0.34861816938736 0.62496088991219 0.49998107275340 72.640 > 11 13 Ge 0.65138183061264 0.37503911008781 0.50001892724660 72.640 > 13 14 Ge 0.65138183061264 0.87503911008781 0.50001892724660 72.640 > 13 15 Ge 0.34861816938736 0.12503911008781 0.99998107275340 72.640 > 15 16 Ge 0.34861816938736 0.62503911008781 0.99998107275340 72.640 > 15 17 Bi 0.85417920680195 0.14374386485202 0.74183789584119 208.980 > 17 18 Bi 0.85417920680195 0.64374386485202 0.74183789584119 208.980 > 17 19 Bi 0.85417920680195 0.10625613514798 0.24183789584119 208.980 > 19 20 Bi 0.85417920680195 0.60625613514798 0.24183789584119 208.980 > 19 21 Bi 0.14582079319805 0.39374386485202 0.75816210415881 208.980 > 21 22 Bi 0.14582079319805 0.89374386485202 0.75816210415881 208.980 > 21 23 Bi 0.62953407124441 0.35625846014440 0.24190149643459 208.980 > 23 24 Bi 0.62953407124441 0.85625846014440 0.24190149643459 208.980 > 23 25 Bi 0.37046592875559 0.14374153985560 0.75809850356541 208.980 > 25 26 Bi 0.37046592875559 0.64374153985560 0.75809850356541 208.980 > 25 27 Bi 0.37046592875559 0.10625846014440 0.25809850356541 208.980 > 27 28 Bi 0.37046592875559 0.60625846014440 0.25809850356541 208.980 > 27 29 Bi 0.14582079319805 0.35625613514798 0.25816210415881 208.980 > 29 30 Bi 0.14582079319805 0.85625613514798 0.25816210415881 208.980 > 29 31 Bi 0.62953407124441 0.39374153985560 0.74190149643459 208.980 > 31 32 Bi 0.62953407124441 0.89374153985560 0.74190149643459 208.980 > 31 33 O 0.82430363718135 0.24508798962400 0.85379980466558 15.999 > 33 34 O 0.82430363718135 0.74508798962400 0.85379980466558 15.999 > 33 35 O 0.17569636281865 0.25491201037600 0.14620019533442 15.999 > 35 36 O 0.17569636281865 0.75491201037600 0.14620019533442 15.999 > 35 37 O 0.67171920117762 0.48316172917557 0.92182218962278 15.999 > 37 38 O 0.67171920117762 0.98316172917557 0.92182218962278 15.999 > 37 39 O 0.56921767205218 0.06162578964012 0.62212520504343 15.999 > 39 40 O 0.56921767205218 0.56162578964012 0.62212520504343 15.999 > 39 41 O 0.43078232794782 0.43837421035988 0.37787479495657 15.999 > 41 42 O 0.43078232794782 0.93837421035988 0.37787479495657 15.999 > 41 43 O 0.88326739590672 0.49509051307685 0.85378475220980 15.999 > 43 44 O 0.88326739590672 0.99509051307685 0.85378475220980 15.999 > 43 45 O 0.32498772317632 0.06163300760095 0.87788348380212 15.999 > 45 46 O 0.32498772317632 0.56163300760095 0.87788348380212 15.999 > 45 47 O 0.17569636281865 0.49508798962400 0.64620019533442 15.999 > 47 48 O 0.17569636281865 0.99508798962400 0.64620019533442 15.999 > 47 49 O 0.67501227682368 0.31163300760095 0.62211651619788 15.999 > 49 50 O 0.67501227682368 0.81163300760095 0.62211651619788 15.999 > 49 51 O 0.56921767205218 0.18837421035988 0.12212520504343 15.999 > 51 52 O 0.56921767205218 0.68837421035988 0.12212520504343 15.999 > 51 53 O 0.17197512633976 0.23329651783880 0.92176900298017 15.999 > 53 54 O 0.17197512633976 0.73329651783880 0.92176900298017 15.999 > 53 55 O 0.32498772317632 0.18836699239905 0.37788348380212 15.999 > 55 56 O 0.32498772317632 0.68836699239905 0.37788348380212 15.999 > 55 57 O 0.43078232794782 0.31162578964012 0.87787479495657 15.999 > 57 58 O 0.43078232794782 0.81162578964012 0.87787479495657 15.999 > 57 59 O 0.32828079882238 0.23316172917557 0.57817781037722 15.999 > 59 60 O 0.32828079882238 0.73316172917557 0.57817781037722 15.999 > 59 61 O 0.11673260409328 0.00490948692315 0.14621524779020 15.999 > 61 62 O 0.11673260409328 0.50490948692315 0.14621524779020 15.999 > 61 63 O 0.17197512633976 0.01670348216120 0.42176900298017 15.999 > 63 64 O 0.17197512633976 0.51670348216120 0.42176900298017 15.999 > 63 65 O 0.32828079882238 0.01683827082443 0.07817781037722 15.999 > 65 66 O 0.32828079882238 0.51683827082443 0.07817781037722 15.999 > 65 67 O 0.67501227682368 0.43836699239905 0.12211651619788 15.999 > 67 68 O 0.67501227682368 0.93836699239905 0.12211651619788 15.999 > 67 69 O 0.82430363718135 0.00491201037600 0.35379980466558 15.999 > 69 70 O 0.82430363718135 0.50491201037600 0.35379980466558 15.999 > 69 71 O 0.82802487366024 0.48329651783880 0.57823099701983 15.999 > 71 72 O 0.82802487366024 0.98329651783880 0.57823099701983 15.999 > 71 73 O 0.67171920117762 0.26683827082443 0.42182218962278 15.999 > 73 74 O 0.67171920117762 0.76683827082443 0.42182218962278 15.999 > 73 75 O 0.82802487366024 0.26670348216120 0.07823099701983 15.999 > 75 76 O 0.82802487366024 0.76670348216120 0.07823099701983 15.999 > 75 77 O 0.88326739590672 0.25490948692315 0.35378475220980 15.999 > 77 78 O 0.88326739590672 0.75490948692315 0.35378475220980 15.999 > 77 79 O 0.11673260409328 0.24509051307685 0.64621524779020 15.999 > 79 80 O 0.11673260409328 0.74509051307685 0.64621524779020 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9531324 0.0000000 0.0006937 0.0000000 5.5983745 0.0000000 0.0006921 0.0000000 5.2286076 -------------------------- Born effective charges -------------------------- 1 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 2 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 3 Cd 2.1426333 -0.0003023 0.0002146 -0.0000277 2.6507270 -0.0047495 -0.0001830 0.0846407 2.6751870 4 Cd 2.1426333 0.0003023 0.0002146 0.0000277 2.6507270 0.0047495 -0.0001830 -0.0846407 2.6751870 5 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 6 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 7 Ge 3.5505540 -0.0008134 -0.0001898 0.0008563 3.1591602 0.1992845 -0.0001788 0.1328030 4.3418715 8 Ge 3.5505540 0.0008134 -0.0001898 -0.0008563 3.1591602 -0.1992845 -0.0001788 -0.1328030 4.3418715 9 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 10 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 11 Bi 3.6886106 -0.2918777 0.2569547 0.0699460 4.9426340 -0.2715843 0.4877091 -0.2707465 3.7544629 12 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 13 Bi 3.6879321 0.2926429 -0.2610207 -0.0687781 4.9393965 -0.2697197 -0.4910633 -0.2695500 3.7549320 14 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 15 Bi 3.6886106 0.2918777 0.2569547 -0.0699460 4.9426340 0.2715843 0.4877091 0.2707465 3.7544629 16 Bi 3.6879321 -0.2926429 -0.2610207 0.0687781 4.9393965 0.2697197 -0.4910633 0.2695500 3.7549320 17 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 18 O -1.9894363 0.5301364 0.2533408 1.1681992 -3.0694612 0.2729312 0.1777115 0.3094514 -2.0745724 19 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 20 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 21 O -2.3038780 -0.0718507 -0.9656443 -0.4357110 -2.4957792 0.6508728 -1.0451582 0.6054418 -2.6776297 22 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 23 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 24 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 25 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 26 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 27 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 28 O -2.3029206 0.0714454 0.9660298 0.4348974 -2.4969708 0.6521001 1.0451032 0.6062664 -2.6776091 29 O -2.3038780 0.0718507 -0.9656443 0.4357110 -2.4957792 -0.6508728 -1.0451582 -0.6054418 -2.6776297 30 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 31 O -1.9892226 -0.5298013 -0.2529696 -1.1677556 -3.0687432 0.2728848 -0.1759680 0.3104811 -2.0743736 32 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 33 O -2.2425405 -0.1426866 0.6131919 -0.2667731 -2.2797198 0.3124936 0.4531677 0.1422923 -2.5113060 34 O -2.3029206 -0.0714454 0.9660298 -0.4348974 -2.4969708 -0.6521001 1.0451032 -0.6062664 -2.6776091 35 O -1.9894363 -0.5301364 0.2533408 -1.1681992 -3.0694612 -0.2729312 0.1777115 -0.3094514 -2.0745724 36 O -2.2417322 -0.1409034 -0.6099075 -0.2659527 -2.2812436 -0.3139070 -0.4511403 -0.1436326 -2.5109627 37 O -2.2425405 0.1426866 0.6131919 0.2667731 -2.2797198 -0.3124936 0.4531677 -0.1422923 -2.5113060 38 O -2.2417322 0.1409034 -0.6099075 0.2659527 -2.2812436 0.3139070 -0.4511403 0.1436326 -2.5109627 39 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 40 O -1.9892226 0.5298013 -0.2529696 1.1677556 -3.0687432 -0.2728848 -0.1759680 -0.3104811 -2.0743736 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 5 ] 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: 0.49, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 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 0.924 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.523 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.615 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 5.992 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 11.154 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 12.226 ( 0.000 0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.595 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 13.570 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 14.014 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.504 ( 0.000 0.000 0.000) 0.000 14.541 ( 0.000 0.000 0.000) 0.000 14.828 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 15.418 ( 0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 0.000) 0.000 16.456 ( 0.000 0.000 0.000) 0.000 16.481 ( 0.000 0.000 0.000) 0.000 16.664 ( 0.000 0.000 0.000) 0.000 17.022 ( 0.000 0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 19.496 ( 0.000 0.000 0.000) 0.000 19.684 ( 0.000 0.000 0.000) 0.000 19.761 ( 0.000 0.000 0.000) 0.000 19.967 ( 0.000 0.000 0.000) 0.000 20.109 ( 0.000 0.000 0.000) 0.000 20.438 ( 0.000 0.000 0.000) 0.000 20.640 ( 0.000 0.000 0.000) 0.000 20.756 ( 0.000 0.000 0.000) 0.000 20.871 ( 0.000 0.000 0.000) 0.000 21.053 ( 0.000 0.000 0.000) 0.000 22.038 ( 0.000 0.000 0.000) 0.000 22.062 ( 0.000 0.000 0.000) 0.000 22.111 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.050 ( 1.626 0.000 4.400) 4.691 0.323 ( 4.850 0.000 18.443) 19.070 0.631 ( 9.329 0.000 32.630) 33.937 1.018 ( -0.016 0.000 12.594) 12.594 1.233 ( -2.012 0.000 0.734) 2.142 1.304 ( -1.204 0.000 -5.549) 5.678 1.395 ( -4.632 0.000 1.276) 4.804 1.492 ( -1.071 0.000 -10.233) 10.289 1.618 ( 4.922 0.000 8.038) 9.425 1.691 ( -2.341 0.000 4.413) 4.995 1.847 ( -0.332 0.000 -1.903) 1.932 1.861 ( 3.893 0.000 -0.420) 3.915 1.909 ( 0.901 0.000 1.618) 1.852 2.072 ( 2.245 0.000 3.080) 3.811 2.115 ( -9.055 0.000 -8.736) 12.582 2.203 ( 5.600 0.000 -0.357) 5.612 2.293 ( -0.211 0.000 -1.534) 1.548 2.345 ( -4.241 0.000 0.710) 4.300 2.429 ( -1.278 0.000 -5.184) 5.339 2.719 ( 4.403 0.000 -2.352) 4.992 2.851 ( 1.954 0.000 -2.506) 3.178 2.886 ( -3.597 0.000 1.384) 3.854 3.005 ( 1.349 0.000 1.316) 1.884 3.059 ( 3.255 0.000 5.931) 6.766 3.156 ( -2.605 0.000 1.416) 2.965 3.357 ( -1.261 0.000 0.029) 1.261 3.384 ( -0.042 0.000 0.995) 0.996 3.390 ( -0.746 0.000 0.883) 1.156 3.450 ( 1.491 0.000 1.661) 2.232 3.482 ( -0.503 0.000 -1.024) 1.140 3.670 ( -0.919 0.000 2.865) 3.009 3.697 ( -0.216 0.000 2.127) 2.138 3.844 ( 1.492 0.000 3.760) 4.045 3.858 ( -0.241 0.000 0.711) 0.751 4.000 ( -3.556 0.000 -2.112) 4.136 4.171 ( 0.095 0.000 -2.539) 2.541 4.224 ( -4.333 0.000 -7.380) 8.558 4.361 ( -0.137 0.000 -0.065) 0.151 4.406 ( 2.849 0.000 -0.969) 3.009 4.472 ( 3.036 0.000 -7.599) 8.183 4.605 ( -0.070 0.000 -5.627) 5.628 4.698 ( 4.085 0.000 5.433) 6.798 4.748 ( 8.961 0.000 1.320) 9.057 4.860 ( -3.995 0.000 4.947) 6.359 4.942 ( 11.039 0.000 -0.320) 11.044 5.028 ( 7.229 0.000 2.990) 7.823 5.301 ( 0.895 0.000 -1.822) 2.030 5.344 ( -6.000 0.000 -2.644) 6.556 5.504 ( -0.330 0.000 -3.574) 3.589 5.758 ( -1.999 0.000 0.633) 2.097 5.821 ( -2.610 0.000 -3.977) 4.757 5.865 ( -2.801 0.000 -4.828) 5.582 5.876 ( -18.753 0.000 17.642) 25.747 6.146 ( 4.493 0.000 6.927) 8.256 6.346 ( -4.086 0.000 -1.840) 4.482 6.422 ( -3.441 0.000 2.076) 4.019 6.434 ( -2.176 0.000 1.686) 2.753 6.513 ( 2.840 0.000 -0.140) 2.843 6.521 ( 2.939 0.000 0.877) 3.067 6.998 ( -10.368 0.000 -2.314) 10.623 7.047 ( -5.671 0.000 1.250) 5.807 7.155 ( -8.039 0.000 5.520) 9.751 7.434 ( 4.446 0.000 -5.463) 7.044 7.518 ( 5.196 0.000 -8.924) 10.327 7.781 ( 7.334 0.000 4.147) 8.425 7.978 ( 11.763 0.000 -2.133) 11.955 8.195 ( 2.081 0.000 5.753) 6.118 8.479 ( 0.066 0.000 -4.054) 4.054 8.702 ( 0.232 0.000 5.085) 5.090 8.876 ( -3.392 0.000 -2.857) 4.435 8.878 ( 28.093 0.000 -33.653) 43.837 9.121 ( 5.307 0.000 5.852) 7.900 9.390 ( -2.529 0.000 -3.876) 4.628 9.813 ( -6.645 0.000 -3.314) 7.425 9.864 ( 3.692 0.000 1.740) 4.081 10.233 ( -1.825 0.000 -3.602) 4.038 10.386 ( -6.899 0.000 8.982) 11.326 10.437 ( 3.143 0.000 -0.901) 3.270 10.526 ( -5.629 0.000 1.783) 5.904 10.853 ( 8.354 0.000 -1.784) 8.542 11.181 ( -2.101 0.000 -2.760) 3.469 11.256 ( -0.198 0.000 -6.712) 6.715 11.624 ( -34.805 0.000 30.014) 45.959 11.671 ( -13.713 0.000 8.904) 16.350 12.309 ( 7.062 0.000 4.184) 8.208 12.332 ( 6.317 0.000 2.945) 6.969 12.355 ( -0.742 0.000 -1.774) 1.923 12.591 ( -1.083 0.000 -4.463) 4.593 13.500 ( -0.108 0.000 0.324) 0.342 13.544 ( -2.168 0.000 -1.010) 2.392 13.601 ( -0.002 0.000 -0.393) 0.393 13.628 ( 0.084 0.000 0.240) 0.254 14.229 ( 14.972 0.000 -15.137) 21.291 14.413 ( -2.561 0.000 -3.671) 4.476 14.614 ( 7.518 0.000 4.040) 8.535 14.870 ( -1.431 0.000 1.361) 1.974 14.882 ( 1.653 0.000 5.215) 5.470 15.341 ( -9.220 0.000 4.502) 10.261 15.508 ( -15.483 0.000 22.569) 27.369 16.108 ( -5.973 0.000 -1.304) 6.114 16.468 ( 0.741 0.000 1.277) 1.476 16.495 ( -0.133 0.000 2.031) 2.036 16.877 ( 10.618 0.000 -11.784) 15.862 16.999 ( 0.385 0.000 -3.843) 3.862 19.410 ( 2.567 0.000 2.740) 3.754 19.534 ( 3.478 0.000 1.910) 3.968 19.668 ( -2.656 0.000 -0.676) 2.741 19.986 ( 2.813 0.000 -1.457) 3.168 20.073 ( -6.166 0.000 2.150) 6.530 20.242 ( 26.733 0.000 -29.005) 39.446 20.380 ( -5.973 0.000 -0.924) 6.044 20.666 ( 3.239 0.000 0.175) 3.243 20.756 ( 3.301 0.000 -6.490) 7.281 20.864 ( 0.818 0.000 -0.738) 1.102 21.866 ( -21.137 0.000 20.573) 29.496 22.030 ( -0.657 0.000 -0.265) 0.708 22.097 ( -2.836 0.000 -1.425) 3.174 22.110 ( -1.186 0.000 1.161) 1.659 22.223 ( 1.601 0.000 7.666) 7.832 22.347 ( -10.514 0.000 12.617) 16.424 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 8.220 0.000 4.098) 9.185 0.632 ( 5.081 0.000 16.177) 16.956 1.032 ( -5.294 0.000 7.768) 9.400 1.172 ( -2.158 0.000 3.977) 4.525 1.192 ( -6.098 0.000 -1.583) 6.300 1.197 ( -2.077 0.000 8.094) 8.356 1.323 ( -2.537 0.000 -4.518) 5.182 1.380 ( 4.232 0.000 2.495) 4.913 1.647 ( -5.183 0.000 -2.256) 5.653 1.820 ( -1.700 0.000 -1.152) 2.053 1.864 ( 7.778 0.000 13.852) 15.886 1.890 ( -5.280 0.000 -6.493) 8.369 1.917 ( -0.868 0.000 -1.282) 1.548 2.010 ( 8.300 0.000 5.675) 10.054 2.152 ( 3.341 0.000 2.579) 4.221 2.254 ( -2.599 0.000 -1.719) 3.116 2.290 ( 6.479 0.000 -0.109) 6.480 2.307 ( -4.240 0.000 3.887) 5.752 2.333 ( 1.019 0.000 -6.848) 6.924 2.640 ( -2.300 0.000 -9.459) 9.735 2.827 ( 2.712 0.000 -5.825) 6.425 2.886 ( 4.754 0.000 -2.244) 5.257 3.043 ( -3.305 0.000 3.770) 5.013 3.109 ( -5.703 0.000 -0.121) 5.704 3.212 ( 3.289 0.000 7.052) 7.782 3.364 ( -0.818 0.000 2.900) 3.013 3.387 ( 0.041 0.000 0.376) 0.378 3.402 ( -0.022 0.000 2.027) 2.027 3.475 ( -0.708 0.000 0.897) 1.143 3.492 ( 1.807 0.000 1.280) 2.215 3.705 ( -0.717 0.000 4.232) 4.293 3.738 ( 0.079 0.000 3.740) 3.741 3.876 ( -1.369 0.000 0.632) 1.508 3.931 ( 1.572 0.000 4.898) 5.144 3.961 ( 2.973 0.000 1.509) 3.334 4.078 ( -2.963 0.000 -5.452) 6.205 4.126 ( 0.160 0.000 -3.680) 3.684 4.364 ( -0.073 0.000 0.819) 0.822 4.408 ( 3.734 0.000 -5.411) 6.574 4.420 ( 7.218 0.000 -9.789) 12.162 4.606 ( 1.426 0.000 3.845) 4.101 4.796 ( -1.687 0.000 6.001) 6.234 4.890 ( -1.738 0.000 4.351) 4.685 4.919 ( 8.963 0.000 3.292) 9.548 4.980 ( -4.294 0.000 -3.500) 5.539 5.157 ( 6.078 0.000 0.396) 6.091 5.220 ( -1.789 0.000 -4.952) 5.266 5.292 ( 1.542 0.000 -1.453) 2.119 5.437 ( -0.358 0.000 -4.392) 4.406 5.712 ( -5.850 0.000 -0.539) 5.874 5.735 ( -0.739 0.000 -5.764) 5.811 5.783 ( -0.198 0.000 -2.899) 2.906 5.848 ( -8.178 0.000 7.104) 10.833 6.196 ( -8.508 0.000 2.337) 8.823 6.238 ( -4.918 0.000 -0.985) 5.015 6.398 ( -1.664 0.000 -0.007) 1.664 6.484 ( 5.087 0.000 0.967) 5.178 6.547 ( -1.797 0.000 0.324) 1.826 6.555 ( 4.342 0.000 -0.193) 4.346 6.795 ( -10.177 0.000 -1.854) 10.345 7.015 ( -4.535 0.000 3.789) 5.910 7.120 ( -5.705 0.000 4.052) 6.998 7.419 ( 5.484 0.000 -7.232) 9.076 7.467 ( 5.773 0.000 -9.601) 11.203 7.974 ( 9.677 0.000 6.041) 11.408 8.119 ( 8.113 0.000 1.811) 8.312 8.350 ( 9.125 0.000 3.914) 9.928 8.437 ( 0.255 0.000 -2.050) 2.066 8.739 ( -3.087 0.000 -3.203) 4.449 8.752 ( -6.319 0.000 -4.101) 7.533 8.816 ( 7.513 0.000 -6.696) 10.063 9.257 ( -5.244 0.000 -7.719) 9.332 9.305 ( 5.087 0.000 8.427) 9.844 9.636 ( -7.844 0.000 -4.623) 9.105 9.974 ( 5.452 0.000 4.135) 6.842 10.183 ( 0.119 0.000 -1.268) 1.273 10.409 ( -1.143 0.000 2.950) 3.164 10.508 ( 4.629 0.000 3.358) 5.718 10.522 ( -2.535 0.000 5.025) 5.629 10.911 ( 7.333 0.000 -6.119) 9.550 11.080 ( -4.705 0.000 -5.116) 6.950 11.161 ( -2.057 0.000 -3.864) 4.377 11.511 ( -16.630 0.000 7.897) 18.410 11.596 ( -13.490 0.000 9.238) 16.350 12.306 ( -1.091 0.000 -2.997) 3.190 12.437 ( 4.000 0.000 2.726) 4.841 12.500 ( -2.717 0.000 -4.075) 4.898 12.506 ( 7.862 0.000 5.242) 9.449 13.494 ( -2.214 0.000 -1.300) 2.568 13.508 ( -0.169 0.000 1.121) 1.134 13.592 ( -0.050 0.000 -0.660) 0.661 13.626 ( 0.016 0.000 -0.758) 0.758 14.235 ( 5.679 0.000 -5.514) 7.915 14.335 ( -0.127 0.000 -4.502) 4.504 14.827 ( 8.421 0.000 9.420) 12.635 14.867 ( -1.917 0.000 1.720) 2.576 14.994 ( 3.588 0.000 5.725) 6.756 15.284 ( -1.756 0.000 -1.394) 2.242 15.588 ( -5.698 0.000 10.904) 12.303 15.947 ( -11.080 0.000 -4.522) 11.968 16.516 ( 1.626 0.000 3.297) 3.676 16.525 ( -0.374 0.000 2.578) 2.605 16.866 ( 5.040 0.000 -5.974) 7.816 16.928 ( -0.153 0.000 -6.703) 6.705 19.519 ( 4.482 0.000 5.045) 6.748 19.627 ( -1.131 0.000 -0.729) 1.346 19.649 ( 7.024 0.000 4.271) 8.221 19.935 ( -2.128 0.000 -5.814) 6.191 20.063 ( -2.975 0.000 5.454) 6.213 20.224 ( 9.730 0.000 -11.465) 15.037 20.274 ( -6.205 0.000 -1.244) 6.328 20.634 ( -2.426 0.000 -11.943) 12.187 20.725 ( 3.958 0.000 0.397) 3.977 20.870 ( 1.825 0.000 -2.155) 2.824 21.837 ( -8.196 0.000 5.998) 10.156 22.009 ( -7.012 0.000 0.819) 7.060 22.017 ( -0.486 0.000 -0.250) 0.546 22.135 ( 1.166 0.000 1.135) 1.627 22.373 ( -4.094 0.000 6.172) 7.406 22.384 ( 3.436 0.000 9.335) 9.947 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 7.848 0.000 4.429) 9.011 0.847 ( -8.366 0.000 -5.911) 10.243 0.884 ( 4.396 0.000 9.726) 10.673 1.054 ( -5.614 0.000 -6.773) 8.797 1.112 ( -2.826 0.000 -0.270) 2.839 1.202 ( -0.982 0.000 0.788) 1.259 1.392 ( -0.130 0.000 2.255) 2.258 1.583 ( 5.142 0.000 8.763) 10.160 1.587 ( -0.197 0.000 2.800) 2.807 1.741 ( -4.792 0.000 0.345) 4.804 1.787 ( -0.844 0.000 -5.759) 5.820 1.851 ( -2.270 0.000 -3.846) 4.467 2.151 ( 3.105 0.000 1.920) 3.651 2.161 ( 4.562 0.000 14.000) 14.724 2.219 ( 2.364 0.000 0.737) 2.476 2.224 ( 0.968 0.000 0.278) 1.007 2.268 ( -0.886 0.000 -2.981) 3.109 2.337 ( -1.689 0.000 5.447) 5.703 2.339 ( 2.108 0.000 -4.683) 5.136 2.482 ( -0.532 0.000 -8.752) 8.768 2.800 ( 2.869 0.000 -2.464) 3.782 2.919 ( 3.630 0.000 -2.136) 4.212 2.996 ( -5.598 0.000 -2.492) 6.128 3.021 ( -3.721 0.000 1.808) 4.137 3.294 ( 0.487 0.000 1.583) 1.656 3.385 ( -0.331 0.000 1.046) 1.097 3.407 ( -0.087 0.000 1.313) 1.316 3.437 ( 0.410 0.000 1.506) 1.561 3.483 ( 0.109 0.000 0.791) 0.798 3.537 ( 1.133 0.000 1.356) 1.766 3.752 ( 0.106 0.000 2.293) 2.296 3.786 ( 0.225 0.000 2.295) 2.306 3.853 ( -0.369 0.000 -0.306) 0.479 3.955 ( -1.226 0.000 -1.077) 1.632 4.028 ( -0.822 0.000 -0.037) 0.823 4.044 ( 1.023 0.000 1.168) 1.552 4.184 ( 8.194 0.000 6.046) 10.183 4.373 ( 0.990 0.000 -5.741) 5.825 4.375 ( -0.303 0.000 0.656) 0.723 4.413 ( 4.883 0.000 -4.350) 6.539 4.694 ( 1.760 0.000 3.493) 3.912 4.788 ( -8.317 0.000 -4.718) 9.562 4.830 ( -2.097 0.000 3.181) 3.810 4.907 ( -1.212 0.000 1.691) 2.080 5.030 ( 2.326 0.000 -2.007) 3.072 5.193 ( 2.070 0.000 -2.523) 3.263 5.197 ( 2.707 0.000 1.776) 3.238 5.301 ( 0.949 0.000 -0.522) 1.083 5.394 ( 0.060 0.000 -1.583) 1.584 5.583 ( -6.371 0.000 -2.756) 6.941 5.663 ( -0.041 0.000 -3.358) 3.358 5.756 ( -0.279 0.000 -0.888) 0.931 5.838 ( -2.020 0.000 1.713) 2.649 6.102 ( -3.985 0.000 1.363) 4.212 6.217 ( 0.312 0.000 1.252) 1.291 6.317 ( -4.513 0.000 -2.811) 5.317 6.487 ( -3.458 0.000 -1.243) 3.674 6.569 ( 3.510 0.000 0.808) 3.602 6.634 ( 3.204 0.000 2.018) 3.787 6.692 ( -2.413 0.000 -1.404) 2.792 7.016 ( -2.350 0.000 3.025) 3.830 7.099 ( -2.741 0.000 1.636) 3.192 7.396 ( 2.570 0.000 -4.074) 4.817 7.430 ( 2.577 0.000 -4.170) 4.902 8.202 ( 7.944 0.000 6.812) 10.465 8.265 ( 4.462 0.000 6.191) 7.631 8.420 ( 0.990 0.000 -2.731) 2.905 8.443 ( 1.538 0.000 -6.506) 6.686 8.583 ( -5.740 0.000 -5.336) 7.837 8.688 ( 1.447 0.000 3.936) 4.194 8.859 ( 1.334 0.000 0.787) 1.549 9.055 ( -6.034 0.000 -7.116) 9.329 9.447 ( 2.076 0.000 3.647) 4.197 9.520 ( -2.537 0.000 -1.347) 2.872 10.093 ( 2.660 0.000 2.934) 3.960 10.187 ( 0.586 0.000 0.112) 0.597 10.433 ( 0.444 0.000 0.849) 0.958 10.558 ( -0.903 0.000 2.836) 2.976 10.652 ( 6.348 0.000 4.907) 8.024 10.910 ( 3.708 0.000 -4.516) 5.843 10.918 ( -6.422 0.000 -5.561) 8.495 11.106 ( -2.088 0.000 0.133) 2.092 11.401 ( -5.821 0.000 0.863) 5.885 11.551 ( -5.278 0.000 3.798) 6.503 12.260 ( -0.511 0.000 -1.547) 1.629 12.426 ( -1.424 0.000 -1.635) 2.168 12.500 ( 1.375 0.000 0.894) 1.640 12.641 ( 2.934 0.000 2.412) 3.798 13.457 ( -0.912 0.000 -0.572) 1.077 13.523 ( -0.102 0.000 1.042) 1.047 13.585 ( -0.037 0.000 -0.280) 0.283 13.611 ( -0.005 0.000 -1.056) 1.056 14.239 ( 1.597 0.000 -1.539) 2.218 14.293 ( 0.288 0.000 -1.852) 1.874 14.863 ( -0.897 0.000 0.768) 1.181 15.002 ( 1.859 0.000 3.172) 3.676 15.192 ( 8.883 0.000 8.681) 12.421 15.255 ( -0.136 0.000 -0.936) 0.945 15.636 ( -1.498 0.000 3.455) 3.765 15.695 ( -10.655 0.000 -6.894) 12.691 16.547 ( -0.249 0.000 1.155) 1.182 16.594 ( 1.403 0.000 3.709) 3.965 16.829 ( -0.768 0.000 -5.344) 5.399 16.860 ( 1.731 0.000 -2.047) 2.680 19.620 ( 0.190 0.000 0.247) 0.312 19.632 ( 2.470 0.000 2.641) 3.616 19.835 ( -2.129 0.000 -2.731) 3.463 19.841 ( 7.111 0.000 6.132) 9.390 20.092 ( -0.859 0.000 2.185) 2.348 20.199 ( -1.880 0.000 0.562) 1.963 20.210 ( 2.864 0.000 -3.638) 4.630 20.390 ( -6.465 0.000 -11.445) 13.145 20.773 ( 1.753 0.000 0.235) 1.769 20.859 ( 0.416 0.000 -1.220) 1.289 21.807 ( -2.534 0.000 1.296) 2.846 21.946 ( -3.015 0.000 0.766) 3.111 22.011 ( -0.122 0.000 -0.121) 0.172 22.161 ( 0.591 0.000 0.506) 0.778 22.392 ( -1.183 0.000 2.034) 2.353 22.528 ( 1.810 0.000 4.563) 4.909 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 17.730 0.000) 17.730 0.405 ( 0.000 20.534 0.000) 20.534 0.801 ( 0.000 37.495 0.000) 37.495 1.098 ( 0.000 4.442 0.000) 4.442 1.259 ( 0.000 2.403 0.000) 2.403 1.501 ( 0.000 6.386 0.000) 6.386 1.502 ( 0.000 12.919 0.000) 12.919 1.515 ( 0.000 -2.264 0.000) 2.264 1.659 ( 0.000 5.150 0.000) 5.150 1.685 ( 0.000 5.326 0.000) 5.326 1.854 ( 0.000 -1.503 0.000) 1.503 1.865 ( 0.000 0.784 0.000) 0.784 1.944 ( 0.000 5.928 0.000) 5.928 1.980 ( 0.000 -9.726 0.000) 9.726 2.036 ( 0.000 1.216 0.000) 1.216 2.323 ( 0.000 -0.186 0.000) 0.186 2.455 ( 0.000 -0.928 0.000) 0.928 2.488 ( 0.000 4.752 0.000) 4.752 2.602 ( 0.000 0.903 0.000) 0.903 2.636 ( 0.000 -2.622 0.000) 2.622 2.847 ( 0.000 -1.117 0.000) 1.117 2.908 ( 0.000 2.854 0.000) 2.854 3.057 ( 0.000 -7.004 0.000) 7.004 3.079 ( 0.000 6.781 0.000) 6.781 3.270 ( 0.000 -0.098 0.000) 0.098 3.292 ( 0.000 -7.595 0.000) 7.595 3.310 ( 0.000 -6.095 0.000) 6.095 3.370 ( 0.000 -3.309 0.000) 3.309 3.483 ( 0.000 -3.040 0.000) 3.040 3.531 ( 0.000 -12.186 0.000) 12.186 3.719 ( 0.000 3.316 0.000) 3.316 3.746 ( 0.000 9.304 0.000) 9.304 3.844 ( 0.000 2.874 0.000) 2.874 3.953 ( 0.000 5.885 0.000) 5.885 4.057 ( 0.000 2.748 0.000) 2.748 4.157 ( 0.000 -3.116 0.000) 3.116 4.274 ( 0.000 -0.347 0.000) 0.347 4.422 ( 0.000 5.307 0.000) 5.307 4.462 ( 0.000 -7.691 0.000) 7.691 4.522 ( 0.000 2.936 0.000) 2.936 4.593 ( 0.000 11.257 0.000) 11.257 4.613 ( 0.000 -2.672 0.000) 2.672 4.628 ( 0.000 2.222 0.000) 2.222 4.806 ( 0.000 4.810 0.000) 4.810 4.935 ( 0.000 5.445 0.000) 5.445 5.058 ( 0.000 6.929 0.000) 6.929 5.221 ( 0.000 6.868 0.000) 6.868 5.311 ( 0.000 1.217 0.000) 1.217 5.476 ( 0.000 -4.815 0.000) 4.815 5.580 ( 0.000 -6.042 0.000) 6.042 5.748 ( 0.000 -13.642 0.000) 13.642 5.772 ( 0.000 -0.431 0.000) 0.431 6.055 ( 0.000 3.871 0.000) 3.871 6.082 ( 0.000 14.393 0.000) 14.393 6.199 ( 0.000 5.034 0.000) 5.034 6.404 ( 0.000 -1.982 0.000) 1.982 6.412 ( 0.000 3.974 0.000) 3.974 6.495 ( 0.000 0.465 0.000) 0.465 6.557 ( 0.000 7.306 0.000) 7.306 7.071 ( 0.000 -2.598 0.000) 2.598 7.179 ( 0.000 1.902 0.000) 1.902 7.303 ( 0.000 0.209 0.000) 0.209 7.308 ( 0.000 -0.054 0.000) 0.054 7.511 ( 0.000 5.771 0.000) 5.771 7.520 ( 0.000 -3.139 0.000) 3.139 7.913 ( 0.000 2.226 0.000) 2.226 8.111 ( 0.000 -3.061 0.000) 3.061 8.419 ( 0.000 -1.776 0.000) 1.776 8.465 ( 0.000 -4.867 0.000) 4.867 8.695 ( 0.000 3.352 0.000) 3.352 8.824 ( 0.000 -6.247 0.000) 6.247 9.104 ( 0.000 3.718 0.000) 3.718 9.138 ( 0.000 -22.371 0.000) 22.371 9.784 ( 0.000 -8.023 0.000) 8.023 9.815 ( 0.000 -2.290 0.000) 2.290 10.067 ( 0.000 -6.315 0.000) 6.315 10.298 ( 0.000 4.069 0.000) 4.069 10.460 ( 0.000 2.728 0.000) 2.728 10.601 ( 0.000 0.493 0.000) 0.493 11.073 ( 0.000 -10.234 0.000) 10.234 11.236 ( 0.000 10.922 0.000) 10.922 11.703 ( 0.000 31.620 0.000) 31.620 11.763 ( 0.000 11.750 0.000) 11.750 12.219 ( 0.000 -0.656 0.000) 0.656 12.221 ( 0.000 -2.674 0.000) 2.674 12.344 ( 0.000 -2.474 0.000) 2.474 12.590 ( 0.000 -0.327 0.000) 0.327 13.007 ( 0.000 1.945 0.000) 1.945 13.510 ( 0.000 1.636 0.000) 1.636 13.591 ( 0.000 2.786 0.000) 2.786 13.659 ( 0.000 6.057 0.000) 6.057 14.015 ( 0.000 0.116 0.000) 0.116 14.186 ( 0.000 0.703 0.000) 0.703 14.497 ( 0.000 0.524 0.000) 0.524 14.552 ( 0.000 1.296 0.000) 1.296 14.739 ( 0.000 -7.748 0.000) 7.748 14.866 ( 0.000 -1.145 0.000) 1.145 15.415 ( 0.000 -0.212 0.000) 0.212 16.074 ( 0.000 -7.931 0.000) 7.931 16.170 ( 0.000 0.896 0.000) 0.896 16.376 ( 0.000 -7.028 0.000) 7.028 16.419 ( 0.000 -6.246 0.000) 6.246 16.657 ( 0.000 -1.386 0.000) 1.386 16.928 ( 0.000 -8.977 0.000) 8.977 19.427 ( 0.000 5.063 0.000) 5.063 19.768 ( 0.000 7.969 0.000) 7.969 19.820 ( 0.000 5.653 0.000) 5.653 19.956 ( 0.000 -1.084 0.000) 1.084 20.139 ( 0.000 2.960 0.000) 2.960 20.442 ( 0.000 0.173 0.000) 0.173 20.695 ( 0.000 5.027 0.000) 5.027 20.727 ( 0.000 -1.199 0.000) 1.199 20.730 ( 0.000 -2.636 0.000) 2.636 20.874 ( 0.000 0.359 0.000) 0.359 21.042 ( 0.000 -1.069 0.000) 1.069 21.982 ( 0.000 -6.465 0.000) 6.465 22.059 ( 0.000 -0.326 0.000) 0.326 22.114 ( 0.000 0.277 0.000) 0.277 22.120 ( 0.000 -1.099 0.000) 1.099 22.131 ( 0.000 -1.997 0.000) 1.997 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -1.709 17.186 2.813) 17.499 0.502 ( 1.695 14.392 13.324) 19.686 0.980 ( 4.102 26.393 15.413) 30.838 1.113 ( -2.368 6.053 6.400) 9.122 1.274 ( -1.184 3.085 2.267) 4.007 1.421 ( -6.461 4.888 -0.351) 8.109 1.477 ( 0.856 10.618 -3.401) 11.182 1.512 ( -0.867 2.738 -6.864) 7.440 1.675 ( 2.810 4.058 4.310) 6.553 1.726 ( -0.079 3.430 3.407) 4.835 1.868 ( 0.873 -1.241 -0.636) 1.645 1.873 ( 2.106 2.574 0.051) 3.326 1.918 ( 0.161 1.813 -0.479) 1.882 2.010 ( 4.457 -3.317 -1.272) 5.699 2.092 ( 2.272 1.994 3.724) 4.796 2.275 ( -4.918 3.084 -4.233) 7.184 2.358 ( -3.642 1.868 -5.098) 6.538 2.431 ( -3.364 0.639 -3.685) 5.030 2.483 ( -3.366 7.746 -4.640) 9.636 2.681 ( 3.911 -2.750 -0.166) 4.784 2.811 ( -0.312 -2.953 -4.267) 5.198 2.937 ( -2.845 3.519 1.408) 4.739 2.988 ( -3.314 -2.973 -1.109) 4.588 3.111 ( 2.323 -0.172 -0.131) 2.333 3.172 ( -0.109 3.978 1.660) 4.312 3.277 ( -1.606 -6.591 -1.252) 6.898 3.333 ( -0.195 -4.762 2.306) 5.294 3.375 ( -3.628 -3.143 -0.124) 4.802 3.425 ( 0.865 -2.926 3.523) 4.661 3.488 ( 0.381 -2.610 -0.722) 2.735 3.658 ( -0.850 3.894 -4.494) 6.007 3.798 ( 0.539 3.547 0.642) 3.644 3.882 ( 0.939 3.075 4.890) 5.853 3.901 ( -0.881 6.481 0.682) 6.576 4.026 ( -1.293 3.225 -3.411) 4.869 4.151 ( -0.104 -0.951 -0.062) 0.959 4.254 ( -4.254 2.597 -3.735) 6.228 4.343 ( 1.531 2.278 -1.546) 3.150 4.480 ( -0.789 3.434 -5.574) 6.594 4.525 ( 4.946 -4.661 -7.111) 9.836 4.612 ( 2.316 9.234 -1.249) 9.602 4.684 ( 5.113 -3.707 3.949) 7.449 4.736 ( 3.426 3.535 7.292) 8.798 4.904 ( 6.380 1.788 5.729) 8.759 4.933 ( -2.600 4.605 4.094) 6.688 5.139 ( 6.528 5.876 1.494) 8.910 5.281 ( 0.517 -0.387 -3.274) 3.337 5.359 ( -1.491 1.995 0.170) 2.497 5.463 ( -0.080 -2.611 -1.366) 2.948 5.656 ( -5.158 -10.874 5.883) 13.396 5.759 ( -1.316 -0.486 1.308) 1.918 5.806 ( -2.203 -9.123 9.555) 13.394 5.985 ( 1.956 10.029 -7.169) 12.482 6.206 ( 3.768 -5.220 4.112) 7.639 6.236 ( 2.356 6.632 3.737) 7.969 6.376 ( -1.505 -1.655 -0.380) 2.269 6.435 ( -1.447 1.578 3.500) 4.102 6.530 ( 3.847 2.320 -0.407) 4.511 6.569 ( 0.518 6.191 1.301) 6.348 6.998 ( -11.653 0.398 -2.707) 11.970 7.093 ( -5.440 -1.982 2.252) 6.212 7.155 ( -10.625 3.722 1.481) 11.355 7.368 ( 6.278 -2.825 -5.923) 9.081 7.567 ( 8.538 4.325 -5.493) 11.035 7.651 ( 9.091 -6.968 5.392) 12.660 7.990 ( 11.177 0.651 -2.894) 11.564 8.168 ( 2.719 -2.586 5.551) 6.700 8.431 ( -0.122 -4.226 -2.494) 4.908 8.534 ( 8.800 -11.570 0.913) 14.565 8.724 ( 0.788 1.666 2.188) 2.861 8.822 ( -1.158 -4.406 -0.293) 4.565 9.113 ( -1.903 -20.202 -1.320) 20.334 9.139 ( 1.637 0.534 4.162) 4.504 9.730 ( -5.924 -7.556 -3.276) 10.145 9.777 ( 0.073 -3.505 -1.564) 3.839 10.045 ( -3.029 -9.723 0.434) 10.193 10.334 ( -2.268 3.868 5.447) 7.055 10.460 ( 2.484 2.131 -2.500) 4.119 10.610 ( 2.894 -0.003 0.938) 3.042 11.035 ( -1.965 -9.533 -3.470) 10.334 11.240 ( 1.439 13.063 -0.905) 13.174 11.518 ( -3.251 27.036 -12.232) 29.852 11.852 ( -7.032 19.527 10.334) 23.185 12.260 ( 0.682 1.467 1.869) 2.472 12.285 ( 3.693 -2.941 2.205) 5.210 12.333 ( 0.463 -1.141 -1.066) 1.629 12.493 ( -9.709 10.859 -6.293) 15.868 12.702 ( -11.986 16.990 -10.928) 23.489 13.512 ( -0.602 1.464 0.865) 1.804 13.585 ( -1.934 3.952 0.936) 4.498 13.650 ( -0.226 5.970 -1.014) 6.060 13.835 ( -10.334 12.749 -0.536) 16.420 14.234 ( 10.205 0.463 -8.820) 13.496 14.431 ( -0.677 1.273 -7.858) 7.989 14.588 ( 3.354 -1.650 5.502) 6.652 14.796 ( 0.684 -6.007 5.165) 7.951 14.879 ( 0.437 -0.995 1.859) 2.153 15.399 ( 2.105 1.274 -7.989) 8.360 15.658 ( -30.759 12.574 10.274) 34.782 16.028 ( -5.457 -7.550 -1.240) 9.398 16.423 ( 1.040 -5.320 0.456) 5.440 16.448 ( 1.195 -4.640 2.083) 5.225 16.762 ( 9.018 -8.264 -5.913) 13.586 16.906 ( 0.433 -8.830 -3.552) 9.528 19.465 ( 2.788 4.916 2.616) 6.227 19.675 ( -1.858 9.767 -3.057) 10.401 19.752 ( -2.509 7.569 -1.574) 8.128 20.014 ( 0.180 0.980 4.487) 4.596 20.118 ( -6.280 4.262 3.077) 8.190 20.331 ( 16.638 7.129 -30.084) 35.110 20.400 ( -4.435 1.479 -1.253) 4.841 20.698 ( 1.777 2.838 -0.351) 3.367 20.743 ( 3.152 -0.850 -6.057) 6.881 20.869 ( 0.915 0.549 -1.163) 1.579 21.653 ( -9.992 -18.851 34.567) 40.621 21.971 ( -2.523 -6.575 1.112) 7.129 22.075 ( -3.065 -2.347 0.215) 3.867 22.098 ( 1.385 -1.264 -0.983) 2.117 22.147 ( 4.008 -3.954 4.138) 6.988 22.206 ( 3.007 -2.440 5.479) 6.709 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 1.060 15.114 4.243) 15.734 0.755 ( 3.019 9.137 16.651) 19.232 1.106 ( -4.160 5.661 -1.731) 7.236 1.179 ( -2.232 5.594 4.854) 7.735 1.278 ( -9.660 6.937 4.370) 12.670 1.365 ( -2.088 8.139 -7.382) 11.185 1.374 ( 0.783 7.324 8.295) 11.093 1.462 ( 2.278 8.528 -2.878) 9.285 1.713 ( -3.170 4.616 -1.599) 5.824 1.797 ( 1.927 -2.433 0.849) 3.218 1.884 ( 0.463 3.655 2.624) 4.523 1.929 ( -0.238 2.157 3.754) 4.336 1.942 ( 5.740 1.186 0.800) 5.916 2.042 ( 1.292 5.222 2.263) 5.836 2.166 ( 0.485 1.589 2.180) 2.740 2.219 ( 5.155 -1.500 -1.049) 5.470 2.299 ( -2.452 -0.868 -0.028) 2.602 2.341 ( -0.296 3.193 -1.572) 3.571 2.413 ( 0.062 6.405 -3.075) 7.105 2.633 ( -1.603 -0.478 -9.471) 9.618 2.786 ( 2.992 -3.820 -2.199) 5.327 2.870 ( 2.220 -0.813 -4.913) 5.453 3.012 ( -3.819 -2.034 5.771) 7.213 3.097 ( -3.818 -1.311 -0.559) 4.075 3.227 ( 0.139 -1.251 1.404) 1.886 3.266 ( -0.213 -5.092 2.847) 5.838 3.372 ( 1.158 -1.250 3.080) 3.520 3.384 ( 0.600 -3.714 2.723) 4.644 3.469 ( 0.592 -2.547 0.563) 2.675 3.483 ( 0.339 -1.088 0.401) 1.208 3.613 ( -1.155 -1.651 0.563) 2.092 3.775 ( -0.256 -2.602 -3.502) 4.370 3.926 ( 0.307 5.055 1.839) 5.388 3.979 ( 1.573 2.057 1.625) 3.057 3.993 ( 1.165 6.512 4.394) 7.942 4.118 ( -2.509 4.790 -2.597) 5.999 4.184 ( 1.739 4.224 0.579) 4.605 4.320 ( 2.624 -2.345 -8.463) 9.166 4.442 ( -0.043 6.067 0.857) 6.127 4.511 ( 4.398 0.070 -3.250) 5.469 4.628 ( -0.134 5.765 1.701) 6.012 4.788 ( 0.317 -4.345 4.137) 6.007 4.849 ( 0.050 2.902 4.141) 5.057 4.969 ( 0.505 3.069 2.770) 4.165 5.048 ( 3.853 4.913 3.007) 6.930 5.202 ( 0.402 2.737 -5.737) 6.369 5.253 ( 2.360 4.984 0.054) 5.515 5.306 ( 2.243 0.683 -2.189) 3.208 5.428 ( -0.343 -0.012 -3.281) 3.299 5.606 ( -3.467 -8.223 -2.045) 9.155 5.735 ( -1.892 1.681 -0.764) 2.644 5.852 ( -4.188 1.487 2.847) 5.278 5.931 ( -0.213 7.890 -1.352) 8.008 6.202 ( -3.463 -1.014 0.180) 3.613 6.253 ( -6.960 0.852 -0.980) 7.080 6.381 ( -1.178 -1.782 1.524) 2.624 6.492 ( 4.309 2.325 3.191) 5.844 6.559 ( -0.369 2.998 0.079) 3.021 6.613 ( 4.045 4.605 0.114) 6.131 6.781 ( -9.249 -1.577 -3.094) 9.879 7.037 ( -7.797 2.699 2.105) 8.515 7.089 ( -4.670 -2.016 4.389) 6.718 7.386 ( 6.191 -0.053 -4.340) 7.561 7.564 ( 6.097 5.930 -9.642) 12.858 7.859 ( 8.919 -8.881 6.918) 14.362 8.116 ( 9.899 -2.176 -0.670) 10.158 8.300 ( 5.152 -4.616 2.424) 7.330 8.416 ( 2.192 -2.039 -0.081) 2.995 8.601 ( 2.316 -11.965 -3.335) 12.636 8.696 ( -5.673 -3.055 -3.449) 7.308 8.791 ( -1.497 -0.931 0.757) 1.918 9.038 ( -4.236 -17.178 -3.418) 18.020 9.272 ( 3.737 -2.989 7.439) 8.845 9.565 ( -7.180 -6.517 -4.593) 10.729 9.819 ( 3.522 -9.005 3.997) 10.463 10.028 ( -0.988 -10.421 1.492) 10.574 10.370 ( -3.161 2.453 6.593) 7.713 10.468 ( 4.760 0.399 -3.624) 5.996 10.715 ( 5.222 -2.631 3.785) 6.966 10.931 ( -3.239 -6.416 -5.873) 9.281 11.251 ( 1.650 18.588 -0.796) 18.678 11.336 ( -2.807 27.487 -7.501) 28.630 11.849 ( -9.010 21.580 7.180) 24.463 12.054 ( -14.138 31.754 -6.234) 35.314 12.276 ( -0.753 -2.352 -2.716) 3.671 12.386 ( 2.733 -3.446 1.740) 4.730 12.475 ( 3.361 -0.320 1.609) 3.740 12.561 ( 0.184 4.092 -1.701) 4.435 13.520 ( -0.558 1.534 1.662) 2.329 13.565 ( -2.502 6.604 1.296) 7.180 13.632 ( 0.169 4.576 -1.389) 4.785 13.747 ( -3.207 11.144 -0.834) 11.626 14.238 ( 4.973 0.373 -5.815) 7.661 14.328 ( -0.090 -0.709 -5.674) 5.719 14.773 ( 4.934 -4.394 9.744) 11.772 14.858 ( 0.313 -3.179 5.331) 6.214 14.938 ( 1.772 -2.756 3.289) 4.642 15.285 ( -0.927 -0.015 -5.613) 5.689 15.597 ( -6.793 0.980 9.650) 11.842 15.883 ( -9.806 -5.931 -3.944) 12.120 16.455 ( 0.614 -5.417 2.591) 6.036 16.497 ( 0.860 -3.811 2.636) 4.713 16.771 ( 3.903 -8.478 -5.077) 10.624 16.847 ( 0.667 -7.713 -5.821) 9.685 19.571 ( 4.217 4.736 4.632) 7.853 19.690 ( 2.960 5.270 -1.030) 6.132 19.716 ( 1.148 7.209 2.281) 7.648 20.030 ( -1.998 7.801 -2.766) 8.515 20.086 ( -4.723 1.812 7.076) 8.698 20.237 ( 9.323 1.915 -13.710) 16.690 20.309 ( -5.611 2.922 -0.750) 6.370 20.626 ( -2.290 -0.696 -11.582) 11.826 20.736 ( 3.063 1.242 0.235) 3.314 20.869 ( 1.654 -0.038 -2.267) 2.807 21.780 ( -7.048 -6.361 8.988) 13.074 21.941 ( -4.997 -6.254 2.229) 8.310 22.021 ( -2.459 -0.465 -0.476) 2.547 22.114 ( 0.996 -2.300 0.308) 2.525 22.274 ( 1.452 -6.603 6.009) 9.045 22.341 ( 3.657 -3.807 6.924) 8.707 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 2.866 9.872 4.293) 11.140 0.945 ( -6.180 8.225 1.185) 10.356 0.973 ( 1.552 7.538 -0.014) 7.697 1.164 ( -0.379 10.641 1.343) 10.732 1.231 ( -0.316 3.935 1.870) 4.368 1.291 ( -2.911 13.057 0.965) 13.412 1.384 ( -2.534 2.968 -7.373) 8.342 1.552 ( 2.734 0.800 8.689) 9.144 1.681 ( -1.686 2.763 0.972) 3.379 1.748 ( -0.467 -2.373 -5.007) 5.560 1.868 ( -1.136 8.852 -0.509) 8.939 1.941 ( -0.594 7.309 0.137) 7.334 2.088 ( 0.470 -3.091 1.884) 3.650 2.125 ( 3.618 -3.050 3.224) 5.726 2.195 ( 0.496 1.726 5.896) 6.164 2.277 ( 2.031 -0.977 0.767) 2.381 2.292 ( 0.802 0.303 0.640) 1.070 2.345 ( -0.161 2.264 -2.486) 3.366 2.425 ( 2.922 7.575 0.269) 8.123 2.485 ( -1.411 2.193 -6.405) 6.916 2.772 ( 1.383 -2.454 -2.338) 3.660 2.874 ( 2.457 -3.910 -1.494) 4.854 2.992 ( -4.438 -0.266 -0.086) 4.446 3.037 ( -2.372 1.255 0.891) 2.827 3.234 ( -0.063 -5.251 0.236) 5.257 3.284 ( -0.568 -5.769 0.755) 5.846 3.421 ( 0.192 -2.287 0.872) 2.456 3.431 ( 1.003 -1.392 1.760) 2.459 3.474 ( -0.136 -1.478 0.678) 1.631 3.515 ( 1.274 -1.981 1.042) 2.575 3.636 ( -0.527 -5.184 4.073) 6.614 3.709 ( -0.289 -4.739 -5.090) 6.961 3.924 ( -0.014 6.390 -0.363) 6.400 3.998 ( -1.108 4.388 -1.203) 4.683 4.095 ( 2.783 -2.023 7.895) 8.612 4.155 ( 1.770 9.228 3.959) 10.196 4.223 ( 2.639 6.923 -2.099) 7.700 4.239 ( 0.992 -5.051 -6.832) 8.554 4.464 ( 0.810 4.366 3.078) 5.403 4.538 ( 4.403 6.878 -3.829) 9.019 4.650 ( -2.331 -2.411 3.907) 5.149 4.748 ( -6.511 -2.766 -1.652) 7.264 4.900 ( 0.610 4.469 3.673) 5.817 4.983 ( -0.355 3.293 -1.158) 3.509 5.076 ( 1.350 8.811 -2.990) 9.402 5.138 ( 0.060 0.940 -1.014) 1.384 5.321 ( 4.816 5.544 0.893) 7.398 5.340 ( 1.108 1.864 1.506) 2.640 5.379 ( -0.055 0.375 -3.007) 3.031 5.521 ( -3.577 -5.594 -1.851) 6.893 5.689 ( -2.072 4.147 -1.269) 4.806 5.801 ( -1.037 3.160 -2.306) 4.047 5.930 ( -0.941 6.023 1.084) 6.191 6.124 ( -3.504 1.405 0.332) 3.790 6.226 ( 2.461 -0.200 0.657) 2.555 6.305 ( -6.745 -0.408 -1.473) 6.916 6.504 ( -2.861 1.585 -1.077) 3.444 6.618 ( 4.245 4.629 1.651) 6.494 6.647 ( -1.495 -0.373 1.553) 2.188 6.718 ( 3.301 4.217 -1.789) 5.646 6.984 ( -3.850 -0.907 2.524) 4.692 7.066 ( -2.927 -1.819 0.465) 3.478 7.428 ( 2.360 3.134 1.644) 4.254 7.502 ( 2.557 5.047 -7.801) 9.637 8.091 ( 6.130 -8.313 10.224) 14.533 8.233 ( 8.161 -6.087 -5.603) 11.621 8.350 ( -1.024 -4.266 5.548) 7.073 8.447 ( 2.167 -1.946 -5.071) 5.848 8.504 ( -5.355 -6.348 -6.726) 10.687 8.602 ( -0.841 -7.418 2.189) 7.780 8.791 ( -0.629 -4.877 0.936) 5.006 8.924 ( -3.822 -10.465 -2.800) 11.487 9.388 ( 1.410 -5.392 3.377) 6.517 9.450 ( -2.448 -6.239 -1.955) 6.981 9.935 ( 2.690 -11.037 3.540) 11.899 10.043 ( 0.002 -10.368 0.941) 10.410 10.427 ( -1.725 0.346 5.654) 5.921 10.494 ( 4.197 -0.849 -2.472) 4.944 10.782 ( -0.460 -4.618 -2.951) 5.500 10.840 ( 0.526 -4.135 0.135) 4.171 11.238 ( -1.048 27.222 -2.274) 27.337 11.266 ( 0.810 24.538 -0.291) 24.553 11.806 ( -7.388 26.866 3.689) 28.106 11.862 ( -1.895 25.664 -3.775) 26.009 12.235 ( -0.482 -1.443 -1.347) 2.032 12.403 ( -0.556 -1.208 -0.371) 1.381 12.489 ( 0.716 -0.673 -0.098) 0.988 12.617 ( 2.207 -1.819 1.503) 3.231 13.531 ( -0.149 2.628 0.256) 2.644 13.569 ( -1.178 8.569 3.288) 9.253 13.614 ( 0.221 3.408 -1.816) 3.868 13.696 ( -1.008 8.941 -1.679) 9.153 14.230 ( 1.448 -0.877 -1.798) 2.470 14.277 ( 0.216 -1.537 -2.059) 2.579 14.846 ( -0.411 -1.713 1.387) 2.243 14.978 ( 0.852 -2.778 0.838) 3.024 15.079 ( 4.423 -8.202 13.359) 16.288 15.225 ( 2.192 -3.754 -6.468) 7.793 15.628 ( -3.276 -0.971 3.530) 4.913 15.678 ( -6.616 -1.458 -4.886) 8.353 16.501 ( -0.063 -4.777 2.709) 5.492 16.536 ( 0.965 -5.407 0.909) 5.568 16.737 ( -0.215 -8.336 -3.041) 8.876 16.798 ( 1.359 -6.368 -2.826) 7.098 19.657 ( 0.676 4.023 1.762) 4.444 19.691 ( 1.675 5.141 -0.745) 5.458 19.870 ( 4.339 5.523 7.573) 10.329 19.970 ( 0.849 9.415 -2.672) 9.824 20.116 ( -3.261 1.630 5.189) 6.341 20.188 ( 3.640 -0.180 -7.690) 8.510 20.254 ( -1.737 3.616 1.840) 4.413 20.394 ( -5.770 0.621 -10.859) 12.313 20.776 ( 1.512 0.351 0.239) 1.571 20.856 ( 0.409 -0.181 -1.287) 1.363 21.780 ( -2.270 -3.110 1.862) 4.277 21.905 ( -2.584 -4.591 1.141) 5.391 21.999 ( -0.381 -0.823 -0.141) 0.917 22.129 ( 0.373 -3.221 0.256) 3.253 22.339 ( 0.157 -4.415 2.083) 4.885 22.463 ( 1.876 -5.758 3.594) 7.042 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 19.857 0.000) 19.857 0.808 ( 0.000 20.016 0.000) 20.016 1.205 ( 0.000 1.032 0.000) 1.032 1.297 ( 0.000 8.033 0.000) 8.033 1.437 ( 0.000 23.891 0.000) 23.891 1.498 ( 0.000 2.657 0.000) 2.657 1.608 ( 0.000 3.678 0.000) 3.678 1.706 ( 0.000 -2.829 0.000) 2.829 1.718 ( 0.000 -1.660 0.000) 1.660 1.804 ( 0.000 14.988 0.000) 14.988 1.871 ( 0.000 6.208 0.000) 6.208 1.915 ( 0.000 2.555 0.000) 2.555 1.948 ( 0.000 4.455 0.000) 4.455 2.049 ( 0.000 3.482 0.000) 3.482 2.067 ( 0.000 1.785 0.000) 1.785 2.312 ( 0.000 -0.964 0.000) 0.964 2.437 ( 0.000 -0.701 0.000) 0.701 2.537 ( 0.000 1.156 0.000) 1.156 2.600 ( 0.000 -1.051 0.000) 1.051 2.619 ( 0.000 0.274 0.000) 0.274 2.825 ( 0.000 -0.347 0.000) 0.347 2.937 ( 0.000 -1.232 0.000) 1.232 2.973 ( 0.000 -0.966 0.000) 0.966 3.106 ( 0.000 -6.230 0.000) 6.230 3.132 ( 0.000 -6.540 0.000) 6.540 3.169 ( 0.000 -11.013 0.000) 11.013 3.204 ( 0.000 -1.044 0.000) 1.044 3.322 ( 0.000 -7.062 0.000) 7.062 3.383 ( 0.000 -3.818 0.000) 3.818 3.408 ( 0.000 5.405 0.000) 5.405 3.736 ( 0.000 -4.786 0.000) 4.786 3.873 ( 0.000 -0.160 0.000) 0.160 3.976 ( 0.000 11.882 0.000) 11.882 4.074 ( 0.000 6.555 0.000) 6.555 4.081 ( 0.000 0.024 0.000) 0.024 4.118 ( 0.000 3.027 0.000) 3.027 4.350 ( 0.000 7.159 0.000) 7.159 4.397 ( 0.000 -0.304 0.000) 0.304 4.515 ( 0.000 -5.369 0.000) 5.369 4.535 ( 0.000 4.209 0.000) 4.209 4.616 ( 0.000 6.523 0.000) 6.523 4.718 ( 0.000 6.515 0.000) 6.515 4.793 ( 0.000 7.915 0.000) 7.915 4.943 ( 0.000 7.972 0.000) 7.972 5.061 ( 0.000 6.579 0.000) 6.579 5.091 ( 0.000 -3.314 0.000) 3.314 5.369 ( 0.000 5.534 0.000) 5.534 5.384 ( 0.000 -2.767 0.000) 2.767 5.389 ( 0.000 5.898 0.000) 5.898 5.455 ( 0.000 -5.190 0.000) 5.190 5.494 ( 0.000 -11.077 0.000) 11.077 5.717 ( 0.000 -4.885 0.000) 4.885 6.188 ( 0.000 6.367 0.000) 6.367 6.253 ( 0.000 1.058 0.000) 1.058 6.341 ( 0.000 8.035 0.000) 8.035 6.398 ( 0.000 4.465 0.000) 4.465 6.493 ( 0.000 -0.920 0.000) 0.920 6.548 ( 0.000 11.272 0.000) 11.272 6.749 ( 0.000 11.619 0.000) 11.619 7.040 ( 0.000 -0.457 0.000) 0.457 7.219 ( 0.000 2.934 0.000) 2.934 7.308 ( 0.000 -0.181 0.000) 0.181 7.319 ( 0.000 1.624 0.000) 1.624 7.411 ( 0.000 -7.658 0.000) 7.658 7.614 ( 0.000 3.173 0.000) 3.173 7.962 ( 0.000 0.652 0.000) 0.652 8.030 ( 0.000 -4.637 0.000) 4.637 8.325 ( 0.000 -8.814 0.000) 8.814 8.342 ( 0.000 -6.067 0.000) 6.067 8.727 ( 0.000 -14.637 0.000) 14.637 8.760 ( 0.000 -1.028 0.000) 1.028 8.779 ( 0.000 4.787 0.000) 4.787 9.148 ( 0.000 0.412 0.000) 0.412 9.577 ( 0.000 -11.790 0.000) 11.790 9.742 ( 0.000 -5.765 0.000) 5.765 9.836 ( 0.000 -15.059 0.000) 15.059 10.386 ( 0.000 3.789 0.000) 3.789 10.504 ( 0.000 1.309 0.000) 1.309 10.618 ( 0.000 1.206 0.000) 1.206 10.891 ( 0.000 -7.536 0.000) 7.536 11.551 ( 0.000 18.658 0.000) 18.658 11.972 ( 0.000 8.295 0.000) 8.295 12.159 ( 0.000 -3.049 0.000) 3.049 12.198 ( 0.000 -1.703 0.000) 1.703 12.305 ( 0.000 -0.334 0.000) 0.334 12.325 ( 0.000 26.230 0.000) 26.230 12.591 ( 0.000 0.736 0.000) 0.736 13.024 ( 0.000 -0.966 0.000) 0.966 13.589 ( 0.000 6.946 0.000) 6.946 13.710 ( 0.000 9.313 0.000) 9.313 13.857 ( 0.000 14.787 0.000) 14.787 14.018 ( 0.000 0.155 0.000) 0.155 14.212 ( 0.000 2.293 0.000) 2.293 14.512 ( 0.000 0.898 0.000) 0.898 14.552 ( 0.000 -10.432 0.000) 10.432 14.612 ( 0.000 5.753 0.000) 5.753 14.831 ( 0.000 -2.097 0.000) 2.097 15.416 ( 0.000 0.549 0.000) 0.549 15.875 ( 0.000 -11.282 0.000) 11.282 16.194 ( 0.000 1.372 0.000) 1.372 16.212 ( 0.000 -9.140 0.000) 9.140 16.239 ( 0.000 -11.635 0.000) 11.635 16.598 ( 0.000 -4.480 0.000) 4.480 16.691 ( 0.000 -14.586 0.000) 14.586 19.556 ( 0.000 7.400 0.000) 7.400 19.927 ( 0.000 -1.692 0.000) 1.692 19.962 ( 0.000 8.906 0.000) 8.906 19.968 ( 0.000 10.582 0.000) 10.582 20.216 ( 0.000 4.510 0.000) 4.510 20.439 ( 0.000 -0.496 0.000) 0.496 20.657 ( 0.000 -4.508 0.000) 4.508 20.678 ( 0.000 -3.426 0.000) 3.426 20.820 ( 0.000 6.297 0.000) 6.297 20.893 ( 0.000 1.778 0.000) 1.778 21.013 ( 0.000 -1.683 0.000) 1.683 21.780 ( 0.000 -12.896 0.000) 12.896 22.051 ( 0.000 -0.381 0.000) 0.381 22.081 ( 0.000 -1.596 0.000) 1.596 22.120 ( 0.000 0.248 0.000) 0.248 22.125 ( 0.000 -0.050 0.000) 0.050 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -4.508 18.611 4.325) 19.632 0.829 ( 0.366 17.657 4.144) 18.141 1.209 ( -1.686 1.414 2.490) 3.323 1.315 ( -3.009 7.797 4.714) 9.596 1.461 ( -1.855 10.237 -0.827) 10.436 1.515 ( 1.483 12.972 5.070) 14.007 1.584 ( -3.617 3.575 -2.692) 5.754 1.702 ( 3.112 1.004 -0.467) 3.303 1.727 ( 0.114 2.530 -0.432) 2.569 1.784 ( 2.237 6.522 -2.331) 7.278 1.890 ( 0.039 6.033 0.738) 6.078 1.931 ( 2.009 2.374 0.514) 3.152 1.953 ( 0.612 3.303 0.645) 3.420 2.066 ( 4.897 3.823 0.462) 6.230 2.147 ( 1.776 2.918 5.406) 6.394 2.285 ( -1.030 -0.673 -2.877) 3.129 2.390 ( -2.731 1.040 -4.937) 5.737 2.452 ( -5.173 1.264 -3.054) 6.138 2.572 ( -2.640 2.100 -1.902) 3.872 2.643 ( 2.264 -0.925 1.356) 2.796 2.762 ( -0.310 -0.955 -6.792) 6.866 2.925 ( -2.486 -2.857 -1.216) 3.977 2.991 ( -1.350 -0.356 -2.706) 3.046 3.036 ( 0.235 -3.633 3.433) 5.004 3.126 ( -1.915 -7.927 0.078) 8.155 3.167 ( -1.065 -6.097 3.043) 6.897 3.256 ( 1.531 -4.009 0.437) 4.314 3.331 ( 0.166 -1.991 3.598) 4.116 3.383 ( -0.223 3.854 -0.376) 3.879 3.394 ( 0.616 -4.989 -0.458) 5.048 3.713 ( 0.401 -3.538 -3.538) 5.019 3.856 ( -3.253 4.104 -5.138) 7.337 3.919 ( -0.326 1.261 1.641) 2.095 4.048 ( 0.322 7.246 -0.675) 7.285 4.115 ( 1.031 5.402 -1.209) 5.631 4.178 ( 3.244 3.977 4.863) 7.070 4.351 ( -2.806 6.632 -4.028) 8.251 4.420 ( -0.794 5.223 -2.984) 6.067 4.452 ( 4.911 -0.406 -2.707) 5.623 4.547 ( 2.456 1.074 -2.299) 3.531 4.639 ( -0.416 0.918 6.493) 6.571 4.800 ( 1.905 7.431 -0.937) 7.728 4.831 ( 2.020 5.700 7.839) 9.901 4.980 ( 2.993 4.875 2.405) 6.206 5.029 ( -3.804 4.202 4.350) 7.145 5.176 ( 4.608 -1.087 2.729) 5.465 5.309 ( 3.952 2.058 -7.126) 8.404 5.420 ( -1.477 2.671 -0.602) 3.111 5.451 ( 1.508 1.287 1.419) 2.439 5.467 ( -0.502 -8.177 1.861) 8.402 5.607 ( 4.770 -6.862 13.016) 15.468 5.727 ( 0.756 -3.503 0.670) 3.646 6.153 ( -0.762 4.384 -0.989) 4.558 6.222 ( -1.137 5.860 -8.120) 10.078 6.304 ( 1.098 -2.028 0.669) 2.401 6.397 ( -6.252 2.251 -0.803) 6.693 6.488 ( 1.074 5.042 4.584) 6.899 6.636 ( 7.604 9.820 -0.014) 12.420 6.727 ( -0.851 8.776 -2.176) 9.082 7.016 ( -14.393 -0.465 -4.011) 14.949 7.062 ( -3.804 2.924 5.300) 7.149 7.226 ( -10.024 2.672 1.809) 10.531 7.354 ( 5.290 0.624 -2.024) 5.699 7.521 ( 7.500 -6.362 1.466) 9.943 7.650 ( 8.756 2.721 -4.552) 10.237 7.977 ( 6.157 -3.435 -5.267) 8.800 8.098 ( 4.475 -4.680 3.352) 7.292 8.325 ( -0.700 -8.205 -0.381) 8.244 8.362 ( -1.211 -5.597 5.670) 8.059 8.730 ( 0.035 -11.396 0.026) 11.396 8.760 ( -2.141 -0.888 1.176) 2.599 8.800 ( 1.531 2.063 0.275) 2.584 9.145 ( -0.307 -1.058 1.160) 1.600 9.540 ( -4.429 -10.972 -2.124) 12.021 9.683 ( -1.783 -6.508 -4.423) 8.069 9.808 ( -1.915 -13.859 -0.372) 13.996 10.406 ( -1.734 3.071 3.470) 4.947 10.493 ( 1.049 0.914 -2.461) 2.827 10.616 ( 1.451 0.652 0.082) 1.593 10.868 ( -1.714 -6.783 -1.354) 7.126 11.573 ( 1.623 18.228 1.481) 18.359 11.892 ( -4.035 11.748 -4.644) 13.261 12.166 ( -1.112 -0.765 -0.431) 1.417 12.212 ( 2.032 -3.553 -0.095) 4.094 12.335 ( 3.291 1.787 1.948) 4.222 12.402 ( 3.418 21.278 4.759) 22.070 12.559 ( -1.692 1.889 -2.405) 3.495 12.932 ( -4.814 5.453 -7.065) 10.141 13.586 ( 0.031 6.724 -0.215) 6.728 13.702 ( -0.962 8.483 -0.101) 8.538 13.855 ( -2.035 14.753 1.409) 14.959 13.989 ( -3.684 3.881 1.693) 5.613 14.252 ( 3.260 1.710 -0.109) 3.683 14.424 ( 2.365 -3.045 -8.731) 9.545 14.585 ( -3.519 1.638 4.223) 5.736 14.688 ( 2.618 -2.772 6.034) 7.138 14.850 ( 2.154 -1.327 1.158) 2.782 15.406 ( 2.581 0.162 -5.587) 6.157 15.838 ( -7.169 -7.318 -1.234) 10.319 15.863 ( -21.113 4.348 -2.111) 21.659 16.254 ( 1.755 -11.280 0.765) 11.441 16.318 ( 3.098 -7.952 1.405) 8.649 16.601 ( 3.069 -9.144 -4.755) 10.753 16.684 ( 1.092 -12.281 -1.959) 12.484 19.587 ( 2.571 7.011 2.105) 7.758 19.857 ( -0.772 7.320 -3.880) 8.321 19.918 ( 0.046 8.002 -4.821) 9.342 20.037 ( -1.957 3.355 7.498) 8.444 20.220 ( -4.564 5.742 4.813) 8.773 20.416 ( -3.882 0.369 1.021) 4.031 20.441 ( 6.559 2.733 -21.632) 22.769 20.693 ( 3.260 -2.173 -4.314) 5.827 20.801 ( -0.795 5.103 -2.022) 5.546 20.889 ( 0.600 1.725 -1.465) 2.341 21.324 ( 1.453 -13.418 25.058) 28.461 21.771 ( -3.402 -12.781 2.424) 13.446 22.042 ( -1.184 -0.907 -0.590) 1.604 22.070 ( 0.424 -1.334 -1.466) 2.027 22.128 ( 1.149 0.063 1.846) 2.176 22.176 ( 3.198 -1.008 2.417) 4.134 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -3.795 16.503 4.648) 17.560 0.953 ( 0.602 11.098 11.931) 16.306 1.221 ( -1.395 5.362 1.228) 5.675 1.319 ( -5.297 6.456 3.856) 9.198 1.391 ( -2.885 7.247 -2.330) 8.141 1.492 ( -0.328 6.448 -2.373) 6.879 1.583 ( -1.695 9.868 3.640) 10.654 1.665 ( -1.526 7.447 -6.242) 9.836 1.743 ( 2.999 -0.312 -3.023) 4.269 1.800 ( -1.219 0.581 -0.262) 1.376 1.932 ( 0.166 4.550 4.427) 6.350 1.972 ( 4.495 1.716 -0.362) 4.825 2.004 ( 0.586 3.288 5.903) 6.782 2.134 ( -0.853 1.306 -2.208) 2.703 2.180 ( 3.547 -1.137 -2.417) 4.440 2.241 ( -2.285 4.137 -2.395) 5.298 2.291 ( 1.601 0.686 1.832) 2.528 2.422 ( -0.212 4.333 1.980) 4.768 2.514 ( -0.556 3.407 -1.999) 3.989 2.635 ( 0.015 0.788 -6.050) 6.101 2.719 ( 2.747 -1.983 0.052) 3.388 2.850 ( 1.284 -1.398 -6.703) 6.967 2.992 ( -3.345 -0.161 5.344) 6.307 3.053 ( -2.259 -4.579 1.138) 5.231 3.122 ( -1.421 -2.955 1.820) 3.750 3.197 ( -1.137 -4.010 1.895) 4.578 3.292 ( 2.629 -4.701 2.417) 5.904 3.360 ( 0.799 -3.976 -0.774) 4.129 3.390 ( 0.301 -2.441 1.795) 3.045 3.433 ( 2.472 -1.057 1.441) 3.050 3.656 ( -0.861 0.365 -4.207) 4.310 3.730 ( -2.680 1.707 -4.672) 5.650 3.965 ( -2.089 -2.106 6.281) 6.946 4.068 ( 1.632 5.958 0.013) 6.177 4.129 ( 1.501 8.077 -0.646) 8.241 4.225 ( 1.852 4.224 -5.000) 6.802 4.282 ( 2.390 4.538 2.006) 5.507 4.327 ( -2.873 4.496 -4.720) 7.123 4.509 ( 3.760 1.819 -0.508) 4.207 4.565 ( 0.389 5.623 3.062) 6.414 4.707 ( 0.442 1.520 0.347) 1.621 4.796 ( -3.306 4.114 0.512) 5.303 4.917 ( 2.249 3.354 1.594) 4.341 5.038 ( -1.078 3.940 5.213) 6.623 5.118 ( 3.054 3.005 5.644) 7.086 5.278 ( 3.841 -0.525 2.965) 4.881 5.309 ( 3.565 5.622 -2.965) 7.287 5.364 ( 1.170 2.245 -3.999) 4.732 5.455 ( 0.124 -3.592 -2.785) 4.547 5.459 ( -0.489 0.796 -1.279) 1.584 5.749 ( 0.421 -0.995 0.979) 1.458 5.820 ( 0.113 -3.450 9.617) 10.218 6.079 ( -0.038 4.419 -9.452) 10.434 6.164 ( -0.116 -0.932 1.708) 1.949 6.239 ( -8.167 -2.474 -2.252) 8.826 6.347 ( -2.669 -1.968 2.091) 3.920 6.560 ( 3.657 4.781 0.221) 6.024 6.663 ( -1.318 4.042 -2.976) 5.189 6.737 ( -0.325 9.831 2.339) 10.111 6.806 ( -1.486 5.878 -2.872) 6.709 7.085 ( -5.793 3.549 4.658) 8.237 7.121 ( -7.779 4.087 3.471) 9.448 7.414 ( 5.303 2.237 -0.598) 5.786 7.601 ( 6.159 -5.704 -5.119) 9.832 7.739 ( 7.872 -0.291 1.645) 8.047 8.005 ( 8.336 -8.899 -5.496) 13.375 8.180 ( 0.353 -7.372 3.344) 8.103 8.327 ( 2.562 -9.414 -1.353) 9.850 8.427 ( -0.582 -3.160 4.761) 5.743 8.663 ( -7.275 0.443 -5.041) 8.862 8.743 ( -0.997 -8.276 1.196) 8.421 8.793 ( -1.745 -0.720 -1.587) 2.467 9.197 ( 1.332 -4.404 4.440) 6.394 9.407 ( -5.870 -8.942 -4.107) 11.458 9.643 ( 1.240 -9.403 0.763) 9.515 9.805 ( 0.281 -11.920 1.163) 11.980 10.424 ( -2.197 2.768 4.024) 5.355 10.479 ( 2.549 0.513 -2.679) 3.734 10.674 ( 3.532 -1.203 1.877) 4.177 10.816 ( -2.322 -4.499 -1.726) 5.349 11.629 ( 1.962 16.463 2.475) 16.763 11.777 ( -2.887 15.994 -4.233) 16.795 12.124 ( -2.599 -0.951 -0.986) 2.938 12.211 ( 0.086 -3.138 -3.083) 4.400 12.415 ( 2.673 4.924 1.367) 5.767 12.492 ( 0.946 11.688 1.594) 11.834 12.522 ( 1.206 10.603 0.656) 10.691 12.754 ( -5.042 14.578 -6.589) 16.773 13.590 ( 0.189 6.398 0.579) 6.427 13.685 ( -0.804 6.476 -0.576) 6.551 13.839 ( -3.096 15.086 2.628) 15.623 13.983 ( -2.113 10.001 2.655) 10.561 14.258 ( 1.606 1.102 -3.683) 4.166 14.319 ( 1.664 1.303 -10.990) 11.192 14.671 ( -0.471 -4.740 12.380) 13.265 14.772 ( 0.139 -3.403 4.183) 5.395 14.924 ( 3.821 0.683 1.847) 4.299 15.288 ( -1.300 0.333 -11.296) 11.375 15.633 ( -10.155 2.901 5.354) 11.841 15.749 ( -6.567 -6.488 -1.604) 9.370 16.297 ( 1.307 -10.644 2.218) 10.951 16.378 ( 0.902 -7.905 2.967) 8.492 16.559 ( 1.722 -13.036 -5.478) 14.245 16.662 ( 1.511 -10.002 -4.064) 10.902 19.682 ( 4.196 6.092 3.838) 8.334 19.828 ( 1.520 8.005 -2.209) 8.442 19.879 ( 1.804 7.671 -0.401) 7.891 20.099 ( -3.039 1.637 6.727) 7.560 20.209 ( -5.364 8.172 3.830) 10.499 20.291 ( 6.174 2.368 -14.754) 16.168 20.369 ( -4.453 3.016 1.332) 5.541 20.614 ( -1.120 -0.428 -10.582) 10.649 20.778 ( 0.900 2.974 -0.470) 3.143 20.875 ( 0.931 1.004 -2.192) 2.584 21.578 ( -1.504 -13.093 12.595) 18.230 21.757 ( -4.045 -11.951 3.483) 13.089 22.008 ( -1.742 -0.588 -0.626) 1.942 22.059 ( 0.716 -2.365 -1.430) 2.855 22.197 ( 2.618 -1.638 3.367) 4.568 22.267 ( 3.508 -3.161 3.340) 5.783 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -1.458 13.229 2.720) 13.584 1.099 ( -1.815 7.904 8.185) 11.522 1.178 ( -0.126 11.110 -4.619) 12.033 1.318 ( 0.794 7.305 4.382) 8.555 1.361 ( -1.502 6.094 1.378) 6.426 1.495 ( -1.443 7.695 -3.812) 8.708 1.557 ( 2.362 8.021 -2.931) 8.861 1.608 ( -1.504 6.001 4.586) 7.701 1.706 ( -2.626 -0.667 -4.498) 5.251 1.727 ( -1.146 1.909 -2.568) 3.399 1.951 ( -0.698 0.749 0.774) 1.284 2.049 ( -1.394 0.076 -0.125) 1.401 2.054 ( -0.245 0.677 -0.724) 1.021 2.082 ( 3.470 -0.252 2.260) 4.149 2.238 ( 2.506 -0.395 2.806) 3.783 2.256 ( 1.924 0.001 2.855) 3.443 2.328 ( 1.040 2.803 -1.291) 3.256 2.375 ( -3.272 2.095 -4.279) 5.780 2.555 ( 2.425 6.299 2.365) 7.152 2.594 ( 1.220 4.363 -0.652) 4.577 2.740 ( -0.198 0.281 -1.577) 1.615 2.796 ( 1.538 -3.015 -2.627) 4.285 2.997 ( -2.664 0.867 1.765) 3.311 3.049 ( -0.948 -0.778 1.577) 1.997 3.118 ( -0.409 -4.185 0.315) 4.216 3.191 ( -0.848 -2.971 -0.146) 3.093 3.343 ( 0.877 -4.524 0.280) 4.617 3.360 ( 0.177 -5.662 -0.421) 5.680 3.438 ( 1.129 -1.585 3.562) 4.058 3.477 ( 1.870 -1.410 -0.613) 2.421 3.598 ( -1.077 -0.237 -1.376) 1.764 3.659 ( -1.200 -0.713 -1.822) 2.296 4.030 ( -1.465 -0.403 6.298) 6.478 4.079 ( -0.195 3.957 0.255) 3.970 4.105 ( 0.913 6.200 -1.340) 6.409 4.170 ( 1.515 -0.437 -8.943) 9.081 4.332 ( 2.334 6.994 3.604) 8.206 4.352 ( 1.263 6.094 2.196) 6.600 4.526 ( 1.759 3.000 0.390) 3.499 4.631 ( -2.913 1.223 1.519) 3.505 4.662 ( 1.712 5.083 -2.612) 5.966 4.730 ( -3.686 2.041 -0.999) 4.330 4.975 ( 1.718 2.732 1.750) 3.671 5.075 ( -0.932 4.878 1.644) 5.231 5.207 ( -0.814 4.736 4.535) 6.608 5.246 ( 0.400 5.988 -4.927) 7.764 5.360 ( 1.360 1.838 2.256) 3.212 5.397 ( 2.166 -0.072 -1.453) 2.610 5.420 ( 2.617 1.861 -2.978) 4.379 5.431 ( -0.360 -0.440 -0.392) 0.691 5.767 ( -0.151 2.458 2.267) 3.348 5.840 ( -2.537 0.713 -2.212) 3.441 5.996 ( -0.370 -1.073 -2.254) 2.524 6.132 ( -2.976 -0.917 0.292) 3.128 6.185 ( 0.402 -2.389 0.235) 2.434 6.316 ( -3.672 -0.164 1.160) 3.854 6.562 ( -1.103 5.338 -0.777) 5.505 6.612 ( -0.686 1.566 -1.255) 2.121 6.777 ( 4.023 9.175 1.964) 10.209 6.851 ( 3.811 8.234 -1.110) 9.141 7.030 ( -4.601 5.104 1.898) 7.129 7.082 ( -4.458 3.680 1.281) 5.920 7.484 ( 1.882 1.854 3.422) 4.323 7.566 ( 2.324 0.083 -7.370) 7.728 7.922 ( 5.798 -8.238 8.377) 13.102 8.037 ( 5.574 -12.735 -6.255) 15.244 8.237 ( -0.173 -7.444 6.226) 9.706 8.323 ( 1.531 -10.564 -4.665) 11.649 8.441 ( -6.237 1.049 -5.945) 8.680 8.474 ( -2.022 -3.319 1.514) 4.171 8.727 ( -1.880 -1.491 -1.060) 2.623 8.752 ( -0.699 -5.520 0.419) 5.580 9.260 ( 0.263 -6.827 2.717) 7.352 9.306 ( -1.874 -7.665 -2.366) 8.238 9.715 ( 2.146 -11.192 3.021) 11.789 9.824 ( 0.384 -11.503 0.332) 11.514 10.451 ( -0.684 2.026 2.141) 3.026 10.499 ( 2.082 0.784 0.074) 2.226 10.726 ( 1.621 -1.598 -0.938) 2.462 10.769 ( -1.380 -2.211 -0.029) 2.606 11.676 ( -0.242 14.481 1.689) 14.581 11.712 ( 0.128 17.359 -1.972) 17.471 12.088 ( -0.865 -1.464 -0.077) 1.702 12.147 ( -1.482 -0.304 -2.971) 3.334 12.440 ( 0.297 14.581 0.567) 14.595 12.495 ( -0.219 2.130 -1.268) 2.489 12.571 ( 1.420 19.281 1.703) 19.408 12.651 ( -1.367 11.682 -1.959) 11.924 13.602 ( 0.128 6.078 0.552) 6.104 13.667 ( -0.291 4.519 -0.578) 4.565 13.861 ( -0.883 17.698 4.461) 18.272 13.965 ( -1.432 16.959 -2.094) 17.148 14.211 ( 0.848 -0.401 -3.907) 4.018 14.233 ( 0.102 -2.966 -2.634) 3.968 14.797 ( 0.427 -3.229 2.855) 4.331 14.856 ( -0.131 -7.344 6.567) 9.853 14.992 ( 1.411 -0.467 5.438) 5.637 15.142 ( 0.757 -3.425 -10.037) 10.632 15.598 ( -4.341 -1.497 2.108) 5.053 15.655 ( -2.138 -0.416 -0.902) 2.358 16.350 ( 0.311 -10.409 3.587) 11.014 16.399 ( 0.456 -8.716 -1.881) 8.928 16.529 ( 0.205 -12.049 -0.457) 12.059 16.626 ( 0.948 -10.332 -3.068) 10.820 19.759 ( 1.042 5.750 1.067) 5.940 19.821 ( 1.308 7.469 -1.143) 7.668 19.997 ( 5.957 5.169 7.126) 10.630 20.136 ( -3.446 2.934 5.332) 6.994 20.174 ( -3.240 8.876 -0.174) 9.450 20.194 ( 2.944 0.451 -9.302) 9.768 20.341 ( -1.854 4.706 1.583) 5.300 20.422 ( -3.626 2.218 -8.833) 9.802 20.793 ( 0.959 1.617 -0.002) 1.880 20.860 ( 0.305 0.877 -1.132) 1.464 21.661 ( -0.946 -9.421 3.399) 10.060 21.751 ( -1.689 -10.940 1.512) 11.172 21.987 ( -0.537 -0.373 -0.083) 0.660 22.051 ( 0.216 -3.601 -0.574) 3.652 22.263 ( 1.122 -2.740 1.577) 3.355 22.344 ( 1.609 -5.376 1.756) 5.880 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 19.910 0.000) 19.910 1.181 ( 0.000 17.140 0.000) 17.140 1.228 ( 0.000 4.796 0.000) 4.796 1.497 ( 0.000 8.923 0.000) 8.923 1.569 ( 0.000 4.436 0.000) 4.436 1.643 ( 0.000 0.352 0.000) 0.352 1.665 ( 0.000 -0.700 0.000) 0.700 1.677 ( 0.000 -0.801 0.000) 0.801 1.811 ( 0.000 12.437 0.000) 12.437 1.872 ( 0.000 -6.684 0.000) 6.684 1.980 ( 0.000 2.560 0.000) 2.560 1.996 ( 0.000 -0.397 0.000) 0.397 2.034 ( 0.000 7.205 0.000) 7.205 2.081 ( 0.000 -0.784 0.000) 0.784 2.116 ( 0.000 2.986 0.000) 2.986 2.289 ( 0.000 -1.091 0.000) 1.091 2.436 ( 0.000 0.764 0.000) 0.764 2.559 ( 0.000 1.371 0.000) 1.371 2.594 ( 0.000 1.024 0.000) 1.024 2.615 ( 0.000 -0.589 0.000) 0.589 2.830 ( 0.000 -0.357 0.000) 0.357 2.875 ( 0.000 -5.822 0.000) 5.822 2.917 ( 0.000 -11.215 0.000) 11.215 2.936 ( 0.000 -8.898 0.000) 8.898 3.021 ( 0.000 7.120 0.000) 7.120 3.078 ( 0.000 2.333 0.000) 2.333 3.221 ( 0.000 -3.093 0.000) 3.093 3.276 ( 0.000 -4.975 0.000) 4.975 3.311 ( 0.000 8.635 0.000) 8.635 3.552 ( 0.000 -2.255 0.000) 2.255 3.558 ( 0.000 -2.686 0.000) 2.686 3.803 ( 0.000 -7.695 0.000) 7.695 4.167 ( 0.000 5.137 0.000) 5.137 4.185 ( 0.000 5.907 0.000) 5.907 4.185 ( 0.000 7.636 0.000) 7.636 4.212 ( 0.000 7.279 0.000) 7.279 4.380 ( 0.000 -6.478 0.000) 6.478 4.401 ( 0.000 0.788 0.000) 0.788 4.530 ( 0.000 10.528 0.000) 10.528 4.625 ( 0.000 3.698 0.000) 3.698 4.753 ( 0.000 6.281 0.000) 6.281 4.867 ( 0.000 8.145 0.000) 8.145 4.891 ( 0.000 1.875 0.000) 1.875 4.965 ( 0.000 -8.906 0.000) 8.906 5.063 ( 0.000 3.848 0.000) 3.848 5.170 ( 0.000 4.096 0.000) 4.096 5.278 ( 0.000 -9.275 0.000) 9.275 5.322 ( 0.000 -5.767 0.000) 5.767 5.429 ( 0.000 7.090 0.000) 7.090 5.436 ( 0.000 1.270 0.000) 1.270 5.573 ( 0.000 7.588 0.000) 7.588 5.603 ( 0.000 -6.140 0.000) 6.140 6.230 ( 0.000 0.497 0.000) 0.497 6.263 ( 0.000 0.261 0.000) 0.261 6.403 ( 0.000 0.195 0.000) 0.195 6.455 ( 0.000 -2.720 0.000) 2.720 6.632 ( 0.000 16.084 0.000) 16.084 6.796 ( 0.000 11.562 0.000) 11.562 6.997 ( 0.000 12.915 0.000) 12.915 7.044 ( 0.000 0.910 0.000) 0.910 7.239 ( 0.000 -8.919 0.000) 8.919 7.288 ( 0.000 -2.050 0.000) 2.050 7.344 ( 0.000 10.076 0.000) 10.076 7.377 ( 0.000 4.457 0.000) 4.457 7.597 ( 0.000 -5.161 0.000) 5.161 7.813 ( 0.000 -14.319 0.000) 14.319 7.945 ( 0.000 -5.907 0.000) 5.907 8.079 ( 0.000 -14.989 0.000) 14.989 8.320 ( 0.000 4.094 0.000) 4.094 8.512 ( 0.000 -5.640 0.000) 5.640 8.869 ( 0.000 9.426 0.000) 9.426 8.875 ( 0.000 4.814 0.000) 4.814 9.124 ( 0.000 -2.471 0.000) 2.471 9.348 ( 0.000 -10.538 0.000) 10.538 9.523 ( 0.000 -15.486 0.000) 15.486 9.583 ( 0.000 -10.104 0.000) 10.104 10.444 ( 0.000 2.228 0.000) 2.228 10.511 ( 0.000 -0.362 0.000) 0.362 10.648 ( 0.000 1.765 0.000) 1.765 10.780 ( 0.000 -3.890 0.000) 3.890 11.881 ( 0.000 13.087 0.000) 13.087 12.078 ( 0.000 2.681 0.000) 2.681 12.109 ( 0.000 -1.730 0.000) 1.730 12.155 ( 0.000 -2.226 0.000) 2.226 12.353 ( 0.000 4.957 0.000) 4.957 12.630 ( 0.000 3.542 0.000) 3.542 12.638 ( 0.000 5.593 0.000) 5.593 12.964 ( 0.000 -4.750 0.000) 4.750 13.784 ( 0.000 11.907 0.000) 11.907 13.901 ( 0.000 7.735 0.000) 7.735 14.019 ( 0.000 -0.034 0.000) 0.034 14.217 ( 0.000 18.813 0.000) 18.813 14.301 ( 0.000 7.169 0.000) 7.169 14.351 ( 0.000 -9.557 0.000) 9.557 14.530 ( 0.000 0.731 0.000) 0.731 14.790 ( 0.000 -2.100 0.000) 2.100 14.844 ( 0.000 19.411 0.000) 19.411 15.453 ( 0.000 3.721 0.000) 3.721 15.665 ( 0.000 -9.072 0.000) 9.072 15.966 ( 0.000 -15.156 0.000) 15.156 16.020 ( 0.000 -10.396 0.000) 10.396 16.233 ( 0.000 2.388 0.000) 2.388 16.354 ( 0.000 -19.708 0.000) 19.708 16.491 ( 0.000 -5.887 0.000) 5.887 19.698 ( 0.000 6.505 0.000) 6.505 19.892 ( 0.000 -1.777 0.000) 1.777 20.128 ( 0.000 8.226 0.000) 8.226 20.182 ( 0.000 9.849 0.000) 9.849 20.306 ( 0.000 4.351 0.000) 4.351 20.426 ( 0.000 -0.694 0.000) 0.694 20.560 ( 0.000 -5.043 0.000) 5.043 20.586 ( 0.000 -5.886 0.000) 5.886 20.920 ( 0.000 3.472 0.000) 3.472 20.952 ( 0.000 3.910 0.000) 3.910 20.984 ( 0.000 -0.554 0.000) 0.554 21.513 ( 0.000 -13.317 0.000) 13.317 22.045 ( 0.000 -0.259 0.000) 0.259 22.057 ( 0.000 -0.888 0.000) 0.888 22.123 ( 0.000 0.092 0.000) 0.092 22.124 ( 0.000 -0.037 0.000) 0.037 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -6.448 17.719 2.547) 19.027 1.165 ( -0.836 15.340 0.200) 15.364 1.258 ( 0.964 6.296 2.606) 6.882 1.487 ( -1.250 7.715 -0.275) 7.820 1.582 ( 0.929 4.782 -0.242) 4.877 1.640 ( -1.826 1.997 -1.153) 2.942 1.680 ( -0.890 -0.737 2.999) 3.214 1.687 ( 3.626 0.727 -1.699) 4.070 1.820 ( -1.963 10.459 3.443) 11.185 1.869 ( -1.389 -2.164 -3.873) 4.649 1.918 ( 0.458 -2.789 0.639) 2.897 1.980 ( 0.912 -1.027 -2.036) 2.456 2.038 ( -0.530 4.604 0.635) 4.677 2.121 ( 0.873 1.346 -0.680) 1.743 2.181 ( 2.917 0.835 6.368) 7.054 2.266 ( -1.239 -0.850 -2.993) 3.349 2.416 ( -1.435 1.891 -1.455) 2.784 2.493 ( -3.233 3.431 -1.491) 4.944 2.587 ( -1.666 -0.256 -1.396) 2.189 2.639 ( 0.189 0.273 2.039) 2.065 2.774 ( -1.136 -0.161 -5.272) 5.395 2.842 ( -0.167 -4.518 -3.505) 5.720 2.902 ( -1.425 -6.169 1.767) 6.573 2.947 ( -1.101 -6.558 2.749) 7.195 3.065 ( 3.694 -0.468 -0.450) 3.751 3.097 ( 1.514 4.597 4.622) 6.692 3.233 ( -2.267 -1.824 1.158) 3.132 3.279 ( 0.569 -4.055 -1.269) 4.287 3.313 ( 1.931 1.788 -0.273) 2.646 3.512 ( -1.185 5.418 -2.834) 6.228 3.580 ( -0.795 -6.600 3.382) 7.459 3.785 ( -5.198 -7.981 3.468) 10.136 4.077 ( 0.900 10.367 -10.559) 14.825 4.172 ( 2.161 4.330 -2.379) 5.393 4.235 ( 1.708 6.644 2.280) 7.229 4.258 ( 5.379 3.367 -0.521) 6.367 4.442 ( 0.790 2.392 -1.272) 2.822 4.461 ( 4.287 -1.958 3.285) 5.744 4.521 ( -1.001 4.205 -6.762) 8.026 4.602 ( 4.765 8.892 4.692) 11.126 4.714 ( -3.920 4.739 0.836) 6.207 4.872 ( 0.827 -1.251 -3.862) 4.143 4.939 ( -0.166 3.243 4.803) 5.797 5.005 ( 2.480 -0.529 5.278) 5.856 5.107 ( 0.651 3.620 4.206) 5.587 5.178 ( 1.233 1.714 1.195) 2.426 5.311 ( 1.099 -6.821 2.845) 7.472 5.360 ( 1.671 -4.729 2.005) 5.401 5.378 ( 3.722 3.348 -4.363) 6.641 5.505 ( -0.676 3.241 3.557) 4.860 5.605 ( 2.118 0.451 3.487) 4.105 5.662 ( 2.554 0.188 5.014) 5.630 6.192 ( -3.145 1.115 -1.090) 3.511 6.257 ( -1.719 -2.089 -1.346) 3.022 6.305 ( -3.716 0.488 -7.376) 8.273 6.376 ( -6.013 -3.121 -3.307) 7.539 6.670 ( 2.651 13.103 1.273) 13.429 6.856 ( 6.804 9.876 -2.391) 12.229 6.884 ( -3.832 7.284 -4.008) 9.155 7.039 ( -7.713 4.568 1.108) 9.032 7.181 ( -3.857 4.978 4.570) 7.781 7.260 ( -6.547 1.032 2.628) 7.130 7.371 ( 2.400 1.642 0.551) 2.960 7.439 ( 5.975 0.113 -1.020) 6.063 7.638 ( 8.192 -4.118 -3.991) 10.000 7.810 ( 2.587 -13.059 -3.518) 13.770 7.962 ( 2.706 -8.999 -0.114) 9.398 8.088 ( -1.976 -13.872 2.271) 14.195 8.363 ( -0.453 4.038 6.132) 7.356 8.561 ( 3.145 -3.749 2.997) 5.738 8.838 ( -3.031 6.042 -0.409) 6.772 8.890 ( 0.677 6.600 -1.586) 6.821 9.098 ( -1.307 -3.403 -0.549) 3.687 9.326 ( -3.312 -9.787 -1.081) 10.389 9.499 ( -1.744 -12.325 -2.606) 12.717 9.547 ( -0.873 -11.317 -0.704) 11.372 10.453 ( -1.126 1.688 2.185) 2.982 10.497 ( 0.238 -0.290 -1.862) 1.900 10.635 ( -0.135 1.306 -0.242) 1.335 10.767 ( -1.215 -3.636 -0.352) 3.850 11.872 ( -0.304 10.925 -0.977) 10.973 12.045 ( -1.868 4.545 -1.096) 5.035 12.110 ( -0.373 -2.898 -2.165) 3.637 12.156 ( 1.975 -2.016 -1.232) 3.079 12.404 ( 3.589 5.111 2.711) 6.808 12.616 ( -0.816 4.205 -0.996) 4.398 12.677 ( 2.311 4.880 2.710) 6.041 12.959 ( -1.122 -2.386 0.431) 2.672 13.781 ( 0.423 11.925 -0.612) 11.948 13.892 ( -0.799 8.478 -0.808) 8.554 14.026 ( 0.469 0.719 0.863) 1.217 14.185 ( -4.101 14.149 0.791) 14.753 14.296 ( -0.425 -0.160 -2.959) 2.994 14.364 ( 3.061 3.856 2.945) 5.736 14.595 ( 0.792 -0.476 5.317) 5.397 14.739 ( -4.295 2.388 0.515) 4.942 14.912 ( 7.423 13.442 -0.720) 15.373 15.418 ( 1.076 1.171 -6.546) 6.736 15.671 ( -2.284 -5.599 3.096) 6.793 15.903 ( -7.494 -7.430 -3.530) 11.127 16.029 ( -2.928 -8.048 3.949) 9.431 16.175 ( -0.736 -4.155 -2.062) 4.697 16.320 ( 1.321 -18.562 -5.712) 19.466 16.492 ( 0.419 -8.043 -1.190) 8.141 19.722 ( 2.137 6.135 1.428) 6.651 19.906 ( 2.390 -0.768 -0.681) 2.601 20.072 ( -0.079 7.779 -6.225) 9.963 20.175 ( -4.118 8.143 4.025) 9.973 20.334 ( -2.438 5.586 4.942) 7.847 20.406 ( -2.868 -1.459 -1.330) 3.482 20.451 ( 2.342 -0.925 -8.539) 8.902 20.645 ( 2.880 -2.846 -1.199) 4.223 20.890 ( -1.507 3.601 -2.259) 4.510 20.948 ( -0.137 4.434 -1.277) 4.616 21.113 ( 2.827 -8.196 12.577) 15.276 21.505 ( -2.335 -13.404 1.484) 13.687 22.032 ( -1.043 -0.239 -0.764) 1.315 22.048 ( -0.083 -0.842 -1.058) 1.355 22.132 ( 0.979 0.263 1.414) 1.739 22.160 ( 2.359 -0.686 1.444) 2.850 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -6.179 14.378 3.008) 15.936 1.187 ( 0.495 11.688 3.513) 12.215 1.322 ( -0.061 6.119 5.107) 7.970 1.462 ( -1.290 7.645 -0.003) 7.753 1.555 ( -1.401 7.623 -3.984) 8.715 1.589 ( -0.415 2.923 -2.115) 3.632 1.673 ( -0.732 0.692 -0.373) 1.074 1.719 ( 0.381 -0.415 -0.103) 0.572 1.783 ( -2.201 2.239 -3.114) 4.422 1.834 ( -2.209 5.924 1.515) 6.502 1.971 ( 2.360 -2.603 -1.313) 3.751 1.994 ( 2.175 -3.163 2.510) 4.586 2.020 ( -4.481 -0.210 2.926) 5.356 2.131 ( 2.159 -3.348 -1.589) 4.289 2.171 ( -1.777 2.167 -4.422) 5.235 2.268 ( 0.272 0.996 0.621) 1.205 2.364 ( -0.731 4.663 -0.641) 4.763 2.477 ( -2.767 1.787 1.173) 3.496 2.567 ( 2.545 2.353 0.653) 3.527 2.642 ( -1.363 -0.665 0.081) 1.519 2.705 ( 0.306 -0.924 -2.953) 3.109 2.818 ( 2.645 -0.999 -3.022) 4.138 2.937 ( 0.090 -3.666 4.546) 5.841 2.978 ( -1.372 -2.934 4.289) 5.374 3.132 ( 2.558 -2.536 1.479) 3.894 3.163 ( 0.316 3.804 1.131) 3.981 3.223 ( 0.497 -2.449 0.356) 2.524 3.273 ( 0.846 -1.634 0.127) 1.844 3.326 ( 1.485 -3.112 0.179) 3.453 3.482 ( 0.270 3.747 -1.072) 3.906 3.595 ( -2.523 -3.158 1.864) 4.452 3.744 ( -6.025 -5.460 0.916) 8.182 3.982 ( 0.602 7.387 -2.615) 7.860 4.170 ( 1.462 3.514 -1.849) 4.232 4.253 ( 3.570 -0.113 -9.691) 10.328 4.318 ( 1.004 10.025 1.741) 10.225 4.350 ( 2.761 2.438 -5.539) 6.652 4.476 ( -1.939 7.998 1.171) 8.312 4.553 ( 4.024 1.750 0.898) 4.479 4.673 ( 1.340 5.322 1.853) 5.792 4.759 ( 1.068 3.098 1.060) 3.444 4.833 ( -1.073 -0.622 -0.508) 1.340 4.970 ( 1.930 1.866 0.103) 2.687 5.106 ( -1.807 2.096 6.138) 6.733 5.195 ( 3.026 4.711 5.886) 8.123 5.250 ( 3.689 -1.107 3.013) 4.890 5.367 ( -1.615 0.285 3.300) 3.686 5.373 ( 1.406 -1.501 -1.383) 2.479 5.412 ( 5.399 1.738 -2.034) 6.026 5.511 ( -0.718 1.372 -0.504) 1.629 5.694 ( 2.970 -3.592 1.365) 4.857 5.794 ( 2.514 1.168 8.391) 8.837 6.057 ( -6.372 -5.273 -11.092) 13.836 6.145 ( -4.782 -2.974 -1.019) 5.723 6.195 ( -4.901 -0.672 -0.583) 4.981 6.293 ( -3.281 -3.167 1.044) 4.678 6.723 ( 4.848 11.520 -1.509) 12.589 6.781 ( -0.410 9.541 -2.744) 9.936 6.933 ( -4.289 8.095 0.105) 9.161 6.965 ( 6.087 9.253 -0.464) 11.085 7.192 ( -5.723 3.899 3.487) 7.754 7.225 ( -5.562 8.231 5.895) 11.552 7.429 ( 3.051 -4.419 1.582) 5.598 7.470 ( 3.671 -1.566 -2.951) 4.963 7.708 ( 9.131 -5.267 -4.265) 11.371 7.787 ( 2.752 -11.751 -4.939) 13.041 8.003 ( 0.155 -10.914 2.259) 11.147 8.078 ( -1.723 -14.462 0.566) 14.575 8.448 ( 0.841 4.352 5.215) 6.844 8.644 ( 1.960 -1.295 2.402) 3.360 8.734 ( -8.513 5.542 -3.885) 10.875 8.824 ( -2.475 2.733 -4.747) 6.011 9.114 ( 0.645 -3.347 2.469) 4.209 9.239 ( -3.768 -7.057 -2.493) 8.380 9.446 ( -0.269 -10.207 0.221) 10.213 9.569 ( 1.586 -11.875 1.095) 12.031 10.471 ( -1.228 1.746 3.125) 3.784 10.486 ( 1.728 0.193 -1.325) 2.186 10.661 ( 2.081 -0.137 1.494) 2.566 10.748 ( -1.221 -2.609 0.304) 2.897 11.851 ( -1.256 6.882 -0.008) 6.995 12.001 ( -0.464 6.911 -3.610) 7.811 12.057 ( -1.650 -3.609 -2.429) 4.652 12.144 ( 0.408 -2.850 -3.447) 4.492 12.494 ( 3.123 4.428 2.637) 6.027 12.591 ( -0.153 5.614 -1.425) 5.794 12.759 ( 1.629 4.440 4.868) 6.787 12.945 ( -0.778 2.472 -0.662) 2.675 13.783 ( 0.439 11.595 -0.158) 11.604 13.854 ( -1.509 9.307 -2.059) 9.651 14.065 ( 1.733 1.586 2.762) 3.626 14.150 ( -3.230 6.721 2.315) 7.807 14.256 ( 0.386 6.436 -2.598) 6.951 14.449 ( 2.951 8.820 -0.327) 9.306 14.642 ( -3.295 1.459 6.164) 7.140 14.733 ( -0.138 -0.924 3.168) 3.303 15.009 ( 6.977 10.418 -1.051) 12.582 15.292 ( -1.033 0.403 -11.976) 12.028 15.661 ( -5.691 -0.543 1.342) 5.872 15.720 ( -8.698 3.393 0.681) 9.361 16.056 ( 1.406 -11.794 1.672) 11.994 16.193 ( 0.046 -10.821 2.159) 11.034 16.259 ( 1.868 -16.725 -4.721) 17.478 16.461 ( -0.125 -10.510 -3.506) 11.080 19.796 ( 3.751 5.104 2.731) 6.897 19.939 ( 2.773 0.976 0.074) 2.940 20.003 ( 1.808 6.856 -4.822) 8.574 20.180 ( -4.390 5.541 5.881) 9.196 20.301 ( -0.850 -0.069 -6.948) 7.000 20.358 ( -1.965 6.002 2.118) 6.661 20.423 ( -2.724 2.227 2.338) 4.225 20.607 ( 0.171 -0.463 -8.259) 8.274 20.848 ( -0.316 3.899 -0.946) 4.024 20.923 ( 0.064 4.111 -1.994) 4.569 21.311 ( 1.917 -13.015 10.042) 16.550 21.497 ( -2.262 -13.563 2.294) 13.940 22.003 ( -1.192 0.061 -0.767) 1.418 22.028 ( -0.189 -0.951 -1.501) 1.787 22.181 ( 1.916 -0.319 2.169) 2.911 22.219 ( 2.465 -1.784 1.758) 3.514 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.488 12.404 1.223) 12.710 1.265 ( 1.241 7.687 5.457) 9.508 1.344 ( -1.610 5.232 -1.394) 5.649 1.471 ( -1.130 6.178 -1.108) 6.377 1.477 ( 0.419 7.082 1.249) 7.204 1.587 ( -0.102 4.813 -2.222) 5.302 1.659 ( 3.103 3.332 -0.248) 4.560 1.702 ( -0.273 0.946 -0.788) 1.261 1.740 ( -2.601 4.134 1.042) 4.994 1.777 ( -3.687 2.988 -2.799) 5.510 1.945 ( -0.096 -0.789 -1.063) 1.327 2.023 ( -2.417 -2.233 1.163) 3.491 2.057 ( -1.299 -1.841 2.687) 3.506 2.087 ( 3.383 -1.066 -2.100) 4.122 2.185 ( 1.858 -3.655 0.077) 4.101 2.268 ( -0.510 -0.694 0.489) 0.990 2.352 ( 1.511 3.279 -1.924) 4.091 2.426 ( -3.243 2.584 -0.617) 4.192 2.612 ( 0.268 -0.634 -0.066) 0.691 2.642 ( 0.125 0.130 1.259) 1.272 2.723 ( 2.094 0.264 2.936) 3.616 2.803 ( 0.802 1.084 -3.593) 3.837 2.990 ( -0.072 -2.506 1.943) 3.171 3.024 ( -0.086 -0.730 3.143) 3.228 3.132 ( -1.840 3.523 1.950) 4.427 3.179 ( 2.019 1.040 -2.988) 3.753 3.240 ( 0.956 -4.606 -0.180) 4.708 3.274 ( -0.099 -3.043 0.014) 3.045 3.404 ( 2.629 -1.112 4.344) 5.198 3.470 ( 0.245 0.849 -2.171) 2.344 3.582 ( -1.933 -1.194 2.413) 3.314 3.648 ( -2.759 -1.823 -3.812) 5.047 4.019 ( -1.386 1.945 7.259) 7.642 4.120 ( 0.864 0.714 -8.508) 8.582 4.198 ( 2.020 2.374 -2.152) 3.788 4.236 ( -0.113 4.629 -4.603) 6.529 4.451 ( 2.969 5.890 3.660) 7.544 4.485 ( -0.349 6.936 1.140) 7.038 4.602 ( 2.814 4.327 0.729) 5.213 4.687 ( -4.603 3.550 -1.253) 5.947 4.749 ( 3.772 3.509 -0.416) 5.169 4.807 ( -1.952 4.406 -0.954) 4.913 5.014 ( 1.581 1.941 1.020) 2.703 5.131 ( -1.051 0.863 1.415) 1.962 5.296 ( -1.295 3.655 4.145) 5.676 5.319 ( 0.454 2.771 -1.222) 3.063 5.349 ( 2.332 -0.587 2.648) 3.577 5.421 ( -0.550 2.951 3.972) 4.979 5.430 ( 2.025 -0.529 -2.974) 3.637 5.478 ( 0.972 1.994 -4.392) 4.921 5.733 ( 1.708 -5.421 0.979) 5.767 5.844 ( -4.367 -5.372 -4.953) 8.513 5.911 ( 0.721 -1.127 2.400) 2.748 6.085 ( -2.135 -3.729 0.476) 4.323 6.163 ( -1.155 -0.157 0.500) 1.268 6.271 ( -1.860 -3.452 0.973) 4.040 6.741 ( 0.689 12.357 -1.450) 12.461 6.768 ( 0.758 13.243 -0.650) 13.281 6.953 ( 4.884 8.267 1.603) 9.734 7.021 ( 1.598 8.786 -0.916) 8.977 7.150 ( -4.448 5.906 2.050) 7.672 7.191 ( -4.694 6.704 0.756) 8.219 7.484 ( 2.075 -4.117 -0.670) 4.659 7.495 ( 1.586 -4.065 1.305) 4.554 7.763 ( 4.057 -7.987 -1.731) 9.124 7.775 ( 2.376 -12.581 -2.170) 12.986 8.030 ( -0.737 -13.682 3.039) 14.035 8.061 ( -0.284 -15.776 -1.381) 15.839 8.509 ( -1.051 5.962 2.444) 6.528 8.538 ( -4.378 7.845 -5.118) 10.340 8.686 ( -0.103 -1.206 1.546) 1.963 8.734 ( -1.864 1.157 -2.760) 3.526 9.147 ( 0.010 -3.818 1.580) 4.132 9.177 ( -1.019 -4.377 -1.526) 4.746 9.493 ( 1.375 -11.133 2.735) 11.546 9.593 ( 0.735 -11.799 -0.233) 11.824 10.493 ( 0.319 1.874 0.782) 2.055 10.514 ( 0.999 0.640 1.398) 1.833 10.706 ( 1.650 -0.562 0.214) 1.756 10.739 ( -0.912 -1.091 0.576) 1.534 11.853 ( -1.179 4.812 3.193) 5.894 11.922 ( -0.297 4.860 -5.849) 7.610 12.032 ( 0.099 -2.285 0.355) 2.315 12.088 ( -0.949 -3.331 -3.056) 4.620 12.549 ( 0.103 4.607 1.733) 4.923 12.578 ( 1.080 5.492 -1.313) 5.749 12.846 ( 0.388 5.342 5.442) 7.636 12.911 ( -0.101 5.344 -3.488) 6.382 13.786 ( 0.127 10.796 0.013) 10.797 13.810 ( -0.824 9.456 -1.192) 9.566 14.130 ( 1.026 -1.708 2.353) 3.083 14.154 ( -0.367 -2.746 0.584) 2.831 14.263 ( 0.870 19.914 4.416) 20.417 14.388 ( -0.946 17.242 -8.340) 19.176 14.728 ( -1.154 -2.397 8.206) 8.626 14.773 ( 1.143 -1.916 0.410) 2.268 15.053 ( 0.440 7.760 -0.872) 7.821 15.124 ( 0.329 2.301 -8.008) 8.338 15.599 ( -3.042 1.909 1.677) 3.964 15.674 ( -2.124 2.376 0.285) 3.200 16.105 ( 0.672 -13.542 2.755) 13.836 16.167 ( 1.011 -14.577 -4.565) 15.309 16.290 ( 0.016 -11.897 4.008) 12.554 16.404 ( -0.079 -12.019 -3.852) 12.622 19.866 ( 1.642 4.694 0.896) 5.053 19.954 ( 0.440 4.648 -0.982) 4.771 20.038 ( 4.342 1.142 2.240) 5.017 20.179 ( -1.101 -0.820 -4.354) 4.565 20.245 ( -2.632 6.406 7.553) 10.248 20.342 ( -0.485 7.153 -3.234) 7.865 20.415 ( -2.448 2.261 1.461) 3.639 20.470 ( -1.250 2.234 -6.476) 6.963 20.848 ( 0.452 4.124 -0.022) 4.149 20.904 ( 0.152 3.896 -0.900) 4.001 21.425 ( 0.622 -13.412 3.835) 13.963 21.497 ( -0.889 -13.854 0.746) 13.902 21.985 ( -0.411 0.187 -0.057) 0.455 22.007 ( -0.161 -1.062 -0.919) 1.414 22.227 ( 0.934 -1.075 1.052) 1.770 22.264 ( 1.060 -2.791 0.806) 3.092 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 9.978 0.000) 9.978 1.446 ( 0.000 7.899 0.000) 7.899 1.462 ( 0.000 14.524 0.000) 14.524 1.591 ( 0.000 1.088 0.000) 1.088 1.617 ( 0.000 -1.181 0.000) 1.181 1.675 ( 0.000 2.219 0.000) 2.219 1.687 ( 0.000 -2.058 0.000) 2.058 1.692 ( 0.000 -4.135 0.000) 4.135 1.694 ( 0.000 2.517 0.000) 2.517 1.820 ( 0.000 -7.611 0.000) 7.611 1.949 ( 0.000 -2.288 0.000) 2.288 1.992 ( 0.000 -5.875 0.000) 5.875 2.087 ( 0.000 4.755 0.000) 4.755 2.123 ( 0.000 0.833 0.000) 0.833 2.185 ( 0.000 5.267 0.000) 5.267 2.268 ( 0.000 -1.855 0.000) 1.855 2.477 ( 0.000 3.747 0.000) 3.747 2.564 ( 0.000 -3.195 0.000) 3.195 2.605 ( 0.000 1.244 0.000) 1.244 2.623 ( 0.000 0.494 0.000) 0.494 2.733 ( 0.000 -3.380 0.000) 3.380 2.775 ( 0.000 -5.909 0.000) 5.909 2.810 ( 0.000 -1.353 0.000) 1.353 2.819 ( 0.000 -2.030 0.000) 2.030 3.137 ( 0.000 3.031 0.000) 3.031 3.194 ( 0.000 -3.291 0.000) 3.291 3.238 ( 0.000 5.093 0.000) 5.093 3.255 ( 0.000 14.247 0.000) 14.247 3.367 ( 0.000 -7.927 0.000) 7.927 3.481 ( 0.000 7.641 0.000) 7.641 3.567 ( 0.000 -15.239 0.000) 15.239 3.589 ( 0.000 -2.437 0.000) 2.437 4.242 ( 0.000 1.213 0.000) 1.213 4.262 ( 0.000 4.167 0.000) 4.167 4.274 ( 0.000 -2.840 0.000) 2.840 4.299 ( 0.000 1.658 0.000) 1.658 4.377 ( 0.000 7.693 0.000) 7.693 4.444 ( 0.000 1.950 0.000) 1.950 4.674 ( 0.000 1.798 0.000) 1.798 4.756 ( 0.000 11.296 0.000) 11.296 4.771 ( 0.000 -9.043 0.000) 9.043 4.837 ( 0.000 1.810 0.000) 1.810 4.904 ( 0.000 1.233 0.000) 1.233 5.014 ( 0.000 4.822 0.000) 4.822 5.066 ( 0.000 -10.423 0.000) 10.423 5.097 ( 0.000 -0.916 0.000) 0.916 5.226 ( 0.000 1.903 0.000) 1.903 5.258 ( 0.000 -1.702 0.000) 1.702 5.446 ( 0.000 0.677 0.000) 0.677 5.494 ( 0.000 -4.345 0.000) 4.345 5.589 ( 0.000 7.184 0.000) 7.184 5.662 ( 0.000 0.535 0.000) 0.535 6.249 ( 0.000 1.163 0.000) 1.163 6.264 ( 0.000 -0.262 0.000) 0.262 6.391 ( 0.000 -0.607 0.000) 0.607 6.403 ( 0.000 -1.952 0.000) 1.952 6.956 ( 0.000 15.546 0.000) 15.546 6.979 ( 0.000 5.916 0.000) 5.916 7.085 ( 0.000 -6.294 0.000) 6.294 7.141 ( 0.000 11.699 0.000) 11.699 7.198 ( 0.000 -7.998 0.000) 7.998 7.236 ( 0.000 10.825 0.000) 10.825 7.435 ( 0.000 -9.843 0.000) 9.843 7.467 ( 0.000 -18.887 0.000) 18.887 7.515 ( 0.000 10.014 0.000) 10.014 7.581 ( 0.000 12.324 0.000) 12.324 7.772 ( 0.000 -15.188 0.000) 15.188 7.796 ( 0.000 -9.167 0.000) 9.167 8.422 ( 0.000 4.413 0.000) 4.413 8.466 ( 0.000 -0.696 0.000) 0.696 8.967 ( 0.000 4.376 0.000) 4.376 9.038 ( 0.000 -0.740 0.000) 0.740 9.117 ( 0.000 9.518 0.000) 9.518 9.203 ( 0.000 -2.905 0.000) 2.905 9.267 ( 0.000 -9.195 0.000) 9.195 9.357 ( 0.000 -12.400 0.000) 12.400 10.478 ( 0.000 1.257 0.000) 1.257 10.498 ( 0.000 -0.863 0.000) 0.863 10.684 ( 0.000 1.882 0.000) 1.882 10.723 ( 0.000 -2.195 0.000) 2.195 12.054 ( 0.000 5.063 0.000) 5.063 12.093 ( 0.000 -0.067 0.000) 0.067 12.097 ( 0.000 -0.143 0.000) 0.143 12.116 ( 0.000 -1.989 0.000) 1.989 12.484 ( 0.000 7.654 0.000) 7.654 12.622 ( 0.000 -5.308 0.000) 5.308 12.725 ( 0.000 5.892 0.000) 5.892 12.851 ( 0.000 -6.408 0.000) 6.408 13.991 ( 0.000 2.155 0.000) 2.155 14.007 ( 0.000 9.755 0.000) 9.755 14.014 ( 0.000 -0.540 0.000) 0.540 14.178 ( 0.000 -8.175 0.000) 8.175 14.454 ( 0.000 6.479 0.000) 6.479 14.528 ( 0.000 -1.336 0.000) 1.336 14.540 ( 0.000 13.568 0.000) 13.568 14.727 ( 0.000 -5.319 0.000) 5.319 15.344 ( 0.000 27.684 0.000) 27.684 15.566 ( 0.000 0.955 0.000) 0.955 15.581 ( 0.000 9.320 0.000) 9.320 15.676 ( 0.000 -12.678 0.000) 12.678 15.799 ( 0.000 -11.735 0.000) 11.735 15.908 ( 0.000 -25.122 0.000) 25.122 16.293 ( 0.000 3.652 0.000) 3.652 16.380 ( 0.000 -5.146 0.000) 5.146 19.801 ( 0.000 3.796 0.000) 3.796 19.856 ( 0.000 -2.068 0.000) 2.068 20.289 ( 0.000 8.188 0.000) 8.188 20.337 ( 0.000 5.577 0.000) 5.577 20.386 ( 0.000 3.811 0.000) 3.811 20.406 ( 0.000 -1.735 0.000) 1.735 20.449 ( 0.000 -7.756 0.000) 7.756 20.466 ( 0.000 -4.389 0.000) 4.389 20.958 ( 0.000 0.625 0.000) 0.625 20.962 ( 0.000 -0.251 0.000) 0.251 21.084 ( 0.000 7.959 0.000) 7.959 21.271 ( 0.000 -10.944 0.000) 10.944 22.042 ( 0.000 -0.028 0.000) 0.028 22.045 ( 0.000 -0.349 0.000) 0.349 22.123 ( 0.000 0.003 0.000) 0.003 22.124 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -5.287 9.112 -1.752) 10.679 1.392 ( -1.867 5.650 -3.141) 6.729 1.456 ( 0.186 11.734 0.515) 11.747 1.612 ( 0.189 5.377 -0.191) 5.383 1.624 ( -0.736 0.587 1.343) 1.640 1.660 ( -0.936 0.516 -0.029) 1.069 1.688 ( 0.558 -4.182 0.412) 4.239 1.722 ( 4.031 -2.336 1.875) 5.022 1.745 ( 0.049 1.310 3.692) 3.918 1.855 ( -2.747 -4.735 6.406) 8.427 1.900 ( -0.055 -1.654 -6.962) 7.156 1.940 ( 1.295 -2.778 -4.053) 5.082 2.085 ( -3.467 2.033 -1.884) 4.439 2.106 ( -0.211 -1.046 -0.654) 1.251 2.218 ( -0.896 2.564 4.811) 5.524 2.259 ( -2.738 -0.735 1.330) 3.131 2.472 ( -0.424 4.135 -0.117) 4.158 2.554 ( 0.786 -1.033 -0.870) 1.563 2.581 ( -2.975 1.519 0.093) 3.342 2.626 ( -1.066 -2.670 0.350) 2.896 2.707 ( -1.072 -0.244 -1.342) 1.735 2.784 ( 1.109 -5.492 0.751) 5.653 2.830 ( 1.034 0.217 1.526) 1.856 2.857 ( 0.748 -2.107 3.961) 4.548 3.109 ( 1.931 3.693 -4.355) 6.028 3.175 ( -0.116 -2.374 -2.379) 3.362 3.228 ( 0.320 2.678 -0.636) 2.771 3.277 ( -0.682 5.600 1.197) 5.767 3.309 ( -0.546 -0.249 -2.115) 2.199 3.502 ( -4.179 -7.170 1.578) 8.448 3.569 ( -0.909 1.651 6.573) 6.838 3.623 ( -0.954 -4.224 2.904) 5.214 4.226 ( 3.082 2.184 -5.708) 6.845 4.242 ( 2.500 1.886 -7.526) 8.151 4.299 ( 5.633 5.506 -5.034) 9.348 4.378 ( 1.331 5.813 0.472) 5.982 4.402 ( 6.231 -3.261 3.390) 7.807 4.465 ( 1.973 -1.940 3.036) 4.108 4.604 ( -0.086 5.358 -6.058) 8.089 4.749 ( -0.332 -8.218 -2.172) 8.507 4.795 ( 0.666 7.415 -1.830) 7.666 4.817 ( -0.760 5.806 3.424) 6.783 4.925 ( 2.813 -0.377 0.222) 2.846 5.040 ( 0.014 -4.446 2.719) 5.211 5.134 ( 3.754 0.493 6.602) 7.611 5.166 ( 3.695 -1.184 4.781) 6.158 5.250 ( 0.008 2.344 3.487) 4.201 5.303 ( 0.368 -2.377 4.838) 5.403 5.432 ( 0.599 2.430 -0.773) 2.619 5.503 ( 0.195 -4.327 0.655) 4.381 5.632 ( 1.307 5.514 3.307) 6.561 5.703 ( 1.156 -0.233 4.183) 4.346 6.205 ( -3.745 0.358 -4.630) 5.966 6.223 ( -3.993 -1.451 -4.047) 5.868 6.292 ( -5.945 -0.293 -4.366) 7.382 6.312 ( -6.053 -2.403 -3.216) 7.263 6.944 ( 0.328 11.347 -1.767) 11.488 6.995 ( 1.473 7.976 -1.033) 8.177 7.044 ( 0.523 1.761 -0.026) 1.837 7.132 ( -0.593 5.144 -2.316) 5.672 7.196 ( -1.198 -0.750 1.410) 1.997 7.282 ( 1.990 5.013 3.588) 6.478 7.403 ( -2.148 -5.505 -0.289) 5.917 7.447 ( -2.025 -10.356 0.552) 10.566 7.564 ( 4.650 2.878 -1.763) 5.746 7.627 ( 4.882 5.912 -0.795) 7.708 7.744 ( 0.397 -12.183 -1.422) 12.272 7.832 ( 0.140 -11.528 1.535) 11.631 8.463 ( 0.063 5.028 5.634) 7.552 8.529 ( 2.847 -1.421 4.806) 5.764 8.940 ( -2.563 4.397 -1.535) 5.316 9.019 ( -3.539 -3.146 -2.717) 5.459 9.082 ( 0.023 10.497 -0.690) 10.520 9.196 ( -1.498 -2.289 -0.329) 2.756 9.277 ( 0.304 -8.406 0.537) 8.428 9.324 ( -1.313 -11.519 -1.435) 11.682 10.476 ( -0.617 0.777 0.735) 1.234 10.488 ( -0.234 -0.532 -0.656) 0.876 10.668 ( -1.053 1.960 -0.245) 2.239 10.711 ( -1.156 -2.371 -0.123) 2.641 12.011 ( -1.650 3.926 -3.408) 5.455 12.063 ( -1.129 -2.075 -3.262) 4.028 12.101 ( 0.417 1.708 -0.127) 1.763 12.127 ( 1.587 -1.136 -0.992) 2.189 12.528 ( 2.927 7.096 2.378) 8.036 12.658 ( 2.205 -5.030 2.120) 5.887 12.725 ( -0.301 6.598 0.590) 6.632 12.862 ( -0.212 -6.615 1.873) 6.879 13.992 ( 0.161 5.982 -0.328) 5.993 14.000 ( -0.172 5.670 -0.637) 5.708 14.026 ( 1.032 -0.680 0.526) 1.343 14.147 ( -1.350 -6.808 -2.369) 7.333 14.490 ( 0.219 7.748 4.607) 9.017 14.540 ( -1.242 12.146 1.936) 12.362 14.576 ( 1.154 -1.916 4.829) 5.321 14.711 ( -2.564 -4.458 0.883) 5.218 15.344 ( 3.842 23.614 -4.580) 24.359 15.472 ( 1.180 7.447 -7.855) 10.888 15.634 ( 0.492 -12.434 -4.140) 13.114 15.681 ( -0.345 4.562 6.967) 8.335 15.856 ( -0.600 -11.138 6.606) 12.964 15.898 ( 2.844 -23.096 -3.963) 23.606 16.211 ( -6.012 5.445 -4.379) 9.218 16.340 ( -2.713 -7.290 -2.740) 8.247 19.820 ( 1.894 3.733 0.915) 4.284 19.875 ( 2.107 -2.104 0.504) 3.020 20.211 ( 0.151 5.998 -7.632) 9.708 20.284 ( -2.075 0.705 -3.767) 4.358 20.371 ( -2.786 0.190 0.382) 2.818 20.406 ( -1.021 -0.967 0.810) 1.623 20.465 ( -0.262 4.712 5.483) 7.234 20.569 ( 1.798 -4.902 3.956) 6.551 20.943 ( -0.422 2.101 -1.153) 2.433 20.996 ( 1.665 -3.824 3.122) 5.210 21.070 ( -0.662 7.960 -1.024) 8.053 21.260 ( -1.314 -11.105 0.006) 11.182 22.031 ( -0.737 0.109 -0.712) 1.030 22.036 ( -0.421 -0.416 -0.774) 0.974 22.139 ( 1.147 0.383 1.240) 1.732 22.148 ( 1.619 -0.533 1.208) 2.089 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -4.811 8.215 -1.335) 9.613 1.326 ( -1.297 0.525 -2.731) 3.069 1.478 ( -0.867 8.991 2.284) 9.317 1.595 ( -0.471 4.921 0.159) 4.946 1.608 ( -2.461 -1.155 -1.476) 3.093 1.675 ( 1.977 2.541 1.622) 3.605 1.707 ( 0.571 2.160 0.347) 2.261 1.732 ( -1.308 5.049 -2.035) 5.598 1.808 ( 0.081 1.085 -4.256) 4.393 1.849 ( 4.111 -8.055 4.117) 9.936 1.888 ( -0.120 -4.085 1.122) 4.238 1.950 ( -2.552 -4.993 5.452) 7.822 1.982 ( -5.371 4.738 -2.339) 7.535 2.066 ( -2.354 -3.224 -1.393) 4.228 2.203 ( -1.586 1.882 -2.975) 3.861 2.255 ( -1.596 -2.579 0.173) 3.038 2.462 ( -0.801 5.609 0.131) 5.668 2.543 ( -2.444 3.815 0.384) 4.547 2.571 ( 0.421 -3.408 0.566) 3.480 2.606 ( -1.583 -3.503 0.443) 3.869 2.703 ( 1.645 4.471 1.417) 4.971 2.823 ( 2.034 -3.603 1.087) 4.278 2.866 ( 0.450 0.630 1.701) 1.868 2.932 ( 0.995 -2.629 4.384) 5.207 3.106 ( 3.039 0.545 -1.253) 3.333 3.147 ( 1.139 -3.188 -2.141) 4.005 3.218 ( 0.532 1.807 -0.178) 1.892 3.263 ( 0.597 -2.482 -1.807) 3.128 3.350 ( 1.100 6.235 4.926) 8.021 3.491 ( -2.707 -5.988 4.387) 7.901 3.588 ( -3.407 2.899 -0.081) 4.475 3.635 ( -4.686 -2.689 4.141) 6.807 4.164 ( 3.099 8.189 -7.530) 11.549 4.205 ( 3.405 0.697 -5.388) 6.412 4.244 ( 2.837 0.490 -9.534) 9.959 4.337 ( 1.701 -4.315 -8.608) 9.778 4.499 ( 1.688 6.872 2.941) 7.663 4.567 ( 4.444 0.045 2.414) 5.057 4.607 ( 3.199 4.522 1.221) 5.672 4.721 ( 0.433 -5.640 -1.225) 5.788 4.767 ( -0.070 5.026 0.298) 5.035 4.852 ( 0.112 -1.085 -0.073) 1.093 5.005 ( 3.295 4.133 3.955) 6.601 5.102 ( 0.703 -3.144 3.971) 5.113 5.275 ( 4.955 2.917 2.210) 6.160 5.284 ( 3.406 3.425 6.055) 7.746 5.332 ( 3.177 -0.625 4.140) 5.256 5.368 ( -0.573 -1.484 5.055) 5.299 5.448 ( 0.710 2.014 0.179) 2.143 5.505 ( -1.986 -2.571 0.961) 3.387 5.671 ( 0.334 2.933 -1.202) 3.187 5.778 ( 0.805 -5.035 1.862) 5.429 5.985 ( -8.977 0.903 -6.878) 11.345 6.057 ( -6.779 -4.894 -3.026) 8.892 6.206 ( -3.013 1.147 -0.712) 3.301 6.238 ( -3.029 -2.191 -0.022) 3.738 6.953 ( 4.267 9.637 -0.610) 10.557 7.019 ( 2.345 12.310 1.057) 12.576 7.049 ( -0.698 1.903 -0.550) 2.101 7.139 ( 4.430 6.148 -0.760) 7.616 7.218 ( 1.268 1.809 2.574) 3.392 7.342 ( -0.499 1.300 1.589) 2.112 7.354 ( -5.099 -1.837 1.391) 5.596 7.440 ( 0.482 -8.132 -0.370) 8.154 7.584 ( 4.628 0.111 -4.170) 6.231 7.652 ( 1.895 1.536 -2.948) 3.826 7.739 ( -0.684 -13.744 0.393) 13.766 7.817 ( -2.208 -11.396 -1.754) 11.740 8.556 ( 1.047 5.422 5.898) 8.080 8.630 ( 1.300 -1.601 4.358) 4.821 8.838 ( -7.219 3.634 -3.431) 8.780 8.869 ( -6.254 0.712 -5.729) 8.511 9.108 ( 1.526 3.887 1.139) 4.329 9.181 ( 0.144 1.929 0.029) 1.935 9.255 ( -0.706 -8.186 0.072) 8.217 9.340 ( 1.731 -10.770 0.798) 10.938 10.489 ( 0.645 0.289 1.128) 1.332 10.491 ( 0.390 0.205 1.287) 1.361 10.672 ( 0.583 1.236 1.407) 1.962 10.704 ( -0.428 -1.923 1.117) 2.265 11.943 ( -2.201 3.198 -1.807) 4.282 11.997 ( -2.025 -2.594 -2.505) 4.136 12.079 ( 0.405 1.867 -4.461) 4.853 12.105 ( 0.466 -1.290 -4.458) 4.665 12.604 ( 1.811 6.498 3.333) 7.524 12.713 ( 0.612 1.313 1.321) 1.961 12.749 ( 1.358 1.426 3.014) 3.601 12.886 ( 0.589 -6.630 0.576) 6.681 13.974 ( -0.589 7.156 -1.104) 7.265 13.994 ( -0.116 4.848 -0.632) 4.890 14.051 ( 1.112 -1.968 0.617) 2.343 14.098 ( -0.893 -5.128 -1.803) 5.509 14.547 ( -0.825 13.426 4.284) 14.117 14.589 ( 0.114 5.217 5.617) 7.667 14.655 ( -0.445 -1.027 4.471) 4.608 14.706 ( -0.848 -3.082 3.180) 4.509 15.312 ( 2.299 12.593 -6.274) 14.256 15.403 ( 4.379 17.049 -8.472) 19.535 15.584 ( -0.710 -12.859 -2.645) 13.148 15.735 ( -1.465 1.217 0.978) 2.141 15.880 ( 3.656 -15.762 -2.903) 16.438 15.948 ( -1.281 -7.139 6.323) 9.622 16.064 ( -5.260 3.669 -2.527) 6.893 16.246 ( -3.358 -11.007 -3.909) 12.154 19.877 ( 3.233 3.084 1.780) 4.809 19.923 ( 3.047 -1.687 0.938) 3.607 20.127 ( 0.873 5.319 -5.338) 7.586 20.208 ( 0.052 -2.638 -4.841) 5.513 20.348 ( -4.599 4.278 3.847) 7.366 20.407 ( -2.659 -1.178 3.312) 4.408 20.497 ( -2.113 5.134 1.412) 5.728 20.579 ( -0.422 -2.761 -3.980) 4.862 20.937 ( 0.600 5.531 0.648) 5.601 21.043 ( -0.282 7.196 -1.251) 7.309 21.087 ( 1.918 -8.530 4.988) 10.066 21.244 ( -1.020 -11.658 0.198) 11.704 22.007 ( -0.833 0.355 -0.806) 1.212 22.015 ( -0.571 -0.447 -1.042) 1.269 22.181 ( 1.625 0.280 1.631) 2.319 22.193 ( 1.783 -0.932 1.442) 2.475 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -1.655 8.003 -0.222) 8.175 1.291 ( -0.388 -2.842 -0.759) 2.967 1.485 ( -1.042 6.279 1.492) 6.538 1.543 ( -1.244 0.371 -2.408) 2.735 1.612 ( -0.050 6.769 0.008) 6.769 1.682 ( 0.582 1.844 0.337) 1.963 1.722 ( 0.740 0.240 0.773) 1.097 1.740 ( 2.626 3.636 -1.425) 4.706 1.766 ( -0.002 2.451 -0.287) 2.468 1.839 ( -5.975 1.991 -2.494) 6.774 1.913 ( 2.040 -2.803 0.452) 3.496 1.936 ( -0.058 -6.650 1.244) 6.766 2.006 ( -3.536 -0.217 5.922) 6.901 2.048 ( 0.912 -2.178 0.990) 2.560 2.138 ( -0.543 0.301 -2.675) 2.746 2.204 ( -1.025 -4.629 -3.537) 5.915 2.461 ( 0.175 5.957 0.232) 5.964 2.517 ( -1.449 5.391 -0.070) 5.583 2.568 ( -0.327 -3.840 -0.193) 3.859 2.602 ( -0.432 -2.829 0.538) 2.911 2.777 ( 2.162 3.834 3.423) 5.576 2.840 ( 0.474 3.893 -1.949) 4.379 2.898 ( 0.290 -5.410 2.070) 5.799 2.973 ( -0.037 -5.259 0.486) 5.281 3.145 ( 0.820 -1.211 1.641) 2.198 3.153 ( 1.728 -1.992 -0.528) 2.689 3.240 ( 1.653 1.725 0.292) 2.407 3.260 ( 0.166 0.496 -0.124) 0.537 3.423 ( 1.013 3.761 2.515) 4.637 3.519 ( -3.451 0.776 -0.341) 3.553 3.531 ( 0.120 -1.793 2.413) 3.008 3.595 ( -3.156 -2.783 -0.159) 4.211 4.117 ( -0.312 6.270 -2.832) 6.887 4.158 ( 2.222 3.776 -4.314) 6.149 4.200 ( 1.515 -2.174 -2.665) 3.758 4.252 ( 0.664 -3.295 -4.460) 5.584 4.568 ( 1.009 5.305 2.917) 6.137 4.609 ( 0.628 3.700 -0.454) 3.780 4.668 ( 3.000 2.609 0.978) 4.094 4.728 ( -0.137 -0.077 0.228) 0.277 4.791 ( 2.453 1.191 0.296) 2.743 4.835 ( -1.760 -2.046 -0.675) 2.781 5.078 ( 1.198 4.398 1.556) 4.816 5.139 ( -0.278 -0.733 1.222) 1.451 5.356 ( 2.398 3.964 2.219) 5.136 5.375 ( 1.930 2.296 -1.546) 3.375 5.392 ( -0.798 3.674 3.155) 4.908 5.421 ( -1.263 0.107 1.423) 1.906 5.459 ( 2.152 -0.196 1.819) 2.825 5.484 ( -0.679 -1.649 -0.189) 1.794 5.613 ( -0.378 -3.993 -3.033) 5.028 5.672 ( -5.631 -8.156 -4.818) 11.020 5.947 ( 0.614 2.496 2.650) 3.692 6.007 ( -0.928 -3.634 1.156) 3.925 6.171 ( -1.239 0.989 -0.005) 1.585 6.207 ( -1.513 -2.694 0.289) 3.103 7.004 ( 0.853 11.773 -0.268) 11.807 7.055 ( 2.983 11.563 0.146) 11.942 7.100 ( 4.296 6.518 3.426) 8.525 7.186 ( 2.536 5.028 -0.641) 5.667 7.250 ( -1.336 5.040 -0.745) 5.267 7.283 ( -5.111 2.405 0.001) 5.649 7.362 ( 1.415 -4.222 2.396) 5.056 7.434 ( -0.583 -5.236 -0.787) 5.327 7.591 ( 1.463 -3.472 -0.934) 3.881 7.632 ( 2.275 -3.210 -3.328) 5.153 7.727 ( -1.241 -15.037 0.043) 15.088 7.743 ( -2.931 -13.553 -1.678) 13.967 8.629 ( 0.328 4.649 2.724) 5.398 8.676 ( -0.424 -0.563 2.056) 2.173 8.690 ( -4.141 5.750 -3.055) 7.716 8.747 ( -2.392 -0.593 -2.805) 3.733 9.138 ( 0.770 3.544 0.595) 3.675 9.182 ( -0.042 5.509 -0.131) 5.511 9.282 ( 0.886 -9.879 1.811) 10.083 9.362 ( 0.700 -11.266 -0.294) 11.291 10.518 ( 1.056 0.665 0.666) 1.415 10.523 ( 0.412 0.182 1.578) 1.641 10.704 ( 0.875 0.446 0.918) 1.344 10.719 ( -0.041 -0.933 0.937) 1.322 11.911 ( -1.622 1.901 1.369) 2.849 11.943 ( -1.223 -1.230 -2.039) 2.677 12.022 ( 0.368 0.649 -2.724) 2.824 12.041 ( -0.142 -1.446 -3.913) 4.174 12.668 ( 0.173 7.066 3.853) 8.050 12.712 ( 0.569 7.024 -2.256) 7.400 12.823 ( 0.393 -4.869 4.814) 6.858 12.879 ( 0.482 -6.151 -2.863) 6.802 13.957 ( -0.316 6.241 -0.377) 6.261 13.979 ( -0.271 6.679 -0.611) 6.713 14.060 ( -0.155 -4.290 -0.122) 4.294 14.085 ( 0.450 -3.949 -0.153) 3.977 14.598 ( 0.015 10.322 3.204) 10.808 14.632 ( -0.475 6.295 1.112) 6.410 14.709 ( -0.700 -0.138 4.962) 5.013 14.742 ( 0.721 -1.985 0.018) 2.112 15.277 ( 1.052 13.852 -0.938) 13.923 15.333 ( 1.438 19.170 -7.710) 20.713 15.574 ( -0.374 -10.664 3.349) 11.184 15.670 ( -0.703 -8.710 -6.107) 10.661 15.907 ( 0.366 -3.049 1.285) 3.329 15.958 ( -0.536 2.064 -0.631) 2.224 16.057 ( -0.916 -10.626 4.721) 11.663 16.157 ( -1.161 -12.411 -3.771) 13.023 19.938 ( 1.781 2.590 1.002) 3.299 19.974 ( 1.427 -1.101 0.835) 1.987 20.098 ( 1.615 3.555 -1.322) 4.123 20.152 ( -0.214 -1.932 -3.302) 3.832 20.360 ( -2.675 4.692 5.948) 8.035 20.421 ( -2.419 -1.324 3.470) 4.433 20.453 ( -0.972 3.744 -3.974) 5.546 20.494 ( -0.324 -0.257 -4.756) 4.774 20.965 ( 0.561 7.956 1.303) 8.082 21.023 ( -0.012 8.235 -1.006) 8.297 21.167 ( 0.920 -11.859 2.935) 12.252 21.233 ( -0.376 -12.286 -0.471) 12.301 21.991 ( -0.322 0.333 -0.234) 0.519 21.997 ( -0.289 -0.246 -0.586) 0.698 22.216 ( 0.748 -0.036 0.751) 1.061 22.227 ( 0.758 -1.125 0.628) 1.495 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -14.790 0.000 21.498) 26.094 0.429 ( -2.704 0.000 20.503) 20.680 0.862 ( -9.752 0.000 43.041) 44.131 1.077 ( 2.086 0.000 14.192) 14.345 1.272 ( -0.712 0.000 -7.271) 7.306 1.326 ( -5.434 0.000 10.035) 11.412 1.427 ( 1.484 0.000 -12.349) 12.438 1.461 ( -0.569 0.000 2.528) 2.591 1.639 ( -1.565 0.000 10.178) 10.298 1.730 ( 0.831 0.000 4.080) 4.163 1.831 ( -0.535 0.000 -1.094) 1.217 1.841 ( -0.822 0.000 -2.486) 2.618 1.894 ( 1.641 0.000 0.502) 1.716 2.088 ( -1.443 0.000 3.391) 3.685 2.156 ( -1.481 0.000 -13.564) 13.644 2.178 ( -1.828 0.000 2.227) 2.881 2.226 ( 1.779 0.000 -3.462) 3.892 2.356 ( 0.891 0.000 -5.511) 5.583 2.414 ( 2.775 0.000 -3.472) 4.445 2.626 ( 2.330 0.000 -6.380) 6.792 2.815 ( 0.429 0.000 -3.772) 3.797 2.924 ( -0.851 0.000 -8.088) 8.133 3.002 ( 1.493 0.000 9.794) 9.907 3.095 ( -1.505 0.000 10.292) 10.401 3.212 ( -1.993 0.000 4.630) 5.040 3.365 ( 0.309 0.000 0.363) 0.476 3.375 ( 0.038 0.000 -0.538) 0.539 3.406 ( 0.069 0.000 1.790) 1.792 3.433 ( 0.975 0.000 -0.035) 0.975 3.482 ( -0.131 0.000 -0.841) 0.851 3.688 ( -0.409 0.000 2.788) 2.818 3.703 ( 0.525 0.000 1.633) 1.715 3.855 ( 0.379 0.000 5.033) 5.048 3.875 ( -1.392 0.000 1.831) 2.300 4.022 ( -0.510 0.000 -5.254) 5.279 4.152 ( -0.320 0.000 -2.012) 2.038 4.208 ( 0.703 0.000 -9.257) 9.283 4.346 ( 0.157 0.000 -2.031) 2.037 4.384 ( 0.782 0.000 -12.426) 12.450 4.385 ( -1.302 0.000 -1.979) 2.369 4.621 ( -4.955 0.000 5.894) 7.700 4.717 ( 0.646 0.000 10.292) 10.313 4.752 ( -1.421 0.000 9.124) 9.234 4.907 ( -3.554 0.000 12.489) 12.985 4.928 ( 1.999 0.000 4.380) 4.815 4.974 ( -1.104 0.000 3.650) 3.813 5.270 ( 1.003 0.000 -3.692) 3.826 5.364 ( -0.139 0.000 -7.331) 7.332 5.470 ( 1.112 0.000 -5.003) 5.125 5.775 ( -0.017 0.000 0.205) 0.206 5.804 ( 0.861 0.000 -4.562) 4.642 5.854 ( 0.808 0.000 -9.798) 9.832 6.126 ( 1.840 0.000 7.926) 8.137 6.142 ( -1.477 0.000 5.075) 5.285 6.351 ( 0.219 0.000 -1.392) 1.409 6.450 ( 2.194 0.000 1.912) 2.910 6.471 ( 2.099 0.000 -2.499) 3.264 6.486 ( -1.624 0.000 -0.233) 1.641 6.585 ( -2.657 0.000 5.215) 5.853 7.056 ( 0.474 0.000 -1.721) 1.785 7.099 ( 1.305 0.000 -1.128) 1.725 7.216 ( 0.407 0.000 -5.459) 5.475 7.365 ( -0.149 0.000 -6.672) 6.673 7.519 ( -2.088 0.000 -7.117) 7.417 7.657 ( 1.480 0.000 6.524) 6.690 7.846 ( 1.016 0.000 -4.237) 4.357 8.219 ( 0.342 0.000 6.833) 6.841 8.447 ( -0.146 0.000 2.034) 2.039 8.511 ( -1.328 0.000 0.174) 1.339 8.752 ( -1.734 0.000 8.912) 9.079 8.876 ( 0.603 0.000 -4.375) 4.416 9.143 ( -0.849 0.000 10.206) 10.241 9.370 ( 1.317 0.000 -6.678) 6.807 9.840 ( 0.013 0.000 -4.929) 4.929 9.848 ( 0.037 0.000 2.445) 2.445 10.210 ( 1.293 0.000 -6.582) 6.708 10.406 ( -1.357 0.000 -1.655) 2.140 10.482 ( -0.827 0.000 5.512) 5.574 10.523 ( 3.607 0.000 -6.484) 7.420 10.786 ( 0.053 0.000 0.936) 0.938 11.188 ( -0.741 0.000 -2.643) 2.745 11.207 ( 1.265 0.000 -8.126) 8.224 11.815 ( 2.505 0.000 8.310) 8.680 12.129 ( -3.172 0.000 -1.507) 3.512 12.239 ( 2.514 0.000 2.320) 3.421 12.292 ( 2.248 0.000 3.080) 3.813 12.371 ( -2.294 0.000 -0.164) 2.300 12.555 ( -2.455 0.000 -4.024) 4.713 13.501 ( 0.363 0.000 0.342) 0.499 13.574 ( -1.356 0.000 0.303) 1.390 13.599 ( 0.612 0.000 -1.177) 1.327 13.623 ( 0.725 0.000 -0.267) 0.772 14.034 ( -0.941 0.000 2.241) 2.430 14.397 ( 0.936 0.000 -8.086) 8.140 14.589 ( -0.287 0.000 8.485) 8.489 14.888 ( 1.238 0.000 4.447) 4.616 14.900 ( -1.302 0.000 2.682) 2.981 15.301 ( -0.018 0.000 -10.686) 10.686 15.942 ( 0.063 0.000 5.399) 5.399 16.147 ( -0.070 0.000 -1.183) 1.185 16.468 ( 0.179 0.000 1.255) 1.267 16.508 ( -0.568 0.000 2.318) 2.386 16.663 ( 0.554 0.000 0.340) 0.650 16.972 ( -0.121 0.000 -4.997) 4.999 19.403 ( 0.524 0.000 2.895) 2.942 19.516 ( 0.584 0.000 1.997) 2.081 19.701 ( 0.572 0.000 -5.353) 5.384 19.759 ( -1.271 0.000 -6.031) 6.163 20.091 ( -1.214 0.000 9.334) 9.413 20.166 ( -1.012 0.000 5.022) 5.123 20.415 ( 0.728 0.000 -2.264) 2.378 20.656 ( -0.777 0.000 1.682) 1.853 20.681 ( 1.182 0.000 -7.433) 7.526 20.843 ( 0.695 0.000 -2.790) 2.875 22.040 ( -1.368 0.000 0.263) 1.393 22.074 ( -1.448 0.000 1.126) 1.834 22.080 ( 1.645 0.000 -1.529) 2.246 22.125 ( 1.664 0.000 0.125) 1.668 22.245 ( 0.812 0.000 6.322) 6.374 22.552 ( -1.124 0.000 -2.370) 2.623 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -18.282 0.000 25.013) 30.982 0.688 ( 1.101 0.000 17.952) 17.986 1.130 ( 0.003 0.000 -8.794) 8.794 1.237 ( -1.355 0.000 -6.798) 6.932 1.267 ( -13.186 0.000 15.251) 20.161 1.329 ( 1.574 0.000 8.207) 8.357 1.335 ( -7.159 0.000 18.180) 19.539 1.433 ( -6.286 0.000 4.564) 7.769 1.723 ( -6.868 0.000 -1.711) 7.078 1.816 ( 1.455 0.000 -0.379) 1.504 1.838 ( 6.828 0.000 14.329) 15.872 1.903 ( 3.200 0.000 1.233) 3.430 1.914 ( -3.960 0.000 -11.136) 11.819 1.952 ( 4.076 0.000 6.300) 7.504 2.126 ( 2.069 0.000 1.847) 2.773 2.221 ( 3.716 0.000 -5.450) 6.596 2.225 ( 2.964 0.000 2.951) 4.183 2.268 ( 1.193 0.000 -8.632) 8.714 2.360 ( -1.695 0.000 -1.958) 2.590 2.530 ( 5.419 0.000 -17.655) 18.468 2.770 ( 1.086 0.000 -4.106) 4.248 2.832 ( 1.651 0.000 -3.783) 4.128 3.126 ( -2.988 0.000 8.218) 8.745 3.200 ( -5.876 0.000 2.448) 6.366 3.238 ( -0.806 0.000 9.002) 9.038 3.375 ( 1.630 0.000 -0.055) 1.631 3.386 ( -0.238 0.000 1.678) 1.695 3.416 ( -0.350 0.000 1.179) 1.230 3.461 ( 2.715 0.000 0.243) 2.725 3.479 ( 0.383 0.000 -0.339) 0.511 3.722 ( 0.352 0.000 1.994) 2.025 3.742 ( 1.249 0.000 2.034) 2.387 3.904 ( -0.640 0.000 3.532) 3.590 3.945 ( 0.700 0.000 6.124) 6.164 3.945 ( -0.569 0.000 -0.938) 1.097 4.080 ( -1.762 0.000 -7.196) 7.409 4.107 ( -0.494 0.000 -4.148) 4.177 4.252 ( 6.607 0.000 -12.818) 14.421 4.342 ( 2.004 0.000 -0.952) 2.218 4.346 ( 1.388 0.000 -3.382) 3.656 4.677 ( -4.488 0.000 11.068) 11.943 4.865 ( -1.177 0.000 9.677) 9.748 4.868 ( 2.141 0.000 7.298) 7.605 4.952 ( -2.748 0.000 4.079) 4.919 5.021 ( -2.986 0.000 4.102) 5.074 5.075 ( 5.851 0.000 0.504) 5.873 5.235 ( -2.503 0.000 -5.728) 6.251 5.249 ( 2.446 0.000 -2.264) 3.333 5.421 ( -0.083 0.000 -2.674) 2.675 5.696 ( -0.276 0.000 -11.078) 11.081 5.757 ( -1.907 0.000 -0.893) 2.105 5.770 ( 0.107 0.000 -1.864) 1.867 6.077 ( -14.656 0.000 6.277) 15.943 6.250 ( 1.521 0.000 2.687) 3.087 6.335 ( -4.789 0.000 0.480) 4.813 6.419 ( 0.383 0.000 -2.045) 2.080 6.429 ( -1.608 0.000 -2.829) 3.254 6.499 ( 1.897 0.000 -0.172) 1.905 6.609 ( -4.832 0.000 7.010) 8.514 6.924 ( -9.097 0.000 -5.335) 10.546 7.104 ( -3.894 0.000 5.332) 6.602 7.199 ( -0.513 0.000 1.080) 1.196 7.309 ( 4.468 0.000 -6.406) 7.810 7.353 ( -0.119 0.000 -8.236) 8.237 7.832 ( 11.777 0.000 0.973) 11.817 7.917 ( 14.863 0.000 -3.673) 15.310 8.329 ( 1.320 0.000 7.285) 7.403 8.454 ( -1.165 0.000 0.567) 1.296 8.601 ( 7.397 0.000 -3.156) 8.042 8.788 ( -2.519 0.000 -6.029) 6.534 8.859 ( -2.938 0.000 10.592) 10.992 9.258 ( -1.398 0.000 -9.600) 9.701 9.315 ( 1.599 0.000 12.564) 12.665 9.693 ( -5.163 0.000 -9.243) 10.587 9.925 ( 4.072 0.000 4.620) 6.158 10.142 ( 2.769 0.000 -5.746) 6.378 10.377 ( 1.511 0.000 -2.269) 2.726 10.516 ( 4.852 0.000 -2.692) 5.548 10.555 ( -1.895 0.000 8.475) 8.684 10.796 ( 3.120 0.000 -4.492) 5.469 11.112 ( -3.290 0.000 -4.090) 5.249 11.139 ( 1.131 0.000 -3.834) 3.997 11.844 ( -12.518 0.000 8.265) 15.000 11.851 ( -24.000 0.000 1.527) 24.048 12.321 ( -2.707 0.000 -1.618) 3.154 12.389 ( 4.941 0.000 2.530) 5.551 12.408 ( 9.753 0.000 6.014) 11.458 12.488 ( 0.699 0.000 -6.091) 6.131 13.516 ( 0.059 0.000 1.462) 1.463 13.528 ( -3.159 0.000 -0.904) 3.285 13.592 ( -0.274 0.000 -0.347) 0.442 13.622 ( 0.034 0.000 -0.904) 0.905 14.126 ( 6.307 0.000 0.632) 6.339 14.299 ( 1.114 0.000 -6.778) 6.869 14.775 ( 5.957 0.000 11.455) 12.911 14.907 ( -2.329 0.000 1.844) 2.971 14.973 ( 2.898 0.000 3.589) 4.613 15.178 ( 5.532 0.000 -12.311) 13.497 15.866 ( -16.548 0.000 11.723) 20.280 16.063 ( -7.894 0.000 -3.543) 8.653 16.507 ( 1.851 0.000 2.684) 3.260 16.537 ( 0.501 0.000 1.157) 1.261 16.755 ( 6.752 0.000 -0.802) 6.800 16.888 ( 0.261 0.000 -7.196) 7.201 19.486 ( 3.635 0.000 4.933) 6.128 19.589 ( 4.407 0.000 3.902) 5.887 19.619 ( 0.015 0.000 -3.937) 3.937 19.763 ( 10.521 0.000 -11.476) 15.569 20.179 ( -6.149 0.000 5.048) 7.956 20.199 ( -2.286 0.000 9.236) 9.515 20.343 ( -4.721 0.000 -2.898) 5.540 20.583 ( 0.892 0.000 -10.859) 10.895 20.692 ( 1.683 0.000 2.385) 2.919 20.823 ( 2.430 0.000 -3.195) 4.015 21.988 ( -7.966 0.000 1.459) 8.098 22.036 ( -2.596 0.000 0.736) 2.698 22.080 ( -1.595 0.000 -0.657) 1.725 22.124 ( -0.334 0.000 0.137) 0.361 22.376 ( 3.825 0.000 7.624) 8.530 22.458 ( -4.553 0.000 -0.236) 4.559 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -16.501 0.000 27.996) 32.497 0.903 ( 0.770 0.000 8.710) 8.744 0.990 ( -0.869 0.000 -10.885) 10.920 1.083 ( -13.975 0.000 0.847) 14.001 1.085 ( -2.677 0.000 -5.430) 6.054 1.367 ( -11.532 0.000 8.111) 14.099 1.417 ( -2.791 0.000 0.359) 2.814 1.597 ( -1.348 0.000 -2.204) 2.583 1.610 ( 0.011 0.000 14.861) 14.861 1.771 ( -2.454 0.000 -7.619) 8.004 1.798 ( -2.496 0.000 0.006) 2.496 1.868 ( -2.261 0.000 -2.961) 3.725 2.105 ( 4.613 0.000 3.726) 5.930 2.166 ( 4.853 0.000 -5.278) 7.170 2.180 ( 4.379 0.000 13.927) 14.599 2.198 ( 2.867 0.000 6.276) 6.900 2.231 ( 3.020 0.000 -4.418) 5.352 2.294 ( 1.857 0.000 -0.554) 1.938 2.317 ( 4.337 0.000 -11.510) 12.300 2.400 ( 4.155 0.000 -4.915) 6.436 2.759 ( 1.963 0.000 0.764) 2.106 2.842 ( 4.171 0.000 -1.973) 4.614 3.079 ( -7.911 0.000 -3.356) 8.594 3.134 ( -7.352 0.000 4.876) 8.822 3.305 ( -0.646 0.000 2.127) 2.223 3.385 ( 0.340 0.000 -1.307) 1.350 3.415 ( 0.019 0.000 1.326) 1.326 3.442 ( 0.290 0.000 1.291) 1.323 3.475 ( 0.837 0.000 -0.912) 1.237 3.511 ( 3.017 0.000 0.301) 3.032 3.747 ( 1.091 0.000 -0.296) 1.130 3.780 ( 1.394 0.000 -0.032) 1.394 3.887 ( -3.298 0.000 2.628) 4.216 3.960 ( -1.120 0.000 -3.031) 3.232 4.027 ( -0.115 0.000 -2.472) 2.474 4.046 ( 0.353 0.000 3.025) 3.045 4.105 ( 7.937 0.000 8.630) 11.725 4.225 ( 10.086 0.000 -8.963) 13.493 4.332 ( 1.180 0.000 -2.160) 2.461 4.386 ( 3.210 0.000 2.176) 3.878 4.769 ( -5.269 0.000 10.752) 11.974 4.882 ( -7.976 0.000 -6.129) 10.059 4.903 ( -4.389 0.000 0.979) 4.497 4.965 ( -3.742 0.000 4.223) 5.642 4.998 ( 2.642 0.000 3.277) 4.209 5.140 ( 4.819 0.000 -0.561) 4.852 5.185 ( 0.085 0.000 1.029) 1.033 5.271 ( 1.616 0.000 0.254) 1.636 5.413 ( -2.295 0.000 3.347) 4.058 5.588 ( 5.228 0.000 -8.886) 10.310 5.682 ( -6.737 0.000 -1.367) 6.874 5.756 ( -0.231 0.000 -0.365) 0.432 5.942 ( -11.948 0.000 2.994) 12.317 6.166 ( -6.270 0.000 -4.728) 7.853 6.266 ( -4.930 0.000 3.207) 5.881 6.360 ( -4.027 0.000 -3.977) 5.660 6.480 ( 6.932 0.000 -1.311) 7.055 6.560 ( 6.940 0.000 0.227) 6.944 6.579 ( -7.852 0.000 2.958) 8.391 6.750 ( -6.480 0.000 -2.588) 6.978 7.101 ( -6.231 0.000 3.236) 7.021 7.154 ( -4.549 0.000 -1.786) 4.887 7.326 ( 5.354 0.000 -0.286) 5.361 7.346 ( 6.514 0.000 -0.991) 6.589 8.045 ( 14.817 0.000 2.069) 14.961 8.109 ( 16.274 0.000 -2.706) 16.497 8.424 ( -0.209 0.000 2.329) 2.339 8.427 ( -0.335 0.000 -3.239) 3.256 8.601 ( -2.885 0.000 -0.177) 2.890 8.704 ( 0.171 0.000 0.828) 0.845 8.938 ( -5.723 0.000 9.794) 11.343 9.079 ( -3.760 0.000 -10.145) 10.819 9.471 ( -1.008 0.000 8.192) 8.254 9.524 ( -1.322 0.000 -7.130) 7.251 10.059 ( 4.221 0.000 3.931) 5.768 10.132 ( 5.018 0.000 -4.549) 6.773 10.393 ( 3.357 0.000 -0.881) 3.471 10.558 ( 2.633 0.000 -1.031) 2.827 10.664 ( -0.030 0.000 9.857) 9.857 10.772 ( 7.583 0.000 -7.751) 10.844 10.990 ( -6.549 0.000 -3.374) 7.367 11.123 ( -0.503 0.000 -0.142) 0.523 11.557 ( -16.294 0.000 -1.706) 16.383 11.729 ( -14.593 0.000 3.928) 15.113 12.270 ( -1.674 0.000 -0.603) 1.779 12.420 ( 0.315 0.000 -4.195) 4.207 12.470 ( 3.338 0.000 0.630) 3.397 12.600 ( 5.584 0.000 4.293) 7.044 13.477 ( -2.211 0.000 -0.568) 2.283 13.534 ( -0.638 0.000 1.130) 1.298 13.585 ( -0.224 0.000 0.016) 0.225 13.605 ( 0.120 0.000 -0.956) 0.964 14.207 ( 2.746 0.000 1.984) 3.388 14.262 ( 2.574 0.000 -2.574) 3.641 14.883 ( -1.763 0.000 -0.849) 1.957 14.983 ( 3.124 0.000 3.696) 4.839 15.113 ( 8.600 0.000 8.893) 12.371 15.127 ( 9.031 0.000 -10.724) 14.020 15.808 ( -12.830 0.000 9.526) 15.980 15.822 ( -13.176 0.000 -8.931) 15.918 16.545 ( 0.641 0.000 -1.145) 1.312 16.585 ( 2.345 0.000 2.935) 3.757 16.802 ( 0.677 0.000 -4.881) 4.928 16.830 ( 2.461 0.000 2.606) 3.584 19.590 ( 2.406 0.000 -3.205) 4.007 19.604 ( 3.344 0.000 3.330) 4.720 19.738 ( 7.433 0.000 -10.018) 12.474 19.771 ( 8.751 0.000 8.893) 12.477 20.147 ( -5.878 0.000 3.252) 6.717 20.235 ( -3.903 0.000 -2.683) 4.736 20.282 ( -5.266 0.000 11.219) 12.393 20.400 ( -3.771 0.000 -11.872) 12.456 20.755 ( 1.809 0.000 2.554) 3.129 20.822 ( 3.022 0.000 -2.613) 3.995 21.892 ( -7.626 0.000 1.466) 7.766 22.005 ( -5.308 0.000 -1.467) 5.507 22.019 ( -1.029 0.000 0.435) 1.117 22.142 ( 1.922 0.000 -0.417) 1.966 22.409 ( -1.021 0.000 -2.172) 2.400 22.514 ( 3.004 0.000 3.446) 4.572 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -22.029 0.000 15.775) 27.095 0.885 ( -1.899 0.000 9.908) 10.089 0.912 ( -3.298 0.000 -6.320) 7.129 0.983 ( 2.901 0.000 -4.524) 5.374 1.031 ( -0.529 0.000 3.804) 3.841 1.315 ( -9.265 0.000 5.587) 10.819 1.379 ( -0.621 0.000 -3.882) 3.931 1.552 ( 1.482 0.000 -6.470) 6.637 1.654 ( -8.398 0.000 -1.176) 8.480 1.658 ( 5.176 0.000 -3.625) 6.319 1.815 ( -0.702 0.000 4.302) 4.359 1.852 ( 0.835 0.000 4.430) 4.508 2.144 ( -1.336 0.000 -5.155) 5.325 2.169 ( 5.557 0.000 -10.498) 11.878 2.190 ( -4.126 0.000 -2.712) 4.938 2.219 ( 5.929 0.000 -5.197) 7.885 2.252 ( -1.815 0.000 0.621) 1.918 2.266 ( 3.749 0.000 -0.165) 3.753 2.403 ( -2.042 0.000 8.360) 8.606 2.468 ( 5.065 0.000 2.461) 5.631 2.845 ( 0.785 0.000 6.121) 6.171 2.890 ( 4.659 0.000 -0.173) 4.662 2.964 ( -0.918 0.000 -0.360) 0.986 3.083 ( -7.203 0.000 3.484) 8.001 3.299 ( -1.114 0.000 -0.745) 1.340 3.366 ( 0.921 0.000 -2.928) 3.069 3.400 ( -0.377 0.000 -1.861) 1.899 3.438 ( -0.769 0.000 -1.402) 1.599 3.472 ( 0.598 0.000 -1.646) 1.752 3.528 ( 1.032 0.000 -2.243) 2.469 3.731 ( 0.277 0.000 -3.717) 3.727 3.763 ( 0.639 0.000 -4.483) 4.528 3.878 ( -2.554 0.000 1.726) 3.083 3.938 ( 1.163 0.000 -0.259) 1.191 4.008 ( 1.207 0.000 -0.357) 1.258 4.058 ( -1.110 0.000 -0.376) 1.172 4.258 ( -5.260 0.000 -2.352) 5.762 4.271 ( 8.551 0.000 -5.015) 9.913 4.387 ( 5.503 0.000 9.145) 10.673 4.476 ( 1.383 0.000 4.964) 5.153 4.731 ( -2.299 0.000 -0.803) 2.435 4.778 ( -5.006 0.000 3.247) 5.967 4.813 ( -1.847 0.000 -5.283) 5.596 4.947 ( -5.900 0.000 3.430) 6.825 5.083 ( -0.556 0.000 8.298) 8.317 5.219 ( 2.834 0.000 3.432) 4.451 5.223 ( -0.978 0.000 -0.115) 0.985 5.296 ( 0.216 0.000 1.193) 1.212 5.425 ( -2.356 0.000 4.312) 4.914 5.596 ( -5.601 0.000 5.319) 7.724 5.609 ( 8.080 0.000 -2.130) 8.356 5.757 ( 0.394 0.000 0.778) 0.872 5.844 ( -4.227 0.000 -0.659) 4.278 6.039 ( 0.735 0.000 -7.986) 8.019 6.261 ( -4.365 0.000 3.045) 5.322 6.280 ( 0.908 0.000 -0.186) 0.927 6.481 ( -1.462 0.000 0.826) 1.679 6.575 ( 1.351 0.000 -0.366) 1.399 6.640 ( 3.845 0.000 -2.474) 4.572 6.671 ( -1.832 0.000 0.126) 1.836 7.018 ( -4.396 0.000 -2.673) 5.145 7.069 ( -0.831 0.000 -3.950) 4.037 7.437 ( 1.484 0.000 7.570) 7.714 7.453 ( 3.137 0.000 5.633) 6.448 8.183 ( 2.717 0.000 -6.939) 7.452 8.203 ( 5.681 0.000 -9.780) 11.311 8.446 ( 9.715 0.000 2.095) 9.939 8.452 ( 4.142 0.000 5.172) 6.626 8.548 ( -7.365 0.000 3.916) 8.342 8.750 ( -6.906 0.000 0.477) 6.923 8.965 ( -8.028 0.000 9.015) 12.072 8.991 ( 6.621 0.000 2.633) 7.125 9.466 ( 3.890 0.000 -4.231) 5.748 9.491 ( -5.159 0.000 1.033) 5.261 10.099 ( -0.426 0.000 -2.082) 2.126 10.145 ( 4.674 0.000 -4.064) 6.194 10.407 ( 0.832 0.000 -2.996) 3.109 10.522 ( 0.211 0.000 -6.299) 6.303 10.787 ( -8.843 0.000 6.914) 11.225 10.846 ( 11.873 0.000 -2.411) 12.115 10.881 ( 1.135 0.000 3.265) 3.457 11.103 ( -2.114 0.000 -0.075) 2.115 11.378 ( -3.961 0.000 -2.887) 4.901 11.564 ( -8.139 0.000 -3.181) 8.738 12.269 ( -0.142 0.000 2.479) 2.483 12.401 ( 2.356 0.000 -0.832) 2.499 12.497 ( 0.991 0.000 -1.183) 1.544 12.660 ( -0.792 0.000 -0.585) 0.985 13.458 ( -0.454 0.000 0.605) 0.756 13.521 ( -0.656 0.000 -1.034) 1.224 13.587 ( -0.044 0.000 0.465) 0.467 13.615 ( 0.389 0.000 1.285) 1.342 14.265 ( -0.017 0.000 3.977) 3.977 14.293 ( 1.826 0.000 2.013) 2.718 14.847 ( 0.357 0.000 -2.433) 2.459 14.998 ( -0.048 0.000 -3.180) 3.180 15.124 ( 9.835 0.000 -10.188) 14.160 15.261 ( -5.494 0.000 -4.583) 7.154 15.605 ( 4.029 0.000 0.015) 4.029 15.746 ( -11.212 0.000 6.088) 12.759 16.529 ( 0.757 0.000 -2.429) 2.544 16.586 ( -0.524 0.000 -4.171) 4.204 16.838 ( 2.336 0.000 5.985) 6.425 16.896 ( -0.507 0.000 4.954) 4.980 19.585 ( 3.235 0.000 -3.806) 4.996 19.642 ( -0.627 0.000 -1.492) 1.619 19.738 ( 7.756 0.000 -4.848) 9.146 19.911 ( -5.169 0.000 -0.624) 5.206 20.106 ( -4.176 0.000 1.199) 4.345 20.173 ( 0.189 0.000 -4.201) 4.205 20.343 ( 8.055 0.000 9.576) 12.514 20.366 ( -7.581 0.000 14.941) 16.755 20.798 ( -0.715 0.000 2.245) 2.356 20.843 ( 2.941 0.000 -0.373) 2.964 21.817 ( -4.402 0.000 -0.225) 4.408 21.917 ( -1.025 0.000 -4.122) 4.247 22.016 ( -0.563 0.000 0.672) 0.876 22.152 ( 1.048 0.000 -1.438) 1.779 22.357 ( 0.802 0.000 -5.239) 5.301 22.516 ( -0.605 0.000 -5.909) 5.940 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -21.018 0.000 11.208) 23.820 0.676 ( -10.734 0.000 -9.445) 14.298 1.009 ( 10.325 0.000 -3.649) 10.951 1.052 ( -6.381 0.000 7.285) 9.685 1.109 ( 2.729 0.000 -11.090) 11.421 1.238 ( -6.824 0.000 4.458) 8.151 1.293 ( 4.981 0.000 4.296) 6.578 1.499 ( -10.476 0.000 2.819) 10.849 1.592 ( 4.415 0.000 1.087) 4.546 1.758 ( 8.189 0.000 1.498) 8.325 1.866 ( 1.451 0.000 2.850) 3.198 1.904 ( -2.898 0.000 -3.445) 4.502 1.923 ( -5.518 0.000 -5.838) 8.033 2.096 ( -6.918 0.000 -3.417) 7.716 2.137 ( 9.450 0.000 -9.508) 13.405 2.210 ( -5.873 0.000 1.226) 6.000 2.227 ( 5.214 0.000 -2.957) 5.994 2.361 ( 2.348 0.000 5.425) 5.911 2.388 ( -6.362 0.000 1.496) 6.536 2.580 ( 7.784 0.000 -0.108) 7.785 2.898 ( -2.852 0.000 4.648) 5.453 2.946 ( 1.085 0.000 0.831) 1.367 3.032 ( -4.643 0.000 1.623) 4.919 3.040 ( 5.106 0.000 2.446) 5.662 3.243 ( -4.305 0.000 -2.686) 5.074 3.334 ( 1.086 0.000 -3.228) 3.405 3.374 ( 0.728 0.000 -2.015) 2.143 3.396 ( -0.627 0.000 -2.293) 2.377 3.459 ( 0.680 0.000 -0.731) 0.998 3.497 ( -0.361 0.000 -2.443) 2.470 3.668 ( 0.254 0.000 -4.875) 4.882 3.704 ( 1.182 0.000 -5.021) 5.158 3.868 ( -0.452 0.000 -0.240) 0.512 3.928 ( -0.931 0.000 -3.683) 3.798 4.003 ( -3.174 0.000 0.185) 3.179 4.065 ( 2.054 0.000 3.207) 3.808 4.156 ( -2.674 0.000 0.973) 2.846 4.308 ( 5.454 0.000 -4.302) 6.947 4.493 ( -3.017 0.000 6.052) 6.763 4.536 ( -3.048 0.000 5.346) 6.154 4.650 ( -4.620 0.000 -1.519) 4.863 4.743 ( 2.232 0.000 -4.949) 5.429 4.908 ( -5.614 0.000 2.599) 6.186 4.927 ( 6.703 0.000 9.364) 11.516 5.053 ( -9.534 0.000 -0.528) 9.549 5.239 ( -4.641 0.000 -0.208) 4.646 5.267 ( -0.945 0.000 9.162) 9.210 5.301 ( 0.033 0.000 -0.309) 0.311 5.465 ( -2.100 0.000 4.274) 4.761 5.643 ( 1.275 0.000 3.209) 3.453 5.725 ( 4.804 0.000 2.241) 5.301 5.790 ( -1.227 0.000 -2.485) 2.772 5.791 ( 1.129 0.000 2.614) 2.847 6.017 ( 11.523 0.000 -6.466) 13.214 6.236 ( -2.773 0.000 4.179) 5.015 6.365 ( 4.463 0.000 2.257) 5.001 6.520 ( 0.150 0.000 1.285) 1.294 6.541 ( -1.064 0.000 -1.567) 1.895 6.604 ( -2.461 0.000 -1.075) 2.686 6.683 ( 4.925 0.000 -2.851) 5.691 6.952 ( 1.333 0.000 -2.617) 2.937 7.029 ( 3.162 0.000 -4.800) 5.747 7.531 ( -3.959 0.000 7.990) 8.917 7.570 ( -0.939 0.000 8.668) 8.719 8.031 ( -4.993 0.000 -8.910) 10.213 8.114 ( 1.880 0.000 -7.835) 8.057 8.510 ( -6.523 0.000 5.599) 8.596 8.531 ( -13.583 0.000 0.524) 13.593 8.641 ( 9.616 0.000 0.672) 9.640 8.662 ( 8.005 0.000 2.139) 8.285 8.996 ( -6.828 0.000 13.813) 15.409 9.202 ( 7.564 0.000 6.927) 10.256 9.368 ( -8.383 0.000 -3.506) 9.086 9.526 ( 9.212 0.000 -0.219) 9.214 10.021 ( -4.017 0.000 -3.163) 5.113 10.158 ( 3.374 0.000 -1.743) 3.798 10.338 ( 1.082 0.000 -8.132) 8.204 10.430 ( 3.495 0.000 -9.844) 10.446 10.653 ( -13.352 0.000 3.607) 13.831 11.004 ( 4.254 0.000 4.715) 6.350 11.041 ( 4.995 0.000 6.421) 8.135 11.082 ( 5.115 0.000 -2.510) 5.698 11.333 ( 3.813 0.000 -6.012) 7.119 11.439 ( 1.119 0.000 -7.526) 7.609 12.319 ( 0.080 0.000 4.126) 4.127 12.466 ( -1.802 0.000 -2.621) 3.181 12.466 ( 4.409 0.000 2.842) 5.246 12.575 ( -5.681 0.000 -4.340) 7.149 13.479 ( 1.134 0.000 1.562) 1.930 13.502 ( -0.168 0.000 -0.723) 0.743 13.596 ( 0.029 0.000 0.906) 0.906 13.631 ( -0.127 0.000 0.511) 0.527 14.324 ( -1.762 0.000 6.991) 7.210 14.354 ( 0.363 0.000 4.075) 4.092 14.833 ( 1.670 0.000 -1.761) 2.427 14.887 ( -5.944 0.000 -7.572) 9.626 15.016 ( -5.332 0.000 -8.982) 10.445 15.111 ( 10.305 0.000 -13.533) 17.010 15.654 ( -10.593 0.000 3.450) 11.140 15.807 ( 11.882 0.000 4.457) 12.690 16.505 ( 0.513 0.000 -2.344) 2.399 16.517 ( -1.020 0.000 -3.395) 3.545 16.950 ( -2.219 0.000 5.923) 6.325 16.956 ( 0.959 0.000 6.359) 6.430 19.555 ( -4.270 0.000 -4.593) 6.271 19.587 ( 3.680 0.000 -2.602) 4.507 19.739 ( -8.800 0.000 -4.168) 9.737 19.820 ( 9.784 0.000 -2.086) 10.004 20.060 ( -3.259 0.000 -0.200) 3.265 20.190 ( 5.595 0.000 -0.644) 5.632 20.486 ( -9.398 0.000 20.801) 22.825 20.647 ( 5.312 0.000 13.516) 14.523 20.796 ( -4.465 0.000 3.417) 5.622 20.890 ( 0.969 0.000 2.335) 2.528 21.738 ( -0.751 0.000 -7.578) 7.615 21.889 ( 7.212 0.000 -5.317) 8.960 22.020 ( -0.326 0.000 0.808) 0.871 22.133 ( 0.155 0.000 -2.433) 2.438 22.294 ( 2.027 0.000 -6.674) 6.975 22.371 ( -2.353 0.000 -10.259) 10.526 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( -13.880 0.000 -3.277) 14.262 0.444 ( -17.621 0.000 12.459) 21.581 0.786 ( -24.584 0.000 -1.667) 24.641 0.939 ( 1.874 0.000 -11.519) 11.670 1.144 ( 12.613 0.000 -1.616) 12.716 1.325 ( -2.843 0.000 9.291) 9.716 1.433 ( -7.246 0.000 2.913) 7.810 1.499 ( 5.294 0.000 8.240) 9.794 1.627 ( 2.991 0.000 -4.705) 5.575 1.678 ( -8.239 0.000 -4.652) 9.461 1.846 ( 1.347 0.000 1.333) 1.895 1.902 ( -0.597 0.000 -1.591) 1.699 1.945 ( -6.870 0.000 -1.194) 6.973 2.014 ( 10.794 0.000 6.256) 12.476 2.135 ( -7.475 0.000 1.986) 7.735 2.163 ( 11.054 0.000 -8.374) 13.868 2.293 ( 5.373 0.000 0.132) 5.375 2.306 ( -7.360 0.000 1.055) 7.435 2.451 ( 0.044 0.000 4.146) 4.146 2.666 ( 8.637 0.000 -4.978) 9.969 2.891 ( -2.426 0.000 0.269) 2.441 2.919 ( -5.570 0.000 1.053) 5.669 3.004 ( 0.022 0.000 -0.980) 0.981 3.115 ( -3.177 0.000 -1.644) 3.578 3.131 ( -1.817 0.000 2.522) 3.109 3.332 ( 1.926 0.000 -0.131) 1.930 3.362 ( 1.247 0.000 -1.879) 2.255 3.379 ( 0.693 0.000 -0.284) 0.749 3.454 ( -0.828 0.000 -2.659) 2.785 3.479 ( 0.989 0.000 1.375) 1.694 3.632 ( 1.622 0.000 -2.263) 2.784 3.672 ( 1.468 0.000 -2.340) 2.762 3.854 ( -2.089 0.000 -2.538) 3.287 3.857 ( -0.285 0.000 0.288) 0.405 3.987 ( -0.498 0.000 1.848) 1.914 4.174 ( 0.673 0.000 1.314) 1.476 4.186 ( 5.563 0.000 5.496) 7.820 4.312 ( 4.421 0.000 -5.334) 6.928 4.474 ( -5.711 0.000 1.209) 5.837 4.541 ( -3.326 0.000 2.260) 4.021 4.645 ( -0.622 0.000 5.008) 5.047 4.740 ( 2.198 0.000 -0.431) 2.240 4.830 ( -7.246 0.000 -1.125) 7.333 4.910 ( -10.348 0.000 4.725) 11.376 5.104 ( -2.138 0.000 8.238) 8.511 5.120 ( -7.397 0.000 -2.325) 7.754 5.305 ( 1.068 0.000 -0.329) 1.117 5.316 ( -5.371 0.000 2.797) 6.056 5.476 ( 2.915 0.000 -2.917) 4.124 5.684 ( 1.399 0.000 -0.844) 1.634 5.740 ( 0.054 0.000 -1.623) 1.624 5.775 ( 3.688 0.000 -1.200) 3.878 5.858 ( 1.920 0.000 2.791) 3.388 6.103 ( 7.277 0.000 -5.451) 9.092 6.320 ( 1.436 0.000 7.462) 7.599 6.381 ( -0.300 0.000 -1.289) 1.324 6.445 ( -2.714 0.000 -3.615) 4.520 6.554 ( -3.113 0.000 -1.092) 3.299 6.561 ( -1.648 0.000 1.861) 2.486 6.801 ( 15.487 0.000 -1.738) 15.584 6.978 ( 4.033 0.000 -0.182) 4.037 7.026 ( 5.760 0.000 -4.645) 7.399 7.536 ( -6.140 0.000 3.615) 7.126 7.643 ( -4.474 0.000 6.649) 8.014 7.843 ( -6.471 0.000 -5.365) 8.406 8.065 ( 0.429 0.000 -2.432) 2.469 8.296 ( -14.981 0.000 -2.010) 15.115 8.513 ( -2.398 0.000 3.408) 4.167 8.693 ( 0.034 0.000 -0.750) 0.751 8.813 ( 6.981 0.000 1.509) 7.142 9.123 ( -4.363 0.000 3.221) 5.423 9.304 ( -1.495 0.000 20.077) 20.133 9.345 ( 5.463 0.000 1.077) 5.568 9.698 ( 11.168 0.000 1.612) 11.284 9.937 ( -6.004 0.000 2.833) 6.639 10.203 ( 3.677 0.000 0.360) 3.695 10.216 ( 2.617 0.000 -15.733) 15.949 10.393 ( 8.353 0.000 -6.409) 10.528 10.538 ( -9.233 0.000 2.935) 9.688 10.980 ( -7.433 0.000 0.764) 7.472 11.157 ( 3.147 0.000 1.236) 3.381 11.256 ( 7.336 0.000 5.762) 9.328 11.264 ( 2.472 0.000 -11.243) 11.511 11.398 ( 13.045 0.000 -11.108) 17.134 12.368 ( -0.515 0.000 3.193) 3.234 12.376 ( -5.315 0.000 -3.313) 6.263 12.412 ( -6.966 0.000 -4.435) 8.258 12.577 ( 3.449 0.000 3.998) 5.280 13.496 ( 0.182 0.000 -0.332) 0.378 13.521 ( 1.911 0.000 1.016) 2.165 13.610 ( -0.351 0.000 1.255) 1.303 13.626 ( -0.104 0.000 -0.708) 0.716 14.400 ( 0.648 0.000 1.532) 1.663 14.428 ( -1.540 0.000 12.818) 12.910 14.709 ( -7.307 0.000 -2.278) 7.654 14.845 ( 1.560 0.000 0.044) 1.561 14.878 ( -1.808 0.000 -5.324) 5.622 15.020 ( 7.898 0.000 -19.707) 21.230 15.549 ( -8.938 0.000 1.836) 9.124 16.002 ( 9.664 0.000 1.345) 9.757 16.473 ( -0.769 0.000 -1.197) 1.422 16.485 ( 0.115 0.000 -1.026) 1.033 16.995 ( -2.005 0.000 4.989) 5.377 17.022 ( -0.285 0.000 2.615) 2.630 19.442 ( -3.810 0.000 -2.468) 4.539 19.592 ( -6.060 0.000 -1.831) 6.331 19.621 ( 3.988 0.000 -0.665) 4.043 19.941 ( 9.574 0.000 -0.702) 9.600 20.011 ( -2.847 0.000 -0.254) 2.859 20.281 ( 7.608 0.000 -0.477) 7.623 20.649 ( -4.705 0.000 12.624) 13.472 20.812 ( 1.114 0.000 5.302) 5.418 20.833 ( -11.332 0.000 27.559) 29.798 20.889 ( -3.710 0.000 -0.558) 3.751 21.511 ( 1.617 0.000 -31.286) 31.328 21.984 ( 11.371 0.000 -1.607) 11.484 22.031 ( -0.141 0.000 1.403) 1.410 22.100 ( 0.422 0.000 -2.509) 2.544 22.216 ( -2.675 0.000 -6.141) 6.699 22.247 ( 1.238 0.000 -3.161) 3.395 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -12.891 0.000 15.217) 19.944 0.364 ( -17.666 0.000 16.183) 23.958 0.576 ( -25.754 0.000 30.480) 39.904 0.912 ( 2.826 0.000 3.052) 4.160 1.273 ( 1.176 0.000 3.531) 3.722 1.360 ( -3.147 0.000 -1.610) 3.535 1.383 ( 2.125 0.000 3.668) 4.239 1.556 ( 1.606 0.000 -9.576) 9.710 1.580 ( -5.682 0.000 5.012) 7.576 1.642 ( 2.818 0.000 4.952) 5.698 1.865 ( 0.033 0.000 -0.111) 0.116 1.873 ( -1.294 0.000 -0.160) 1.304 1.888 ( -1.720 0.000 -0.237) 1.736 2.077 ( -5.445 0.000 4.314) 6.946 2.183 ( 7.904 0.000 -4.794) 9.244 2.218 ( -6.563 0.000 1.200) 6.672 2.276 ( 11.063 0.000 0.389) 11.070 2.335 ( 0.969 0.000 -0.761) 1.232 2.440 ( 0.662 0.000 -6.008) 6.044 2.684 ( 0.627 0.000 -2.870) 2.937 2.856 ( -1.305 0.000 -1.276) 1.825 2.882 ( -0.256 0.000 3.033) 3.043 2.999 ( 0.550 0.000 -1.850) 1.930 3.040 ( -4.977 0.000 3.724) 6.216 3.170 ( -0.151 0.000 2.394) 2.399 3.366 ( 1.710 0.000 0.378) 1.751 3.374 ( 0.495 0.000 1.795) 1.862 3.382 ( 0.702 0.000 -1.675) 1.816 3.422 ( -0.494 0.000 0.754) 0.901 3.496 ( 0.334 0.000 -0.966) 1.022 3.652 ( 1.189 0.000 2.261) 2.555 3.679 ( 0.990 0.000 0.444) 1.085 3.817 ( -1.290 0.000 1.119) 1.707 3.869 ( -0.668 0.000 1.665) 1.794 4.013 ( 2.244 0.000 0.481) 2.295 4.188 ( 0.243 0.000 -0.796) 0.832 4.286 ( 4.326 0.000 -7.537) 8.690 4.333 ( 4.162 0.000 2.676) 4.948 4.423 ( -3.960 0.000 2.003) 4.438 4.502 ( -1.945 0.000 -2.479) 3.151 4.670 ( -1.659 0.000 2.459) 2.966 4.681 ( -7.786 0.000 -0.071) 7.786 4.813 ( 5.013 0.000 1.944) 5.377 4.849 ( -12.138 0.000 -0.150) 12.139 5.010 ( -6.911 0.000 1.607) 7.096 5.015 ( -16.382 0.000 -20.217) 26.021 5.303 ( 0.097 0.000 -1.649) 1.652 5.307 ( 7.556 0.000 14.436) 16.294 5.509 ( 2.675 0.000 -0.175) 2.680 5.732 ( 5.246 0.000 15.469) 16.334 5.761 ( 2.049 0.000 5.045) 5.446 5.829 ( 7.618 0.000 -4.911) 9.064 5.890 ( 2.382 0.000 -1.787) 2.977 6.076 ( -3.741 0.000 1.341) 3.975 6.372 ( -0.349 0.000 -3.074) 3.094 6.392 ( 3.898 0.000 -0.997) 4.024 6.429 ( 2.090 0.000 6.048) 6.399 6.494 ( -1.519 0.000 -1.851) 2.395 6.540 ( -5.002 0.000 1.643) 5.265 6.999 ( 15.052 0.000 -3.615) 15.480 7.037 ( 2.805 0.000 1.275) 3.081 7.097 ( 7.097 0.000 4.906) 8.628 7.467 ( -4.261 0.000 -2.476) 4.928 7.569 ( -5.058 0.000 -6.159) 7.969 7.765 ( -5.425 0.000 3.838) 6.646 7.980 ( -10.301 0.000 -2.031) 10.499 8.155 ( -1.842 0.000 2.195) 2.866 8.505 ( 0.027 0.000 -2.661) 2.662 8.689 ( -2.206 0.000 3.827) 4.417 8.887 ( 3.822 0.000 -1.798) 4.224 9.072 ( -3.915 0.000 2.433) 4.609 9.319 ( -18.058 0.000 -61.583) 64.176 9.399 ( 3.894 0.000 -2.966) 4.895 9.831 ( 6.522 0.000 -1.220) 6.635 9.872 ( -7.189 0.000 -3.540) 8.014 10.239 ( 4.110 0.000 -3.616) 5.474 10.248 ( 11.363 0.000 31.922) 33.884 10.465 ( -5.192 0.000 1.228) 5.336 10.489 ( 9.512 0.000 -1.408) 9.616 10.853 ( -8.122 0.000 -1.719) 8.302 11.183 ( 4.700 0.000 4.131) 6.257 11.291 ( 1.216 0.000 -5.447) 5.582 11.344 ( 11.695 0.000 41.312) 42.936 11.587 ( 16.312 0.000 2.326) 16.477 12.257 ( -4.650 0.000 -0.957) 4.747 12.293 ( -4.645 0.000 -1.047) 4.762 12.388 ( -1.453 0.000 1.736) 2.263 12.644 ( 0.122 0.000 0.712) 0.722 13.496 ( 0.400 0.000 -0.311) 0.507 13.551 ( 1.769 0.000 -0.438) 1.822 13.614 ( -1.089 0.000 0.610) 1.248 13.618 ( 0.498 0.000 -0.616) 0.793 14.414 ( -9.795 0.000 -28.331) 29.976 14.425 ( 3.238 0.000 -1.584) 3.604 14.598 ( -7.335 0.000 0.505) 7.352 14.834 ( -0.322 0.000 1.481) 1.515 14.879 ( -0.378 0.000 1.800) 1.840 15.102 ( 17.779 0.000 43.572) 47.060 15.450 ( -5.002 0.000 -1.489) 5.219 16.116 ( 5.591 0.000 -0.427) 5.607 16.459 ( -0.403 0.000 0.323) 0.516 16.486 ( -0.115 0.000 1.243) 1.248 16.973 ( -4.080 0.000 -10.315) 11.092 17.022 ( -0.544 0.000 -1.472) 1.569 19.389 ( -1.887 0.000 0.579) 1.974 19.517 ( -2.865 0.000 0.157) 2.870 19.669 ( 2.490 0.000 0.566) 2.554 19.988 ( -1.879 0.000 2.569) 3.183 20.067 ( 6.299 0.000 2.018) 6.615 20.378 ( 6.928 0.000 -1.197) 7.031 20.612 ( -13.230 0.000 -35.952) 38.309 20.713 ( -18.382 0.000 -32.169) 37.051 20.786 ( -4.299 0.000 -4.333) 6.104 20.858 ( 1.097 0.000 -0.645) 1.273 21.539 ( 21.438 0.000 67.457) 70.781 22.047 ( -0.732 0.000 1.472) 1.644 22.084 ( 2.247 0.000 -2.007) 3.013 22.097 ( 5.101 0.000 -3.159) 6.000 22.162 ( -0.405 0.000 4.063) 4.084 22.271 ( 1.716 0.000 8.968) 9.130 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -10.953 12.240 17.393) 23.923 0.645 ( -6.947 13.730 18.091) 23.750 1.097 ( -3.952 19.756 23.066) 30.626 1.172 ( 0.206 7.745 9.289) 12.096 1.336 ( -4.419 1.257 7.290) 8.617 1.433 ( 3.207 1.121 -7.219) 7.979 1.444 ( -0.919 12.424 -4.574) 13.271 1.527 ( -0.798 5.366 1.547) 5.641 1.684 ( -2.175 2.237 3.784) 4.905 1.744 ( 0.480 1.633 3.785) 4.150 1.848 ( -0.134 2.477 -0.565) 2.544 1.859 ( 1.214 -1.761 -1.036) 2.376 1.905 ( 1.437 5.450 -1.085) 5.739 1.980 ( -1.314 -5.283 1.722) 5.709 2.111 ( -1.914 2.102 3.941) 4.860 2.284 ( -0.337 1.250 -5.774) 5.917 2.351 ( 0.022 0.839 -6.210) 6.266 2.420 ( 1.258 7.074 -11.769) 13.789 2.462 ( 1.358 4.930 -3.795) 6.368 2.619 ( 1.798 -0.423 -4.271) 4.653 2.776 ( 0.190 -3.455 -5.746) 6.708 2.957 ( -0.112 -0.357 -13.309) 13.314 3.013 ( -0.054 1.147 8.743) 8.819 3.120 ( -0.659 -0.969 5.462) 5.586 3.199 ( -1.439 2.685 5.319) 6.130 3.289 ( -0.555 -6.719 0.219) 6.745 3.347 ( 0.850 -5.839 2.549) 6.427 3.398 ( 0.306 -2.076 -3.712) 4.264 3.423 ( 0.657 -1.666 1.023) 2.063 3.476 ( -0.198 -2.906 -1.142) 3.129 3.642 ( 0.016 1.358 -2.787) 3.100 3.782 ( 0.289 3.049 -1.477) 3.400 3.907 ( 0.045 3.843 6.043) 7.162 3.916 ( -1.146 5.295 1.538) 5.632 4.022 ( -0.726 2.021 -4.516) 5.001 4.152 ( -0.178 0.256 -0.281) 0.420 4.269 ( 0.297 4.295 -9.473) 10.406 4.320 ( -0.499 2.833 3.726) 4.708 4.420 ( 0.171 3.576 -11.545) 12.088 4.484 ( -2.495 -2.899 1.105) 3.981 4.585 ( -0.323 6.264 1.213) 6.389 4.737 ( -1.379 -0.283 11.759) 11.843 4.772 ( -0.003 4.476 11.078) 11.948 4.921 ( -5.007 3.184 11.187) 12.664 4.991 ( 0.695 4.839 4.302) 6.512 5.095 ( -0.133 7.164 2.522) 7.596 5.242 ( 0.841 -2.295 -5.684) 6.187 5.366 ( 0.054 1.469 -3.653) 3.938 5.452 ( 0.632 -1.319 -2.188) 2.632 5.715 ( -0.344 -10.804 -4.266) 11.620 5.771 ( 0.143 -0.372 -0.053) 0.403 5.919 ( 1.162 8.745 -6.446) 10.926 5.976 ( -2.862 -21.977 26.816) 34.789 6.201 ( -0.982 3.191 1.457) 3.643 6.224 ( 0.445 3.134 6.938) 7.626 6.374 ( 0.860 2.073 -1.056) 2.480 6.457 ( 1.697 0.850 2.545) 3.175 6.472 ( 2.217 -0.160 -2.964) 3.705 6.604 ( -1.876 4.348 4.371) 6.444 7.069 ( 0.716 1.286 -3.181) 3.505 7.138 ( 1.729 -0.642 -1.215) 2.209 7.235 ( 0.972 1.949 -4.033) 4.583 7.325 ( -1.269 -3.967 0.595) 4.208 7.426 ( 0.244 5.181 -7.313) 8.966 7.605 ( 0.191 -5.070 5.299) 7.336 7.860 ( 0.847 1.179 -5.055) 5.259 8.189 ( 0.352 -2.969 6.844) 7.469 8.426 ( 0.162 -2.529 0.590) 2.602 8.481 ( -1.201 -2.835 2.489) 3.959 8.753 ( -1.454 0.428 5.513) 5.717 8.826 ( 0.207 -4.018 -1.476) 4.285 9.107 ( 1.159 -20.177 -3.231) 20.467 9.159 ( -0.565 0.869 6.738) 6.818 9.747 ( 1.964 -6.756 -3.104) 7.690 9.769 ( -1.737 -5.094 -2.542) 5.952 10.045 ( 1.245 -10.559 -4.300) 11.469 10.422 ( -2.614 2.552 9.973) 10.621 10.439 ( -1.033 2.524 -1.073) 2.931 10.530 ( 4.446 0.746 -6.232) 7.692 11.019 ( 0.486 -8.515 -5.666) 10.240 11.224 ( 0.199 13.634 -0.742) 13.655 11.477 ( -0.649 27.506 -11.879) 29.969 11.971 ( 1.219 16.870 11.051) 20.204 12.232 ( 1.596 -1.114 2.231) 2.961 12.257 ( 1.893 -2.858 2.520) 4.255 12.344 ( -2.072 -2.191 0.071) 3.017 12.556 ( -2.716 0.168 -3.558) 4.479 12.698 ( 1.198 19.098 -22.483) 29.524 13.530 ( -0.684 0.932 1.609) 1.981 13.596 ( 0.780 3.006 0.021) 3.106 13.664 ( -1.392 8.156 0.867) 8.319 13.971 ( 2.287 19.802 -13.262) 23.942 14.033 ( -1.812 -0.021 2.064) 2.747 14.392 ( 0.512 -0.572 -8.444) 8.479 14.596 ( -0.128 0.861 7.495) 7.545 14.815 ( 0.724 -5.882 5.506) 8.089 14.893 ( -0.765 -1.570 2.292) 2.882 15.325 ( 0.102 1.509 -10.574) 10.681 15.979 ( 0.408 2.804 -5.334) 6.040 16.065 ( -0.237 -7.581 -1.129) 7.668 16.394 ( -0.129 -6.867 1.899) 7.126 16.454 ( -0.322 -5.489 3.123) 6.323 16.641 ( 0.486 -2.548 -1.321) 2.911 16.881 ( -0.224 -8.682 -4.698) 9.874 19.455 ( 0.400 5.027 2.877) 5.806 19.683 ( -0.224 9.531 -3.679) 10.219 19.757 ( -0.684 5.266 -5.550) 7.681 19.980 ( 0.501 15.261 -15.412) 21.695 20.102 ( -0.752 2.717 5.345) 6.043 20.201 ( -0.815 3.397 5.313) 6.359 20.434 ( 0.285 1.317 -1.104) 1.741 20.668 ( 0.861 -1.252 -7.150) 7.310 20.697 ( -0.470 4.034 0.332) 4.075 20.847 ( 0.684 0.486 -2.707) 2.834 21.949 ( 0.404 -26.429 21.260) 33.921 22.006 ( -0.050 -10.250 5.599) 11.679 22.071 ( -4.001 -0.581 1.448) 4.294 22.091 ( 1.433 -1.694 1.745) 2.823 22.124 ( 1.340 -0.114 0.042) 1.345 22.196 ( 1.268 -5.608 4.744) 7.454 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -15.110 10.757 20.533) 27.670 0.839 ( -1.008 11.425 17.012) 20.517 1.201 ( -2.584 7.045 -4.962) 8.996 1.256 ( -7.714 0.879 9.418) 12.205 1.326 ( -0.435 6.873 -9.116) 11.425 1.433 ( -2.891 8.449 9.429) 12.986 1.453 ( -7.526 10.431 10.456) 16.576 1.467 ( -3.755 2.387 3.104) 5.425 1.741 ( -0.703 -3.877 -2.711) 4.783 1.790 ( -0.558 2.133 3.268) 3.943 1.860 ( 5.209 0.383 0.300) 5.232 1.883 ( 2.590 3.173 4.232) 5.889 1.952 ( 1.323 5.258 4.590) 7.104 2.039 ( 1.358 2.924 4.263) 5.345 2.150 ( 2.488 1.456 0.126) 2.885 2.160 ( 0.286 1.044 -3.497) 3.661 2.302 ( 0.634 0.518 -5.338) 5.400 2.327 ( 0.637 3.749 -1.935) 4.267 2.390 ( -0.318 5.861 -5.691) 8.176 2.532 ( 4.698 0.520 -15.674) 16.371 2.736 ( 1.948 -3.168 -1.724) 4.099 2.822 ( 1.034 -1.128 -6.309) 6.492 3.108 ( -3.662 -1.232 8.111) 8.984 3.169 ( -4.442 -2.552 4.256) 6.660 3.248 ( -1.731 -1.347 1.497) 2.656 3.290 ( -0.432 -3.628 3.755) 5.239 3.371 ( 0.268 -3.494 1.210) 3.708 3.390 ( 0.175 -4.121 1.182) 4.291 3.447 ( 2.798 -2.152 -0.442) 3.557 3.469 ( 1.433 -1.674 -1.384) 2.602 3.630 ( -0.325 -2.655 1.418) 3.027 3.749 ( 0.748 -2.044 -4.626) 5.112 3.940 ( -0.680 4.081 2.563) 4.867 3.966 ( 0.271 3.540 -0.042) 3.551 4.008 ( 1.014 4.266 6.727) 8.030 4.129 ( -2.238 3.784 -5.421) 6.980 4.160 ( 1.811 4.622 -1.547) 5.199 4.257 ( 0.261 2.319 -9.174) 9.466 4.395 ( 3.865 6.159 -0.711) 7.307 4.464 ( 0.835 5.997 -2.181) 6.436 4.656 ( 0.167 -0.413 9.067) 9.078 4.843 ( -3.749 0.241 9.718) 10.419 4.910 ( -3.120 2.674 8.051) 9.039 4.994 ( -0.554 2.300 1.996) 3.095 5.058 ( -1.004 4.430 7.035) 8.374 5.128 ( 4.868 3.527 -3.981) 7.210 5.239 ( 0.800 2.409 0.008) 2.538 5.278 ( 0.082 1.525 -3.211) 3.555 5.424 ( -0.681 0.584 -2.086) 2.271 5.616 ( -1.299 -6.785 -6.649) 9.588 5.761 ( -1.582 0.761 0.332) 1.787 5.858 ( 0.699 6.518 -5.291) 8.424 6.059 ( -11.841 -2.995 8.987) 15.164 6.252 ( -2.210 -4.813 3.066) 6.119 6.317 ( -1.881 2.969 0.754) 3.595 6.356 ( 3.417 -2.448 -0.522) 4.236 6.477 ( 1.369 2.281 -1.006) 2.844 6.517 ( 4.090 2.389 0.193) 4.741 6.623 ( -4.123 2.313 4.487) 6.518 6.905 ( -9.818 -1.656 -6.283) 11.773 7.136 ( -3.900 2.929 2.384) 5.429 7.191 ( -6.674 -1.247 1.386) 6.929 7.279 ( 5.434 1.422 -2.094) 5.994 7.417 ( 7.071 4.283 -8.395) 11.783 7.746 ( 9.689 -6.593 3.691) 12.287 7.897 ( 13.718 -2.480 -6.017) 15.183 8.296 ( 1.070 -3.298 6.852) 7.679 8.419 ( -0.346 -3.679 -0.731) 3.766 8.552 ( 1.720 -3.387 2.928) 4.796 8.752 ( -3.926 -2.885 -3.745) 6.145 8.822 ( -1.004 -2.828 4.530) 5.434 9.053 ( -1.009 -16.088 -4.872) 16.840 9.290 ( 0.786 -2.434 10.846) 11.143 9.622 ( -5.375 -6.589 -8.037) 11.700 9.792 ( 2.818 -8.653 3.497) 9.749 10.002 ( 2.953 -10.637 -4.791) 12.035 10.396 ( 0.916 1.714 -2.690) 3.319 10.461 ( -1.623 0.779 3.428) 3.872 10.631 ( 6.680 -0.959 4.123) 7.908 10.917 ( -0.730 -4.247 -8.554) 9.578 11.233 ( 0.937 17.250 0.709) 17.290 11.326 ( -1.628 25.834 -7.368) 26.914 12.033 ( -9.666 16.295 8.808) 20.894 12.226 ( -13.224 15.989 -7.400) 22.029 12.291 ( -3.193 0.366 -1.095) 3.395 12.342 ( 4.589 -3.271 1.829) 5.925 12.425 ( 4.664 2.843 2.116) 5.857 12.529 ( 1.781 5.139 -6.758) 8.674 13.539 ( -0.904 1.369 1.409) 2.162 13.602 ( 0.194 2.402 0.039) 2.410 13.643 ( -3.608 10.735 1.565) 11.433 13.795 ( -4.561 14.634 -3.637) 15.754 14.131 ( 6.408 0.677 -0.494) 6.463 14.289 ( 0.930 -1.049 -6.970) 7.109 14.764 ( 3.958 -0.905 11.744) 12.426 14.881 ( -0.410 -3.134 3.348) 4.604 14.929 ( 1.574 -3.318 2.480) 4.431 15.183 ( 4.198 0.669 -13.191) 13.859 15.842 ( -14.601 -1.728 7.922) 16.701 15.988 ( -7.136 -6.958 -3.097) 10.437 16.452 ( 2.025 -5.668 2.611) 6.561 16.495 ( 0.875 -4.240 1.540) 4.595 16.684 ( 5.008 -6.482 -0.871) 8.237 16.804 ( 0.565 -8.030 -6.672) 10.455 19.539 ( 3.635 4.698 4.895) 7.697 19.651 ( 0.926 5.956 -1.624) 6.243 19.699 ( 1.582 7.164 -0.884) 7.389 19.892 ( 8.728 10.774 -12.106) 18.407 20.196 ( -2.743 -0.002 8.499) 8.931 20.224 ( -5.852 4.140 5.645) 9.124 20.376 ( -4.326 2.828 -2.105) 5.581 20.574 ( 1.084 -0.828 -10.352) 10.442 20.712 ( 1.060 2.103 1.554) 2.821 20.825 ( 2.139 0.331 -3.173) 3.842 21.949 ( -9.514 -5.649 3.858) 11.718 21.998 ( -3.321 -4.711 1.500) 5.956 22.069 ( -2.134 -1.043 -0.710) 2.479 22.102 ( -0.804 -2.843 0.378) 2.979 22.264 ( 4.433 -11.302 5.394) 13.285 22.311 ( 4.531 -6.982 4.363) 9.397 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -14.900 7.385 21.865) 27.471 0.976 ( -2.027 8.300 -0.999) 8.602 1.116 ( -9.337 7.173 3.331) 12.236 1.155 ( -0.465 8.777 -1.206) 8.872 1.222 ( -1.588 9.928 -0.927) 10.097 1.412 ( -8.927 5.272 4.614) 11.348 1.421 ( -6.470 2.169 -1.842) 7.068 1.562 ( 1.079 1.060 4.596) 4.839 1.696 ( 0.251 1.975 3.408) 3.947 1.751 ( -4.051 -1.010 -5.979) 7.292 1.884 ( -0.239 6.478 -0.005) 6.482 1.937 ( 1.024 5.486 -0.399) 5.595 2.070 ( 1.549 -1.100 -0.132) 1.904 2.113 ( 1.627 -2.822 0.470) 3.291 2.207 ( 4.469 1.972 11.221) 12.239 2.218 ( 2.371 0.648 0.482) 2.504 2.284 ( 2.586 0.368 -0.690) 2.701 2.312 ( 2.226 2.124 -6.480) 7.173 2.364 ( 4.229 6.318 -2.460) 7.991 2.427 ( 4.065 4.609 -4.405) 7.560 2.741 ( 1.494 -1.595 -0.368) 2.216 2.813 ( 3.970 -2.739 -1.188) 4.967 3.076 ( -7.647 -0.281 -1.921) 7.890 3.124 ( -6.291 -0.826 3.965) 7.482 3.249 ( -1.280 -5.222 1.343) 5.541 3.298 ( -1.020 -5.335 -0.402) 5.446 3.412 ( 1.983 -3.369 0.085) 3.911 3.416 ( 1.328 -2.285 0.434) 2.678 3.468 ( 0.972 -1.398 -0.695) 1.839 3.491 ( 2.528 -2.214 0.471) 3.393 3.666 ( -0.538 -5.393 3.169) 6.278 3.685 ( 0.043 -3.416 -4.035) 5.287 3.945 ( -1.957 5.332 2.697) 6.288 3.995 ( -0.042 3.601 -2.649) 4.470 4.091 ( 2.917 0.799 7.900) 8.459 4.112 ( 3.080 1.392 -2.812) 4.397 4.171 ( 2.912 7.551 -2.101) 8.361 4.203 ( 2.637 4.142 -0.752) 4.967 4.430 ( 2.639 5.558 -0.696) 6.192 4.471 ( 3.554 7.342 0.091) 8.158 4.771 ( -7.447 -0.848 8.747) 11.519 4.824 ( -4.584 -4.328 -2.223) 6.685 4.940 ( -1.936 0.849 4.885) 5.323 4.999 ( -1.873 4.516 -0.490) 4.913 5.056 ( -0.363 7.589 -2.606) 8.032 5.136 ( 0.668 3.483 2.134) 4.139 5.273 ( 3.401 4.307 3.712) 6.625 5.317 ( 2.089 3.088 -0.231) 3.735 5.393 ( -2.263 -1.171 2.131) 3.321 5.529 ( 1.219 -4.578 -5.405) 7.187 5.726 ( -4.338 3.906 -0.366) 5.849 5.799 ( -0.406 3.472 -2.416) 4.249 5.997 ( -7.809 3.606 3.015) 9.115 6.179 ( -5.562 0.786 -4.662) 7.300 6.241 ( -3.497 -2.492 2.079) 4.771 6.373 ( -3.571 0.638 -2.466) 4.386 6.532 ( 7.551 4.169 0.357) 8.633 6.559 ( -3.054 0.189 -0.034) 3.060 6.619 ( 3.545 4.723 0.467) 5.924 6.723 ( -6.383 -2.366 -2.079) 7.118 7.080 ( -6.685 -0.057 1.410) 6.832 7.121 ( -4.522 -1.042 -1.069) 4.762 7.387 ( 5.251 4.476 3.306) 7.651 7.404 ( 5.936 4.539 -4.048) 8.498 7.972 ( 13.720 -6.623 3.667) 15.670 8.038 ( 15.023 -6.577 -4.333) 16.963 8.384 ( -0.013 -4.005 3.669) 5.432 8.390 ( 0.886 -3.873 -4.830) 6.254 8.558 ( -5.119 -3.461 1.184) 6.291 8.651 ( -2.579 -4.623 0.177) 5.296 8.849 ( -4.195 -6.840 4.632) 9.265 8.952 ( -2.867 -10.168 -5.055) 11.711 9.417 ( -1.563 -5.017 7.210) 8.922 9.460 ( -2.093 -5.850 -6.445) 8.952 9.911 ( 3.606 -10.738 4.585) 12.220 9.995 ( 4.747 -10.406 -4.946) 12.461 10.391 ( 2.776 0.492 -2.730) 3.924 10.522 ( 0.550 -0.303 6.127) 6.159 10.742 ( 2.172 -4.818 -1.072) 5.393 10.807 ( 1.834 -0.908 -4.213) 4.683 11.239 ( -0.898 24.758 -2.572) 24.908 11.263 ( 0.284 22.593 2.070) 22.689 11.920 ( -11.517 25.296 -6.979) 28.657 11.987 ( -11.272 19.431 6.668) 23.433 12.246 ( -1.712 -0.980 -0.391) 2.011 12.397 ( 1.112 -1.103 -1.126) 1.929 12.463 ( 2.230 -0.246 -1.448) 2.670 12.584 ( 4.368 -1.038 3.031) 5.417 13.541 ( -0.842 2.382 0.650) 2.609 13.600 ( 0.309 3.111 -1.943) 3.681 13.622 ( -3.648 10.281 3.466) 11.446 13.708 ( -1.992 10.405 -2.099) 10.800 14.200 ( 2.462 -0.706 1.766) 3.111 14.248 ( 2.326 -1.355 -2.478) 3.659 14.862 ( -1.265 -2.066 0.318) 2.443 14.956 ( 2.249 -2.797 -0.404) 3.612 15.060 ( 6.878 -4.306 12.085) 14.556 15.101 ( 6.777 -2.397 -11.075) 13.204 15.772 ( -11.344 -3.590 0.711) 11.919 15.783 ( -10.866 -3.043 -0.246) 11.287 16.504 ( 0.735 -4.101 -1.071) 4.302 16.523 ( 1.709 -6.026 2.421) 6.715 16.717 ( 0.852 -7.961 -3.031) 8.561 16.763 ( 2.541 -6.543 1.247) 7.129 19.632 ( 2.584 3.941 -2.580) 5.373 19.654 ( 3.073 5.106 1.939) 6.267 19.818 ( 6.832 7.131 3.593) 10.509 19.867 ( 7.679 8.217 -4.095) 11.969 20.180 ( -5.991 2.726 1.528) 6.757 20.246 ( -5.412 0.895 3.800) 6.673 20.311 ( -4.116 3.111 5.104) 7.258 20.405 ( -3.678 0.710 -10.232) 10.896 20.761 ( 1.448 0.700 2.316) 2.820 20.821 ( 2.754 0.074 -2.433) 3.675 21.862 ( -7.419 -3.524 1.635) 8.375 21.955 ( -4.188 -5.309 -1.041) 6.841 22.016 ( -2.165 -0.450 0.003) 2.211 22.115 ( 1.466 -2.876 -0.444) 3.258 22.331 ( 1.549 -6.192 -0.423) 6.397 22.431 ( 4.621 -7.154 1.558) 8.658 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.11 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -17.217 2.145 11.345) 20.730 0.904 ( -0.414 5.478 -4.364) 7.016 1.050 ( -5.371 10.008 9.752) 14.970 1.155 ( 3.153 11.979 -4.760) 13.270 1.196 ( -5.435 10.066 -4.196) 12.184 1.312 ( -2.880 4.401 2.448) 5.801 1.432 ( -2.505 5.724 9.381) 11.271 1.545 ( -2.808 1.472 -8.778) 9.333 1.637 ( 3.064 1.568 -1.469) 3.742 1.777 ( -0.248 -2.114 5.181) 5.601 1.873 ( -1.428 9.394 0.749) 9.532 1.925 ( 0.751 7.361 -1.690) 7.590 2.078 ( 0.608 -2.235 -1.534) 2.778 2.136 ( 2.105 -2.932 -4.242) 5.570 2.187 ( -3.461 -0.080 -1.718) 3.865 2.215 ( 3.855 -0.292 -7.504) 8.442 2.300 ( 1.307 5.046 -2.958) 5.994 2.373 ( -0.503 1.584 5.645) 5.884 2.433 ( 3.654 5.522 1.514) 6.792 2.472 ( 0.945 2.584 3.167) 4.195 2.790 ( 1.310 -4.263 3.074) 5.416 2.872 ( 3.053 -2.098 2.368) 4.397 2.968 ( -1.873 0.347 -1.632) 2.508 3.072 ( -5.138 -0.738 1.599) 5.431 3.245 ( -1.184 -5.085 0.846) 5.289 3.275 ( -0.130 -5.638 -1.536) 5.845 3.408 ( 0.868 -1.757 -2.445) 3.134 3.423 ( 0.376 -1.862 -2.378) 3.043 3.462 ( 0.507 -2.053 -1.366) 2.517 3.513 ( 0.584 -1.255 -1.389) 1.961 3.615 ( -0.399 -3.899 -3.078) 4.984 3.732 ( 0.181 -4.671 4.564) 6.533 3.947 ( -2.131 5.603 1.692) 6.229 3.982 ( 1.308 4.714 -0.108) 4.893 4.074 ( 0.364 -1.901 -5.066) 5.423 4.127 ( 0.423 10.309 -6.448) 12.167 4.251 ( 1.486 3.555 1.745) 4.230 4.285 ( 2.017 -3.885 9.677) 10.621 4.420 ( 1.277 7.684 -5.652) 9.624 4.574 ( 2.289 5.421 4.659) 7.506 4.677 ( -2.097 -3.477 -1.668) 4.390 4.731 ( -6.734 -1.912 0.641) 7.029 4.904 ( -1.962 5.908 -4.218) 7.520 5.010 ( -1.263 2.756 4.485) 5.414 5.118 ( 0.424 3.333 7.414) 8.140 5.161 ( -2.408 3.518 3.138) 5.293 5.332 ( 2.567 3.094 -0.493) 4.050 5.367 ( -0.863 4.867 1.629) 5.205 5.414 ( -1.278 0.082 6.120) 6.252 5.509 ( -0.170 -4.379 0.747) 4.446 5.661 ( 0.186 4.163 -1.112) 4.313 5.801 ( 0.362 3.114 2.098) 3.772 5.935 ( -2.144 6.266 -0.604) 6.650 6.083 ( 0.236 2.840 -4.605) 5.416 6.236 ( 2.063 -2.489 0.503) 3.272 6.289 ( -5.327 0.600 0.637) 5.398 6.495 ( -1.790 1.102 0.402) 2.141 6.608 ( 3.455 4.804 -3.892) 7.083 6.654 ( -1.643 -1.427 0.600) 2.258 6.704 ( 4.642 4.931 -0.123) 6.773 6.983 ( -4.953 -1.251 -2.740) 5.797 7.048 ( -1.574 -1.201 -2.232) 2.983 7.428 ( 2.381 1.627 1.405) 3.208 7.551 ( 2.272 5.801 9.215) 11.123 8.042 ( 3.777 -8.994 -10.369) 14.236 8.246 ( 7.134 -1.258 -3.818) 8.188 8.327 ( 3.555 -7.341 2.479) 8.525 8.442 ( 4.603 -5.060 2.089) 7.152 8.501 ( -4.991 -4.203 4.317) 7.824 8.665 ( -5.297 -7.097 4.123) 9.769 8.837 ( -5.295 -9.461 3.801) 11.489 8.883 ( 2.162 -7.728 -1.093) 8.099 9.393 ( 1.315 -6.201 -3.338) 7.165 9.439 ( -2.859 -5.158 1.442) 6.071 9.945 ( -0.912 -11.129 -2.853) 11.525 9.988 ( 4.097 -9.862 -5.722) 12.116 10.365 ( 1.009 1.389 -5.334) 5.604 10.596 ( -3.799 -2.391 5.554) 7.141 10.743 ( 5.678 -3.407 -0.338) 6.630 10.817 ( 0.923 -5.314 -2.639) 6.004 11.236 ( 0.972 25.236 2.232) 25.353 11.289 ( -1.477 26.054 2.713) 26.237 11.741 ( -1.990 28.404 -4.452) 28.820 11.925 ( -6.789 26.233 4.137) 27.411 12.244 ( -0.128 -1.749 2.247) 2.850 12.390 ( 1.025 0.235 -0.707) 1.267 12.481 ( 1.561 -1.084 -0.798) 2.061 12.633 ( -0.644 -2.131 -0.068) 2.227 13.533 ( -0.568 1.742 -0.950) 2.064 13.552 ( -0.995 7.878 -2.007) 8.191 13.628 ( -0.593 4.643 1.375) 4.878 13.698 ( -0.005 8.961 1.565) 9.096 14.257 ( 0.026 -0.828 4.170) 4.251 14.280 ( 1.619 -1.239 2.659) 3.350 14.833 ( 0.128 -1.383 -2.711) 3.046 14.961 ( 2.714 -6.154 -3.807) 7.728 15.017 ( 1.647 -5.497 -12.047) 13.344 15.253 ( -0.481 -2.090 2.256) 3.113 15.587 ( 1.500 -1.458 -1.772) 2.741 15.725 ( -8.502 -1.928 4.639) 9.875 16.481 ( 0.482 -4.939 -3.015) 5.807 16.535 ( -0.186 -4.890 -2.398) 5.449 16.744 ( 1.788 -8.525 4.561) 9.832 16.828 ( -0.055 -6.734 4.666) 8.192 19.627 ( 2.775 4.306 -3.408) 6.152 19.702 ( 0.463 5.515 0.748) 5.585 19.816 ( 4.659 7.173 -7.790) 11.569 19.994 ( -3.599 7.535 -0.343) 8.357 20.101 ( -2.622 -0.058 0.081) 2.623 20.230 ( -1.270 4.437 -3.476) 5.777 20.310 ( 2.770 -1.923 11.355) 11.845 20.401 ( -2.556 2.528 12.833) 13.327 20.797 ( -0.734 0.162 1.701) 1.859 20.844 ( 2.644 0.073 0.300) 2.662 21.785 ( -4.080 -3.549 -1.347) 5.573 21.874 ( -0.643 -4.842 -4.711) 6.786 22.004 ( -0.705 -0.886 0.635) 1.298 22.122 ( 0.832 -2.852 -0.849) 3.089 22.316 ( 0.873 -3.527 -4.160) 5.523 22.445 ( 0.936 -6.132 -5.445) 8.254 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -17.150 4.753 10.135) 20.480 0.762 ( -6.948 7.140 -8.424) 13.047 1.087 ( 6.982 4.508 -6.613) 10.621 1.118 ( 0.816 3.652 -6.119) 7.172 1.200 ( -4.104 12.533 9.711) 16.377 1.362 ( -3.264 7.055 -4.550) 9.007 1.363 ( 3.137 8.772 6.959) 11.628 1.546 ( -4.221 6.595 7.485) 10.832 1.675 ( 2.832 5.509 -0.410) 6.208 1.825 ( -1.007 -1.979 2.937) 3.682 1.868 ( 0.608 7.400 -2.829) 7.946 1.915 ( -0.095 1.402 -2.027) 2.466 1.980 ( -2.510 5.237 -2.592) 6.360 2.084 ( -3.088 -1.698 -2.807) 4.505 2.134 ( 1.191 2.251 -2.615) 3.650 2.237 ( 4.064 0.842 -1.379) 4.374 2.267 ( 0.054 2.688 -1.118) 2.911 2.378 ( -6.048 0.991 -0.322) 6.137 2.423 ( 0.596 4.602 1.792) 4.974 2.583 ( 7.902 0.636 0.766) 7.964 2.830 ( -1.394 -5.029 2.113) 5.630 2.931 ( -0.329 -1.715 0.894) 1.962 2.960 ( -0.464 -2.957 1.738) 3.461 3.068 ( 1.334 -0.286 2.769) 3.086 3.237 ( -1.261 -4.111 0.454) 4.324 3.255 ( -0.218 -4.888 -1.589) 5.145 3.361 ( -0.284 -0.700 -4.524) 4.586 3.376 ( -0.438 -1.636 -3.507) 3.895 3.464 ( 1.032 -1.709 -0.042) 1.997 3.482 ( -0.747 -1.289 -2.037) 2.524 3.600 ( 0.597 -0.249 0.928) 1.131 3.785 ( 0.382 -1.516 1.980) 2.523 3.921 ( -0.629 4.921 -3.313) 5.966 3.963 ( -0.644 4.135 -5.963) 7.285 4.024 ( -3.002 3.951 2.047) 5.367 4.085 ( 3.083 4.569 0.887) 5.583 4.211 ( -3.128 2.851 -2.419) 4.875 4.377 ( 5.294 5.016 -5.577) 9.181 4.414 ( -2.958 -2.078 8.016) 8.793 4.598 ( -4.679 -2.934 0.595) 5.554 4.633 ( -0.444 5.786 3.723) 6.894 4.753 ( 2.438 -2.240 -1.312) 3.561 4.855 ( -0.889 3.787 0.191) 3.895 5.009 ( -3.924 -0.041 0.187) 3.929 5.128 ( -7.019 6.970 2.334) 10.163 5.229 ( 0.293 1.640 7.157) 7.348 5.314 ( -5.411 4.051 1.122) 6.852 5.356 ( -1.826 2.412 2.303) 3.802 5.470 ( -3.903 1.345 5.378) 6.779 5.559 ( 3.535 -5.618 2.093) 6.960 5.705 ( 3.843 0.847 0.435) 3.959 5.801 ( 0.336 1.490 -4.142) 4.414 5.954 ( 0.502 10.415 4.591) 11.393 6.098 ( 8.642 4.871 -1.850) 10.092 6.224 ( -2.718 -1.294 1.180) 3.233 6.334 ( 5.083 -3.929 2.294) 6.822 6.527 ( -1.182 1.294 -2.123) 2.752 6.540 ( 1.474 2.724 -2.211) 3.805 6.642 ( -0.994 1.101 0.092) 1.486 6.722 ( 0.710 4.886 -2.107) 5.368 6.932 ( 3.995 -0.749 -2.039) 4.548 7.011 ( 2.443 -1.116 -4.671) 5.388 7.484 ( -2.902 -1.307 6.336) 7.090 7.677 ( -2.351 6.891 8.247) 11.001 7.904 ( -3.336 -9.741 -7.832) 12.936 8.138 ( -0.077 -0.345 -8.735) 8.742 8.415 ( -6.865 -8.380 6.276) 12.519 8.524 ( -8.046 -0.978 2.573) 8.504 8.571 ( 5.489 -8.469 0.453) 10.102 8.645 ( 5.990 -3.302 4.544) 8.211 8.813 ( -4.528 -9.396 3.534) 11.012 8.976 ( 6.266 -16.835 2.246) 18.103 9.317 ( -6.722 -4.386 -3.461) 8.740 9.473 ( 7.606 -5.083 0.410) 9.158 9.846 ( -3.650 -10.027 -4.453) 11.563 9.961 ( 4.569 -9.742 -6.388) 12.513 10.313 ( 0.868 3.892 -2.815) 4.881 10.577 ( -6.415 -2.327 3.801) 7.811 10.718 ( -1.605 -2.098 -8.604) 9.001 10.874 ( 7.849 -7.444 1.529) 10.925 11.293 ( -3.021 20.299 2.650) 20.693 11.325 ( 3.710 25.144 5.764) 26.062 11.726 ( 4.146 31.475 -2.078) 31.815 11.937 ( 4.492 35.468 1.284) 35.774 12.293 ( -0.228 -2.200 4.456) 4.975 12.398 ( 0.041 -2.856 -0.577) 2.914 12.493 ( 0.722 0.407 0.406) 0.923 12.575 ( -2.786 0.637 -3.075) 4.198 13.506 ( 0.229 2.076 -1.023) 2.325 13.543 ( 0.317 5.261 -0.027) 5.271 13.641 ( -0.072 4.291 1.178) 4.451 13.717 ( 1.215 8.813 -0.393) 8.905 14.314 ( -1.200 -0.974 5.264) 5.486 14.360 ( -0.000 0.906 7.328) 7.384 14.786 ( -3.293 -6.358 -7.471) 10.348 14.820 ( 0.876 -6.339 -8.545) 10.675 14.940 ( -0.791 -0.713 -2.796) 2.992 15.188 ( 4.949 3.635 -9.545) 11.350 15.626 ( -7.875 -2.706 2.861) 8.805 15.763 ( 9.468 -4.039 3.517) 10.878 16.447 ( -0.144 -5.112 -1.989) 5.487 16.489 ( -0.296 -3.751 -3.122) 4.889 16.835 ( -0.695 -9.545 6.135) 11.368 16.885 ( -0.700 -7.504 4.591) 8.825 19.599 ( -2.172 4.656 -3.286) 6.099 19.679 ( 1.677 8.109 -3.840) 9.128 19.756 ( -3.877 3.139 -1.337) 5.165 19.928 ( 5.180 8.365 -4.417) 10.785 20.077 ( -3.132 1.391 0.265) 3.437 20.226 ( 5.132 3.079 -1.353) 6.136 20.484 ( -8.211 -0.217 20.363) 21.957 20.639 ( 4.962 -0.539 12.869) 13.803 20.789 ( -3.147 -0.074 1.569) 3.518 20.893 ( 0.261 -0.042 2.932) 2.944 21.685 ( -1.366 -5.541 -9.344) 10.949 21.832 ( 6.418 -5.924 -6.585) 10.938 22.010 ( 0.062 -0.674 1.141) 1.327 22.118 ( 0.101 -1.505 -0.707) 1.666 22.250 ( -0.011 -3.384 -5.941) 6.837 22.336 ( -1.581 -3.020 -8.206) 8.886 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -12.569 7.148 4.082) 15.025 0.600 ( -12.235 13.304 7.675) 19.637 1.036 ( 2.052 10.077 -6.302) 12.061 1.046 ( -7.599 15.809 -3.295) 17.848 1.197 ( 6.865 5.358 -2.443) 9.045 1.402 ( -1.857 5.219 7.155) 9.049 1.514 ( 2.211 4.806 5.294) 7.485 1.538 ( -3.891 7.629 4.048) 9.473 1.672 ( 0.724 4.365 -5.253) 6.868 1.738 ( -4.520 4.545 -1.776) 6.651 1.876 ( 0.323 1.506 0.946) 1.808 1.884 ( -0.753 -0.688 -1.488) 1.804 1.982 ( -6.384 2.452 1.651) 7.035 2.037 ( 2.371 3.027 1.273) 4.050 2.129 ( -1.256 0.541 -0.121) 1.373 2.209 ( 2.535 4.511 -1.641) 5.428 2.319 ( 4.507 2.070 2.554) 5.579 2.371 ( 4.115 2.638 -0.015) 4.887 2.463 ( 1.236 1.807 1.403) 2.600 2.664 ( 6.005 -0.554 -4.397) 7.463 2.815 ( -1.619 -3.203 0.518) 3.626 2.933 ( 1.830 -1.815 -0.361) 2.603 2.963 ( -2.959 -0.622 2.093) 3.677 3.141 ( 1.845 -1.558 3.013) 3.861 3.189 ( -4.801 2.909 -0.890) 5.684 3.258 ( 1.901 -6.592 1.544) 7.032 3.313 ( 0.856 -3.085 -2.872) 4.301 3.344 ( 0.675 -2.812 -0.813) 3.004 3.420 ( -1.705 -3.413 -3.434) 5.133 3.488 ( 0.603 -2.112 0.243) 2.210 3.664 ( 1.849 6.051 5.462) 8.358 3.778 ( 1.185 6.352 -4.696) 7.988 3.877 ( -0.720 2.499 -2.244) 3.435 3.884 ( -0.088 2.972 -1.124) 3.179 4.038 ( -0.767 4.311 2.683) 5.135 4.148 ( 0.334 -1.359 0.124) 1.404 4.216 ( 4.259 3.429 4.292) 6.952 4.337 ( 2.204 3.807 -5.600) 7.121 4.468 ( 0.244 -0.339 2.433) 2.469 4.610 ( -1.669 -2.597 5.554) 6.354 4.646 ( -2.284 8.316 0.892) 8.670 4.748 ( 0.283 -1.218 -0.744) 1.455 4.813 ( -6.852 0.432 0.274) 6.871 4.938 ( -6.193 0.394 2.778) 6.799 5.020 ( -10.223 1.688 -0.084) 10.361 5.245 ( -6.760 3.275 1.514) 7.663 5.299 ( -1.645 2.178 2.945) 4.016 5.362 ( -2.024 3.487 0.819) 4.114 5.472 ( -0.888 0.106 0.424) 0.990 5.599 ( 0.160 -5.532 -0.390) 5.548 5.728 ( 1.047 -1.045 -2.672) 3.054 5.758 ( 2.006 -1.995 -1.597) 3.248 6.026 ( 0.939 12.361 4.533) 13.199 6.198 ( 6.553 7.684 -4.096) 10.898 6.246 ( -1.529 -7.309 2.370) 7.835 6.345 ( -2.202 -4.068 -1.631) 4.905 6.424 ( -1.154 -0.205 -3.115) 3.329 6.579 ( -2.251 4.471 1.797) 5.319 6.603 ( -3.395 4.960 -0.848) 6.070 6.799 ( 15.108 0.274 -1.670) 15.202 6.995 ( 5.539 -2.636 -3.913) 7.276 7.016 ( 7.650 2.702 -0.163) 8.114 7.498 ( -7.006 -2.942 5.582) 9.429 7.665 ( -4.733 0.422 -2.678) 5.455 7.779 ( -8.750 -3.042 1.929) 9.462 8.058 ( 0.818 -1.061 -3.552) 3.797 8.295 ( -15.431 -0.454 -0.544) 15.447 8.453 ( -1.739 -5.757 2.589) 6.547 8.633 ( -2.069 -15.973 0.700) 16.122 8.745 ( -0.127 -3.614 1.814) 4.046 8.813 ( -1.210 -8.278 1.503) 8.500 9.070 ( 4.635 -20.899 -0.020) 21.407 9.168 ( -5.769 -0.196 -2.509) 6.294 9.629 ( 10.141 -6.411 1.627) 12.107 9.779 ( -0.400 -4.973 -0.534) 5.018 9.965 ( 5.869 -9.137 -3.390) 11.377 10.314 ( -0.794 4.822 1.408) 5.086 10.538 ( -6.263 0.093 3.316) 7.087 10.584 ( 2.404 0.954 -8.608) 8.989 10.991 ( 6.179 -10.681 0.365) 12.345 11.275 ( -2.794 13.612 0.914) 13.925 11.495 ( 7.956 22.193 6.719) 24.515 11.739 ( 1.501 30.347 -3.433) 30.578 12.116 ( 18.054 35.535 -0.187) 39.859 12.329 ( -2.473 -2.826 1.499) 4.044 12.369 ( -3.000 0.708 0.926) 3.218 12.431 ( -1.551 5.124 -2.269) 5.815 12.604 ( 5.710 5.020 1.942) 7.847 13.509 ( -0.158 1.826 0.730) 1.973 13.554 ( 1.647 3.478 -0.331) 3.863 13.657 ( -0.108 5.073 1.187) 5.211 13.732 ( 4.118 9.544 -1.740) 10.539 14.351 ( -2.812 -3.171 3.287) 5.363 14.470 ( 1.187 2.711 6.934) 7.539 14.621 ( -5.014 -6.104 -2.901) 8.416 14.777 ( -0.073 -5.602 -3.907) 6.830 14.886 ( -1.604 0.325 -0.992) 1.914 15.200 ( 17.784 13.932 -9.525) 24.517 15.534 ( -7.771 -1.257 1.119) 7.951 15.933 ( 8.644 -6.539 1.332) 10.920 16.428 ( -0.408 -5.073 -0.229) 5.094 16.449 ( -0.436 -3.596 -1.773) 4.033 16.875 ( -3.479 -9.924 3.882) 11.210 16.927 ( -0.261 -8.939 2.098) 9.186 19.500 ( -4.009 5.258 -2.252) 6.985 19.686 ( 0.336 7.563 0.748) 7.607 19.707 ( 1.279 8.609 -1.120) 8.775 19.995 ( 8.484 4.921 -1.710) 9.956 20.026 ( -3.372 1.013 -0.365) 3.540 20.306 ( 7.160 2.062 -0.560) 7.472 20.664 ( -4.837 0.993 16.097) 16.837 20.779 ( -6.009 -2.449 10.605) 12.433 20.805 ( -0.515 -1.211 6.903) 7.027 20.903 ( -3.497 0.071 3.027) 4.626 21.423 ( -3.301 -7.561 -27.009) 28.241 21.885 ( 8.911 -8.386 -2.819) 12.557 22.042 ( 1.371 -0.009 1.985) 2.412 22.104 ( 0.267 0.275 -1.764) 1.805 22.176 ( -2.308 -3.923 -1.564) 4.812 22.215 ( -2.221 -1.059 -5.049) 5.616 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -8.011 12.897 13.961) 20.626 0.575 ( -12.332 14.926 13.238) 23.455 0.929 ( -11.519 28.833 12.945) 33.640 1.063 ( 4.803 7.579 1.269) 9.062 1.286 ( 2.337 -0.417 2.905) 3.751 1.430 ( 1.302 4.064 0.915) 4.365 1.509 ( -1.338 12.491 -0.446) 12.570 1.549 ( -1.147 1.471 -4.271) 4.660 1.672 ( 0.551 4.501 3.721) 5.866 1.688 ( -1.256 5.703 1.147) 5.951 1.856 ( -0.359 -1.960 -0.599) 2.081 1.876 ( -1.498 1.368 0.007) 2.029 1.936 ( -1.763 4.069 -1.744) 4.765 2.019 ( -2.959 -5.750 -1.070) 6.555 2.090 ( -4.940 0.671 5.306) 7.280 2.292 ( 4.458 0.919 -1.252) 4.721 2.421 ( 3.840 0.569 -4.711) 6.104 2.430 ( 5.956 5.510 -1.058) 8.182 2.496 ( 7.884 5.402 -4.694) 10.647 2.653 ( -1.007 -2.312 -1.476) 2.922 2.821 ( 1.812 -1.559 -1.188) 2.669 2.924 ( -0.755 2.918 1.526) 3.379 3.016 ( 5.287 -3.178 0.899) 6.234 3.117 ( -4.142 4.298 -0.014) 5.969 3.194 ( 2.880 0.400 -2.234) 3.667 3.292 ( 0.583 -6.402 -1.262) 6.551 3.310 ( 0.511 -5.407 0.693) 5.475 3.377 ( 5.951 -2.841 -0.568) 6.619 3.386 ( -0.631 -3.522 3.218) 4.812 3.493 ( 0.371 -3.126 -0.382) 3.171 3.705 ( 1.053 6.862 -6.272) 9.356 3.772 ( -0.092 5.555 4.572) 7.195 3.854 ( -0.743 2.380 1.592) 2.958 3.911 ( 1.751 6.287 1.122) 6.622 4.048 ( 0.800 3.407 -1.004) 3.641 4.157 ( -0.004 -2.730 0.427) 2.764 4.270 ( 1.302 0.987 -0.203) 1.646 4.372 ( 3.613 5.201 -2.762) 6.909 4.491 ( 3.050 2.630 -0.779) 4.102 4.606 ( -5.204 -6.550 -0.547) 8.384 4.613 ( -2.549 9.499 -1.474) 9.945 4.688 ( -9.743 -4.029 -0.717) 10.568 4.713 ( -8.072 -1.518 1.375) 8.328 4.899 ( -3.727 4.682 4.291) 7.364 4.926 ( -7.245 2.724 6.638) 10.197 5.140 ( -7.356 4.232 -2.187) 8.764 5.296 ( -1.888 3.805 8.586) 9.579 5.318 ( -1.093 1.475 -0.767) 1.990 5.472 ( 0.199 -2.777 -1.087) 2.989 5.621 ( -0.873 -6.794 9.808) 11.963 5.743 ( 1.543 -5.791 1.413) 6.157 5.769 ( 1.346 -4.001 -0.612) 4.266 6.039 ( -1.387 10.210 -8.680) 13.473 6.144 ( -4.587 3.585 7.359) 9.383 6.229 ( -2.929 -0.351 0.731) 3.039 6.355 ( 4.661 -2.625 -2.179) 5.776 6.409 ( 0.549 1.490 0.933) 1.841 6.518 ( -3.321 2.445 -1.819) 4.507 6.580 ( -2.338 6.910 2.597) 7.744 7.000 ( 12.399 0.408 -1.607) 12.509 7.064 ( 9.041 -2.006 -1.333) 9.357 7.148 ( 10.012 4.487 1.018) 11.018 7.408 ( -6.523 -3.853 -4.311) 8.717 7.577 ( -5.684 -0.230 1.710) 5.941 7.637 ( -12.620 -1.954 -0.135) 12.771 7.998 ( -9.432 1.404 -1.981) 9.740 8.128 ( -2.961 -2.550 2.031) 4.403 8.448 ( -0.053 -5.407 -2.894) 6.133 8.536 ( -10.901 -13.805 2.610) 17.783 8.727 ( -3.149 1.872 2.556) 4.467 8.821 ( 0.665 -5.054 0.242) 5.104 9.107 ( 1.861 -14.121 -1.281) 14.301 9.123 ( -0.581 -5.201 1.527) 5.452 9.739 ( 5.186 -7.563 -2.136) 9.415 9.793 ( 2.030 -2.431 -1.213) 3.392 10.029 ( 4.980 -8.435 -0.137) 9.796 10.321 ( -1.038 5.279 4.156) 6.798 10.486 ( -3.451 1.807 0.072) 3.896 10.568 ( 2.297 0.366 -2.959) 3.764 11.047 ( 3.095 -10.802 -2.057) 11.423 11.245 ( -1.441 11.688 -0.691) 11.797 11.633 ( 4.555 22.463 -12.017) 25.879 11.750 ( 4.939 24.393 10.540) 27.028 12.229 ( -0.163 -0.450 -1.041) 1.146 12.250 ( -3.571 -1.511 -0.383) 3.896 12.363 ( -1.947 -2.137 1.507) 3.260 12.552 ( 8.619 9.080 -0.803) 12.545 12.767 ( 20.101 18.535 -7.203) 28.275 13.516 ( 0.019 1.773 0.773) 1.934 13.578 ( 1.335 2.733 0.409) 3.069 13.665 ( -0.230 5.988 0.473) 6.011 13.830 ( 12.705 12.056 -0.845) 17.535 14.287 ( -7.629 -4.790 -4.749) 10.183 14.497 ( -0.615 2.145 -7.957) 8.264 14.559 ( -2.401 -1.116 3.420) 4.325 14.748 ( -0.209 -7.231 2.277) 7.584 14.878 ( -0.893 -0.874 1.592) 2.024 15.441 ( -4.006 -0.470 -2.689) 4.847 15.588 ( 41.191 23.905 5.114) 47.899 16.037 ( 5.016 -7.485 -0.259) 9.014 16.424 ( -0.602 -5.573 0.001) 5.606 16.434 ( -0.983 -4.064 1.022) 4.304 16.803 ( -9.035 -10.644 -4.099) 14.551 16.929 ( -0.553 -8.927 -1.173) 9.021 19.445 ( -2.199 5.221 0.640) 5.701 19.705 ( 4.541 10.776 -3.664) 12.254 19.755 ( 3.492 8.331 1.534) 9.163 19.995 ( -2.307 0.062 3.364) 4.079 20.103 ( 5.682 3.540 2.412) 7.116 20.396 ( 5.864 1.238 -0.647) 6.028 20.625 ( -9.351 0.277 -32.755) 34.065 20.724 ( -6.258 2.097 -8.473) 10.741 20.778 ( -4.536 -0.953 -5.163) 6.939 20.867 ( -0.308 0.660 -2.482) 2.586 21.311 ( -1.194 -12.671 49.015) 50.640 21.964 ( 3.662 -8.069 0.464) 8.873 22.083 ( 0.835 -0.520 0.267) 1.019 22.093 ( 1.817 -0.308 -1.310) 2.261 22.138 ( -4.378 -2.742 0.245) 5.172 22.153 ( -2.239 -1.869 3.239) 4.359 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -7.936 17.220 12.758) 22.853 0.929 ( -6.492 15.179 12.577) 20.754 1.261 ( -1.124 0.014 5.228) 5.347 1.352 ( 1.471 6.209 4.293) 7.691 1.459 ( 0.341 3.733 -3.830) 5.359 1.545 ( -1.286 16.462 7.542) 18.153 1.622 ( 1.490 4.718 1.495) 5.168 1.665 ( -2.940 -0.397 -3.889) 4.892 1.742 ( -0.977 8.033 -0.691) 8.122 1.755 ( 0.377 3.276 0.832) 3.401 1.891 ( 0.893 5.169 0.976) 5.335 1.909 ( 0.480 2.474 -0.069) 2.521 1.967 ( -0.620 2.773 2.170) 3.575 2.038 ( -0.904 5.795 2.095) 6.228 2.166 ( -0.549 2.627 5.123) 5.784 2.267 ( 0.967 -1.455 -4.461) 4.791 2.378 ( 0.148 1.795 -4.097) 4.476 2.485 ( -1.803 1.047 -6.973) 7.278 2.551 ( 3.118 2.736 -1.873) 4.552 2.623 ( 0.370 0.887 -1.428) 1.722 2.725 ( -0.597 -0.202 -7.577) 7.603 2.910 ( -0.241 -3.425 -11.787) 12.277 3.018 ( -1.092 -2.429 5.273) 5.907 3.067 ( -0.369 -1.530 7.030) 7.204 3.141 ( -0.547 -7.987 1.786) 8.203 3.203 ( 0.530 -8.483 0.655) 8.525 3.234 ( 0.520 -2.386 2.567) 3.543 3.354 ( 0.580 -0.767 2.635) 2.805 3.370 ( 0.396 -2.107 -1.487) 2.609 3.380 ( -0.147 -2.163 -2.265) 3.135 3.687 ( -0.364 -1.183 -3.857) 4.050 3.831 ( 0.999 4.835 -8.878) 10.159 3.946 ( 0.470 -0.993 5.906) 6.008 4.046 ( -0.706 6.385 -0.917) 6.489 4.111 ( -1.601 6.414 -0.093) 6.611 4.180 ( -1.596 2.919 4.358) 5.483 4.354 ( -0.640 4.236 -10.760) 11.582 4.430 ( -0.127 5.548 5.122) 7.552 4.445 ( -1.071 3.329 6.271) 7.180 4.505 ( -1.746 3.276 -5.108) 6.314 4.728 ( -5.022 2.069 8.630) 10.197 4.740 ( 3.912 4.722 -0.363) 6.143 4.885 ( 0.651 6.318 11.740) 13.348 5.009 ( -4.477 3.851 5.264) 7.911 5.091 ( 0.784 4.970 2.511) 5.623 5.153 ( 0.229 -1.603 5.600) 5.829 5.229 ( 0.204 2.268 -7.768) 8.095 5.412 ( 0.083 1.115 -3.569) 3.740 5.452 ( 0.377 0.845 1.281) 1.580 5.512 ( -1.650 -7.584 1.355) 7.879 5.693 ( -3.804 -6.246 23.271) 24.393 5.732 ( -0.444 -4.148 2.522) 4.875 6.116 ( 0.993 10.437 -8.913) 13.760 6.232 ( -2.907 -0.263 -1.440) 3.255 6.261 ( 3.704 -0.714 -0.680) 3.832 6.452 ( 1.473 -2.081 -4.371) 5.060 6.488 ( 1.340 4.133 2.599) 5.063 6.543 ( 1.269 12.449 -0.212) 12.516 6.730 ( -0.163 7.494 -0.914) 7.552 7.099 ( 1.347 -0.907 1.568) 2.258 7.133 ( -0.340 5.704 -3.759) 6.840 7.280 ( 1.233 1.779 -1.312) 2.531 7.338 ( -0.653 2.630 0.198) 2.717 7.443 ( 0.307 -7.912 0.696) 7.948 7.542 ( 0.293 2.414 -4.590) 5.194 7.870 ( 0.706 -1.333 -8.052) 8.192 8.102 ( 0.451 -5.906 6.137) 8.529 8.327 ( -0.066 -7.861 -1.095) 7.937 8.412 ( -0.201 -3.176 7.632) 8.269 8.728 ( 0.419 -11.583 0.425) 11.598 8.781 ( 0.119 1.183 0.640) 1.350 8.799 ( -0.999 -0.486 1.331) 1.734 9.156 ( 0.007 -1.500 2.272) 2.722 9.558 ( 0.640 -11.011 -2.528) 11.316 9.668 ( -0.488 -6.273 -5.249) 8.194 9.797 ( 1.132 -14.172 -4.244) 14.838 10.469 ( -2.723 1.816 6.754) 7.505 10.477 ( -0.711 1.149 -2.350) 2.711 10.556 ( 3.971 1.886 -5.191) 6.802 10.856 ( 1.393 -6.891 -3.611) 7.904 11.573 ( -0.063 18.817 2.342) 18.962 11.884 ( 0.273 12.559 -7.170) 14.465 12.171 ( 0.924 -3.836 1.032) 4.078 12.202 ( -0.075 -3.403 0.212) 3.411 12.327 ( -0.286 1.317 2.499) 2.839 12.409 ( 0.238 22.530 6.944) 23.577 12.569 ( -1.679 1.459 -2.379) 3.257 12.916 ( 0.435 6.438 -9.703) 11.652 13.591 ( -0.545 6.008 0.471) 6.051 13.698 ( 0.794 8.092 -1.354) 8.243 13.897 ( -1.186 15.133 3.757) 15.637 14.031 ( -0.193 -0.105 1.648) 1.663 14.208 ( 1.152 6.959 -2.222) 7.396 14.363 ( -0.485 -2.784 -8.677) 9.125 14.642 ( 0.088 4.633 5.082) 6.878 14.690 ( 1.203 -5.681 7.501) 9.486 14.849 ( -1.002 -2.573 1.388) 3.091 15.347 ( 0.347 0.916 -8.073) 8.132 15.874 ( -0.403 -10.065 -0.064) 10.073 16.047 ( 0.446 3.516 -10.745) 11.315 16.211 ( -0.388 -11.674 1.500) 11.776 16.305 ( -0.068 -8.920 5.099) 10.274 16.548 ( 0.329 -7.685 -4.679) 9.003 16.662 ( -0.200 -12.062 -3.089) 12.453 19.583 ( -0.123 7.279 2.731) 7.776 19.846 ( 0.146 5.886 -2.512) 6.401 19.889 ( -0.971 7.535 -6.105) 9.746 20.101 ( -0.534 4.087 7.147) 8.251 20.269 ( 1.536 7.247 -16.918) 18.469 20.290 ( -0.915 5.250 5.307) 7.521 20.452 ( 0.200 0.562 1.096) 1.248 20.638 ( -0.068 -1.518 -6.069) 6.256 20.798 ( -0.100 5.414 -1.928) 5.748 20.869 ( 0.551 2.034 -2.484) 3.257 21.461 ( -0.374 -18.681 24.826) 31.071 21.804 ( 0.479 -13.312 2.067) 13.480 22.062 ( -2.343 -0.373 1.104) 2.617 22.078 ( -1.009 -0.795 0.046) 1.285 22.120 ( 0.269 -0.321 -0.084) 0.428 22.131 ( 3.471 -1.174 0.448) 3.691 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -12.069 15.089 13.601) 23.630 1.059 ( -3.670 10.525 15.970) 19.475 1.295 ( -6.339 3.634 5.168) 8.950 1.383 ( -1.505 8.916 -0.919) 9.089 1.422 ( 1.111 0.113 0.674) 1.304 1.493 ( -4.693 6.352 -6.320) 10.115 1.617 ( -0.856 7.648 1.167) 7.783 1.674 ( 1.373 0.195 -3.296) 3.576 1.713 ( -3.826 9.707 3.237) 10.925 1.811 ( 0.223 -0.114 3.305) 3.314 1.909 ( 3.398 3.855 0.232) 5.144 1.962 ( 0.979 5.093 3.271) 6.132 2.019 ( 1.819 -0.662 3.691) 4.168 2.084 ( 2.624 4.178 3.047) 5.799 2.168 ( -1.914 -0.783 -5.831) 6.187 2.255 ( 1.841 5.885 3.586) 7.133 2.286 ( -3.085 -0.204 -5.790) 6.563 2.422 ( 1.206 5.151 1.326) 5.454 2.506 ( -1.329 4.170 -5.716) 7.199 2.570 ( 3.238 3.313 -8.676) 9.835 2.683 ( 2.203 -1.102 0.235) 2.475 2.788 ( 1.885 -1.876 -7.510) 7.967 3.070 ( -2.571 -3.588 6.008) 7.455 3.115 ( -4.401 -4.102 3.419) 6.920 3.155 ( -1.561 -2.906 2.151) 3.938 3.219 ( -0.411 -5.983 2.149) 6.370 3.277 ( 0.925 -4.441 1.839) 4.895 3.345 ( 0.187 -2.179 -1.449) 2.624 3.375 ( 2.283 -3.638 -0.005) 4.295 3.404 ( 2.326 -1.765 0.267) 2.932 3.641 ( 0.155 0.834 -2.864) 2.987 3.726 ( -0.372 1.514 -6.104) 6.300 4.034 ( -1.506 -0.520 7.079) 7.256 4.048 ( 0.288 5.881 1.137) 5.996 4.110 ( 0.933 9.039 0.490) 9.100 4.187 ( -0.536 1.187 -4.012) 4.218 4.238 ( 1.546 3.327 -3.255) 4.905 4.367 ( -3.128 7.355 -3.332) 8.659 4.491 ( 0.463 3.546 2.526) 4.378 4.573 ( 0.814 6.208 5.432) 8.289 4.698 ( 1.153 3.098 0.679) 3.375 4.880 ( -3.755 2.164 9.474) 10.418 4.926 ( -3.972 0.342 -2.298) 4.602 5.081 ( 1.324 5.303 8.949) 10.486 5.131 ( 0.448 2.785 3.322) 4.358 5.219 ( 4.076 5.078 0.654) 6.544 5.258 ( 2.671 -0.631 5.023) 5.724 5.339 ( -0.384 2.990 -6.178) 6.874 5.455 ( -1.813 2.638 -1.860) 3.702 5.484 ( -2.032 -5.021 0.261) 5.423 5.757 ( -0.249 -1.634 2.884) 3.325 5.921 ( -4.956 -5.174 12.909) 14.764 6.013 ( 1.591 4.419 -6.896) 8.343 6.190 ( -1.845 -1.117 1.261) 2.499 6.298 ( -0.826 -2.948 -2.338) 3.852 6.360 ( -0.944 -0.894 -2.112) 2.480 6.510 ( 2.527 2.737 -1.208) 3.916 6.619 ( 6.191 6.247 -2.903) 9.262 6.725 ( -1.392 7.766 2.784) 8.366 6.905 ( -10.230 3.061 -6.471) 12.485 7.174 ( -3.057 3.445 5.014) 6.808 7.244 ( -7.557 4.453 -0.225) 8.774 7.339 ( 5.473 3.372 1.295) 6.558 7.470 ( 7.319 -1.174 -6.459) 9.832 7.624 ( 8.930 -4.356 2.602) 10.271 7.821 ( 8.999 -4.994 -9.350) 13.905 8.196 ( 0.802 -7.105 5.537) 9.044 8.305 ( 0.000 -8.053 -1.883) 8.270 8.499 ( -3.472 -1.442 7.919) 8.766 8.711 ( -3.522 -1.963 -3.397) 5.272 8.770 ( -0.836 -4.075 0.435) 4.182 8.798 ( -0.204 -3.907 -0.775) 3.988 9.221 ( -0.259 -4.417 7.027) 8.304 9.459 ( -5.044 -9.379 -6.182) 12.314 9.624 ( 1.381 -8.635 -0.362) 8.752 9.767 ( 3.522 -12.570 -3.933) 13.634 10.434 ( 0.470 1.710 -2.928) 3.423 10.483 ( -1.108 1.338 2.236) 2.832 10.610 ( 4.587 -0.622 1.305) 4.809 10.811 ( 0.482 -4.680 -4.532) 6.533 11.625 ( 1.061 18.020 3.917) 18.471 11.775 ( -1.192 15.984 -6.557) 17.318 12.165 ( -3.233 -4.196 -0.670) 5.339 12.205 ( 0.205 -4.327 0.214) 4.337 12.396 ( 2.019 3.513 4.294) 5.904 12.496 ( -1.298 6.873 -2.017) 7.279 12.520 ( 1.000 15.913 4.872) 16.672 12.762 ( -2.197 14.390 -9.364) 17.308 13.598 ( -0.413 5.697 1.429) 5.888 13.681 ( 0.253 6.337 -1.987) 6.646 13.916 ( -4.234 15.542 4.728) 16.788 14.034 ( -2.994 5.916 2.598) 7.121 14.191 ( 3.704 7.424 -5.668) 10.048 14.255 ( 0.639 -2.409 -7.302) 7.716 14.749 ( -1.284 -0.711 11.704) 11.796 14.793 ( 0.257 -4.025 4.320) 5.910 14.880 ( 3.542 -1.460 1.815) 4.240 15.207 ( 1.531 1.464 -14.041) 14.200 15.826 ( -8.885 -2.235 0.489) 9.175 15.835 ( -8.839 -4.324 -1.088) 9.900 16.281 ( 2.875 -11.511 2.905) 12.215 16.376 ( 1.067 -7.664 2.226) 8.052 16.506 ( 2.022 -12.100 -3.189) 12.675 16.615 ( 1.386 -9.585 -4.925) 10.865 19.653 ( 2.841 6.373 4.444) 8.273 19.798 ( 0.382 8.133 -4.800) 9.452 19.849 ( 1.604 6.456 1.110) 6.744 20.090 ( 5.401 7.570 -10.807) 14.258 20.219 ( -3.488 3.044 6.877) 8.290 20.324 ( -5.152 5.477 4.963) 9.009 20.435 ( -3.538 2.922 0.449) 4.611 20.557 ( 1.549 -0.647 -8.698) 8.859 20.773 ( -0.243 3.809 -0.457) 3.844 20.842 ( 1.414 1.663 -3.102) 3.793 21.685 ( -3.486 -17.811 11.660) 21.571 21.815 ( -2.316 -13.377 1.452) 13.653 22.043 ( -2.947 -1.444 0.475) 3.316 22.050 ( -0.921 -0.916 -0.491) 1.389 22.161 ( 4.116 -1.308 1.492) 4.569 22.211 ( 5.730 -2.996 0.925) 6.532 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -12.854 10.557 11.077) 19.985 1.181 ( -4.310 9.841 1.984) 10.925 1.244 ( -7.607 7.544 7.732) 13.212 1.331 ( -0.495 8.592 0.806) 8.644 1.389 ( -0.826 6.418 -2.767) 7.038 1.496 ( 1.652 3.700 4.111) 5.772 1.545 ( -4.236 5.031 -4.426) 7.928 1.640 ( -0.249 5.777 0.377) 5.794 1.715 ( -2.174 2.121 2.069) 3.675 1.762 ( -4.802 2.346 -4.051) 6.706 1.960 ( 0.252 1.738 -1.075) 2.059 2.030 ( 3.654 3.619 3.529) 6.237 2.057 ( 1.633 -2.583 -2.150) 3.737 2.070 ( -1.166 -0.185 -1.991) 2.315 2.192 ( 2.047 -0.314 3.741) 4.276 2.238 ( 2.303 -0.370 1.819) 2.958 2.334 ( 0.138 1.905 1.469) 2.410 2.386 ( -1.226 6.106 -3.654) 7.221 2.512 ( 4.339 7.439 0.313) 8.618 2.549 ( 3.834 5.469 -0.801) 6.727 2.719 ( 1.488 0.153 -1.799) 2.340 2.754 ( 3.033 -2.444 -0.314) 3.907 3.066 ( -5.488 -1.216 0.255) 5.627 3.099 ( -3.479 -2.337 3.020) 5.166 3.135 ( -1.933 -4.012 0.294) 4.463 3.205 ( -1.545 -3.743 -0.925) 4.154 3.325 ( 1.873 -4.223 0.514) 4.648 3.345 ( 1.337 -4.758 -0.791) 5.005 3.423 ( 2.583 -2.638 0.784) 3.774 3.433 ( 3.063 -2.515 -0.739) 4.031 3.615 ( -1.431 -0.289 0.494) 1.542 3.664 ( -0.496 0.491 -2.045) 2.161 4.070 ( -0.686 6.041 0.943) 6.152 4.085 ( -0.033 3.937 -2.466) 4.646 4.105 ( 1.024 0.843 -4.859) 5.037 4.114 ( -1.771 0.660 7.027) 7.277 4.302 ( 3.792 6.181 3.441) 8.027 4.342 ( 1.487 7.285 -0.488) 7.451 4.524 ( -0.345 4.404 2.411) 5.032 4.609 ( 2.716 5.943 -0.356) 6.544 4.746 ( -8.169 0.119 -1.191) 8.256 4.774 ( -2.091 0.567 3.660) 4.253 4.984 ( -0.739 2.041 5.465) 5.881 5.109 ( -2.189 5.058 -0.612) 5.545 5.208 ( 0.411 6.344 -6.497) 9.090 5.234 ( 1.108 5.160 5.229) 7.429 5.332 ( 3.902 2.021 2.202) 4.915 5.365 ( 2.818 0.231 4.435) 5.259 5.380 ( -0.622 1.003 -3.996) 4.167 5.462 ( -2.318 -1.171 1.243) 2.879 5.794 ( -1.382 1.456 4.144) 4.604 5.862 ( -1.750 2.577 -5.721) 6.514 6.018 ( -4.348 -2.420 3.711) 6.207 6.180 ( -4.605 -0.997 -3.318) 5.762 6.189 ( -1.213 -1.800 0.439) 2.215 6.354 ( -1.031 -2.824 -2.284) 3.776 6.553 ( 2.290 2.379 0.319) 3.317 6.610 ( 1.482 1.708 -2.369) 3.275 6.747 ( -0.098 8.205 -2.890) 8.700 6.778 ( 1.718 8.867 1.500) 9.155 7.128 ( -6.897 4.531 -0.008) 8.252 7.165 ( -5.666 5.232 0.419) 7.723 7.456 ( 4.836 1.622 1.943) 5.458 7.480 ( 5.222 2.112 -2.079) 6.004 7.820 ( 11.223 -7.977 3.203) 14.137 7.872 ( 12.333 -9.725 -4.576) 16.359 8.266 ( 0.397 -8.163 2.669) 8.598 8.272 ( 0.577 -8.177 -3.161) 8.785 8.505 ( -6.871 -0.499 -1.164) 6.986 8.565 ( -6.204 -2.501 0.859) 6.744 8.750 ( -1.972 -2.396 -1.661) 3.520 8.782 ( -2.053 -5.738 1.751) 6.341 9.293 ( -2.125 -6.992 4.947) 8.825 9.320 ( -2.566 -7.734 -4.839) 9.477 9.695 ( 3.048 -10.917 3.538) 11.873 9.776 ( 4.564 -11.370 -3.806) 12.829 10.419 ( 2.073 2.122 -2.148) 3.662 10.527 ( -0.049 0.627 4.636) 4.678 10.672 ( 3.196 -2.066 -1.069) 3.953 10.760 ( 1.100 -2.123 -3.790) 4.481 11.683 ( -0.170 16.573 -1.218) 16.619 11.700 ( 0.421 16.670 0.846) 16.697 12.111 ( -2.440 -3.270 -0.229) 4.087 12.174 ( -3.147 -1.904 -0.727) 3.750 12.447 ( -0.105 9.893 1.265) 9.974 12.476 ( 1.295 3.468 -1.156) 3.879 12.589 ( -1.320 19.854 4.467) 20.393 12.647 ( -0.133 12.992 -3.673) 13.502 13.611 ( -0.638 6.054 1.278) 6.220 13.660 ( 0.473 4.679 -1.450) 4.921 13.920 ( -3.991 17.275 3.864) 18.146 13.986 ( -3.130 16.274 -2.606) 16.776 14.180 ( 1.795 -1.256 -0.025) 2.191 14.211 ( 1.475 -2.049 -1.618) 2.999 14.804 ( -0.229 -3.408 0.390) 3.438 14.871 ( 0.569 -5.233 0.503) 5.288 15.000 ( 2.449 -0.736 7.511) 7.934 15.060 ( 3.180 -1.126 -8.000) 8.683 15.696 ( -8.574 -2.998 -2.044) 9.310 15.731 ( -7.354 -1.642 2.581) 7.964 16.356 ( 1.169 -10.823 1.850) 11.042 16.376 ( 1.207 -9.497 -1.391) 9.674 16.520 ( 0.741 -10.921 -0.514) 10.959 16.592 ( 2.336 -10.090 -0.364) 10.364 19.733 ( 2.399 5.852 -0.611) 6.354 19.787 ( 2.880 7.584 0.384) 8.122 19.957 ( 5.205 5.308 7.979) 10.905 20.034 ( 6.202 7.251 -9.261) 13.297 20.234 ( -6.016 3.244 2.306) 7.213 20.281 ( -5.985 2.887 2.178) 6.993 20.392 ( -3.504 4.442 0.279) 5.665 20.437 ( -3.395 2.599 -3.695) 5.651 20.787 ( 0.608 2.008 1.538) 2.601 20.833 ( 2.069 1.344 -1.897) 3.112 21.717 ( -4.326 -11.539 2.720) 12.620 21.777 ( -2.256 -12.516 -1.949) 12.867 22.006 ( -2.119 -0.398 0.299) 2.177 22.046 ( 0.190 -2.852 0.137) 2.862 22.236 ( 3.340 -2.941 0.336) 4.463 22.298 ( 5.210 -5.200 -0.522) 7.380 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.22 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -11.333 8.247 5.887) 15.202 1.068 ( -2.436 10.140 -6.575) 12.328 1.259 ( -5.386 9.828 5.091) 12.309 1.308 ( -1.934 6.352 -6.772) 9.484 1.351 ( -0.327 8.083 1.291) 8.192 1.519 ( -0.702 9.335 6.169) 11.212 1.571 ( 0.006 5.589 1.431) 5.770 1.619 ( -4.246 5.581 -1.642) 7.202 1.669 ( 3.735 1.907 2.274) 4.771 1.756 ( -0.856 0.629 4.940) 5.053 1.932 ( 0.946 0.770 -2.903) 3.149 2.039 ( 0.077 -1.883 0.425) 1.932 2.052 ( -0.165 0.076 0.179) 0.255 2.125 ( -0.716 1.797 1.234) 2.295 2.211 ( 2.435 0.425 -2.462) 3.489 2.240 ( -1.289 4.148 -4.476) 6.237 2.338 ( 3.692 -0.828 1.598) 4.107 2.400 ( -4.092 2.191 3.588) 5.867 2.531 ( 3.890 5.866 -2.957) 7.634 2.599 ( 0.197 4.513 0.091) 4.518 2.731 ( 1.678 -0.201 1.122) 2.029 2.822 ( 0.825 -2.146 4.885) 5.399 2.985 ( -2.699 1.472 -2.444) 3.927 3.056 ( -2.169 -1.814 -1.108) 3.036 3.122 ( -1.347 -5.340 -0.275) 5.514 3.181 ( 0.336 -2.269 -0.990) 2.498 3.346 ( 0.433 -4.124 0.196) 4.151 3.352 ( 1.287 -5.390 -0.659) 5.581 3.414 ( 1.124 -1.586 -4.354) 4.768 3.480 ( 1.450 -1.891 -0.311) 2.403 3.612 ( -1.511 1.019 3.059) 3.561 3.662 ( -0.023 -1.532 2.074) 2.579 3.983 ( -0.094 -3.103 -6.767) 7.445 4.079 ( 0.276 5.283 0.272) 5.297 4.127 ( -0.710 7.304 3.595) 8.172 4.229 ( 0.245 0.050 9.736) 9.739 4.320 ( 0.432 8.335 -4.649) 9.554 4.351 ( 0.179 4.877 -2.484) 5.476 4.543 ( -0.963 4.998 -1.035) 5.194 4.638 ( -2.317 2.192 3.795) 4.957 4.680 ( 3.867 3.666 1.582) 5.559 4.746 ( -7.262 3.473 1.475) 8.184 4.999 ( -2.021 3.201 -0.957) 3.905 5.075 ( -1.171 3.465 -0.041) 3.658 5.162 ( 2.296 3.379 -2.999) 5.068 5.284 ( -1.186 3.196 4.078) 5.315 5.357 ( 1.275 1.405 -0.307) 1.922 5.403 ( 1.193 -1.639 1.758) 2.683 5.439 ( -1.252 3.502 2.603) 4.540 5.491 ( -0.244 0.776 6.218) 6.271 5.766 ( -2.052 5.187 -2.848) 6.263 5.843 ( -0.864 0.980 3.583) 3.814 6.001 ( -0.537 -1.760 2.496) 3.101 6.102 ( -0.352 -0.541 -3.988) 4.040 6.173 ( 1.173 -3.024 -1.057) 3.411 6.286 ( -1.495 -1.578 -3.458) 4.084 6.545 ( -0.080 5.635 -0.776) 5.689 6.629 ( -0.442 1.297 2.819) 3.135 6.773 ( 3.732 10.524 -2.707) 11.490 6.827 ( 4.971 7.262 -1.002) 8.857 7.026 ( -4.255 4.531 -2.645) 6.755 7.069 ( -4.435 4.219 -2.329) 6.550 7.472 ( 2.097 1.973 -1.155) 3.102 7.615 ( 1.643 -1.161 8.213) 8.456 7.876 ( 4.939 -6.625 -8.169) 11.619 8.076 ( 5.624 -14.374 5.071) 16.246 8.197 ( 0.077 -7.012 -6.524) 9.578 8.335 ( 3.230 -9.179 3.850) 10.465 8.379 ( -1.043 -2.342 -0.472) 2.607 8.554 ( -6.364 -2.154 5.674) 8.794 8.715 ( 0.103 -2.483 -0.068) 2.486 8.770 ( -2.679 -3.515 1.262) 4.596 9.254 ( 0.184 -7.253 -2.531) 7.684 9.310 ( -1.772 -7.254 1.975) 7.724 9.719 ( -0.312 -11.837 -3.242) 12.277 9.789 ( 2.905 -10.306 -3.035) 11.129 10.411 ( 1.141 2.905 -3.000) 4.330 10.562 ( -3.624 -0.870 3.222) 4.927 10.700 ( 4.693 -1.397 -1.131) 5.026 10.737 ( 1.338 -2.467 -3.595) 4.561 11.659 ( 1.128 14.465 -1.238) 14.562 11.726 ( -1.035 17.207 1.339) 17.290 12.092 ( -1.100 0.109 0.759) 1.341 12.162 ( -0.316 -1.842 4.230) 4.625 12.448 ( -0.935 15.872 -0.922) 15.926 12.483 ( 2.194 3.516 0.847) 4.230 12.612 ( -4.095 18.633 2.521) 19.243 12.634 ( 1.713 9.448 0.144) 9.603 13.608 ( -0.772 6.744 -0.062) 6.788 13.660 ( 0.724 4.716 -0.113) 4.772 13.849 ( -2.346 15.955 -3.894) 16.590 13.968 ( -0.631 16.520 0.687) 16.547 14.230 ( 1.143 -2.054 3.233) 3.997 14.259 ( 0.278 0.208 7.583) 7.591 14.770 ( 0.858 -7.804 -9.010) 11.951 14.810 ( 0.249 -2.413 -6.010) 6.481 14.975 ( 0.776 -0.169 -2.814) 2.924 15.196 ( -0.155 -2.564 9.234) 9.585 15.563 ( -1.697 -0.406 -3.549) 3.955 15.682 ( -4.452 -1.909 1.886) 5.198 16.330 ( 0.489 -10.336 -3.114) 10.806 16.405 ( 0.036 -8.239 -0.929) 8.291 16.532 ( 0.986 -12.431 2.935) 12.810 16.650 ( 0.443 -10.694 4.070) 11.451 19.742 ( 2.162 6.729 -2.105) 7.374 19.833 ( 0.798 7.057 1.856) 7.340 19.986 ( 2.636 9.073 -9.329) 13.278 20.094 ( -4.124 -0.213 -1.875) 4.535 20.159 ( 0.405 6.317 3.808) 7.387 20.260 ( -0.236 0.365 1.189) 1.266 20.341 ( 0.199 4.109 2.872) 5.017 20.464 ( -2.811 3.706 11.545) 12.447 20.812 ( -0.897 1.467 1.742) 2.448 20.850 ( 2.128 0.935 0.253) 2.338 21.656 ( -2.882 -9.721 -3.928) 10.873 21.714 ( 0.613 -11.069 -5.277) 12.278 21.992 ( -0.906 -0.298 0.650) 1.154 22.057 ( 0.047 -2.962 1.224) 3.206 22.251 ( 1.087 -2.595 -2.819) 3.983 22.324 ( 2.231 -5.195 -3.627) 6.717 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -7.847 9.878 3.181) 13.011 0.953 ( -4.085 11.999 -2.929) 13.010 1.178 ( 2.567 5.411 -8.033) 10.020 1.254 ( 1.052 9.160 -2.682) 9.603 1.412 ( -2.297 9.322 7.916) 12.443 1.506 ( -2.505 7.862 -0.458) 8.264 1.555 ( 1.099 7.874 0.736) 7.984 1.694 ( 0.045 4.858 6.590) 8.187 1.766 ( 3.248 1.187 2.217) 4.107 1.805 ( -1.822 1.696 4.465) 5.112 1.913 ( 0.445 2.132 -2.074) 3.008 1.985 ( -1.479 1.354 -5.166) 5.541 2.052 ( -5.013 -0.357 0.566) 5.057 2.116 ( 1.882 4.681 3.507) 6.145 2.212 ( 0.066 4.049 1.221) 4.230 2.240 ( 1.472 -0.143 0.939) 1.752 2.309 ( -2.782 2.051 -4.391) 5.588 2.394 ( 1.284 0.920 -1.627) 2.267 2.523 ( -2.056 3.938 -1.465) 4.678 2.622 ( 4.442 2.602 0.696) 5.195 2.755 ( -1.420 -1.764 2.122) 3.103 2.899 ( -1.023 -1.633 4.685) 5.065 2.936 ( 1.198 0.745 -1.921) 2.383 3.035 ( 0.107 -4.559 0.322) 4.572 3.099 ( 0.293 -4.754 -1.802) 5.093 3.168 ( 1.113 -2.678 -2.800) 4.032 3.319 ( -2.670 -3.652 -2.182) 5.022 3.361 ( 1.506 -1.529 -1.543) 2.643 3.376 ( 0.055 -4.893 -0.794) 4.957 3.453 ( -1.597 -0.905 -2.444) 3.057 3.668 ( 0.585 -1.704 4.746) 5.076 3.720 ( 1.899 1.809 4.945) 5.597 3.913 ( 1.114 -3.059 -4.436) 5.502 4.078 ( -0.275 6.277 -0.978) 6.359 4.164 ( -2.167 7.930 2.876) 8.709 4.238 ( 1.032 9.151 -5.773) 10.869 4.280 ( -2.087 5.825 -1.470) 6.360 4.367 ( 0.452 -0.032 8.930) 8.941 4.542 ( 0.958 7.426 -1.645) 7.666 4.598 ( -6.181 3.509 1.183) 7.206 4.714 ( -0.736 2.457 1.469) 2.956 4.768 ( 2.333 4.194 2.240) 5.296 4.950 ( -2.065 4.349 -1.096) 4.938 5.026 ( -2.657 1.140 -3.036) 4.193 5.152 ( -2.976 0.249 1.118) 3.188 5.321 ( -2.648 0.233 0.477) 2.700 5.359 ( -3.017 4.496 3.615) 6.510 5.416 ( -2.272 -0.427 1.038) 2.534 5.453 ( 0.374 -2.188 3.169) 3.869 5.534 ( -5.911 3.909 6.435) 9.572 5.748 ( 0.899 2.185 -0.011) 2.363 5.812 ( -3.734 -0.649 -4.663) 6.009 6.089 ( 3.067 0.959 4.763) 5.745 6.120 ( 8.185 -2.404 -0.197) 8.532 6.183 ( -1.770 -3.257 1.422) 3.970 6.254 ( 6.731 -2.803 -3.895) 8.267 6.563 ( 2.970 5.745 -1.068) 6.555 6.671 ( -0.474 3.822 3.505) 5.208 6.706 ( -1.909 10.651 -4.270) 11.633 6.858 ( -2.177 8.178 -0.499) 8.477 6.974 ( 5.069 5.330 -3.313) 8.068 7.010 ( 3.229 1.560 -5.874) 6.882 7.486 ( -2.788 0.990 2.897) 4.141 7.681 ( -2.492 -10.217 -0.125) 10.517 7.816 ( -2.981 4.197 1.572) 5.383 8.074 ( -1.403 -7.029 -4.480) 8.453 8.177 ( -0.078 -13.465 2.960) 13.787 8.345 ( 0.325 -13.615 -1.578) 13.710 8.490 ( -8.154 -3.173 1.786) 8.930 8.564 ( 8.908 0.175 5.325) 10.379 8.745 ( -1.568 -5.283 0.365) 5.523 8.764 ( 3.361 0.440 1.808) 3.842 9.214 ( -3.263 -5.655 -1.589) 6.719 9.342 ( 5.000 -7.643 1.028) 9.191 9.651 ( -1.145 -10.561 -2.365) 10.883 9.767 ( 2.445 -10.177 -4.992) 11.596 10.385 ( 0.660 3.345 -1.665) 3.794 10.543 ( -3.922 -1.161 2.864) 4.993 10.673 ( -0.028 -1.838 -6.576) 6.829 10.763 ( 5.225 -4.087 -1.057) 6.717 11.654 ( -2.337 13.834 -0.071) 14.030 11.741 ( 3.410 17.973 0.558) 18.302 12.114 ( 0.337 0.952 3.075) 3.237 12.237 ( -0.059 -3.669 4.449) 5.767 12.437 ( -0.034 10.380 0.621) 10.398 12.509 ( -1.495 2.884 -0.305) 3.263 12.558 ( -4.944 16.550 0.626) 17.284 12.697 ( 6.069 15.715 2.270) 16.998 13.597 ( -0.757 7.616 0.210) 7.656 13.668 ( 1.148 6.955 -0.810) 7.095 13.806 ( 0.507 13.157 -0.337) 13.171 13.947 ( 0.732 12.020 -3.336) 12.496 14.286 ( -0.031 -1.774 3.466) 3.894 14.407 ( -0.924 4.309 13.011) 13.737 14.599 ( -0.095 -8.054 -13.189) 15.454 14.751 ( -0.006 -2.385 -3.861) 4.538 14.964 ( -2.228 3.348 0.258) 4.030 15.253 ( 5.504 3.589 -0.729) 6.611 15.562 ( -0.606 -3.003 0.749) 3.154 15.677 ( 3.461 -3.763 0.636) 5.152 16.299 ( -0.497 -9.996 -1.490) 10.119 16.366 ( 0.003 -8.505 -3.542) 9.213 16.607 ( -0.480 -13.195 6.104) 14.547 16.698 ( -0.695 -10.708 3.013) 11.145 19.718 ( -2.611 6.702 -2.286) 7.547 19.856 ( -0.330 7.051 -3.949) 8.088 19.875 ( 0.424 10.184 0.933) 10.236 20.059 ( 0.133 1.799 -1.122) 2.124 20.136 ( -0.201 6.853 -3.432) 7.667 20.280 ( 4.982 1.686 -2.411) 5.786 20.474 ( -4.366 -0.777 16.209) 16.804 20.644 ( 2.547 1.076 11.968) 12.283 20.807 ( -2.197 1.840 0.957) 3.022 20.888 ( 0.662 0.035 1.607) 1.738 21.522 ( -2.846 -10.478 -10.792) 15.309 21.662 ( 5.065 -10.733 -7.341) 13.955 22.001 ( 0.123 -0.183 1.672) 1.686 22.079 ( -0.516 -2.107 2.221) 3.104 22.198 ( -0.645 -1.652 -4.797) 5.115 22.273 ( -0.579 -3.031 -4.906) 5.796 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -3.683 14.420 4.286) 15.487 0.898 ( -6.914 15.787 6.105) 18.284 1.149 ( 5.930 1.018 -4.985) 7.814 1.243 ( 3.073 12.011 -3.303) 12.830 1.467 ( -2.054 14.274 1.321) 14.481 1.505 ( 1.489 5.565 3.116) 6.550 1.582 ( -1.139 3.390 2.048) 4.121 1.716 ( -1.306 2.297 -1.087) 2.857 1.775 ( -3.604 2.830 0.452) 4.604 1.821 ( -1.386 6.749 2.062) 7.192 1.899 ( -1.061 5.125 1.156) 5.360 1.928 ( 0.287 2.231 -1.851) 2.913 2.012 ( -5.055 1.916 3.602) 6.496 2.131 ( -2.882 0.383 -1.234) 3.159 2.159 ( -4.045 4.764 -4.069) 7.457 2.279 ( 1.019 1.085 1.489) 2.105 2.348 ( 6.006 1.271 5.081) 7.969 2.397 ( 3.979 1.379 -0.481) 4.238 2.515 ( 3.577 2.850 -1.935) 4.966 2.649 ( 0.927 -0.588 -2.446) 2.681 2.787 ( -0.308 -0.077 3.677) 3.691 2.897 ( 1.633 0.005 -0.399) 1.681 2.995 ( 0.373 -0.127 4.666) 4.683 3.034 ( -0.997 -6.073 -1.025) 6.239 3.086 ( 2.331 -7.904 -1.292) 8.342 3.144 ( 0.824 -4.755 -2.806) 5.582 3.271 ( -0.625 -3.830 0.397) 3.901 3.336 ( -2.499 -3.962 -3.274) 5.716 3.370 ( 0.440 5.710 -0.444) 5.745 3.405 ( -0.715 -4.992 -0.371) 5.056 3.728 ( 0.432 -6.467 2.823) 7.070 3.815 ( 3.561 -2.113 0.113) 4.142 3.920 ( 0.951 8.091 4.496) 9.305 4.045 ( 0.801 9.283 -2.849) 9.744 4.138 ( -1.452 6.173 0.428) 6.356 4.173 ( -0.661 4.992 -4.513) 6.762 4.352 ( 3.109 9.017 6.833) 11.733 4.446 ( -4.228 5.737 0.867) 7.179 4.502 ( 5.171 4.916 -0.399) 7.145 4.584 ( -4.934 0.425 3.400) 6.007 4.681 ( -5.969 -3.270 0.041) 6.806 4.797 ( -0.051 6.072 -0.334) 6.081 4.884 ( -5.285 4.882 -1.012) 7.265 4.972 ( 0.615 2.296 -1.523) 2.823 5.077 ( -9.763 3.240 2.151) 10.509 5.241 ( -5.961 -2.355 -0.406) 6.422 5.380 ( -0.635 3.646 2.788) 4.634 5.418 ( -0.521 0.741 1.001) 1.351 5.484 ( -4.325 -2.771 4.328) 6.717 5.509 ( -5.462 0.685 2.067) 5.880 5.639 ( -6.933 -5.548 -7.175) 11.416 5.743 ( -1.437 -0.799 -0.067) 1.645 6.133 ( 0.973 -2.038 -0.736) 2.375 6.223 ( 5.032 4.511 2.391) 7.168 6.245 ( 7.539 -2.373 -2.406) 8.262 6.354 ( 2.825 0.660 5.587) 6.296 6.482 ( -3.372 7.922 -8.039) 11.779 6.700 ( 1.684 9.258 -1.633) 9.550 6.742 ( -0.564 7.710 4.889) 9.147 6.837 ( 7.040 3.898 -0.022) 8.047 6.968 ( 4.752 1.590 -6.177) 7.954 7.070 ( 10.076 2.976 -1.211) 10.576 7.450 ( -6.629 -1.851 1.860) 7.129 7.602 ( -4.514 -4.899 -1.937) 6.938 7.794 ( -7.880 1.650 3.733) 8.874 8.013 ( -0.014 -4.067 -2.320) 4.682 8.211 ( -5.107 -10.197 3.977) 12.078 8.318 ( 0.559 -13.983 -2.446) 14.206 8.353 ( -6.915 -1.490 -2.137) 7.390 8.708 ( 4.667 0.087 0.577) 4.703 8.731 ( -0.027 -10.994 -0.314) 10.998 8.818 ( 0.123 3.137 1.052) 3.311 9.147 ( -2.001 -2.310 -0.855) 3.174 9.463 ( 7.715 -9.829 1.331) 12.566 9.665 ( 2.612 -7.375 1.825) 8.034 9.751 ( 4.310 -12.321 -3.310) 13.466 10.389 ( -0.293 3.024 1.229) 3.277 10.535 ( -3.081 -0.534 2.556) 4.039 10.590 ( 2.391 0.160 -6.002) 6.463 10.820 ( 4.978 -6.593 -1.234) 8.353 11.604 ( -3.342 17.340 -0.345) 17.662 11.827 ( 6.377 12.763 0.745) 14.287 12.168 ( 0.072 1.365 3.772) 4.012 12.240 ( -1.681 -3.024 -1.704) 3.857 12.393 ( -5.604 2.286 -1.351) 6.202 12.454 ( -5.991 20.085 -0.328) 20.962 12.545 ( 2.013 2.862 2.016) 4.038 12.857 ( 9.298 10.288 2.883) 14.163 13.595 ( -0.729 7.428 1.000) 7.531 13.675 ( 2.038 9.110 -1.192) 9.411 13.834 ( 0.996 13.129 1.507) 13.253 13.925 ( 3.337 8.362 -2.786) 9.425 14.296 ( -3.084 -1.896 0.133) 3.623 14.485 ( 1.536 -6.646 -2.552) 7.282 14.540 ( -1.178 3.490 7.124) 8.020 14.688 ( -1.433 -2.467 -4.953) 5.716 14.894 ( -4.857 1.723 -0.733) 5.206 15.441 ( 11.202 5.679 3.917) 13.156 15.544 ( 7.999 6.318 -2.945) 10.610 15.772 ( 6.107 -8.892 0.895) 10.824 16.270 ( -1.501 -10.793 -0.727) 10.921 16.331 ( 0.010 -8.215 -1.242) 8.308 16.665 ( -1.974 -11.602 4.242) 12.510 16.707 ( -1.079 -12.070 0.268) 12.121 19.628 ( -4.364 7.166 -1.414) 8.509 19.860 ( 3.144 9.307 1.546) 9.945 19.906 ( 1.083 10.407 -0.135) 10.465 20.030 ( -4.099 -0.256 0.663) 4.161 20.120 ( 5.934 7.125 -3.630) 9.957 20.337 ( 6.212 0.617 -1.342) 6.386 20.644 ( -5.372 -3.069 18.267) 19.287 20.762 ( -3.517 -2.228 1.680) 4.489 20.801 ( 1.004 3.137 2.792) 4.318 20.899 ( -0.033 0.362 -0.264) 0.449 21.263 ( -6.905 -7.904 -15.974) 19.113 21.678 ( 7.403 -11.884 -3.500) 14.432 22.037 ( 0.507 -0.286 2.504) 2.571 22.098 ( -1.183 -1.303 2.212) 2.827 22.126 ( -0.874 -0.711 -3.355) 3.539 22.193 ( -1.686 -1.156 -3.848) 4.357 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -2.945 17.499 10.377) 20.556 0.897 ( -7.611 17.077 8.334) 20.470 1.200 ( 3.999 -1.408 0.835) 4.321 1.267 ( 3.821 10.526 0.624) 11.215 1.465 ( -2.303 20.295 4.158) 20.844 1.510 ( -3.024 4.698 0.812) 5.646 1.597 ( 1.498 2.528 -0.995) 3.102 1.697 ( 0.676 -0.935 0.125) 1.160 1.752 ( -2.966 -0.362 2.002) 3.597 1.810 ( -1.722 12.671 -1.248) 12.848 1.872 ( -0.290 6.502 -1.536) 6.687 1.916 ( -0.710 1.628 -0.233) 1.792 1.985 ( -3.720 3.897 0.796) 5.446 2.064 ( -3.235 4.009 -0.945) 5.237 2.109 ( -2.708 0.873 5.346) 6.056 2.294 ( 1.621 -0.529 -2.145) 2.740 2.416 ( 1.726 -0.078 -2.497) 3.036 2.492 ( 5.835 1.091 0.308) 5.944 2.551 ( 4.516 1.056 -3.915) 6.069 2.628 ( -0.633 0.009 0.126) 0.646 2.804 ( 0.922 0.324 -2.775) 2.942 2.958 ( 1.689 -0.656 4.168) 4.544 2.981 ( -1.838 -0.357 1.310) 2.285 3.073 ( 1.749 -5.985 -7.493) 9.748 3.106 ( 4.058 -6.916 3.912) 8.922 3.137 ( 0.549 -8.345 0.213) 8.365 3.243 ( -3.148 -3.701 -0.138) 4.861 3.304 ( 1.446 -3.555 2.282) 4.465 3.380 ( 0.911 1.880 -0.758) 2.222 3.402 ( -0.180 -1.301 -0.113) 1.319 3.739 ( -0.491 -6.073 -1.528) 6.281 3.859 ( 2.907 -1.657 1.182) 3.549 3.935 ( 1.484 10.578 -6.445) 12.476 4.069 ( 0.330 7.845 1.137) 7.934 4.129 ( -0.977 4.715 0.021) 4.815 4.142 ( -3.115 3.347 5.768) 7.360 4.372 ( -1.826 8.184 0.833) 8.426 4.477 ( 1.212 3.268 -3.213) 4.740 4.497 ( -7.051 0.089 -2.504) 7.483 4.571 ( 0.260 2.260 -0.419) 2.313 4.598 ( -3.245 -1.555 6.809) 7.701 4.772 ( -3.181 5.270 4.363) 7.545 4.807 ( -3.373 7.660 -1.550) 8.512 5.006 ( 0.766 3.342 2.532) 4.263 5.008 ( -4.064 5.822 5.341) 8.885 5.156 ( -4.926 -1.253 0.384) 5.098 5.361 ( -2.165 1.438 -5.965) 6.507 5.415 ( -0.455 3.765 1.898) 4.241 5.449 ( -3.325 3.093 1.874) 4.913 5.496 ( -4.127 -5.510 6.265) 9.308 5.528 ( -5.613 -9.829 6.335) 12.970 5.725 ( -0.986 -3.373 0.513) 3.551 6.157 ( 2.361 3.472 0.092) 4.200 6.276 ( -0.172 -1.350 -1.531) 2.048 6.289 ( 3.099 6.697 -7.904) 10.813 6.374 ( 5.059 6.170 -0.564) 7.998 6.441 ( 1.352 2.614 2.868) 4.109 6.624 ( -6.457 9.708 -1.226) 11.723 6.754 ( -0.889 10.196 -1.042) 10.287 6.999 ( 7.543 -2.587 0.495) 7.990 7.048 ( 14.711 3.629 -1.643) 15.241 7.213 ( 9.428 2.470 1.302) 9.833 7.367 ( -5.005 -0.736 -1.420) 5.254 7.506 ( -7.786 -4.940 0.986) 9.273 7.682 ( -8.520 2.276 -2.551) 9.180 7.996 ( -2.443 -3.699 -1.553) 4.697 8.072 ( -7.691 -2.783 -0.970) 8.236 8.327 ( 1.273 -8.266 -0.136) 8.365 8.330 ( 0.714 -8.078 3.089) 8.677 8.721 ( 0.505 -12.914 -0.611) 12.938 8.758 ( 1.031 -0.352 1.150) 1.584 8.807 ( -2.536 3.265 1.092) 4.276 9.139 ( 0.670 -0.556 0.112) 0.877 9.546 ( 4.018 -11.167 -1.241) 11.933 9.712 ( 2.904 -6.283 -2.441) 7.340 9.798 ( 4.171 -14.006 -0.933) 14.644 10.407 ( -1.175 3.312 4.030) 5.347 10.513 ( -1.256 0.714 -0.681) 1.597 10.582 ( 2.594 1.085 -3.085) 4.174 10.860 ( 3.456 -7.559 -2.075) 8.567 11.567 ( -1.883 18.476 0.679) 18.584 11.912 ( 5.766 9.521 -2.568) 11.423 12.180 ( -1.646 -2.092 -1.786) 3.205 12.199 ( -0.714 -0.671 0.745) 1.231 12.321 ( -2.366 4.358 1.075) 5.074 12.375 ( -4.957 19.564 1.948) 20.276 12.591 ( 0.367 0.988 0.824) 1.338 12.970 ( 5.864 3.298 -3.757) 7.706 13.596 ( -0.665 6.890 0.399) 6.934 13.692 ( 1.891 9.319 -0.746) 9.539 13.861 ( 0.412 14.311 1.745) 14.423 13.977 ( 4.704 4.134 0.713) 6.302 14.238 ( -3.074 -0.228 -0.521) 3.127 14.508 ( -2.412 -3.792 -7.201) 8.489 14.547 ( 2.796 -1.415 3.807) 4.931 14.632 ( -1.902 1.018 2.804) 3.538 14.852 ( -2.234 -1.195 1.371) 2.881 15.431 ( -2.755 -0.168 -2.290) 3.586 15.848 ( 5.549 -9.088 -0.462) 10.658 15.881 ( 25.226 6.738 -1.099) 26.134 16.249 ( -1.083 -11.488 0.753) 11.563 16.312 ( -2.903 -7.740 -0.143) 8.268 16.630 ( -3.715 -7.684 -2.735) 8.962 16.696 ( -0.875 -14.017 -0.290) 14.048 19.577 ( -2.489 7.534 0.979) 7.995 19.889 ( 1.629 7.117 -4.792) 8.733 19.949 ( 2.365 10.153 0.026) 10.425 19.995 ( -1.445 1.449 4.739) 5.162 20.195 ( 3.999 5.435 3.227) 7.479 20.407 ( 4.416 -0.179 0.126) 4.422 20.599 ( -4.135 -2.703 -20.066) 20.665 20.726 ( -4.058 -2.999 -0.846) 5.117 20.817 ( 0.165 5.071 -1.011) 5.173 20.887 ( 0.170 1.681 -1.412) 2.202 21.134 ( -5.606 -6.283 21.121) 22.737 21.749 ( 4.489 -12.812 0.498) 13.584 22.068 ( -0.935 -0.630 1.983) 2.281 22.092 ( 0.231 -0.185 -1.065) 1.105 22.102 ( -0.769 -1.006 0.490) 1.357 22.137 ( -1.334 -0.528 -0.817) 1.651 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -5.945 17.252 8.112) 19.970 1.226 ( -5.280 13.899 6.174) 16.099 1.263 ( 1.133 3.855 3.515) 5.338 1.512 ( -2.162 6.086 0.010) 6.459 1.560 ( 2.128 6.550 -0.028) 6.887 1.630 ( 1.378 0.318 -0.925) 1.690 1.667 ( -1.060 1.759 -0.733) 2.181 1.718 ( -1.413 -0.054 3.891) 4.140 1.831 ( -0.405 6.444 -4.490) 7.865 1.860 ( 1.303 -4.619 -0.445) 4.820 1.951 ( -2.177 3.635 4.651) 6.291 1.966 ( 0.581 0.039 -0.597) 0.834 2.038 ( 0.595 5.084 -0.222) 5.124 2.114 ( -0.492 1.000 -0.035) 1.115 2.193 ( 0.117 1.101 6.097) 6.196 2.252 ( 0.503 0.271 -3.842) 3.885 2.421 ( -0.546 2.514 -0.465) 2.615 2.510 ( -1.136 2.034 -3.707) 4.379 2.582 ( 3.080 1.016 -0.068) 3.244 2.645 ( -0.892 0.808 -0.030) 1.204 2.759 ( -0.904 1.752 -5.149) 5.514 2.835 ( -1.187 -4.241 -6.711) 8.027 2.928 ( -0.168 -5.434 3.886) 6.682 2.969 ( -0.220 -7.944 2.976) 8.487 3.035 ( -0.696 -2.918 0.475) 3.037 3.124 ( -0.504 5.371 7.920) 9.583 3.259 ( 0.362 -4.275 -1.435) 4.524 3.271 ( 1.159 -3.575 1.085) 3.912 3.275 ( 0.006 1.577 -2.457) 2.920 3.493 ( 0.732 6.053 -4.235) 7.424 3.597 ( 0.473 -4.800 2.313) 5.349 3.846 ( 0.122 -7.592 4.006) 8.585 4.007 ( 0.668 9.778 -10.395) 14.287 4.141 ( -0.003 3.109 -1.676) 3.533 4.234 ( -2.899 1.479 0.860) 3.366 4.258 ( -1.893 7.519 3.684) 8.584 4.425 ( -0.781 2.689 -6.811) 7.364 4.485 ( -1.627 1.891 6.346) 6.818 4.510 ( -0.650 -0.461 0.008) 0.797 4.610 ( -1.677 9.250 7.346) 11.931 4.788 ( -2.778 4.304 5.524) 7.534 4.811 ( 2.303 1.323 -5.123) 5.771 4.980 ( 0.088 -6.051 1.738) 6.296 5.013 ( -1.332 5.637 9.708) 11.305 5.131 ( 0.899 0.947 3.523) 3.757 5.174 ( -0.233 2.640 0.159) 2.655 5.315 ( 0.382 0.838 -1.582) 1.830 5.343 ( -2.722 -2.855 1.844) 4.354 5.383 ( -0.528 -2.140 5.467) 5.895 5.538 ( 0.017 4.776 3.820) 6.116 5.625 ( -1.903 -4.941 5.053) 7.318 5.705 ( -3.041 3.571 11.660) 12.568 6.209 ( -0.280 -1.155 -5.019) 5.158 6.243 ( 1.258 -0.840 -3.078) 3.430 6.267 ( 1.454 3.365 -7.408) 8.265 6.389 ( 1.917 -4.009 -6.133) 7.573 6.643 ( 1.151 12.384 -0.950) 12.474 6.774 ( 1.121 9.503 -4.892) 10.747 6.885 ( 1.075 8.885 -2.605) 9.321 7.131 ( -0.258 4.396 1.566) 4.674 7.224 ( 0.219 -8.652 -1.086) 8.723 7.312 ( -0.875 5.508 0.840) 5.640 7.321 ( 1.549 3.672 1.158) 4.150 7.411 ( 0.652 4.900 1.770) 5.251 7.541 ( -0.159 -3.256 -4.821) 5.819 7.750 ( 0.877 -11.208 -6.136) 12.808 7.946 ( 0.518 -9.970 2.613) 10.320 8.109 ( 0.130 -13.356 0.708) 13.375 8.420 ( 0.004 4.041 9.353) 10.189 8.558 ( 0.148 -3.931 4.578) 6.036 8.860 ( -0.664 4.271 -1.823) 4.691 8.875 ( 0.078 8.064 -0.585) 8.086 9.101 ( 0.342 -3.783 -0.598) 3.845 9.345 ( 0.370 -9.738 -1.126) 9.810 9.487 ( 1.006 -12.706 -3.372) 13.184 9.538 ( -0.268 -10.714 -3.980) 11.432 10.487 ( -0.968 0.285 -0.225) 1.034 10.493 ( -1.486 0.496 2.435) 2.896 10.599 ( 2.784 2.300 -4.426) 5.712 10.752 ( 1.954 -3.799 -2.820) 5.119 11.876 ( -0.412 10.916 -0.102) 10.924 12.038 ( 1.097 4.200 -3.815) 5.779 12.105 ( 0.181 -2.707 -0.435) 2.748 12.138 ( -0.639 -2.558 -1.497) 3.032 12.394 ( 0.454 5.252 3.987) 6.609 12.623 ( -1.037 4.208 -1.113) 4.475 12.683 ( -0.048 4.725 4.850) 6.771 12.968 ( -0.265 -1.565 -0.313) 1.618 13.779 ( -0.271 11.959 -0.027) 11.962 13.890 ( 0.266 8.741 -1.343) 8.848 14.027 ( 0.158 -0.227 1.126) 1.160 14.237 ( -0.866 17.511 2.158) 17.665 14.273 ( -0.740 -5.771 -5.898) 8.285 14.353 ( 0.754 9.045 3.937) 9.894 14.618 ( 0.979 -1.744 6.784) 7.072 14.800 ( -0.007 -2.193 0.671) 2.293 14.836 ( -0.457 16.551 0.342) 16.561 15.367 ( 0.401 1.139 -8.309) 8.397 15.713 ( -0.486 -4.775 4.133) 6.334 15.933 ( 0.000 -16.026 -0.359) 16.030 16.114 ( -4.270 -7.142 3.237) 8.929 16.127 ( 4.333 1.317 -6.116) 7.610 16.278 ( -0.276 -18.695 -6.804) 19.896 16.476 ( 0.308 -7.488 -2.148) 7.796 19.722 ( -0.724 6.384 2.472) 6.884 19.897 ( -0.923 0.069 1.021) 1.378 20.033 ( 0.440 6.789 -7.050) 9.797 20.218 ( 0.006 5.871 1.020) 5.959 20.340 ( 1.753 1.182 -9.323) 9.560 20.389 ( -0.622 4.380 5.540) 7.089 20.464 ( 0.487 0.929 3.486) 3.640 20.614 ( -0.976 -1.039 -3.140) 3.449 20.888 ( 0.037 3.641 -2.818) 4.604 20.936 ( 0.318 4.681 -2.260) 5.208 21.172 ( -0.434 -11.217 14.531) 18.362 21.521 ( 0.611 -14.301 0.478) 14.322 22.056 ( -2.295 -0.262 1.108) 2.562 22.062 ( -1.928 -0.667 0.596) 2.125 22.116 ( 1.414 -0.027 -0.589) 1.532 22.122 ( 3.095 -0.194 -0.339) 3.120 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -10.919 12.273 6.165) 17.546 1.252 ( -4.504 9.344 8.867) 13.647 1.362 ( 0.440 4.304 7.596) 8.742 1.485 ( -1.558 6.978 0.452) 7.164 1.559 ( -1.094 7.558 -3.119) 8.249 1.599 ( -2.038 2.240 -2.195) 3.740 1.650 ( 1.413 2.429 -2.354) 3.666 1.730 ( -0.717 0.866 -1.214) 1.654 1.795 ( -1.076 0.673 1.599) 2.041 1.886 ( -2.853 4.916 0.329) 5.694 1.930 ( 3.983 -2.665 1.790) 5.116 1.985 ( -0.931 -1.193 -0.147) 1.521 2.060 ( 0.353 2.326 -1.224) 2.652 2.138 ( -2.841 -0.799 4.353) 5.259 2.168 ( -0.533 2.134 -3.953) 4.523 2.264 ( 0.694 0.823 1.390) 1.759 2.382 ( -2.467 5.281 -1.486) 6.015 2.504 ( 0.835 3.245 2.715) 4.313 2.546 ( -1.691 1.063 -3.206) 3.778 2.634 ( 2.751 2.283 -3.297) 4.863 2.698 ( -0.884 1.014 -1.256) 1.840 2.766 ( 1.511 -0.091 -3.080) 3.432 2.972 ( -1.284 -4.799 4.595) 6.767 3.015 ( -0.252 -5.425 3.660) 6.550 3.079 ( 3.234 -3.970 2.420) 5.664 3.201 ( -2.743 2.414 1.275) 3.870 3.223 ( -0.844 -3.569 -1.048) 3.814 3.262 ( 1.377 -0.617 2.220) 2.684 3.294 ( 2.730 -4.039 -0.744) 4.931 3.463 ( 0.861 5.315 -2.590) 5.975 3.624 ( -0.308 -1.125 1.539) 1.931 3.795 ( -2.552 1.315 -7.370) 7.910 3.987 ( -0.267 -0.498 6.309) 6.335 4.143 ( 1.177 2.352 0.004) 2.630 4.183 ( -0.547 -1.156 -6.185) 6.316 4.281 ( 1.757 1.132 -6.800) 7.114 4.327 ( -0.244 11.526 2.986) 11.909 4.493 ( -0.149 4.427 -1.548) 4.693 4.554 ( -0.649 2.324 5.490) 5.997 4.689 ( -0.593 4.736 3.042) 5.660 4.763 ( -0.296 4.245 3.307) 5.389 4.886 ( -4.213 -1.709 5.385) 7.047 4.951 ( 0.120 1.757 -0.562) 1.848 5.162 ( -0.718 1.012 6.465) 6.583 5.179 ( 3.421 3.266 4.033) 6.215 5.219 ( 3.560 -1.150 3.869) 5.382 5.319 ( 2.887 2.648 -1.829) 4.324 5.351 ( 0.779 -0.448 -0.316) 0.953 5.439 ( -3.133 1.113 5.264) 6.225 5.543 ( -2.830 5.120 0.092) 5.851 5.689 ( -0.003 -5.061 5.083) 7.173 5.850 ( -2.216 -0.839 13.406) 13.614 6.049 ( -2.061 -1.606 -13.281) 13.536 6.181 ( -1.760 -1.140 -1.687) 2.691 6.241 ( -2.084 -2.516 -3.206) 4.577 6.310 ( -0.216 -3.264 -2.872) 4.353 6.646 ( 3.749 11.124 -2.868) 12.084 6.732 ( 4.532 7.541 -6.875) 11.166 6.912 ( 0.926 9.933 3.371) 10.530 7.011 ( -6.970 5.976 -3.252) 9.740 7.252 ( -0.098 -1.860 1.999) 2.732 7.320 ( -2.565 4.700 2.883) 6.081 7.388 ( 5.253 0.974 0.377) 5.356 7.414 ( 0.044 2.108 -1.704) 2.711 7.552 ( 7.564 -4.795 -2.274) 9.240 7.700 ( 4.108 -7.552 -6.796) 10.959 8.007 ( 0.937 -11.867 3.624) 12.443 8.096 ( -1.017 -12.702 -1.334) 12.812 8.521 ( -4.042 3.722 9.457) 10.937 8.650 ( 0.797 -0.808 5.512) 5.628 8.802 ( -3.881 5.123 -4.287) 7.726 8.819 ( -0.914 3.626 -5.380) 6.552 9.128 ( -0.148 -4.465 4.045) 6.027 9.277 ( -3.834 -8.217 -4.030) 9.922 9.444 ( 0.044 -9.557 -1.526) 9.678 9.522 ( 4.076 -12.026 -2.391) 12.921 10.460 ( 0.492 1.092 -1.573) 1.977 10.508 ( -1.437 0.752 2.562) 3.032 10.608 ( 4.295 0.575 -1.650) 4.637 10.737 ( 1.641 -3.002 -2.810) 4.427 11.873 ( -1.063 7.627 1.423) 7.831 11.981 ( -0.167 5.993 -4.800) 7.680 12.079 ( -2.507 -3.753 -1.289) 4.693 12.125 ( 0.654 -3.223 -1.221) 3.508 12.478 ( 2.003 5.250 4.836) 7.414 12.583 ( -0.477 5.496 -2.663) 6.126 12.773 ( 0.849 4.668 6.723) 8.229 12.943 ( -0.297 2.049 -2.755) 3.446 13.785 ( -0.217 11.817 1.220) 11.882 13.859 ( -0.844 9.725 -2.482) 10.072 14.062 ( 0.959 -0.228 2.999) 3.156 14.184 ( -0.950 -3.091 -3.804) 4.993 14.254 ( -1.373 16.584 2.499) 16.828 14.407 ( 2.084 12.793 -1.059) 13.005 14.711 ( -0.632 -1.832 6.580) 6.859 14.767 ( -2.996 -0.687 1.580) 3.456 14.926 ( 5.331 8.694 3.713) 10.853 15.229 ( 0.187 1.030 -12.505) 12.549 15.742 ( -4.053 -0.758 3.904) 5.678 15.855 ( -9.434 -2.355 -2.121) 9.953 16.034 ( 2.744 -9.235 -0.617) 9.654 16.165 ( 1.573 -16.128 -6.394) 17.420 16.241 ( 0.885 -11.555 4.776) 12.535 16.436 ( 0.487 -9.021 -4.669) 10.169 19.774 ( 1.746 5.510 3.821) 6.929 19.920 ( 0.933 1.025 2.331) 2.712 19.951 ( 1.126 7.010 -5.487) 8.973 20.171 ( 3.276 0.997 -8.281) 8.962 20.319 ( -3.372 6.219 4.480) 8.373 20.425 ( -3.929 4.302 3.843) 6.980 20.490 ( -3.128 2.742 3.120) 5.199 20.556 ( 1.381 0.502 -6.398) 6.565 20.851 ( -0.587 3.885 -1.184) 4.103 20.902 ( 0.645 4.579 -3.140) 5.590 21.351 ( 0.437 -15.298 10.213) 18.399 21.521 ( -0.506 -15.196 -0.467) 15.212 22.029 ( -2.625 -0.215 0.385) 2.661 22.038 ( -1.893 -0.399 0.017) 1.935 22.150 ( 3.249 -0.164 0.390) 3.276 22.175 ( 4.201 -1.131 -0.011) 4.351 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -9.238 9.627 3.076) 13.692 1.329 ( -3.803 6.585 9.248) 11.973 1.413 ( -6.662 5.546 3.122) 9.213 1.480 ( -1.354 4.868 -1.255) 5.206 1.495 ( -0.626 7.239 2.482) 7.679 1.583 ( 1.724 5.131 1.165) 5.537 1.609 ( 0.800 4.429 -4.466) 6.340 1.696 ( -0.230 0.824 -1.775) 1.970 1.790 ( -3.296 2.731 2.205) 4.814 1.835 ( -4.055 4.112 -1.383) 5.938 1.956 ( -1.983 -2.399 0.770) 3.207 2.012 ( 3.290 -1.768 -4.891) 6.154 2.050 ( -1.521 -1.949 -1.040) 2.682 2.078 ( 2.451 0.579 2.202) 3.346 2.199 ( -2.981 -0.021 4.943) 5.773 2.263 ( 0.801 0.702 -0.654) 1.250 2.345 ( -1.672 2.747 -0.680) 3.287 2.462 ( -1.885 2.388 -0.883) 3.168 2.605 ( 1.691 1.194 1.127) 2.357 2.628 ( 1.767 2.849 -1.632) 3.729 2.709 ( 1.744 -0.908 3.059) 3.637 2.760 ( 2.269 1.743 -2.351) 3.703 3.015 ( -0.929 -2.949 2.843) 4.200 3.042 ( -0.830 -3.528 0.734) 3.698 3.126 ( 1.154 0.893 -3.066) 3.395 3.166 ( -0.059 0.380 1.815) 1.855 3.232 ( 0.520 -5.134 1.462) 5.364 3.269 ( 0.667 -2.663 -0.965) 2.910 3.378 ( 2.911 -0.483 3.168) 4.329 3.433 ( 1.894 2.620 -4.094) 5.217 3.631 ( -2.761 1.135 1.614) 3.394 3.672 ( -2.540 -0.590 -3.175) 4.109 4.058 ( -0.361 -1.615 -8.856) 9.009 4.090 ( -1.528 -0.724 9.028) 9.185 4.180 ( 1.006 2.747 2.973) 4.171 4.203 ( 1.323 3.871 -3.570) 5.430 4.431 ( 2.801 7.156 4.794) 9.057 4.483 ( 0.997 6.849 -1.486) 7.079 4.606 ( -0.838 3.476 3.974) 5.346 4.702 ( 2.455 2.734 -1.318) 3.903 4.790 ( -7.265 3.612 0.533) 8.130 4.835 ( -1.930 4.658 4.793) 6.957 5.003 ( 0.645 0.810 2.980) 3.154 5.163 ( -1.080 0.453 -0.636) 1.333 5.287 ( 1.356 2.080 -5.437) 5.977 5.320 ( 1.806 3.302 3.781) 5.335 5.336 ( 2.427 -1.078 5.744) 6.328 5.367 ( 3.468 1.693 -2.151) 4.418 5.436 ( -0.799 3.182 -0.646) 3.343 5.491 ( -3.626 3.323 1.330) 5.095 5.745 ( -1.753 -6.217 5.331) 8.375 5.856 ( -2.217 -5.425 -8.312) 10.171 5.959 ( -3.796 0.029 7.570) 8.468 6.131 ( -3.775 -3.634 -0.157) 5.242 6.169 ( -0.461 -0.727 -2.975) 3.097 6.281 ( -0.168 -3.943 -2.944) 4.924 6.689 ( 4.935 11.355 -0.984) 12.420 6.730 ( 4.199 10.872 -2.484) 11.917 6.921 ( 0.048 8.507 -1.150) 8.585 6.964 ( 2.251 8.974 0.057) 9.252 7.236 ( -6.303 5.392 0.115) 8.296 7.290 ( -5.612 6.021 1.254) 8.326 7.427 ( 5.019 -3.797 -0.179) 6.296 7.466 ( 4.351 -2.923 0.379) 5.255 7.662 ( 7.987 -9.208 1.108) 12.239 7.687 ( 6.086 -7.090 -4.260) 10.269 8.050 ( -0.269 -13.601 0.901) 13.633 8.057 ( -0.696 -13.444 -1.299) 13.524 8.567 ( -4.624 5.741 2.846) 7.902 8.594 ( -6.266 5.417 -4.049) 9.220 8.727 ( -2.675 -0.417 3.422) 4.364 8.747 ( -1.775 1.502 -2.539) 3.443 9.165 ( -1.382 -5.135 2.010) 5.685 9.184 ( -1.553 -4.972 -2.420) 5.744 9.480 ( 2.312 -10.852 1.958) 11.267 9.550 ( 3.989 -11.450 -2.152) 12.314 10.464 ( 1.857 2.182 -0.776) 2.968 10.538 ( -0.566 0.258 3.369) 3.426 10.650 ( 4.433 -0.291 -1.954) 4.853 10.724 ( 1.982 -1.660 -3.018) 3.974 11.890 ( -1.527 5.653 2.156) 6.240 11.903 ( -0.896 5.188 -3.409) 6.272 12.044 ( -1.218 -2.612 0.983) 3.045 12.098 ( -1.723 -3.908 -0.861) 4.357 12.545 ( 0.800 5.660 -2.357) 6.183 12.563 ( 1.067 4.997 3.278) 6.071 12.870 ( 0.362 5.221 5.714) 7.749 12.888 ( 0.241 4.609 -5.120) 6.893 13.797 ( -0.909 10.853 1.512) 10.996 13.814 ( -0.767 10.073 -1.669) 10.239 14.127 ( 1.311 -2.595 1.759) 3.398 14.140 ( 1.066 -2.330 -1.962) 3.227 14.293 ( -0.687 19.474 6.339) 20.491 14.362 ( -0.778 17.386 -5.951) 18.393 14.750 ( 0.070 -1.742 -2.438) 2.997 14.786 ( -0.668 -3.038 4.443) 5.423 15.043 ( 0.889 5.645 0.808) 5.772 15.076 ( 1.610 3.454 -3.315) 5.051 15.682 ( -7.260 1.505 0.945) 7.474 15.734 ( -5.770 1.784 -0.058) 6.040 16.097 ( 2.108 -14.764 0.754) 14.933 16.121 ( 2.736 -15.174 -1.377) 15.480 16.311 ( -0.488 -10.468 2.068) 10.682 16.382 ( 0.804 -11.099 -2.163) 11.336 19.845 ( 1.860 5.114 1.556) 5.660 19.929 ( 2.610 6.297 -1.623) 7.007 20.004 ( 2.785 0.180 6.309) 6.898 20.115 ( 3.921 1.057 -7.212) 8.277 20.327 ( -4.308 5.626 3.303) 7.818 20.366 ( -4.168 5.392 -3.182) 7.521 20.463 ( -3.283 2.344 -1.599) 4.339 20.493 ( -3.274 2.467 2.527) 4.816 20.847 ( 0.043 4.345 0.751) 4.409 20.885 ( 1.393 4.156 -1.300) 4.572 21.445 ( -0.576 -14.660 3.608) 15.109 21.495 ( 0.231 -14.937 -2.962) 15.230 22.003 ( -1.866 0.080 0.633) 1.972 22.015 ( -1.290 -0.607 0.377) 1.475 22.201 ( 3.001 -0.979 -0.225) 3.165 22.228 ( 3.779 -2.229 -0.892) 4.477 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -5.435 10.655 1.437) 12.047 1.287 ( -4.110 11.541 -2.910) 12.592 1.391 ( -5.350 2.652 2.874) 6.626 1.457 ( -0.173 7.497 -3.343) 8.210 1.510 ( -2.133 7.266 7.252) 10.485 1.608 ( -0.035 3.571 4.145) 5.471 1.665 ( 3.268 2.947 -0.224) 4.406 1.689 ( 0.531 3.550 0.758) 3.669 1.736 ( -3.936 2.935 -0.953) 5.001 1.792 ( -1.633 2.154 3.822) 4.681 1.940 ( 0.443 -0.094 -2.676) 2.714 1.978 ( 1.912 -3.260 -0.962) 3.900 2.044 ( -0.322 -3.082 -0.433) 3.129 2.138 ( -1.139 -0.310 2.454) 2.724 2.196 ( 0.384 -3.014 -0.557) 3.089 2.270 ( -1.636 -0.768 1.368) 2.267 2.352 ( 2.634 3.917 0.727) 4.776 2.431 ( -3.311 1.701 0.891) 3.828 2.608 ( 1.270 -0.763 -1.150) 1.875 2.626 ( 0.615 1.546 -1.859) 2.495 2.732 ( -0.647 -0.351 -0.478) 0.878 2.815 ( 1.726 0.257 3.698) 4.089 2.997 ( -1.972 -2.168 -2.267) 3.705 3.010 ( -0.955 -1.075 -3.289) 3.590 3.091 ( 1.474 1.615 -2.858) 3.598 3.208 ( 0.128 2.291 1.505) 2.745 3.250 ( 0.657 -3.401 1.169) 3.656 3.279 ( -0.575 -2.128 1.398) 2.610 3.387 ( 1.502 -0.572 -5.251) 5.492 3.452 ( 2.723 -0.723 0.127) 2.820 3.568 ( -1.711 -2.377 -2.557) 3.888 3.660 ( -2.285 -3.104 2.620) 4.661 3.969 ( 1.524 4.234 -3.612) 5.770 4.164 ( -0.317 2.732 3.451) 4.412 4.247 ( -0.034 1.154 8.122) 8.204 4.261 ( -0.401 4.767 7.197) 8.642 4.456 ( -0.171 5.571 -4.002) 6.861 4.471 ( 0.053 7.418 -1.715) 7.614 4.651 ( -2.343 5.668 1.160) 6.242 4.693 ( -0.748 2.493 5.138) 5.760 4.776 ( 2.915 5.574 1.063) 6.379 4.833 ( -6.977 4.543 3.623) 9.080 5.027 ( -0.791 0.624 0.496) 1.123 5.124 ( -0.448 0.934 -3.451) 3.603 5.243 ( 2.678 4.267 -4.875) 7.010 5.314 ( 0.912 1.738 -2.544) 3.213 5.365 ( -0.502 -0.167 0.011) 0.529 5.417 ( -1.477 2.691 0.782) 3.168 5.463 ( -0.122 -1.983 5.386) 5.741 5.503 ( 0.961 1.101 2.211) 2.650 5.762 ( -1.981 -5.177 0.803) 5.601 5.817 ( 1.380 -8.511 4.123) 9.557 5.946 ( -5.335 2.081 0.786) 5.780 6.078 ( -1.884 -2.149 -1.460) 3.209 6.133 ( 1.543 -0.870 -3.354) 3.793 6.228 ( 1.307 -3.485 -5.084) 6.301 6.729 ( 2.366 12.150 0.193) 12.380 6.769 ( 1.647 12.574 1.032) 12.723 6.977 ( 4.938 8.843 1.028) 10.181 6.981 ( 3.071 8.678 -3.433) 9.824 7.104 ( -5.279 3.755 -4.645) 7.971 7.218 ( -4.637 8.974 -0.237) 10.104 7.484 ( 1.977 -1.349 0.553) 2.456 7.504 ( 0.685 -7.725 -0.659) 7.783 7.765 ( 4.320 -8.757 2.004) 9.968 7.777 ( 3.722 -11.368 2.858) 12.299 8.006 ( -0.277 -12.505 -3.544) 13.000 8.062 ( -0.209 -16.499 -0.170) 16.501 8.464 ( 2.286 8.190 -1.763) 8.684 8.587 ( -5.383 4.536 4.794) 8.516 8.694 ( -0.603 -0.504 -0.470) 0.915 8.747 ( -2.282 0.865 3.574) 4.328 9.138 ( 0.266 -3.374 -1.804) 3.836 9.180 ( -0.850 -4.979 1.283) 5.211 9.486 ( 0.243 -11.474 -3.608) 12.031 9.578 ( 1.852 -11.111 -1.082) 11.317 10.468 ( 0.937 2.698 -2.030) 3.504 10.550 ( -2.698 -0.529 1.358) 3.067 10.679 ( 3.841 -0.719 -2.409) 4.591 10.703 ( 1.993 -1.247 -4.473) 5.054 11.833 ( -0.509 4.910 -1.570) 5.179 11.949 ( 0.182 5.087 4.774) 6.979 12.044 ( -1.187 -2.122 0.908) 2.595 12.105 ( -0.218 -2.538 4.546) 5.212 12.531 ( 1.528 4.294 -1.844) 4.917 12.602 ( -1.065 5.300 1.935) 5.742 12.818 ( 0.378 4.639 -5.372) 7.108 12.927 ( -0.276 5.394 2.365) 5.896 13.801 ( -1.293 10.735 1.330) 10.894 13.805 ( 0.626 9.671 0.692) 9.716 14.107 ( 1.830 1.109 -3.698) 4.272 14.155 ( -1.644 -0.531 -1.045) 2.019 14.264 ( -1.443 15.227 -2.063) 15.434 14.418 ( 1.637 14.609 8.210) 16.837 14.666 ( 0.229 -1.845 -9.713) 9.889 14.782 ( -1.004 -1.136 -2.431) 2.865 15.045 ( 3.402 9.004 2.844) 10.037 15.182 ( -1.220 1.875 9.849) 10.100 15.593 ( -4.181 3.347 -1.973) 5.708 15.672 ( -1.906 1.296 -0.640) 2.392 16.088 ( 0.962 -12.999 -2.285) 13.233 16.193 ( 0.412 -13.780 3.245) 14.163 16.272 ( 0.049 -13.214 -2.493) 13.447 16.423 ( 0.259 -12.149 3.949) 12.777 19.870 ( 0.784 5.756 -0.406) 5.824 19.959 ( 1.031 5.066 1.531) 5.391 20.074 ( -0.117 -0.406 -1.133) 1.210 20.138 ( 1.981 2.550 -0.095) 3.230 20.206 ( -1.230 3.778 -3.618) 5.374 20.353 ( 0.041 5.792 -0.009) 5.792 20.405 ( -1.380 2.390 -0.298) 2.776 20.530 ( -2.835 2.355 9.577) 10.261 20.859 ( -0.489 3.569 1.142) 3.779 20.898 ( 1.153 4.171 0.242) 4.334 21.418 ( -1.256 -13.386 -4.854) 14.294 21.466 ( 1.283 -13.218 -3.398) 13.708 21.992 ( -0.991 0.298 0.888) 1.364 22.019 ( -0.650 -1.028 2.037) 2.373 22.215 ( 1.286 -1.123 -2.320) 2.881 22.248 ( 1.981 -2.646 -2.337) 4.048 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.293 13.471 1.430) 13.608 1.209 ( -2.813 13.113 -1.249) 13.469 1.318 ( -2.761 8.231 -2.722) 9.099 1.445 ( 1.455 9.111 -0.020) 9.227 1.585 ( -2.118 7.561 4.459) 9.030 1.621 ( -2.806 2.050 3.320) 4.807 1.651 ( 0.585 2.319 -0.145) 2.396 1.733 ( 0.432 -1.894 3.100) 3.659 1.754 ( 2.181 4.208 0.040) 4.740 1.834 ( -0.709 0.616 3.161) 3.298 1.941 ( 3.965 -1.293 -1.388) 4.395 1.997 ( 0.573 -0.862 -1.680) 1.973 2.022 ( -2.643 -2.870 3.495) 5.238 2.168 ( -0.318 -3.391 3.063) 4.581 2.177 ( -1.407 -1.261 -0.661) 2.002 2.263 ( 0.125 0.594 -1.048) 1.211 2.363 ( 0.018 3.181 -1.073) 3.357 2.425 ( 2.543 3.034 -1.200) 4.136 2.592 ( -1.435 2.887 -1.361) 3.500 2.625 ( 0.820 -1.953 0.322) 2.142 2.736 ( -1.284 -1.786 4.102) 4.654 2.856 ( -0.709 -1.968 1.640) 2.658 2.923 ( -0.964 -3.506 -4.313) 5.641 2.947 ( -0.470 -1.112 -3.713) 3.904 3.098 ( 2.854 1.091 -1.392) 3.358 3.187 ( -0.917 2.382 -3.556) 4.378 3.258 ( -4.109 -1.588 0.313) 4.416 3.286 ( -0.605 -1.229 2.784) 3.103 3.339 ( -0.725 -1.056 -1.042) 1.651 3.471 ( 2.072 2.237 -1.595) 3.441 3.545 ( 2.240 -6.261 -1.603) 6.840 3.657 ( 3.226 -8.819 -3.934) 10.181 4.012 ( 0.434 11.136 7.140) 13.235 4.195 ( -0.487 4.987 1.934) 5.371 4.335 ( -2.045 9.554 0.379) 9.778 4.346 ( -1.759 0.483 5.708) 5.992 4.402 ( -1.104 4.068 3.213) 5.300 4.449 ( 1.151 9.061 1.352) 9.234 4.637 ( -4.169 3.351 3.733) 6.523 4.729 ( -5.325 7.374 2.090) 9.333 4.779 ( -3.161 2.966 0.481) 4.361 4.837 ( 1.247 2.413 2.352) 3.593 4.999 ( -2.429 0.796 -0.547) 2.614 5.055 ( 0.577 1.808 -6.448) 6.722 5.194 ( -0.249 3.614 -3.223) 4.848 5.311 ( -4.806 -0.564 -2.292) 5.354 5.346 ( -0.449 -2.532 1.994) 3.254 5.404 ( -3.092 -0.036 3.636) 4.773 5.462 ( -1.100 0.083 -2.059) 2.336 5.561 ( -3.675 -1.252 6.037) 7.177 5.749 ( -4.294 -3.204 1.349) 5.525 5.824 ( -6.228 3.297 -3.804) 8.008 5.977 ( 10.444 -10.092 5.187) 15.421 6.073 ( 4.120 -3.150 -0.288) 5.195 6.132 ( 3.699 -0.136 -1.807) 4.119 6.204 ( 5.981 -2.432 -5.448) 8.448 6.768 ( -0.400 12.812 0.516) 12.829 6.797 ( 0.238 9.903 3.108) 10.382 6.904 ( -2.826 8.083 -3.603) 9.290 7.029 ( 0.099 8.585 0.303) 8.591 7.052 ( 7.174 4.334 -6.491) 10.601 7.160 ( -0.132 10.646 -3.934) 11.350 7.471 ( -3.300 -6.830 -0.437) 7.598 7.513 ( -0.028 -2.532 1.775) 3.092 7.822 ( 0.237 -14.326 2.812) 14.601 7.828 ( -4.344 -3.949 3.850) 7.021 7.977 ( 2.038 -9.415 -1.848) 9.809 8.045 ( 1.276 -16.251 -2.983) 16.572 8.495 ( -5.908 3.705 0.503) 6.992 8.620 ( 8.620 4.955 2.773) 10.322 8.691 ( -4.560 -1.281 1.901) 5.104 8.798 ( 4.138 2.031 3.336) 5.690 9.118 ( -1.220 -3.026 -1.058) 3.430 9.199 ( 2.747 -5.795 0.405) 6.426 9.436 ( 0.276 -10.684 -1.880) 10.852 9.558 ( 0.605 -10.991 -3.914) 11.683 10.444 ( 0.324 2.518 -1.954) 3.204 10.523 ( -2.693 -0.920 1.258) 3.111 10.644 ( 1.134 -0.983 -6.083) 6.266 10.701 ( 3.823 -2.387 -2.971) 5.398 11.844 ( 0.482 6.364 2.455) 6.838 12.002 ( 0.837 7.890 0.830) 7.978 12.064 ( -0.041 -3.100 3.858) 4.949 12.172 ( -0.316 -2.448 4.369) 5.018 12.527 ( -1.532 3.269 -0.065) 3.611 12.594 ( -0.539 6.046 -0.307) 6.078 12.763 ( -1.175 3.210 -1.711) 3.823 12.931 ( 0.594 3.609 -1.654) 4.014 13.800 ( -1.361 11.260 1.289) 11.415 13.840 ( 1.683 9.717 1.556) 9.984 14.079 ( -1.997 6.733 -3.120) 7.685 14.094 ( 2.120 5.256 -2.135) 6.056 14.272 ( 0.073 4.120 2.511) 4.826 14.471 ( -1.072 2.099 -5.044) 5.568 14.583 ( 1.765 4.689 -0.070) 5.011 14.718 ( -0.782 -1.165 -4.245) 4.471 15.130 ( -6.280 14.646 6.438) 17.187 15.317 ( 3.976 2.277 9.742) 10.766 15.559 ( 4.936 3.456 -1.792) 6.286 15.647 ( 1.175 1.441 -2.683) 3.265 16.065 ( -0.951 -12.608 -1.442) 12.726 16.164 ( 0.874 -11.584 -4.719) 12.539 16.317 ( -1.272 -16.112 6.828) 17.545 16.471 ( 0.600 -12.347 2.050) 12.531 19.842 ( -3.763 5.490 -1.052) 6.739 19.980 ( -0.751 4.291 0.671) 4.408 20.054 ( -2.620 1.998 2.713) 4.269 20.085 ( 2.614 8.052 -3.857) 9.303 20.254 ( 4.784 0.933 -1.511) 5.103 20.321 ( 1.614 6.006 -4.501) 7.677 20.452 ( -1.473 -1.779 8.652) 8.955 20.655 ( -0.065 -0.822 9.261) 9.297 20.859 ( -1.201 3.462 0.856) 3.763 20.921 ( 1.285 3.761 0.451) 4.000 21.298 ( -3.214 -11.404 -8.096) 14.350 21.433 ( 3.534 -11.814 -5.486) 13.497 22.003 ( -0.186 0.361 1.963) 2.005 22.045 ( -0.703 -1.280 2.825) 3.180 22.179 ( -0.090 -0.437 -3.781) 3.807 22.222 ( 0.015 -2.054 -3.287) 3.876 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 1.355 16.791 4.367) 17.403 1.172 ( 0.069 11.441 -0.849) 11.472 1.273 ( -2.613 11.867 1.354) 12.226 1.475 ( 1.723 10.259 0.444) 10.412 1.595 ( -0.141 3.602 1.349) 3.849 1.636 ( -0.663 2.460 0.680) 2.637 1.663 ( -0.524 1.885 0.304) 1.980 1.742 ( -1.162 2.043 1.157) 2.620 1.781 ( -0.408 2.616 -0.423) 2.681 1.870 ( 1.393 -1.320 2.481) 3.136 1.925 ( -1.159 -3.085 -2.154) 3.937 2.012 ( -0.655 0.676 5.042) 5.129 2.039 ( -1.569 1.840 0.383) 2.448 2.132 ( -0.055 -0.224 -0.435) 0.493 2.195 ( -3.088 -1.181 -5.430) 6.357 2.250 ( 2.726 -2.521 1.742) 4.101 2.394 ( 2.532 2.957 1.909) 4.336 2.443 ( 3.765 3.687 -1.494) 5.477 2.574 ( 0.086 2.669 0.545) 2.726 2.631 ( 0.142 -1.489 -0.510) 1.580 2.794 ( -0.222 -1.383 4.569) 4.779 2.863 ( -0.348 -4.605 0.732) 4.676 2.885 ( -0.020 -5.063 0.587) 5.096 2.911 ( 1.705 -4.753 -2.501) 5.635 3.100 ( -1.264 4.113 -2.477) 4.965 3.109 ( -1.593 1.737 -1.888) 3.020 3.215 ( -1.419 -1.661 0.500) 2.241 3.298 ( -1.476 -3.482 1.156) 3.955 3.330 ( -0.622 2.756 -0.584) 2.885 3.489 ( 2.769 4.550 -0.265) 5.332 3.548 ( 1.112 -9.103 -1.962) 9.378 3.677 ( 7.021 -9.155 -2.658) 11.840 4.138 ( -0.092 11.124 9.223) 14.451 4.209 ( -1.082 6.996 2.170) 7.404 4.262 ( -2.994 6.297 -2.258) 7.329 4.309 ( -1.634 7.007 -4.445) 8.457 4.499 ( -1.235 4.367 8.177) 9.352 4.545 ( -0.732 4.949 7.371) 8.908 4.588 ( -9.896 -0.325 4.044) 10.695 4.662 ( -6.267 7.208 -4.778) 10.680 4.684 ( -1.503 6.284 -1.507) 6.635 4.885 ( 0.413 1.221 2.454) 2.772 4.941 ( -2.228 1.236 -2.038) 3.263 4.992 ( -0.140 -0.448 -4.027) 4.054 5.146 ( -5.670 3.156 1.005) 6.567 5.201 ( -3.755 -0.192 -1.720) 4.135 5.338 ( -2.575 -6.017 1.063) 6.631 5.400 ( -2.793 -4.573 1.100) 5.470 5.417 ( -1.740 -0.714 -0.983) 2.122 5.546 ( -6.928 2.840 3.066) 8.091 5.656 ( -6.649 3.006 0.291) 7.303 5.696 ( -4.712 -1.800 -2.636) 5.692 6.143 ( 4.265 1.473 0.124) 4.513 6.189 ( 8.682 -2.784 -0.027) 9.117 6.226 ( 8.497 -2.563 0.202) 8.877 6.274 ( 11.360 -6.056 0.519) 12.884 6.709 ( -4.436 12.913 -2.209) 13.831 6.830 ( 3.920 5.455 0.682) 6.752 6.947 ( 2.444 11.103 3.248) 11.824 6.971 ( -3.670 8.461 -0.221) 9.226 7.082 ( 6.006 8.261 -7.786) 12.843 7.136 ( 6.513 3.342 -1.571) 7.487 7.414 ( -4.088 -1.822 -0.035) 4.476 7.520 ( -3.122 -2.751 1.342) 4.373 7.771 ( -7.763 -4.275 1.961) 9.077 7.846 ( -1.565 -12.986 0.796) 13.104 7.994 ( 0.559 -10.477 1.583) 10.611 8.034 ( 3.010 -13.809 -3.688) 14.606 8.380 ( -6.459 3.545 -2.063) 7.651 8.617 ( -6.092 -2.176 -0.366) 6.479 8.773 ( 7.029 5.617 0.898) 9.042 8.893 ( 2.197 4.304 1.785) 5.151 9.086 ( -0.350 -3.182 -0.561) 3.250 9.271 ( 5.170 -8.589 0.671) 10.048 9.474 ( 3.013 -11.539 2.114) 12.111 9.515 ( 2.207 -10.972 -3.488) 11.723 10.438 ( 0.173 1.941 0.387) 1.987 10.517 ( -1.329 -1.191 1.565) 2.374 10.597 ( 3.188 0.702 -4.242) 5.353 10.722 ( 4.192 -3.650 -2.222) 5.986 11.884 ( -0.689 10.106 2.437) 10.418 12.010 ( 2.469 6.115 -1.799) 6.835 12.126 ( -0.153 -2.733 4.401) 5.183 12.185 ( -1.476 -2.293 -0.667) 2.807 12.460 ( -5.510 4.888 -1.304) 7.481 12.607 ( 1.347 4.372 0.951) 4.673 12.719 ( -4.367 4.355 0.107) 6.168 12.929 ( 2.601 -1.465 -1.173) 3.207 13.797 ( -1.200 11.769 0.991) 11.872 13.878 ( 1.513 9.324 0.307) 9.451 14.031 ( -0.971 3.036 -0.918) 3.317 14.124 ( 3.998 11.334 0.077) 12.019 14.302 ( -0.256 3.012 0.856) 3.142 14.379 ( -0.623 -0.422 -2.948) 3.043 14.593 ( -1.790 0.538 -1.714) 2.536 14.687 ( 2.679 1.021 -0.482) 2.907 15.043 ( -10.430 15.675 1.378) 18.878 15.465 ( -0.838 0.843 4.862) 5.005 15.621 ( 2.853 -5.082 -1.891) 6.127 15.737 ( 15.865 8.415 1.627) 18.032 16.017 ( -2.208 -13.886 -1.788) 14.174 16.148 ( 2.731 -9.106 -1.059) 9.566 16.373 ( -2.211 -17.528 4.303) 18.183 16.494 ( 0.785 -10.190 -0.038) 10.221 19.764 ( -4.444 6.225 -0.334) 7.655 19.970 ( -4.977 -0.564 2.664) 5.673 20.063 ( 5.868 6.829 -2.735) 9.410 20.115 ( -0.344 9.327 3.130) 9.844 20.268 ( 3.537 7.660 -3.659) 9.197 20.327 ( 5.978 -1.436 -2.540) 6.652 20.565 ( -3.473 -4.719 12.146) 13.486 20.689 ( -3.243 -4.958 -2.441) 6.407 20.878 ( 1.393 3.903 1.884) 4.552 20.940 ( 1.358 3.965 -0.485) 4.219 21.123 ( -6.016 -6.150 -6.258) 10.638 21.439 ( 5.251 -11.854 -2.772) 13.258 22.034 ( -0.104 0.049 2.556) 2.558 22.069 ( -1.374 -1.291 2.711) 3.302 22.126 ( 0.037 0.309 -3.353) 3.368 22.170 ( -0.827 -1.138 -3.092) 3.397 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.745 17.183 7.037) 18.583 1.198 ( 0.752 10.574 2.937) 11.000 1.256 ( -3.127 12.017 1.698) 12.532 1.502 ( 0.811 10.878 1.274) 10.982 1.577 ( -2.677 2.833 -0.693) 3.959 1.633 ( 0.571 1.715 -1.039) 2.085 1.666 ( -0.012 -0.597 0.915) 1.093 1.717 ( -3.871 -1.369 1.626) 4.416 1.803 ( 2.168 11.253 3.334) 11.936 1.865 ( 0.329 -6.881 -1.166) 6.987 1.953 ( 1.452 1.776 -3.651) 4.312 2.002 ( 0.058 1.781 -0.539) 1.862 2.050 ( -2.429 3.302 -0.008) 4.099 2.113 ( -1.712 -1.073 4.367) 4.812 2.126 ( -1.450 2.697 0.583) 3.117 2.274 ( 1.442 -1.276 -1.893) 2.700 2.427 ( 0.743 1.422 -0.249) 1.623 2.512 ( 5.652 1.918 0.155) 5.971 2.573 ( 0.260 1.225 -3.058) 3.304 2.633 ( -0.013 -0.023 1.675) 1.675 2.826 ( -0.107 0.328 -2.034) 2.063 2.872 ( 1.166 -7.331 1.682) 7.611 2.898 ( 1.203 -7.521 -1.011) 7.684 2.940 ( 0.424 -7.509 2.340) 7.876 3.047 ( -2.418 5.582 1.902) 6.373 3.090 ( -1.818 2.415 -0.452) 3.056 3.213 ( 1.358 -2.213 0.499) 2.644 3.283 ( -1.185 -4.847 -0.231) 4.995 3.307 ( -0.412 6.336 -1.157) 6.454 3.523 ( 2.860 5.245 -2.322) 6.410 3.555 ( 0.739 -10.118 1.593) 10.269 3.764 ( 5.499 -7.984 1.279) 9.779 4.146 ( -0.153 10.012 -8.744) 13.293 4.197 ( -2.425 4.196 -2.672) 5.534 4.231 ( -2.344 7.348 4.057) 8.715 4.270 ( -5.053 6.872 5.660) 10.237 4.463 ( -7.399 -0.722 2.694) 7.907 4.470 ( -9.500 -4.424 3.992) 11.214 4.572 ( -2.849 9.045 1.144) 9.552 4.595 ( 0.084 5.820 -3.532) 6.809 4.714 ( 4.279 6.511 1.161) 7.877 4.889 ( -0.525 6.251 4.198) 7.548 4.905 ( -2.309 1.146 -4.350) 5.056 4.971 ( -0.612 -5.725 4.179) 7.115 5.095 ( -3.400 2.750 2.918) 5.257 5.175 ( -0.800 2.941 0.869) 3.169 5.319 ( -3.011 -8.279 2.307) 9.106 5.350 ( -3.063 -5.330 1.909) 6.437 5.412 ( -0.905 1.244 -3.048) 3.414 5.486 ( -3.651 4.865 3.823) 7.184 5.611 ( -4.263 4.008 3.314) 6.725 5.642 ( -3.857 -2.194 4.763) 6.510 6.202 ( 3.438 1.635 0.162) 3.811 6.245 ( 2.854 -0.671 -1.980) 3.538 6.337 ( 7.774 -1.308 -4.532) 9.093 6.381 ( 6.870 -3.099 -5.055) 9.075 6.644 ( -1.789 14.808 0.252) 14.918 6.849 ( -5.610 10.816 -0.629) 12.201 6.926 ( 6.746 3.627 -8.547) 11.477 7.017 ( 3.463 8.746 4.752) 10.539 7.148 ( 7.383 3.890 1.630) 8.503 7.244 ( 7.191 -0.047 1.206) 7.291 7.370 ( -1.781 1.344 0.319) 2.254 7.438 ( -7.681 0.605 -1.206) 7.799 7.665 ( -7.971 -4.211 -1.588) 9.154 7.818 ( -1.147 -14.042 -1.929) 14.220 7.961 ( -2.665 -7.918 -2.853) 8.828 8.067 ( 2.347 -14.758 2.336) 15.125 8.325 ( -0.264 4.294 2.512) 4.981 8.545 ( -3.774 -4.171 1.176) 5.747 8.844 ( 2.577 6.484 0.495) 6.995 8.901 ( -1.494 6.565 -0.299) 6.739 9.099 ( 2.305 -3.188 -1.011) 4.062 9.328 ( 2.859 -10.111 -0.655) 10.528 9.496 ( 2.658 -14.099 -2.077) 14.497 9.560 ( 2.543 -10.289 -0.322) 10.603 10.456 ( -0.624 1.786 2.873) 3.440 10.514 ( -0.513 -0.462 -0.318) 0.760 10.610 ( 3.504 1.648 -2.710) 4.726 10.749 ( 3.388 -3.994 -2.206) 5.683 11.885 ( -0.534 12.296 -0.188) 12.309 12.035 ( 3.257 3.458 -1.271) 4.917 12.135 ( -1.752 -1.945 -1.767) 3.158 12.159 ( -0.795 -2.104 0.579) 2.322 12.381 ( -3.489 5.009 0.606) 6.134 12.633 ( 0.008 3.619 0.752) 3.697 12.663 ( -2.914 5.171 0.955) 6.012 12.959 ( 1.148 -3.589 0.725) 3.837 13.790 ( -0.804 11.842 -0.087) 11.870 13.892 ( 0.973 8.403 -0.568) 8.479 14.020 ( -0.147 0.901 0.097) 0.918 14.193 ( 3.367 14.425 1.383) 14.877 14.297 ( 0.579 6.532 0.103) 6.558 14.365 ( -1.884 -5.153 -0.432) 5.503 14.546 ( -1.347 0.317 1.678) 2.175 14.743 ( 3.836 3.050 0.695) 4.950 14.917 ( -7.497 14.262 -0.496) 16.120 15.450 ( -0.882 2.577 -3.455) 4.399 15.658 ( 1.668 -7.698 2.223) 8.184 15.932 ( 7.219 -6.531 -3.797) 10.449 16.000 ( 1.576 -10.897 5.030) 12.105 16.187 ( 3.620 -2.429 -2.298) 4.928 16.359 ( -1.630 -19.118 -2.337) 19.329 16.494 ( -0.147 -7.345 -0.617) 7.372 19.721 ( -2.672 6.606 1.333) 7.250 19.921 ( -3.716 -1.333 0.466) 3.975 20.103 ( 1.895 7.715 -4.788) 9.276 20.151 ( 3.821 9.084 2.490) 10.164 20.309 ( 1.646 5.956 3.890) 7.302 20.389 ( 4.890 -1.613 -0.127) 5.150 20.528 ( -2.895 -4.266 -12.410) 13.438 20.645 ( -3.360 -5.050 5.014) 7.869 20.907 ( 1.213 3.494 -0.965) 3.822 20.947 ( 0.792 4.522 -0.717) 4.647 21.039 ( -4.468 -3.526 7.148) 9.137 21.488 ( 3.427 -12.957 0.055) 13.402 22.059 ( -1.102 -0.281 2.039) 2.335 22.075 ( -1.880 -0.929 1.550) 2.607 22.101 ( 1.514 0.312 -1.689) 2.290 22.127 ( -0.350 -0.496 -1.727) 1.831 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.487 8.595 0.912) 8.657 1.437 ( -4.784 5.845 0.644) 7.581 1.486 ( -4.514 8.763 1.268) 9.939 1.600 ( 2.199 5.485 0.744) 5.956 1.643 ( -0.552 2.124 -0.524) 2.257 1.668 ( 0.669 -3.525 -0.263) 3.598 1.678 ( 1.436 -4.094 1.629) 4.634 1.703 ( -1.619 -1.508 4.002) 4.573 1.775 ( 0.047 6.170 3.962) 7.333 1.866 ( -0.632 -0.802 -7.081) 7.155 1.909 ( -1.733 -4.205 0.110) 4.549 1.937 ( 0.084 -5.407 7.990) 9.648 2.093 ( 0.124 0.232 -2.649) 2.662 2.101 ( 0.410 -0.610 -2.353) 2.465 2.262 ( -0.914 3.887 5.447) 6.754 2.280 ( -0.101 1.686 -0.824) 1.879 2.483 ( -0.978 4.060 1.226) 4.353 2.540 ( 0.199 0.247 -1.316) 1.354 2.602 ( 1.492 0.837 -0.170) 1.720 2.627 ( -0.088 -2.879 -0.200) 2.887 2.728 ( -1.403 -1.005 0.027) 1.726 2.784 ( -0.553 -6.146 1.797) 6.427 2.827 ( 0.112 1.491 0.597) 1.610 2.875 ( -0.370 -2.905 4.264) 5.172 3.077 ( -0.889 4.324 -3.382) 5.561 3.164 ( -0.350 -4.507 -2.710) 5.271 3.214 ( 0.777 2.042 -1.252) 2.518 3.264 ( 0.114 -2.651 -5.471) 6.080 3.327 ( -0.218 10.715 4.259) 11.533 3.543 ( -0.066 -4.511 2.186) 5.013 3.588 ( 1.246 2.972 0.997) 3.374 3.649 ( 1.041 -8.468 7.632) 11.447 4.173 ( -0.275 3.036 -8.518) 9.047 4.181 ( -0.277 2.112 -7.192) 7.501 4.256 ( -2.333 4.006 -2.529) 5.281 4.356 ( 0.016 -0.586 -4.962) 4.997 4.422 ( -2.861 0.278 10.167) 10.566 4.484 ( -1.698 -2.632 5.393) 6.236 4.580 ( -0.242 7.479 -3.283) 8.171 4.745 ( -0.512 -7.599 -2.170) 7.919 4.815 ( -2.351 9.448 5.125) 11.002 4.863 ( -1.471 2.515 3.415) 4.489 4.891 ( 0.972 0.709 1.559) 1.969 5.058 ( -0.652 -7.988 2.959) 8.543 5.142 ( 0.571 1.279 5.655) 5.826 5.160 ( 0.138 0.661 3.671) 3.732 5.278 ( -1.150 2.060 4.260) 4.870 5.331 ( -0.792 -2.436 3.952) 4.710 5.434 ( -0.550 4.169 3.167) 5.264 5.522 ( -0.378 -4.815 4.070) 6.316 5.661 ( -1.913 6.436 5.226) 8.509 5.746 ( -2.532 -0.996 7.624) 8.095 6.199 ( 0.234 0.363 -7.312) 7.325 6.222 ( 0.303 -1.375 -5.177) 5.365 6.287 ( 1.973 0.292 -7.077) 7.352 6.315 ( 2.143 -2.815 -7.064) 7.901 6.913 ( 1.083 8.899 -4.506) 10.033 6.949 ( 1.124 13.211 -3.411) 13.690 7.054 ( 0.951 -7.591 -2.210) 7.963 7.115 ( 1.029 14.531 -0.294) 14.570 7.203 ( 0.274 -9.556 -1.574) 9.689 7.263 ( -0.228 8.420 0.441) 8.435 7.406 ( -0.074 -11.092 -1.841) 11.244 7.471 ( 0.984 -14.116 -0.428) 14.156 7.538 ( -0.169 7.769 1.842) 7.987 7.579 ( 0.286 13.490 0.492) 13.502 7.727 ( 0.525 -11.108 -0.219) 11.123 7.841 ( 0.425 -13.246 1.454) 13.332 8.514 ( -0.374 3.783 8.703) 9.497 8.539 ( 0.022 0.500 7.167) 7.185 8.945 ( 0.226 4.172 -2.383) 4.810 9.020 ( 0.614 -3.260 -3.663) 4.942 9.079 ( -0.282 10.831 -0.818) 10.866 9.211 ( 0.442 -2.630 -0.395) 2.696 9.258 ( 1.045 -8.812 -0.926) 8.922 9.322 ( -0.495 -11.283 -3.257) 11.755 10.491 ( -0.958 0.211 -0.080) 0.984 10.495 ( -1.141 -0.129 1.468) 1.864 10.645 ( 2.297 2.374 -3.716) 4.972 10.693 ( 2.190 -2.507 -3.017) 4.492 12.014 ( -0.440 3.850 -2.468) 4.594 12.062 ( -0.284 -1.706 -1.944) 2.602 12.085 ( 1.060 1.076 -2.353) 2.796 12.104 ( -0.289 -1.099 -1.847) 2.169 12.524 ( 0.322 7.458 4.175) 8.553 12.660 ( 0.091 -5.294 4.297) 6.819 12.735 ( -0.699 6.780 0.267) 6.821 12.875 ( -0.488 -6.795 1.396) 6.954 13.991 ( -0.067 5.256 -0.107) 5.257 13.999 ( -0.051 6.222 -0.543) 6.246 14.020 ( 0.260 -0.602 0.724) 0.977 14.145 ( -0.501 -6.765 -2.781) 7.332 14.512 ( 0.501 7.367 5.411) 9.155 14.567 ( -0.635 12.770 2.811) 13.091 14.592 ( 0.647 -1.717 5.675) 5.965 14.741 ( -0.706 -4.635 1.201) 4.840 15.289 ( 0.109 25.330 -4.983) 25.815 15.420 ( -0.005 7.156 -8.183) 10.871 15.608 ( -0.196 -15.468 -3.644) 15.892 15.730 ( 0.072 6.192 8.218) 10.290 15.839 ( -0.001 -24.053 -5.773) 24.736 15.913 ( -0.382 -11.325 7.646) 13.670 16.220 ( 0.353 5.371 -6.979) 8.814 16.338 ( 0.244 -6.547 -4.249) 7.809 19.824 ( -1.150 3.810 2.388) 4.641 19.877 ( -1.243 -1.821 2.331) 3.209 20.154 ( 1.176 5.383 -8.546) 10.168 20.241 ( 1.044 -2.980 -9.519) 10.029 20.393 ( 1.354 3.669 2.589) 4.690 20.434 ( 0.483 -0.156 3.249) 3.289 20.510 ( -0.790 3.705 6.450) 7.480 20.580 ( -1.197 -2.783 2.724) 4.074 20.943 ( -0.271 2.251 -1.077) 2.510 21.009 ( -0.438 -5.319 4.934) 7.268 21.062 ( 0.452 8.246 -2.227) 8.553 21.261 ( 0.567 -11.763 -1.242) 11.842 22.053 ( -2.173 -0.077 1.053) 2.416 22.054 ( -1.997 -0.224 0.913) 2.207 22.117 ( 2.018 0.091 -0.634) 2.117 22.119 ( 2.453 -0.115 -0.498) 2.506 ======================= Grid point 92 (50/90) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -7.570 5.599 0.903) 9.459 1.387 ( -6.019 1.805 3.310) 7.103 1.495 ( 1.000 8.541 2.220) 8.881 1.616 ( -1.571 5.312 1.040) 5.636 1.639 ( -2.369 -1.519 -1.007) 2.989 1.663 ( 0.946 2.372 0.713) 2.651 1.701 ( 0.358 1.460 -0.765) 1.686 1.705 ( 2.060 -0.122 -5.023) 5.430 1.803 ( -1.294 -0.244 1.119) 1.729 1.834 ( 1.196 -4.657 4.902) 6.866 1.923 ( -2.661 2.717 4.654) 6.010 2.021 ( -2.286 2.050 -4.185) 5.191 2.044 ( -3.271 -4.696 7.126) 9.140 2.074 ( 0.034 -3.082 0.789) 3.182 2.209 ( -2.269 3.460 -5.369) 6.779 2.276 ( -1.796 -1.926 -1.549) 3.055 2.481 ( -1.574 5.288 1.016) 5.610 2.564 ( 0.789 -0.579 1.682) 1.946 2.581 ( -2.019 3.381 -0.200) 3.943 2.626 ( -0.539 -2.914 0.297) 2.978 2.711 ( -1.102 3.034 1.414) 3.524 2.797 ( 0.994 1.323 -0.500) 1.729 2.862 ( 2.037 -3.882 2.089) 4.856 2.931 ( 1.567 -4.388 1.965) 5.057 3.065 ( 1.567 1.945 0.690) 2.591 3.129 ( 0.127 -4.375 -0.943) 4.477 3.202 ( 1.079 0.028 -2.221) 2.469 3.228 ( 2.038 -2.477 -2.697) 4.191 3.386 ( -1.206 9.480 6.609) 11.619 3.554 ( -2.687 -2.702 3.584) 5.231 3.611 ( -0.349 3.292 -0.831) 3.413 3.712 ( -3.355 -5.730 2.084) 6.960 4.077 ( 3.404 5.434 -5.440) 8.409 4.133 ( 2.640 -1.721 -3.340) 4.592 4.174 ( 0.493 1.657 -7.174) 7.380 4.262 ( 1.748 -3.779 -8.856) 9.786 4.523 ( -1.374 4.831 4.797) 6.945 4.537 ( 2.415 2.125 3.920) 5.071 4.591 ( 0.591 3.065 2.962) 4.303 4.704 ( 0.036 -4.163 -2.399) 4.804 4.839 ( -5.338 3.077 7.779) 9.924 4.885 ( -2.936 0.661 4.093) 5.080 4.988 ( 2.308 4.204 5.557) 7.340 5.113 ( 0.518 -5.868 3.652) 6.931 5.223 ( 4.183 1.862 2.172) 5.068 5.242 ( 4.646 1.440 3.898) 6.233 5.323 ( 0.860 1.457 1.811) 2.479 5.363 ( 2.147 -1.077 0.383) 2.432 5.493 ( -3.362 3.652 6.689) 8.330 5.572 ( -3.754 -4.076 6.061) 8.212 5.676 ( -1.843 6.137 -0.385) 6.419 5.805 ( -2.294 -5.358 3.374) 6.735 6.037 ( -4.111 2.147 -8.069) 9.307 6.114 ( -3.712 -4.651 -4.511) 7.467 6.222 ( -0.645 0.476 -3.856) 3.939 6.251 ( 0.017 -2.405 -3.265) 4.055 6.888 ( 3.499 10.698 -2.718) 11.579 6.943 ( 5.845 12.907 -4.519) 14.872 7.044 ( 0.798 -4.000 0.513) 4.111 7.107 ( -0.684 4.806 -1.255) 5.014 7.202 ( 1.926 2.157 -0.637) 2.961 7.289 ( 6.819 0.692 -3.262) 7.590 7.394 ( -0.211 -9.476 -0.188) 9.480 7.449 ( -1.865 -7.465 -0.311) 7.701 7.552 ( -0.934 7.597 1.012) 7.721 7.605 ( 1.790 7.068 -1.100) 7.373 7.755 ( -0.275 -11.902 2.384) 12.142 7.838 ( -1.510 -12.688 -1.153) 12.830 8.614 ( -2.632 4.602 9.423) 10.812 8.662 ( -0.364 0.205 8.216) 8.226 8.882 ( -2.435 3.347 -4.796) 6.335 8.915 ( -4.327 1.925 -7.594) 8.949 9.099 ( 0.839 4.030 2.057) 4.602 9.177 ( -0.606 -0.777 -1.508) 1.802 9.260 ( -0.405 -8.313 -1.548) 8.465 9.296 ( 3.778 -10.296 -1.530) 11.073 10.482 ( 0.064 1.198 0.327) 1.244 10.505 ( -0.713 -0.911 2.030) 2.336 10.637 ( 3.385 2.153 -2.784) 4.883 10.684 ( 2.472 -2.497 -2.617) 4.381 11.970 ( -2.137 3.108 -0.390) 3.792 12.020 ( -2.240 -2.355 -0.918) 3.377 12.050 ( 0.157 1.817 -4.279) 4.651 12.079 ( 0.371 -1.561 -2.885) 3.301 12.605 ( 1.257 7.299 5.224) 9.063 12.715 ( -0.227 5.831 -0.612) 5.867 12.749 ( 1.317 -3.531 5.050) 6.301 12.877 ( 0.362 -6.937 -1.205) 7.050 13.980 ( -0.728 7.321 -0.366) 7.366 13.994 ( -0.189 4.062 -0.314) 4.078 14.043 ( 0.761 -1.506 1.428) 2.211 14.097 ( -0.664 -4.974 -2.563) 5.634 14.584 ( -0.922 12.998 4.320) 13.728 14.613 ( 0.370 6.921 4.414) 8.217 14.682 ( 0.393 -1.790 5.404) 5.706 14.735 ( -1.481 -2.963 0.932) 3.441 15.246 ( 2.510 19.163 -4.015) 19.740 15.317 ( 1.555 12.664 -7.972) 15.045 15.581 ( -0.107 -17.867 -0.004) 17.867 15.740 ( -0.444 -18.028 -6.618) 19.210 15.847 ( 1.173 2.382 6.225) 6.768 16.009 ( -1.895 -7.456 6.696) 10.199 16.096 ( -2.320 4.469 -5.925) 7.776 16.255 ( -1.576 -9.129 -6.019) 11.048 19.862 ( 0.844 3.400 3.501) 4.953 19.911 ( 0.415 -1.578 3.384) 3.757 20.070 ( 2.017 4.983 -6.674) 8.570 20.148 ( 2.487 -2.841 -7.676) 8.555 20.431 ( -2.801 4.390 4.525) 6.899 20.473 ( -2.746 0.258 4.633) 5.391 20.542 ( -2.839 2.145 1.530) 3.873 20.564 ( -0.510 -0.085 -3.611) 3.648 20.937 ( 0.113 5.505 1.149) 5.625 21.030 ( 0.430 8.279 -2.851) 8.767 21.094 ( 1.033 -10.158 5.873) 11.778 21.243 ( 0.356 -12.602 -2.116) 12.784 22.029 ( -2.305 0.135 0.460) 2.355 22.032 ( -2.108 -0.201 0.376) 2.151 22.151 ( 3.046 0.220 -0.012) 3.054 22.159 ( 3.321 -0.568 -0.132) 3.371 ======================= Grid point 93 (51/90) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -6.396 7.476 2.087) 10.058 1.361 ( -6.382 -2.668 5.693) 8.959 1.523 ( -2.196 4.745 2.182) 5.666 1.558 ( -2.761 1.722 -2.292) 3.980 1.631 ( -1.698 6.380 1.419) 6.753 1.651 ( 3.257 2.207 -1.090) 4.083 1.699 ( 2.428 -1.522 -2.658) 3.908 1.712 ( 0.635 2.333 1.559) 2.877 1.813 ( -3.679 1.975 4.915) 6.450 1.885 ( -0.671 -0.678 -4.501) 4.601 1.912 ( -1.788 0.042 -0.162) 1.795 1.939 ( -2.666 -4.610 2.576) 5.916 2.059 ( -2.769 2.921 -1.060) 4.163 2.098 ( -1.246 3.099 1.166) 3.538 2.145 ( -2.591 -4.691 4.758) 7.166 2.201 ( -1.422 -5.368 -3.944) 6.811 2.470 ( -1.333 6.750 0.579) 6.905 2.537 ( -1.435 4.655 -0.796) 4.936 2.579 ( -1.462 -3.644 0.015) 3.926 2.618 ( -1.212 -2.961 0.250) 3.210 2.766 ( 2.541 5.800 3.783) 7.376 2.804 ( 2.104 4.171 -2.235) 5.179 2.915 ( -0.367 -6.538 3.097) 7.244 2.950 ( 2.326 -6.327 -2.825) 7.309 3.121 ( 2.471 -0.104 1.867) 3.099 3.147 ( 0.409 -2.935 1.956) 3.551 3.205 ( 2.804 1.604 -1.059) 3.399 3.230 ( 2.894 -1.293 -2.282) 3.906 3.448 ( -2.070 7.106 4.493) 8.659 3.526 ( -0.854 5.941 -4.509) 7.507 3.594 ( -4.267 -5.923 4.098) 8.371 3.630 ( -3.327 -3.601 -4.471) 6.635 4.080 ( 2.115 4.057 -4.992) 6.771 4.125 ( 2.203 4.070 4.203) 6.252 4.171 ( 1.886 -3.352 0.655) 3.902 4.210 ( 2.678 -2.898 -1.787) 4.331 4.568 ( 1.346 5.414 2.174) 5.987 4.588 ( 0.853 2.922 -0.551) 3.093 4.653 ( 1.259 1.697 3.865) 4.405 4.703 ( 2.553 -2.218 -0.325) 3.398 4.856 ( -6.267 3.154 6.048) 9.263 4.900 ( -4.697 0.173 5.929) 7.566 5.057 ( 2.137 4.627 0.258) 5.104 5.141 ( 0.763 -2.817 -0.883) 3.049 5.325 ( 2.727 1.967 -4.066) 5.276 5.331 ( 2.997 1.146 3.745) 4.932 5.373 ( 4.476 1.414 0.796) 4.761 5.398 ( 4.874 0.436 0.118) 4.895 5.487 ( -5.720 2.843 2.712) 6.940 5.560 ( -6.794 1.163 2.603) 7.368 5.608 ( -2.110 -3.486 -1.849) 4.475 5.707 ( -4.090 -7.851 -6.391) 10.918 5.994 ( -3.146 2.523 5.643) 6.936 6.055 ( -3.567 -3.622 2.552) 5.689 6.169 ( 0.299 0.973 -3.568) 3.710 6.210 ( 0.053 -3.039 -3.286) 4.476 6.949 ( 6.004 12.511 0.531) 13.887 6.982 ( 6.474 11.701 -3.505) 13.824 7.068 ( 2.110 4.747 0.659) 5.236 7.104 ( 3.240 2.938 -2.256) 4.921 7.259 ( 3.737 -1.202 1.759) 4.301 7.308 ( 0.121 -0.249 -1.709) 1.731 7.403 ( 1.573 -6.741 0.196) 6.925 7.412 ( -2.637 -2.682 -1.328) 3.988 7.555 ( 0.245 4.302 1.179) 4.467 7.597 ( 1.494 1.039 -1.872) 2.611 7.761 ( -2.503 -13.926 1.416) 14.220 7.776 ( -2.842 -13.385 -2.394) 13.891 8.678 ( -3.625 4.678 5.264) 7.920 8.718 ( -3.478 4.122 -0.445) 5.412 8.735 ( -4.776 0.795 -2.207) 5.321 8.773 ( -3.236 -0.003 -2.961) 4.386 9.133 ( 0.595 2.878 1.328) 3.225 9.168 ( 1.187 4.203 -1.559) 4.637 9.272 ( 1.612 -9.797 0.960) 9.975 9.329 ( 3.070 -10.613 -1.133) 11.106 10.503 ( 1.143 1.743 0.791) 2.230 10.531 ( -0.032 -1.018 2.051) 2.290 10.660 ( 4.227 1.234 -2.425) 5.028 10.691 ( 3.107 -1.691 -2.711) 4.457 11.951 ( -2.565 1.213 1.447) 3.184 11.954 ( -2.425 0.817 -3.211) 4.106 12.019 ( -0.328 0.016 0.989) 1.042 12.039 ( -1.133 -1.977 -0.380) 2.311 12.682 ( 0.426 7.669 0.696) 7.712 12.691 ( 0.790 7.477 0.222) 7.522 12.839 ( 0.821 -5.928 4.056) 7.230 12.850 ( 1.034 -6.206 -3.448) 7.175 13.965 ( -0.952 5.919 0.137) 5.997 13.983 ( -0.519 6.394 -0.232) 6.419 14.058 ( -0.032 -3.817 -0.861) 3.913 14.080 ( 0.474 -3.626 1.023) 3.797 14.617 ( -0.565 9.781 1.841) 9.969 14.639 ( -0.494 8.330 -0.999) 8.404 14.727 ( 0.233 -1.202 -1.939) 2.293 14.743 ( -0.362 -1.843 3.245) 3.750 15.252 ( 2.173 15.840 -0.192) 15.989 15.273 ( 2.651 17.473 -1.625) 17.748 15.607 ( -0.916 -15.132 4.059) 15.693 15.648 ( -0.200 -16.251 -4.637) 16.901 15.922 ( -1.208 3.446 2.655) 4.515 15.963 ( -1.038 4.556 -1.977) 5.074 16.099 ( -2.004 -10.497 2.301) 10.932 16.156 ( -1.107 -11.390 -2.819) 11.786 19.928 ( 1.094 3.248 3.251) 4.724 19.976 ( 0.262 -1.606 4.181) 4.486 20.042 ( 4.094 3.913 -2.845) 6.337 20.101 ( 3.324 -2.021 -5.161) 6.463 20.427 ( -3.689 3.941 0.261) 5.405 20.459 ( -2.895 2.420 -5.874) 6.982 20.486 ( -3.768 0.818 3.746) 5.376 20.515 ( -3.150 -0.450 2.554) 4.080 20.968 ( 0.235 8.097 1.703) 8.277 21.006 ( 1.224 8.298 -1.851) 8.590 21.173 ( 0.516 -12.268 3.132) 12.672 21.217 ( 1.164 -12.649 -2.951) 13.040 22.007 ( -1.710 0.236 0.688) 1.858 22.010 ( -1.645 -0.108 0.570) 1.745 22.191 ( 2.765 -0.046 -0.624) 2.835 22.199 ( 2.936 -0.876 -0.832) 3.175 ======================= Grid point 94 (52/90) ======================= q-point: ( 0.43 0.44 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -3.920 9.594 3.014) 10.794 1.359 ( -5.888 -4.433 6.803) 10.030 1.484 ( -1.732 6.537 -0.892) 6.822 1.549 ( -0.248 0.468 2.147) 2.211 1.627 ( -1.103 4.801 1.444) 5.133 1.677 ( 0.586 0.217 -1.905) 2.005 1.722 ( 0.157 4.782 1.866) 5.136 1.764 ( 4.119 3.336 2.655) 5.928 1.796 ( -3.733 2.320 -0.600) 4.435 1.825 ( -3.805 2.273 4.669) 6.438 1.897 ( 2.754 -5.388 -1.730) 6.293 1.916 ( 0.380 -4.995 -5.239) 7.249 1.969 ( -2.713 2.263 -2.280) 4.205 2.089 ( -3.327 -7.317 -2.786) 8.507 2.149 ( -0.222 2.133 4.638) 5.110 2.216 ( -0.547 -3.912 3.614) 5.354 2.464 ( -0.263 5.826 0.005) 5.831 2.510 ( -0.787 5.197 -0.668) 5.298 2.564 ( 0.124 -3.404 -0.122) 3.408 2.602 ( -0.692 -3.256 -0.536) 3.372 2.782 ( -0.239 4.792 -2.840) 5.576 2.839 ( 1.290 3.666 2.077) 4.407 2.902 ( -1.274 -6.218 -2.350) 6.769 2.953 ( 1.106 -5.216 -1.438) 5.522 3.137 ( 0.668 1.795 -1.394) 2.369 3.181 ( -1.055 -2.592 2.390) 3.680 3.228 ( 1.856 0.393 -2.134) 2.855 3.252 ( 2.040 -1.382 0.155) 2.468 3.441 ( -2.856 4.198 -0.114) 5.078 3.472 ( 2.322 2.885 -3.237) 4.919 3.543 ( -1.736 -1.419 -3.273) 3.967 3.555 ( -1.135 -5.228 -2.932) 6.100 4.118 ( 2.447 8.530 5.088) 10.229 4.203 ( 0.172 1.733 4.882) 5.183 4.237 ( -0.089 -1.857 6.746) 6.997 4.281 ( 0.873 -3.053 7.338) 7.995 4.567 ( -0.827 5.330 -2.145) 5.805 4.604 ( 1.008 4.139 0.503) 4.290 4.708 ( -0.841 -0.181 1.672) 1.880 4.726 ( 0.153 0.689 0.353) 0.789 4.862 ( -2.178 2.786 4.879) 6.026 4.892 ( -7.940 0.462 6.223) 10.099 5.066 ( 1.659 3.352 -2.774) 4.657 5.118 ( 1.246 -1.396 -3.952) 4.372 5.320 ( 3.739 3.182 -3.435) 5.992 5.349 ( 3.387 0.423 -5.445) 6.427 5.405 ( -2.633 4.746 -0.419) 5.444 5.452 ( -2.724 2.367 5.292) 6.405 5.470 ( -1.729 2.181 0.501) 2.828 5.500 ( -0.346 -0.856 -1.292) 1.588 5.611 ( 1.738 -9.035 -0.162) 9.202 5.619 ( -0.053 -8.770 3.183) 9.330 5.993 ( -5.619 1.945 1.906) 6.244 6.033 ( -4.163 -2.160 1.392) 4.892 6.136 ( 2.413 0.943 -3.674) 4.496 6.169 ( 1.932 -2.378 -4.198) 5.197 6.990 ( 1.759 11.599 -1.199) 11.792 7.044 ( 5.174 11.759 -1.452) 12.929 7.103 ( 3.113 3.237 -4.616) 6.440 7.151 ( 2.899 5.780 -0.767) 6.512 7.200 ( -1.344 8.179 -2.375) 8.623 7.328 ( -4.415 -1.195 2.082) 5.025 7.371 ( 0.178 -2.694 -2.170) 3.464 7.419 ( 1.699 -6.702 0.011) 6.914 7.583 ( 0.708 -0.863 1.433) 1.816 7.656 ( 4.125 -5.179 4.529) 8.022 7.727 ( -0.276 -13.299 0.144) 13.302 7.742 ( -2.714 -12.905 1.464) 13.269 8.621 ( 1.506 5.927 -3.166) 6.886 8.667 ( -0.528 1.251 0.216) 1.375 8.705 ( -4.593 2.389 1.469) 5.382 8.753 ( -2.073 -1.226 3.036) 3.875 9.145 ( -0.424 2.880 0.078) 2.912 9.167 ( 1.453 5.975 -1.242) 6.273 9.275 ( 0.259 -9.353 -2.395) 9.658 9.354 ( 1.301 -11.247 -0.555) 11.336 10.512 ( 0.018 1.698 -1.090) 2.018 10.537 ( -1.401 -0.885 -0.017) 1.657 10.673 ( 3.039 0.136 -3.776) 4.849 10.683 ( 2.636 -0.812 -4.513) 5.289 11.899 ( -0.644 2.529 0.068) 2.611 11.948 ( -0.671 -2.400 1.923) 3.148 12.052 ( -0.440 1.242 4.678) 4.860 12.072 ( -0.523 -1.041 5.434) 5.557 12.645 ( 0.693 6.943 -3.645) 7.872 12.730 ( -0.496 5.780 1.506) 5.994 12.795 ( 0.722 -3.613 -4.722) 5.989 12.894 ( 0.056 -6.233 1.723) 6.467 13.961 ( -0.448 5.680 0.810) 5.755 13.983 ( -0.096 7.008 0.916) 7.069 14.054 ( 0.650 -3.647 -0.234) 3.712 14.096 ( -0.669 -4.209 1.027) 4.384 14.583 ( -0.716 10.788 -4.814) 11.835 14.614 ( 0.487 4.578 -2.593) 5.284 14.673 ( 0.200 1.929 -5.391) 5.729 14.747 ( -0.785 -2.979 -1.841) 3.589 15.292 ( 0.708 12.522 3.912) 13.138 15.374 ( 2.695 19.538 9.435) 21.864 15.572 ( -1.766 -10.819 -1.061) 11.013 15.697 ( -0.099 -3.789 5.365) 6.569 15.904 ( 0.656 -7.778 -0.314) 7.812 15.965 ( -1.558 3.342 0.892) 3.794 16.024 ( -0.307 -10.787 -6.089) 12.390 16.173 ( -0.999 -12.687 3.362) 13.163 19.960 ( -0.966 3.285 0.993) 3.565 20.002 ( -1.443 -0.743 1.815) 2.435 20.090 ( 2.750 2.084 -0.438) 3.478 20.128 ( 4.029 -1.538 1.570) 4.589 20.318 ( -1.733 5.125 -5.866) 7.980 20.387 ( -0.031 -1.674 -2.599) 3.091 20.482 ( -2.302 4.468 2.006) 5.411 20.542 ( -2.251 -1.258 6.234) 6.746 20.968 ( -0.352 7.621 -0.869) 7.679 21.019 ( 0.891 8.048 0.432) 8.109 21.163 ( -0.477 -11.753 -3.410) 12.247 21.216 ( 1.231 -11.578 -0.979) 11.684 22.000 ( -0.983 0.437 1.217) 1.625 22.008 ( -0.908 -0.347 1.664) 1.927 22.203 ( 1.439 -0.081 -2.092) 2.540 22.213 ( 1.638 -1.073 -2.032) 2.822 ======================= Grid point 95 (53/90) ======================= q-point: (-0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.798 11.195 4.639) 12.144 1.383 ( -4.331 -1.983 7.428) 8.824 1.462 ( -0.231 9.320 -1.359) 9.422 1.590 ( 1.079 4.699 1.036) 4.932 1.598 ( -0.371 -1.574 0.645) 1.741 1.693 ( -0.409 -3.062 -1.185) 3.309 1.710 ( -0.390 6.464 -2.525) 6.950 1.737 ( -2.433 5.294 2.235) 6.240 1.835 ( -1.066 3.341 0.445) 3.535 1.858 ( 0.889 -3.778 -0.715) 3.947 1.888 ( -0.799 -5.278 1.146) 5.459 1.917 ( 3.901 3.135 2.099) 5.427 1.960 ( -1.846 -5.159 3.497) 6.500 2.027 ( 1.982 -6.521 -0.809) 6.863 2.196 ( 0.991 1.016 0.797) 1.628 2.232 ( 0.749 -2.487 -2.062) 3.316 2.457 ( -0.143 5.764 0.109) 5.767 2.510 ( 1.637 4.328 -0.816) 4.699 2.571 ( 0.246 -3.945 0.187) 3.957 2.588 ( 0.337 -3.445 -0.666) 3.525 2.734 ( -2.668 3.773 0.006) 4.621 2.840 ( -1.803 -5.566 -2.626) 6.413 2.859 ( 0.456 2.375 -0.874) 2.571 2.916 ( -0.393 -2.298 -4.532) 5.097 3.136 ( 0.042 3.165 0.999) 3.319 3.177 ( -1.417 -0.790 0.695) 1.765 3.234 ( -0.950 -1.403 1.257) 2.110 3.263 ( 0.360 -3.140 1.141) 3.360 3.373 ( -4.340 3.041 -1.871) 5.620 3.445 ( -0.118 -5.269 -4.781) 7.115 3.520 ( 5.098 2.109 -1.722) 5.779 3.538 ( 5.129 -0.966 -5.471) 7.561 4.236 ( -0.697 10.436 8.555) 13.512 4.270 ( -1.229 3.005 5.468) 6.359 4.325 ( -1.168 -2.151 7.823) 8.197 4.396 ( -0.700 -4.604 6.116) 7.687 4.531 ( -2.309 9.398 2.754) 10.062 4.614 ( -1.284 5.387 1.406) 5.714 4.679 ( -5.698 0.424 2.284) 6.153 4.737 ( -0.948 -4.776 2.159) 5.326 4.844 ( -8.567 2.987 3.893) 9.873 4.883 ( -2.627 0.295 1.646) 3.114 5.027 ( -1.789 2.989 -2.934) 4.554 5.075 ( 1.372 -0.477 -5.583) 5.769 5.266 ( 0.038 3.406 -6.303) 7.165 5.313 ( 0.170 -1.151 -4.868) 5.005 5.345 ( -4.551 3.059 -2.088) 5.868 5.385 ( -4.969 -1.123 -1.416) 5.287 5.464 ( -2.015 1.261 0.876) 2.533 5.528 ( -2.830 -2.687 5.197) 6.499 5.672 ( 3.011 -1.613 1.898) 3.907 5.765 ( 7.899 -9.294 3.776) 12.769 5.912 ( -1.621 4.330 -0.364) 4.638 5.996 ( 0.690 -4.126 0.305) 4.194 6.148 ( 4.683 0.999 -1.997) 5.188 6.168 ( 5.381 -1.212 -3.397) 6.478 6.998 ( 0.468 8.311 -1.213) 8.412 7.025 ( -3.677 5.692 -3.674) 7.709 7.040 ( -0.090 10.408 -1.268) 10.485 7.129 ( 6.058 2.696 -5.651) 8.712 7.221 ( -0.551 10.322 -1.241) 10.411 7.295 ( -1.177 -0.025 -4.021) 4.190 7.344 ( 0.109 -2.885 3.181) 4.296 7.433 ( 0.836 -9.113 -1.019) 9.208 7.635 ( 1.474 -0.681 3.754) 4.090 7.709 ( -4.897 -6.886 3.334) 9.083 7.743 ( -0.221 -9.507 1.022) 9.565 7.791 ( 3.654 -9.032 3.059) 10.212 8.589 ( -5.824 4.797 -1.027) 7.615 8.662 ( -4.290 -2.327 0.778) 4.942 8.732 ( 8.538 5.239 1.302) 10.101 8.804 ( 5.825 -1.869 2.401) 6.572 9.126 ( -1.581 3.316 -0.650) 3.730 9.169 ( 1.348 4.340 -1.322) 4.733 9.245 ( 0.203 -8.231 -1.163) 8.315 9.338 ( 0.169 -10.780 -2.923) 11.171 10.483 ( -0.602 1.460 -1.652) 2.285 10.505 ( -1.698 -0.931 -0.445) 1.987 10.639 ( 2.146 0.537 -5.257) 5.703 10.662 ( 3.034 -1.605 -4.294) 5.497 11.936 ( 0.977 3.446 4.098) 5.443 11.996 ( 0.732 -2.914 4.595) 5.490 12.104 ( -0.281 2.505 2.433) 3.504 12.138 ( -0.546 -1.358 4.120) 4.372 12.615 ( -0.899 5.627 -0.658) 5.737 12.720 ( -0.799 -0.295 -0.511) 0.994 12.747 ( -0.591 3.229 -2.808) 4.320 12.885 ( -0.452 -6.180 -2.363) 6.632 13.976 ( 0.187 6.274 1.598) 6.477 13.998 ( -0.079 5.930 1.021) 6.017 14.065 ( -0.458 -2.955 0.617) 3.053 14.094 ( 0.136 -3.824 0.512) 3.861 14.514 ( 0.626 12.292 -4.133) 12.983 14.558 ( -0.149 5.513 -5.859) 8.047 14.623 ( 1.100 -0.786 -2.748) 3.063 14.682 ( -0.691 -3.529 -4.919) 6.094 15.373 ( -0.992 7.973 7.579) 11.045 15.524 ( -5.035 18.072 9.317) 20.946 15.582 ( 2.431 -5.181 4.479) 7.267 15.712 ( 0.052 5.878 -2.804) 6.512 15.897 ( -0.452 -9.878 -5.942) 11.537 15.962 ( -0.892 -12.047 5.793) 13.397 15.993 ( 2.920 -2.035 -0.868) 3.663 16.210 ( 2.925 -13.638 1.006) 13.984 19.930 ( -4.408 3.422 0.368) 5.593 19.983 ( -4.626 -2.017 1.799) 5.358 20.124 ( 3.716 4.209 -0.895) 5.685 20.187 ( 3.693 -1.194 -0.394) 3.901 20.283 ( 2.289 5.634 -0.383) 6.094 20.392 ( -0.057 -4.391 3.119) 5.386 20.469 ( 0.364 7.519 -2.219) 7.848 20.597 ( -0.293 -4.968 2.941) 5.781 20.949 ( -1.240 5.790 0.235) 5.926 21.034 ( 1.271 7.388 -0.200) 7.500 21.094 ( -2.321 -8.791 -3.362) 9.694 21.212 ( 2.169 -10.253 -2.549) 10.786 22.013 ( -0.453 0.588 2.081) 2.210 22.026 ( -0.626 -0.717 2.400) 2.582 22.177 ( 0.228 0.293 -3.156) 3.178 22.191 ( 0.279 -1.120 -2.926) 3.145 ======================= Grid point 96 (54/90) ======================= q-point: (-0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 1.457 12.239 5.981) 13.700 1.404 ( -0.411 9.772 0.355) 9.787 1.470 ( -0.894 4.996 5.099) 7.195 1.612 ( 0.800 2.463 1.226) 2.865 1.628 ( -0.588 -2.927 0.623) 3.050 1.650 ( -0.528 3.836 -1.219) 4.060 1.685 ( 0.635 -0.490 -0.606) 1.005 1.732 ( -1.655 -0.154 -0.403) 1.710 1.778 ( 1.615 -3.501 -5.124) 6.413 1.802 ( -5.816 -3.788 -2.009) 7.226 1.944 ( 0.674 1.142 7.626) 7.741 1.985 ( -1.369 -1.075 4.612) 4.929 2.035 ( 3.789 0.766 2.357) 4.528 2.096 ( 2.377 -3.176 1.070) 4.109 2.178 ( 1.119 0.261 -6.061) 6.169 2.201 ( 3.058 -2.133 -2.726) 4.619 2.468 ( 0.407 4.970 0.758) 5.044 2.529 ( 3.009 3.951 -0.849) 5.038 2.573 ( -0.384 -3.536 0.791) 3.644 2.598 ( 1.719 -2.933 -0.669) 3.465 2.725 ( -1.803 0.304 2.932) 3.455 2.796 ( -1.089 -4.875 -0.423) 5.013 2.838 ( -0.927 -0.133 -1.481) 1.752 2.848 ( -0.567 -1.018 -3.019) 3.236 3.165 ( -1.300 3.715 4.400) 5.903 3.183 ( 0.510 1.478 0.491) 1.638 3.223 ( -0.765 3.735 -0.151) 3.816 3.276 ( -2.441 2.292 -1.721) 3.765 3.326 ( -0.493 -4.953 4.200) 6.513 3.423 ( 4.752 -9.241 -2.326) 10.648 3.508 ( 2.557 2.996 -6.746) 7.812 3.568 ( 4.757 -1.366 -2.400) 5.500 4.303 ( -3.182 3.449 4.468) 6.480 4.309 ( -2.260 3.926 4.299) 6.246 4.393 ( -1.233 4.981 -0.538) 5.159 4.404 ( -0.514 2.918 3.883) 4.884 4.545 ( -10.684 0.847 4.376) 11.576 4.559 ( -13.967 -0.691 2.874) 14.277 4.648 ( -2.007 4.555 6.689) 8.338 4.773 ( -0.109 -2.460 1.891) 3.105 4.781 ( -1.290 1.265 0.651) 1.920 4.850 ( -2.743 3.370 0.263) 4.353 4.957 ( -2.269 0.456 -2.132) 3.147 5.011 ( 1.289 1.133 -5.196) 5.472 5.181 ( -5.346 0.501 -1.324) 5.531 5.214 ( -5.412 -3.083 -2.099) 6.572 5.247 ( -2.614 1.651 -2.685) 4.095 5.308 ( -3.177 -3.723 -1.450) 5.104 5.437 ( -0.669 2.817 -0.633) 2.964 5.534 ( -3.163 -5.884 2.320) 7.072 5.665 ( -4.081 5.053 0.075) 6.495 5.742 ( -5.874 -0.481 0.603) 5.924 6.115 ( 14.656 -2.759 3.841) 15.401 6.125 ( 11.315 -2.501 2.558) 11.867 6.203 ( 5.908 0.732 -1.327) 6.099 6.216 ( 6.620 -0.791 -2.578) 7.148 6.951 ( -1.046 10.355 -1.035) 10.459 6.974 ( 1.134 8.796 -2.440) 9.199 7.077 ( 1.570 -1.091 1.756) 2.597 7.124 ( 1.583 -2.183 -2.707) 3.821 7.164 ( -0.410 9.533 -2.098) 9.769 7.257 ( 0.976 9.608 -2.690) 10.025 7.388 ( 0.532 -2.743 1.833) 3.342 7.424 ( 0.857 -10.925 -1.481) 11.058 7.662 ( -6.351 -3.523 2.510) 7.685 7.688 ( -2.272 1.987 1.155) 3.232 7.739 ( 0.802 -10.658 -0.561) 10.703 7.838 ( -0.383 -8.822 0.307) 8.836 8.477 ( -5.215 5.691 -2.136) 8.008 8.575 ( -6.085 -3.423 -1.223) 7.088 8.880 ( 7.395 4.424 0.955) 8.670 8.944 ( 7.899 -1.335 1.684) 8.186 9.096 ( -1.483 6.590 0.015) 6.755 9.176 ( 1.604 0.066 -0.535) 1.692 9.264 ( 1.334 -8.807 0.478) 8.921 9.300 ( 1.486 -10.510 -2.276) 10.855 10.469 ( 0.052 1.293 0.249) 1.317 10.493 ( -0.448 -1.189 0.783) 1.493 10.621 ( 3.841 1.756 -3.222) 5.312 10.663 ( 4.047 -2.480 -2.759) 5.490 12.015 ( 0.806 4.053 4.844) 6.367 12.072 ( 0.460 -1.884 4.101) 4.537 12.099 ( -0.052 2.464 -1.685) 2.986 12.145 ( -0.906 -2.003 -1.466) 2.643 12.577 ( -4.512 6.532 -0.191) 7.941 12.697 ( -3.694 -4.811 0.488) 6.085 12.716 ( 0.722 6.419 -0.684) 6.495 12.845 ( 0.765 -6.091 -2.170) 6.511 13.999 ( -0.481 5.584 0.207) 5.609 14.002 ( 0.121 6.136 1.008) 6.219 14.043 ( -1.805 -1.067 -0.333) 2.123 14.133 ( 2.125 -5.418 1.558) 6.025 14.472 ( -0.390 8.531 -3.445) 9.209 14.511 ( 1.780 10.604 -0.983) 10.797 14.574 ( -1.705 -2.545 -3.317) 4.515 14.665 ( 3.218 -3.977 -0.450) 5.136 15.436 ( -4.734 16.346 5.120) 17.771 15.541 ( -3.434 11.537 6.054) 13.474 15.625 ( 0.601 4.813 -5.564) 7.381 15.691 ( -1.890 -9.380 4.884) 10.743 15.804 ( 0.929 -9.395 -7.032) 11.772 15.981 ( -5.429 -21.924 3.566) 22.866 16.105 ( 10.411 6.709 0.981) 12.424 16.290 ( 5.564 -10.334 0.756) 11.761 19.866 ( -4.641 4.050 0.598) 6.189 19.931 ( -5.218 -2.674 1.345) 6.015 20.185 ( 6.784 5.008 -1.079) 8.501 20.254 ( 4.461 -0.173 1.597) 4.741 20.316 ( 1.164 5.319 0.139) 5.446 20.420 ( 0.191 5.746 -2.268) 6.180 20.460 ( -1.425 -4.493 5.045) 6.905 20.571 ( -1.591 -6.775 -4.912) 8.518 20.949 ( -0.489 3.379 1.283) 3.647 21.021 ( -3.385 -4.117 -0.781) 5.387 21.053 ( 1.930 7.179 -0.407) 7.445 21.223 ( 3.270 -9.826 -1.465) 10.459 22.039 ( -0.545 0.363 2.423) 2.510 22.049 ( -0.943 -0.740 2.465) 2.741 22.135 ( 0.055 0.594 -2.985) 3.044 22.150 ( -0.219 -0.911 -2.870) 3.019 ======================= Grid point 97 (55/90) ======================= q-point: (-0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.514 11.718 0.374) 11.821 1.464 ( 0.449 10.692 5.330) 11.955 1.499 ( -2.779 10.441 1.866) 10.965 1.596 ( -1.112 -0.907 -1.134) 1.829 1.636 ( -1.483 0.150 2.428) 2.849 1.649 ( 2.035 -2.995 -1.460) 3.904 1.688 ( -0.844 -3.701 -0.958) 3.916 1.696 ( -1.255 1.475 1.385) 2.381 1.719 ( -1.228 1.540 0.387) 2.008 1.817 ( 2.026 -5.747 5.031) 7.902 1.961 ( -1.790 -1.805 -2.247) 3.392 1.999 ( -3.035 -4.137 -5.637) 7.623 2.075 ( 2.915 3.331 2.442) 5.056 2.106 ( 1.530 0.110 -0.320) 1.567 2.186 ( 1.160 3.658 3.011) 4.878 2.247 ( 3.290 -1.749 1.471) 4.006 2.481 ( -0.150 4.098 0.619) 4.148 2.560 ( 1.828 0.420 -0.864) 2.065 2.576 ( 1.134 -0.297 -1.108) 1.613 2.615 ( 1.419 -1.805 0.231) 2.307 2.736 ( -0.392 -2.334 0.420) 2.403 2.787 ( -1.293 -5.623 0.691) 5.811 2.822 ( -1.158 -1.146 0.862) 1.843 2.832 ( -0.608 -1.489 2.663) 3.111 3.150 ( -2.706 2.922 -1.830) 4.383 3.193 ( 0.641 -0.247 -2.335) 2.434 3.233 ( -1.606 3.422 -0.242) 3.787 3.252 ( 2.220 10.761 3.867) 11.648 3.347 ( 0.451 -6.402 -4.795) 8.011 3.476 ( 2.542 3.061 2.528) 4.714 3.519 ( 4.747 -7.950 2.725) 9.652 3.589 ( 1.477 -4.949 -0.910) 5.244 4.273 ( -2.638 3.505 -2.972) 5.298 4.292 ( -0.851 2.959 -4.360) 5.337 4.354 ( -11.154 2.495 1.547) 11.533 4.387 ( -1.531 5.311 0.671) 5.568 4.397 ( -12.356 -0.730 6.693) 14.071 4.461 ( -3.022 -0.242 2.984) 4.253 4.660 ( -0.170 3.274 -4.791) 5.806 4.777 ( -0.889 -5.782 -0.644) 5.885 4.786 ( -0.765 5.107 1.244) 5.312 4.829 ( -0.493 4.997 1.314) 5.190 4.916 ( -1.859 0.699 -0.537) 2.057 5.015 ( 1.168 2.000 3.173) 3.928 5.108 ( -4.242 -2.730 2.528) 5.643 5.140 ( -4.947 -5.324 2.766) 7.776 5.237 ( -0.581 2.391 3.270) 4.092 5.282 ( -1.953 -2.315 3.785) 4.847 5.434 ( 0.715 1.897 -0.866) 2.204 5.509 ( -1.717 -5.262 -0.206) 5.539 5.628 ( -3.767 6.650 4.180) 8.711 5.704 ( -4.230 0.162 4.809) 6.407 6.230 ( 2.439 1.145 -1.164) 2.935 6.242 ( 2.797 -0.108 -1.429) 3.143 6.300 ( 10.346 -1.364 -4.911) 11.533 6.312 ( 10.330 -2.678 -4.876) 11.733 6.940 ( 1.210 13.470 -1.606) 13.619 6.991 ( 1.848 4.528 -1.746) 5.193 7.033 ( -0.878 3.808 -1.224) 4.095 7.145 ( 1.852 1.583 -4.024) 4.704 7.182 ( 1.475 -2.582 2.212) 3.706 7.256 ( -0.696 10.534 2.835) 10.931 7.406 ( 1.567 -1.885 -0.121) 2.455 7.435 ( 2.465 -13.627 -0.365) 13.853 7.576 ( -6.218 0.308 -0.812) 6.278 7.627 ( -4.859 6.559 -0.847) 8.206 7.748 ( 1.278 -13.290 -2.465) 13.577 7.816 ( -1.251 -9.916 1.011) 10.046 8.430 ( -0.779 5.278 2.622) 5.945 8.503 ( -3.723 -1.847 2.197) 4.701 8.947 ( 2.600 4.269 -0.783) 5.060 9.027 ( 2.887 -3.915 -1.365) 5.052 9.094 ( 1.052 11.812 -0.530) 11.870 9.191 ( 1.479 -2.400 -0.599) 2.883 9.260 ( 0.647 -8.625 -0.544) 8.666 9.337 ( 2.240 -12.081 -0.261) 12.290 10.483 ( -0.303 1.038 1.607) 1.937 10.501 ( -0.320 -0.795 0.587) 1.039 10.646 ( 3.891 1.996 -2.430) 5.003 10.689 ( 3.645 -2.409 -2.319) 4.947 12.044 ( 0.804 4.371 -2.878) 5.295 12.083 ( 0.425 2.138 1.134) 2.458 12.098 ( -0.063 -1.960 -3.288) 3.828 12.124 ( -0.859 -1.764 1.649) 2.563 12.510 ( -3.200 7.409 0.408) 8.081 12.644 ( -2.676 -5.208 0.339) 5.865 12.730 ( -0.117 5.968 1.238) 6.096 12.856 ( 0.049 -6.266 1.750) 6.505 13.991 ( -0.119 2.506 -0.136) 2.513 14.008 ( -0.189 9.246 -0.229) 9.251 14.020 ( -0.897 -0.577 -0.071) 1.069 14.168 ( 1.112 -7.274 -0.567) 7.380 14.455 ( 0.338 6.981 1.489) 7.146 14.534 ( 0.223 5.420 0.976) 5.511 14.542 ( -0.155 5.585 1.972) 5.925 14.714 ( 2.112 -4.785 1.161) 5.358 15.373 ( -4.605 25.893 -2.075) 26.381 15.530 ( -0.246 5.639 -7.580) 9.451 15.619 ( -0.009 5.742 7.482) 9.431 15.677 ( -1.571 -12.790 -3.712) 13.410 15.804 ( 1.058 -11.421 4.888) 12.467 15.928 ( -3.294 -24.107 -1.668) 24.388 16.233 ( 6.996 5.136 -2.268) 8.971 16.353 ( 3.187 -6.748 -1.393) 7.592 19.826 ( -2.944 3.972 1.551) 5.181 19.885 ( -3.486 -2.238 1.451) 4.390 20.244 ( 3.760 6.120 -6.782) 9.879 20.302 ( 1.963 5.778 -0.340) 6.112 20.343 ( 5.736 -2.494 -1.247) 6.377 20.422 ( -1.533 1.645 -0.807) 2.389 20.437 ( -1.092 -1.484 0.058) 1.844 20.537 ( -2.901 -5.510 6.870) 9.272 20.954 ( 0.006 1.636 -0.167) 1.645 20.986 ( -2.350 -1.788 1.622) 3.369 21.071 ( 1.421 7.723 -0.918) 7.906 21.253 ( 2.260 -10.638 -0.548) 10.889 22.057 ( -1.282 0.035 1.943) 2.328 22.061 ( -1.557 -0.449 1.804) 2.425 22.108 ( 1.078 0.410 -1.786) 2.126 22.117 ( 0.464 -0.472 -1.840) 1.955 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.440 0.000 16.163) 16.169 0.807 ( -7.888 0.000 17.872) 19.536 1.074 ( -1.558 0.000 -11.982) 12.083 1.153 ( 3.916 0.000 -15.530) 16.016 1.359 ( 3.864 0.000 12.038) 12.642 1.469 ( -2.210 0.000 2.346) 3.223 1.537 ( -7.561 0.000 17.361) 18.936 1.629 ( -9.983 0.000 17.941) 20.532 1.766 ( 5.228 0.000 -2.499) 5.795 1.805 ( -2.781 0.000 0.895) 2.922 1.826 ( 4.238 0.000 7.980) 9.036 1.864 ( -0.433 0.000 -15.784) 15.790 1.876 ( 0.116 0.000 8.525) 8.526 1.963 ( -0.248 0.000 10.288) 10.291 2.120 ( -0.493 0.000 0.875) 1.005 2.140 ( 1.842 0.000 -5.517) 5.816 2.198 ( 1.941 0.000 -9.228) 9.430 2.248 ( -2.684 0.000 4.737) 5.444 2.340 ( 1.047 0.000 -5.702) 5.797 2.348 ( 3.097 0.000 -22.514) 22.726 2.756 ( -1.044 0.000 -1.228) 1.612 2.785 ( 1.358 0.000 -4.468) 4.669 3.190 ( 1.495 0.000 8.865) 8.990 3.287 ( -2.442 0.000 6.573) 7.012 3.317 ( -4.342 0.000 -1.491) 4.591 3.347 ( 1.976 0.000 5.138) 5.504 3.374 ( 1.908 0.000 -1.974) 2.745 3.417 ( 0.059 0.000 -0.563) 0.566 3.445 ( 0.276 0.000 1.783) 1.805 3.469 ( 0.110 0.000 -0.852) 0.859 3.732 ( -0.735 0.000 1.344) 1.532 3.733 ( 0.937 0.000 1.091) 1.439 3.941 ( -1.413 0.000 4.586) 4.799 3.958 ( -1.477 0.000 1.054) 1.814 3.974 ( 0.335 0.000 6.713) 6.721 4.042 ( 1.356 0.000 -7.667) 7.786 4.091 ( -0.565 0.000 -4.770) 4.804 4.119 ( 1.771 0.000 -12.825) 12.946 4.318 ( 0.521 0.000 -0.773) 0.932 4.330 ( -1.129 0.000 -2.247) 2.515 4.814 ( -5.609 0.000 11.921) 13.175 4.906 ( -1.168 0.000 5.764) 5.882 4.910 ( 1.882 0.000 6.975) 7.224 4.998 ( 0.107 0.000 -3.870) 3.872 5.003 ( 2.683 0.000 4.703) 5.415 5.132 ( -7.690 0.000 2.384) 8.051 5.209 ( 1.982 0.000 -0.431) 2.028 5.214 ( 0.475 0.000 -3.171) 3.206 5.408 ( 1.520 0.000 2.177) 2.656 5.616 ( 1.965 0.000 -14.332) 14.466 5.758 ( 0.804 0.000 -0.556) 0.978 5.766 ( -0.266 0.000 -0.900) 0.938 6.245 ( 1.163 0.000 4.669) 4.812 6.249 ( -2.615 0.000 6.133) 6.667 6.314 ( -0.661 0.000 -2.674) 2.755 6.377 ( 3.421 0.000 -6.759) 7.576 6.479 ( 4.119 0.000 0.630) 4.167 6.480 ( -3.294 0.000 -0.012) 3.294 6.735 ( -4.132 0.000 9.857) 10.688 6.928 ( 4.251 0.000 -9.498) 10.406 7.173 ( 0.301 0.000 1.071) 1.112 7.177 ( -0.871 0.000 7.564) 7.614 7.241 ( -0.355 0.000 -5.563) 5.575 7.350 ( -0.312 0.000 -9.787) 9.792 7.729 ( -0.042 0.000 1.695) 1.696 7.767 ( 0.932 0.000 -3.167) 3.301 8.353 ( 0.619 0.000 6.378) 6.408 8.444 ( -0.422 0.000 -2.976) 3.006 8.597 ( -1.780 0.000 8.388) 8.574 8.759 ( 1.151 0.000 -7.719) 7.804 8.963 ( -2.414 0.000 12.326) 12.560 9.194 ( 2.225 0.000 -11.307) 11.524 9.390 ( -1.050 0.000 14.920) 14.957 9.669 ( 0.329 0.000 -12.902) 12.906 9.926 ( -0.802 0.000 5.830) 5.885 10.063 ( 1.751 0.000 -8.064) 8.251 10.381 ( -3.304 0.000 -0.397) 3.328 10.412 ( 4.707 0.000 -4.003) 6.179 10.618 ( -0.700 0.000 8.152) 8.182 10.757 ( 0.180 0.000 -5.022) 5.025 11.100 ( 2.221 0.000 -1.651) 2.767 11.127 ( -1.679 0.000 -3.214) 3.626 11.969 ( 4.144 0.000 7.171) 8.283 12.077 ( -4.519 0.000 -4.108) 6.107 12.316 ( 3.897 0.000 4.957) 6.305 12.347 ( 3.696 0.000 3.028) 4.779 12.363 ( -3.944 0.000 -0.859) 4.036 12.451 ( -3.690 0.000 -6.471) 7.450 13.519 ( 0.842 0.000 1.630) 1.835 13.557 ( -1.512 0.000 -2.026) 2.529 13.595 ( 0.102 0.000 0.799) 0.805 13.612 ( 0.783 0.000 -0.828) 1.140 14.106 ( -1.407 0.000 5.401) 5.582 14.236 ( 1.328 0.000 -8.074) 8.182 14.801 ( -0.267 0.000 12.996) 12.999 14.948 ( -1.762 0.000 1.730) 2.469 14.951 ( 2.094 0.000 1.737) 2.721 15.061 ( -0.203 0.000 -13.690) 13.691 16.041 ( 0.146 0.000 4.569) 4.571 16.111 ( -0.128 0.000 -2.705) 2.708 16.500 ( 0.467 0.000 1.978) 2.032 16.531 ( -0.870 0.000 -0.623) 1.070 16.714 ( 0.769 0.000 5.528) 5.581 16.847 ( -0.358 0.000 -7.540) 7.549 19.480 ( 0.680 0.000 5.041) 5.087 19.570 ( 0.999 0.000 3.674) 3.807 19.588 ( -0.209 0.000 -6.101) 6.104 19.653 ( -1.270 0.000 -5.011) 5.169 20.266 ( -1.000 0.000 5.459) 5.550 20.289 ( -2.309 0.000 10.754) 10.999 20.355 ( 1.256 0.000 -3.967) 4.161 20.500 ( 1.923 0.000 -10.862) 11.031 20.704 ( -1.191 0.000 3.305) 3.513 20.776 ( 1.144 0.000 -3.947) 4.110 22.047 ( -2.261 0.000 0.492) 2.314 22.059 ( 2.351 0.000 -0.790) 2.480 22.100 ( -2.438 0.000 1.419) 2.821 22.121 ( 2.565 0.000 -0.686) 2.655 22.373 ( 1.631 0.000 6.626) 6.824 22.484 ( -1.723 0.000 -4.793) 5.094 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.724 0.000 -11.548) 11.676 0.922 ( 0.515 0.000 -2.943) 2.988 0.957 ( -10.074 0.000 18.198) 20.800 1.066 ( 3.126 0.000 2.965) 4.308 1.303 ( -12.006 0.000 -4.969) 12.994 1.466 ( -2.752 0.000 0.288) 2.767 1.591 ( -12.995 0.000 9.364) 16.018 1.610 ( -4.768 0.000 -10.271) 11.323 1.728 ( -3.650 0.000 14.487) 14.940 1.756 ( -0.605 0.000 -8.281) 8.304 1.815 ( -0.111 0.000 -0.444) 0.458 1.870 ( 0.874 0.000 -1.249) 1.525 2.036 ( 6.967 0.000 -12.040) 13.911 2.093 ( 0.453 0.000 7.640) 7.654 2.103 ( 8.325 0.000 -20.070) 21.728 2.160 ( 3.086 0.000 4.617) 5.553 2.163 ( 4.262 0.000 -3.187) 5.322 2.236 ( 3.634 0.000 21.392) 21.698 2.293 ( -0.890 0.000 3.508) 3.619 2.325 ( 4.382 0.000 -3.098) 5.366 2.755 ( 0.116 0.000 3.053) 3.056 2.784 ( 2.818 0.000 -1.000) 2.990 3.166 ( -7.000 0.000 -5.632) 8.984 3.253 ( -5.519 0.000 3.737) 6.665 3.334 ( -1.659 0.000 2.295) 2.832 3.356 ( 1.924 0.000 -3.607) 4.088 3.417 ( 0.672 0.000 1.259) 1.427 3.418 ( 3.476 0.000 -2.894) 4.523 3.457 ( 0.534 0.000 -1.681) 1.764 3.473 ( 1.519 0.000 0.638) 1.648 3.732 ( 0.223 0.000 -0.746) 0.779 3.755 ( 1.470 0.000 -0.936) 1.743 3.957 ( -0.929 0.000 -3.227) 3.358 3.963 ( -3.990 0.000 4.693) 6.160 4.007 ( 0.048 0.000 -4.613) 4.613 4.041 ( 4.633 0.000 -5.547) 7.228 4.070 ( 4.080 0.000 11.120) 11.845 4.077 ( 2.667 0.000 3.026) 4.033 4.316 ( 0.486 0.000 0.154) 0.510 4.349 ( 3.033 0.000 1.979) 3.622 4.881 ( -3.461 0.000 3.591) 4.987 4.923 ( -0.342 0.000 -6.484) 6.493 4.952 ( -4.738 0.000 -2.566) 5.388 4.974 ( 5.517 0.000 -3.796) 6.696 4.997 ( -0.495 0.000 2.404) 2.455 5.115 ( -1.442 0.000 8.526) 8.647 5.192 ( -0.627 0.000 -0.378) 0.733 5.264 ( 2.562 0.000 2.363) 3.485 5.451 ( 3.494 0.000 -12.978) 13.440 5.498 ( -3.932 0.000 10.791) 11.485 5.737 ( -2.354 0.000 -0.499) 2.407 5.761 ( -0.410 0.000 0.326) 0.524 6.167 ( -13.516 0.000 3.027) 13.851 6.225 ( -5.628 0.000 -4.879) 7.449 6.348 ( 0.630 0.000 0.644) 0.901 6.369 ( 1.837 0.000 -2.458) 3.069 6.396 ( -2.387 0.000 0.369) 2.415 6.491 ( 0.973 0.000 -0.602) 1.144 6.751 ( -11.331 0.000 7.465) 13.569 6.798 ( -2.746 0.000 -7.819) 8.287 7.194 ( -3.589 0.000 -6.158) 7.127 7.197 ( -2.650 0.000 -1.051) 2.851 7.261 ( 5.647 0.000 3.650) 6.724 7.267 ( 1.364 0.000 7.145) 7.274 7.852 ( 12.576 0.000 2.021) 12.738 7.860 ( 14.705 0.000 -2.070) 14.850 8.387 ( 0.732 0.000 -6.293) 6.335 8.440 ( 0.658 0.000 3.387) 3.450 8.673 ( 2.692 0.000 -4.479) 5.225 8.680 ( -3.715 0.000 7.573) 8.435 9.047 ( -0.170 0.000 -11.827) 11.828 9.078 ( -4.956 0.000 11.775) 12.776 9.479 ( 0.162 0.000 -12.512) 12.513 9.562 ( -3.398 0.000 12.477) 12.931 10.015 ( 5.879 0.000 -7.120) 9.233 10.032 ( 2.776 0.000 6.043) 6.651 10.365 ( 0.276 0.000 1.687) 1.709 10.465 ( 7.407 0.000 -1.816) 7.627 10.671 ( 1.149 0.000 -7.991) 8.074 10.718 ( -0.453 0.000 7.701) 7.715 11.054 ( -4.031 0.000 -0.748) 4.100 11.128 ( 0.438 0.000 1.810) 1.862 11.808 ( -19.415 0.000 -4.860) 20.014 11.959 ( -13.762 0.000 3.075) 14.101 12.298 ( -2.608 0.000 -0.842) 2.740 12.370 ( 2.376 0.000 -5.862) 6.326 12.418 ( 4.221 0.000 0.560) 4.258 12.526 ( 8.762 0.000 5.955) 10.595 13.506 ( -2.164 0.000 -1.193) 2.472 13.551 ( -0.446 0.000 1.793) 1.848 13.594 ( -0.887 0.000 0.545) 1.041 13.598 ( -0.126 0.000 -1.236) 1.243 14.189 ( 4.855 0.000 -4.272) 6.467 14.196 ( 1.433 0.000 6.018) 6.186 14.889 ( -0.181 0.000 -7.924) 7.926 14.962 ( 4.631 0.000 -5.826) 7.442 14.965 ( 1.660 0.000 2.730) 3.196 15.052 ( 6.711 0.000 9.799) 11.877 15.963 ( -12.343 0.000 -7.451) 14.418 16.020 ( -9.624 0.000 5.375) 11.023 16.520 ( 1.273 0.000 -2.191) 2.534 16.559 ( 3.163 0.000 2.000) 3.742 16.757 ( 1.644 0.000 -5.176) 5.431 16.824 ( 1.820 0.000 6.433) 6.686 19.527 ( 2.701 0.000 -5.549) 6.171 19.582 ( 2.669 0.000 4.608) 5.325 19.608 ( 3.600 0.000 -5.215) 6.337 19.693 ( 7.933 0.000 7.469) 10.895 20.266 ( -6.953 0.000 4.236) 8.142 20.271 ( -3.472 0.000 -4.562) 5.732 20.366 ( -0.378 0.000 -11.484) 11.490 20.409 ( -2.950 0.000 11.842) 12.204 20.752 ( 0.809 0.000 3.732) 3.819 20.757 ( 3.303 0.000 -3.391) 4.733 22.007 ( -5.754 0.000 1.012) 5.842 22.053 ( -4.040 0.000 0.947) 4.150 22.063 ( -2.485 0.000 -1.414) 2.859 22.113 ( 0.647 0.000 -1.272) 1.427 22.396 ( -0.348 0.000 -5.426) 5.437 22.489 ( 2.783 0.000 3.677) 4.612 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 6.073 0.000 -12.689) 14.067 0.856 ( 5.103 0.000 -7.649) 9.195 1.055 ( -10.937 0.000 -5.658) 12.314 1.111 ( -8.686 0.000 21.250) 22.956 1.124 ( -7.520 0.000 2.082) 7.802 1.374 ( -2.716 0.000 -5.228) 5.892 1.467 ( 3.886 0.000 -12.231) 12.833 1.515 ( -12.888 0.000 7.189) 14.757 1.560 ( 3.947 0.000 -7.941) 8.868 1.795 ( -9.793 0.000 4.577) 10.810 1.844 ( -0.218 0.000 2.650) 2.659 1.867 ( 0.782 0.000 4.040) 4.114 1.978 ( 8.814 0.000 -16.085) 18.341 2.077 ( 9.619 0.000 -6.155) 11.420 2.165 ( -3.388 0.000 3.141) 4.620 2.207 ( 4.915 0.000 0.518) 4.942 2.243 ( -2.959 0.000 1.917) 3.526 2.269 ( -0.553 0.000 0.808) 0.979 2.380 ( 7.178 0.000 -1.707) 7.378 2.488 ( -2.151 0.000 11.477) 11.677 2.833 ( 3.717 0.000 1.412) 3.976 2.849 ( 2.529 0.000 6.817) 7.271 3.002 ( -4.658 0.000 -3.687) 5.941 3.189 ( -5.403 0.000 -0.107) 5.404 3.319 ( -1.880 0.000 0.020) 1.881 3.320 ( 2.670 0.000 -5.801) 6.386 3.397 ( -0.905 0.000 -2.416) 2.580 3.427 ( 1.660 0.000 -2.431) 2.943 3.453 ( 0.883 0.000 -1.086) 1.399 3.493 ( 1.361 0.000 -1.197) 1.812 3.712 ( -0.164 0.000 -2.733) 2.738 3.732 ( 0.024 0.000 -4.383) 4.383 3.907 ( -0.945 0.000 -3.527) 3.651 3.928 ( -0.053 0.000 -0.376) 0.379 4.025 ( -2.503 0.000 6.034) 6.532 4.040 ( 3.336 0.000 -3.842) 5.088 4.156 ( 3.784 0.000 1.498) 4.070 4.308 ( -2.235 0.000 1.123) 2.501 4.343 ( 7.094 0.000 11.348) 13.383 4.452 ( 4.533 0.000 4.188) 6.171 4.766 ( -3.584 0.000 -4.686) 5.899 4.803 ( -1.246 0.000 -7.890) 7.987 4.854 ( -3.970 0.000 -1.584) 4.275 5.020 ( 4.112 0.000 -0.008) 4.112 5.105 ( 3.233 0.000 5.052) 5.998 5.165 ( -0.632 0.000 2.584) 2.660 5.226 ( 1.040 0.000 3.024) 3.198 5.330 ( 0.820 0.000 3.640) 3.731 5.430 ( 11.073 0.000 -5.125) 12.201 5.538 ( -8.540 0.000 8.166) 11.816 5.715 ( -3.922 0.000 5.571) 6.813 5.754 ( -0.188 0.000 -0.236) 0.302 5.988 ( -15.020 0.000 2.373) 15.206 6.020 ( -5.763 0.000 -11.047) 12.460 6.296 ( -3.222 0.000 -1.037) 3.385 6.333 ( -2.304 0.000 2.980) 3.767 6.458 ( 4.780 0.000 0.146) 4.782 6.548 ( 5.920 0.000 -1.665) 6.150 6.650 ( -11.910 0.000 4.185) 12.624 6.692 ( -0.729 0.000 -3.791) 3.860 7.075 ( -2.862 0.000 -4.747) 5.543 7.089 ( -7.383 0.000 -3.213) 8.052 7.415 ( 5.989 0.000 6.190) 8.613 7.435 ( 4.907 0.000 9.246) 10.468 8.024 ( 12.108 0.000 -6.122) 13.567 8.073 ( 10.523 0.000 0.593) 10.540 8.318 ( 4.780 0.000 -5.249) 7.100 8.436 ( 0.232 0.000 1.000) 1.027 8.693 ( -7.376 0.000 6.425) 9.782 8.817 ( 3.090 0.000 8.342) 8.896 8.902 ( 4.135 0.000 -5.389) 6.793 9.137 ( -7.792 0.000 10.380) 12.979 9.368 ( 4.758 0.000 -8.953) 10.139 9.605 ( -8.032 0.000 5.785) 9.898 10.026 ( 7.574 0.000 -5.503) 9.362 10.099 ( -0.698 0.000 0.829) 1.084 10.400 ( -0.872 0.000 0.349) 0.939 10.487 ( -0.138 0.000 -6.750) 6.751 10.649 ( 11.007 0.000 -4.497) 11.890 10.834 ( 3.809 0.000 7.048) 8.012 11.003 ( -9.138 0.000 6.007) 10.935 11.138 ( -2.142 0.000 1.117) 2.416 11.485 ( -14.233 0.000 -5.230) 15.163 11.700 ( -15.050 0.000 -8.449) 17.259 12.284 ( 0.023 0.000 1.959) 1.959 12.351 ( 3.400 0.000 -2.633) 4.300 12.463 ( 2.676 0.000 -1.240) 2.950 12.655 ( 1.802 0.000 1.136) 2.130 13.474 ( -1.302 0.000 0.291) 1.335 13.531 ( -1.554 0.000 -0.912) 1.802 13.593 ( -0.421 0.000 0.644) 0.770 13.613 ( 0.923 0.000 1.391) 1.669 14.258 ( 5.303 0.000 2.732) 5.965 14.289 ( 0.165 0.000 5.831) 5.834 14.807 ( 3.117 0.000 -6.802) 7.482 14.954 ( 5.612 0.000 -6.653) 8.704 14.972 ( 1.107 0.000 -3.338) 3.517 15.285 ( 2.344 0.000 5.237) 5.737 15.605 ( -9.503 0.000 -12.502) 15.704 15.942 ( -11.068 0.000 4.815) 12.070 16.503 ( 0.956 0.000 -2.406) 2.589 16.565 ( 0.181 0.000 -4.158) 4.162 16.825 ( 4.616 0.000 6.693) 8.130 16.926 ( 0.485 0.000 5.992) 6.012 19.504 ( 4.087 0.000 -5.037) 6.486 19.614 ( 5.775 0.000 -3.417) 6.710 19.641 ( 0.064 0.000 0.591) 0.594 19.959 ( 2.605 0.000 7.693) 8.122 20.153 ( -2.468 0.000 -7.508) 7.903 20.208 ( -7.748 0.000 3.024) 8.317 20.269 ( 7.543 0.000 4.330) 8.697 20.533 ( -4.103 0.000 14.068) 14.654 20.779 ( 4.839 0.000 -1.733) 5.140 20.813 ( 0.622 0.000 3.271) 3.329 21.917 ( -8.432 0.000 1.394) 8.546 21.936 ( -5.988 0.000 -6.868) 9.112 22.034 ( -1.287 0.000 1.063) 1.669 22.119 ( 2.020 0.000 -1.907) 2.778 22.315 ( 0.442 0.000 -6.785) 6.799 22.488 ( -0.741 0.000 -6.685) 6.726 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 3.849 0.000 -2.493) 4.586 0.777 ( -4.731 0.000 -6.610) 8.129 0.847 ( -0.472 0.000 -10.054) 10.065 1.031 ( -3.332 0.000 -9.552) 10.117 1.222 ( 6.935 0.000 -1.827) 7.172 1.284 ( -8.736 0.000 19.459) 21.330 1.413 ( -13.150 0.000 5.019) 14.076 1.518 ( 6.323 0.000 -1.101) 6.418 1.622 ( 10.371 0.000 -1.132) 10.433 1.687 ( -12.816 0.000 5.179) 13.823 1.870 ( 0.047 0.000 1.618) 1.618 1.912 ( -0.156 0.000 0.990) 1.002 1.928 ( 10.820 0.000 -11.564) 15.837 2.006 ( -10.214 0.000 -6.943) 12.351 2.110 ( 7.762 0.000 -5.256) 9.374 2.181 ( -6.718 0.000 -0.056) 6.718 2.316 ( -4.721 0.000 6.899) 8.360 2.317 ( 7.095 0.000 2.634) 7.569 2.455 ( 7.619 0.000 -3.564) 8.412 2.487 ( -6.935 0.000 1.152) 7.030 2.910 ( 3.447 0.000 1.380) 3.713 2.950 ( -2.044 0.000 1.332) 2.439 2.985 ( 5.092 0.000 3.782) 6.343 3.114 ( -4.486 0.000 -0.516) 4.515 3.290 ( 2.932 0.000 -4.098) 5.039 3.293 ( -3.199 0.000 0.715) 3.278 3.356 ( -0.125 0.000 -2.095) 2.098 3.389 ( -0.395 0.000 -3.359) 3.382 3.447 ( 0.586 0.000 -0.510) 0.777 3.484 ( 0.118 0.000 -1.508) 1.513 3.654 ( -1.405 0.000 -3.265) 3.554 3.662 ( 0.414 0.000 -4.695) 4.713 3.869 ( 0.171 0.000 -1.585) 1.594 3.915 ( 0.086 0.000 -2.827) 2.828 4.044 ( 2.683 0.000 -0.244) 2.694 4.065 ( -3.977 0.000 5.314) 6.638 4.209 ( 4.061 0.000 -2.058) 4.553 4.213 ( -5.479 0.000 -2.092) 5.865 4.536 ( 1.918 0.000 5.735) 6.047 4.560 ( 3.203 0.000 3.092) 4.452 4.692 ( -3.775 0.000 -2.843) 4.726 4.701 ( -0.829 0.000 -5.013) 5.081 4.894 ( 6.188 0.000 8.189) 10.264 5.031 ( -6.889 0.000 4.765) 8.376 5.152 ( -4.009 0.000 -1.257) 4.201 5.209 ( 5.821 0.000 -4.232) 7.197 5.270 ( 3.303 0.000 2.915) 4.405 5.353 ( -4.867 0.000 1.818) 5.195 5.564 ( -4.613 0.000 9.735) 10.772 5.589 ( 15.030 0.000 -0.052) 15.030 5.751 ( -7.891 0.000 8.827) 11.840 5.769 ( 2.969 0.000 -0.078) 2.970 5.837 ( -8.428 0.000 0.596) 8.449 5.856 ( 3.805 0.000 -9.015) 9.785 6.324 ( 2.839 0.000 4.850) 5.619 6.337 ( -4.863 0.000 5.369) 7.244 6.519 ( 1.726 0.000 2.363) 2.926 6.554 ( -4.810 0.000 -0.993) 4.911 6.569 ( 4.018 0.000 -5.881) 7.123 6.649 ( -0.649 0.000 -2.526) 2.608 6.953 ( -3.517 0.000 -3.029) 4.642 6.989 ( -0.867 0.000 -3.938) 4.033 7.581 ( 4.684 0.000 6.269) 7.826 7.603 ( 0.429 0.000 8.143) 8.155 8.018 ( 4.943 0.000 -8.613) 9.931 8.049 ( -3.451 0.000 -5.609) 6.586 8.472 ( 14.220 0.000 1.563) 14.305 8.547 ( 7.540 0.000 4.479) 8.769 8.656 ( -8.529 0.000 5.087) 9.931 8.706 ( -8.773 0.000 -3.362) 9.395 9.145 ( 5.760 0.000 9.817) 11.382 9.158 ( -7.183 0.000 9.464) 11.881 9.380 ( 9.491 0.000 -3.284) 10.043 9.505 ( -11.615 0.000 1.242) 11.681 10.065 ( -3.797 0.000 0.384) 3.816 10.077 ( 6.352 0.000 -1.536) 6.535 10.319 ( -3.607 0.000 -5.784) 6.816 10.336 ( 0.673 0.000 -13.051) 13.068 10.799 ( 15.944 0.000 -2.876) 16.202 10.901 ( -16.329 0.000 5.909) 17.366 11.008 ( 4.320 0.000 7.262) 8.449 11.106 ( -2.797 0.000 0.291) 2.812 11.305 ( -2.814 0.000 -3.968) 4.864 11.421 ( -3.430 0.000 -10.640) 11.179 12.340 ( 0.604 0.000 4.182) 4.226 12.408 ( 5.604 0.000 2.076) 5.976 12.459 ( 0.574 0.000 -2.786) 2.844 12.620 ( -3.633 0.000 -3.381) 4.963 13.478 ( 0.166 0.000 1.263) 1.274 13.507 ( -0.877 0.000 -0.240) 0.909 13.601 ( 0.024 0.000 1.040) 1.040 13.634 ( 0.106 0.000 0.221) 0.245 14.365 ( 0.301 0.000 5.395) 5.404 14.372 ( 0.857 0.000 6.079) 6.139 14.791 ( 3.233 0.000 -2.478) 4.074 14.907 ( -2.127 0.000 -5.445) 5.845 14.933 ( 5.697 0.000 -8.366) 10.122 15.048 ( -7.858 0.000 -14.076) 16.121 15.665 ( 11.117 0.000 3.694) 11.714 15.835 ( -11.530 0.000 3.037) 11.923 16.486 ( 0.615 0.000 -1.631) 1.743 16.509 ( -0.405 0.000 -3.042) 3.069 16.970 ( 1.782 0.000 6.237) 6.487 16.997 ( -0.553 0.000 4.496) 4.530 19.509 ( 4.601 0.000 -3.113) 5.555 19.591 ( -3.844 0.000 -3.143) 4.965 19.682 ( 8.130 0.000 -1.280) 8.230 19.850 ( -9.722 0.000 -3.817) 10.444 20.111 ( 4.366 0.000 -2.395) 4.980 20.138 ( -6.653 0.000 1.878) 6.913 20.636 ( 7.380 0.000 15.986) 17.608 20.673 ( -4.096 0.000 14.031) 14.616 20.862 ( -0.567 0.000 5.287) 5.317 20.865 ( 5.325 0.000 5.243) 7.473 21.754 ( 4.052 0.000 -14.299) 14.862 21.789 ( -9.888 0.000 -2.863) 10.294 22.034 ( -0.914 0.000 1.262) 1.558 22.107 ( 1.115 0.000 -3.154) 3.346 22.239 ( 1.292 0.000 -5.074) 5.236 22.341 ( -1.278 0.000 -9.858) 9.940 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -14.563 0.000 5.442) 15.546 0.668 ( -9.380 0.000 4.802) 10.538 0.839 ( 3.142 0.000 -11.305) 11.734 0.904 ( 15.095 0.000 -1.888) 15.212 1.192 ( -21.733 0.000 6.419) 22.662 1.424 ( 10.750 0.000 4.455) 11.637 1.428 ( -4.562 0.000 8.383) 9.543 1.544 ( 4.709 0.000 -7.259) 8.653 1.586 ( -11.024 0.000 3.810) 11.664 1.776 ( 11.348 0.000 -1.029) 11.395 1.797 ( -9.934 0.000 0.033) 9.934 1.900 ( -0.615 0.000 -1.598) 1.712 1.911 ( 4.357 0.000 2.262) 4.909 1.959 ( 10.314 0.000 -6.432) 12.156 2.054 ( -8.911 0.000 0.011) 8.911 2.187 ( 8.652 0.000 -1.128) 8.725 2.293 ( -10.955 0.000 5.820) 12.405 2.403 ( -5.316 0.000 0.345) 5.327 2.453 ( 2.643 0.000 2.499) 3.637 2.489 ( 10.821 0.000 -7.280) 13.041 2.923 ( -2.302 0.000 -0.386) 2.334 2.951 ( 1.255 0.000 -0.130) 1.262 3.038 ( -4.983 0.000 -1.093) 5.102 3.092 ( 3.499 0.000 1.874) 3.969 3.232 ( -6.376 0.000 1.618) 6.578 3.301 ( 2.718 0.000 -0.289) 2.733 3.344 ( 0.332 0.000 0.300) 0.447 3.359 ( 1.215 0.000 -1.739) 2.122 3.455 ( -1.124 0.000 -1.457) 1.840 3.468 ( 1.360 0.000 0.832) 1.595 3.614 ( -0.264 0.000 -0.125) 0.292 3.636 ( 1.835 0.000 -1.543) 2.397 3.866 ( -0.098 0.000 1.250) 1.253 3.867 ( -1.218 0.000 -1.808) 2.180 4.034 ( -4.735 0.000 1.476) 4.960 4.122 ( 6.549 0.000 1.554) 6.731 4.178 ( -0.568 0.000 1.318) 1.435 4.218 ( 3.534 0.000 -4.237) 5.518 4.570 ( -6.346 0.000 1.774) 6.590 4.599 ( -3.808 0.000 0.569) 3.850 4.647 ( 2.640 0.000 1.154) 2.881 4.666 ( 5.557 0.000 -2.024) 5.914 4.973 ( -9.535 0.000 1.782) 9.700 5.069 ( -4.795 0.000 2.762) 5.534 5.095 ( 2.765 0.000 5.966) 6.575 5.177 ( -0.348 0.000 -4.470) 4.483 5.290 ( -2.001 0.000 -0.711) 2.124 5.355 ( 5.081 0.000 0.060) 5.082 5.563 ( -13.907 0.000 4.572) 14.639 5.711 ( 3.847 0.000 -4.364) 5.818 5.721 ( -4.569 0.000 4.921) 6.715 5.765 ( -3.800 0.000 0.256) 3.809 5.826 ( 3.763 0.000 0.080) 3.764 5.904 ( 14.847 0.000 -5.006) 15.668 6.392 ( -3.999 0.000 11.027) 11.729 6.405 ( -2.260 0.000 0.904) 2.434 6.444 ( -1.365 0.000 -6.375) 6.519 6.558 ( 7.795 0.000 -4.543) 9.022 6.587 ( 0.077 0.000 3.549) 3.550 6.600 ( 2.543 0.000 -4.039) 4.773 6.936 ( 1.900 0.000 1.148) 2.220 6.948 ( 2.259 0.000 -2.734) 3.547 7.635 ( -5.323 0.000 1.635) 5.568 7.688 ( 1.300 0.000 1.254) 1.806 7.922 ( -6.663 0.000 -0.516) 6.683 8.010 ( 4.679 0.000 -2.107) 5.131 8.506 ( -14.482 0.000 -1.874) 14.603 8.589 ( -6.380 0.000 1.301) 6.511 8.656 ( 6.796 0.000 1.523) 6.964 8.704 ( 8.610 0.000 0.428) 8.620 9.196 ( -2.867 0.000 3.658) 4.647 9.263 ( 5.230 0.000 -1.193) 5.365 9.378 ( -6.143 0.000 2.202) 6.526 9.528 ( 12.522 0.000 -0.114) 12.523 10.044 ( -4.751 0.000 6.812) 8.306 10.137 ( 4.385 0.000 -3.293) 5.484 10.177 ( -4.230 0.000 -5.721) 7.115 10.252 ( 6.878 0.000 -3.522) 7.727 10.733 ( -15.452 0.000 4.066) 15.978 11.005 ( 16.386 0.000 -4.607) 17.021 11.078 ( -0.584 0.000 1.097) 1.243 11.118 ( 2.678 0.000 0.023) 2.678 11.260 ( -1.584 0.000 2.888) 3.294 11.300 ( 0.656 0.000 -5.105) 5.147 12.396 ( -0.381 0.000 3.706) 3.726 12.408 ( -1.666 0.000 -3.221) 3.626 12.484 ( -6.632 0.000 -5.015) 8.315 12.541 ( 5.006 0.000 4.616) 6.809 13.494 ( -0.360 0.000 -0.409) 0.545 13.503 ( 1.233 0.000 0.608) 1.375 13.620 ( 0.034 0.000 1.394) 1.394 13.624 ( -0.253 0.000 -1.110) 1.139 14.415 ( -1.625 0.000 1.032) 1.925 14.447 ( 2.690 0.000 2.266) 3.517 14.784 ( -4.842 0.000 -2.125) 5.288 14.824 ( 2.387 0.000 1.710) 2.936 14.878 ( -1.847 0.000 -3.777) 4.205 14.901 ( 2.469 0.000 -3.006) 3.890 15.699 ( -10.937 0.000 0.443) 10.946 15.857 ( 11.249 0.000 0.736) 11.273 16.477 ( -0.534 0.000 -0.756) 0.926 16.480 ( 0.249 0.000 -0.015) 0.249 17.027 ( -0.784 0.000 0.918) 1.207 17.033 ( 0.213 0.000 1.184) 1.203 19.491 ( -4.590 0.000 -1.451) 4.814 19.555 ( 4.819 0.000 -0.003) 4.819 19.684 ( -8.139 0.000 -1.529) 8.282 19.804 ( 9.496 0.000 0.716) 9.523 20.074 ( -5.287 0.000 1.466) 5.486 20.170 ( 6.959 0.000 -1.437) 7.106 20.733 ( -3.681 0.000 2.636) 4.527 20.790 ( 3.394 0.000 0.501) 3.431 20.953 ( -4.358 0.000 0.947) 4.460 20.998 ( 2.751 0.000 8.790) 9.210 21.532 ( -15.775 0.000 -4.731) 16.469 21.773 ( 15.619 0.000 -4.013) 16.126 22.048 ( -0.656 0.000 2.442) 2.528 22.074 ( 0.803 0.000 -3.099) 3.201 22.224 ( -1.934 0.000 -3.698) 4.173 22.230 ( 0.977 0.000 1.200) 1.548 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -12.960 0.000 10.989) 16.992 0.656 ( -11.310 0.000 13.248) 17.420 0.878 ( 5.475 0.000 6.359) 8.391 1.017 ( -16.410 0.000 17.663) 24.110 1.146 ( 13.151 0.000 2.161) 13.327 1.419 ( -5.119 0.000 1.095) 5.235 1.456 ( 3.835 0.000 -13.539) 14.071 1.476 ( -8.633 0.000 2.592) 9.014 1.586 ( 7.920 0.000 0.448) 7.933 1.728 ( -9.168 0.000 9.017) 12.859 1.855 ( 3.059 0.000 -0.964) 3.207 1.876 ( -0.035 0.000 -0.679) 0.680 1.970 ( -7.494 0.000 3.692) 8.354 1.988 ( 10.904 0.000 -9.004) 14.141 2.128 ( 11.518 0.000 5.483) 12.757 2.200 ( -8.450 0.000 2.599) 8.840 2.278 ( 5.684 0.000 -1.756) 5.950 2.332 ( -7.628 0.000 2.260) 7.956 2.395 ( 0.324 0.000 -9.054) 9.059 2.603 ( 7.708 0.000 -1.671) 7.887 2.875 ( -2.661 0.000 -1.864) 3.249 2.926 ( -4.148 0.000 -0.346) 4.162 2.980 ( 0.809 0.000 -1.542) 1.741 3.130 ( -1.652 0.000 3.840) 4.180 3.206 ( -3.572 0.000 4.797) 5.980 3.338 ( 2.301 0.000 -1.065) 2.535 3.359 ( 1.171 0.000 0.002) 1.171 3.378 ( 0.691 0.000 2.868) 2.950 3.435 ( -0.620 0.000 0.805) 1.016 3.485 ( 0.495 0.000 -0.388) 0.629 3.648 ( 1.336 0.000 3.547) 3.790 3.665 ( 1.665 0.000 1.552) 2.276 3.846 ( -1.468 0.000 1.749) 2.284 3.894 ( -0.715 0.000 2.995) 3.079 4.003 ( -1.342 0.000 0.203) 1.357 4.170 ( 5.269 0.000 -8.095) 9.659 4.182 ( -0.208 0.000 -0.480) 0.523 4.279 ( 5.642 0.000 3.273) 6.523 4.499 ( -5.318 0.000 0.470) 5.339 4.520 ( -3.447 0.000 -4.771) 5.886 4.695 ( 0.186 0.000 2.398) 2.405 4.736 ( 2.581 0.000 -0.434) 2.617 4.819 ( -6.642 0.000 0.181) 6.644 5.043 ( -12.595 0.000 -0.676) 12.613 5.116 ( -6.086 0.000 1.615) 6.296 5.124 ( -0.089 0.000 4.046) 4.047 5.281 ( 1.537 0.000 -2.085) 2.591 5.334 ( -9.840 0.000 -0.765) 9.869 5.460 ( 2.679 0.000 -0.817) 2.801 5.690 ( 6.865 0.000 -7.061) 9.848 5.735 ( -0.064 0.000 2.150) 2.151 5.789 ( 0.398 0.000 9.898) 9.906 5.840 ( 2.127 0.000 -5.011) 5.443 6.032 ( 10.783 0.000 -2.360) 11.038 6.340 ( 0.630 0.000 -5.120) 5.159 6.361 ( -1.130 0.000 -0.736) 1.348 6.478 ( -3.272 0.000 6.335) 7.130 6.506 ( -2.160 0.000 -3.609) 4.206 6.616 ( -2.995 0.000 3.630) 4.706 6.734 ( 16.851 0.000 -4.548) 17.454 7.002 ( 3.119 0.000 2.617) 4.071 7.014 ( 7.038 0.000 3.450) 7.839 7.527 ( -6.246 0.000 -4.247) 7.553 7.606 ( -4.838 0.000 -7.787) 9.167 7.888 ( -6.816 0.000 7.298) 9.986 8.059 ( -0.372 0.000 1.359) 1.409 8.271 ( -13.386 0.000 -0.127) 13.387 8.499 ( -2.552 0.000 -4.242) 4.950 8.740 ( -0.075 0.000 5.343) 5.343 8.794 ( 7.086 0.000 -3.515) 7.910 9.142 ( -4.593 0.000 -7.045) 8.410 9.265 ( -6.202 0.000 -11.073) 12.692 9.299 ( 6.555 0.000 -5.790) 8.746 9.688 ( 11.476 0.000 -2.672) 11.783 9.972 ( -8.126 0.000 -1.341) 8.236 10.143 ( 5.174 0.000 -4.558) 6.895 10.274 ( 3.698 0.000 17.497) 17.884 10.372 ( 7.003 0.000 2.557) 7.455 10.589 ( -10.968 0.000 2.509) 11.252 10.942 ( -6.482 0.000 -4.392) 7.830 11.142 ( 2.963 0.000 1.102) 3.161 11.183 ( 10.256 0.000 -11.128) 15.133 11.373 ( 12.577 0.000 6.211) 14.027 11.397 ( 4.523 0.000 19.301) 19.824 12.332 ( -5.979 0.000 -0.933) 6.051 12.337 ( -3.018 0.000 -3.338) 4.500 12.425 ( -1.775 0.000 2.680) 3.215 12.641 ( 1.584 0.000 2.391) 2.868 13.486 ( 0.464 0.000 -0.767) 0.896 13.524 ( 1.544 0.000 -0.216) 1.559 13.608 ( 0.253 0.000 -0.968) 1.001 13.629 ( -0.632 0.000 0.160) 0.652 14.387 ( 0.506 0.000 -3.208) 3.247 14.394 ( -2.914 0.000 -11.679) 12.037 14.706 ( -6.530 0.000 2.062) 6.848 14.857 ( -1.430 0.000 3.294) 3.591 14.897 ( 0.120 0.000 3.612) 3.614 15.080 ( 10.414 0.000 21.987) 24.328 15.539 ( -8.834 0.000 -2.680) 9.232 16.001 ( 9.679 0.000 -1.508) 9.796 16.470 ( -0.626 0.000 0.890) 1.088 16.497 ( -0.008 0.000 2.301) 2.301 16.974 ( -2.557 0.000 -6.776) 7.242 17.018 ( -0.381 0.000 -2.951) 2.975 19.435 ( -3.646 0.000 1.784) 4.059 19.579 ( -5.618 0.000 0.505) 5.641 19.630 ( 3.398 0.000 1.331) 3.649 19.967 ( 9.230 0.000 3.155) 9.754 20.042 ( -3.128 0.000 3.365) 4.594 20.257 ( 8.193 0.000 -2.006) 8.435 20.618 ( -9.077 0.000 -20.790) 22.685 20.772 ( 1.045 0.000 -9.403) 9.461 20.799 ( -10.607 0.000 -12.715) 16.558 20.864 ( -2.277 0.000 -1.725) 2.857 21.628 ( 3.609 0.000 29.942) 30.159 21.949 ( 11.369 0.000 -1.941) 11.533 22.058 ( 1.323 0.000 -1.527) 2.020 22.073 ( -1.227 0.000 2.709) 2.974 22.198 ( -1.245 0.000 3.891) 4.085 22.304 ( 0.753 0.000 8.837) 8.869 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -5.180 0.000 16.106) 16.919 0.692 ( -9.158 0.000 15.336) 17.862 1.104 ( 5.279 0.000 13.820) 14.794 1.183 ( -1.360 0.000 13.534) 13.602 1.288 ( -7.126 0.000 11.966) 13.927 1.310 ( 4.517 0.000 -16.067) 16.690 1.408 ( 3.972 0.000 6.004) 7.199 1.469 ( -1.592 0.000 7.841) 8.001 1.687 ( 7.078 0.000 -0.683) 7.111 1.765 ( -6.834 0.000 11.070) 13.010 1.852 ( -1.633 0.000 -0.851) 1.841 1.868 ( -1.712 0.000 0.473) 1.776 1.912 ( -6.669 0.000 3.673) 7.614 1.995 ( 9.706 0.000 -12.585) 15.893 2.140 ( -4.027 0.000 1.096) 4.174 2.243 ( -4.192 0.000 -6.295) 7.563 2.262 ( -6.799 0.000 3.387) 7.596 2.271 ( 5.409 0.000 -7.969) 9.631 2.327 ( 5.691 0.000 -0.432) 5.707 2.572 ( 0.304 0.000 -11.127) 11.131 2.805 ( -1.758 0.000 -2.984) 3.464 2.870 ( 0.470 0.000 -7.284) 7.299 3.028 ( 2.753 0.000 7.493) 7.982 3.194 ( -2.789 0.000 9.857) 10.244 3.249 ( -0.110 0.000 5.606) 5.608 3.348 ( 1.986 0.000 -0.090) 1.988 3.388 ( -2.026 0.000 -0.538) 2.097 3.401 ( 1.349 0.000 1.995) 2.408 3.437 ( -0.854 0.000 0.311) 0.909 3.482 ( -0.426 0.000 -0.310) 0.527 3.705 ( 0.458 0.000 1.809) 1.866 3.712 ( -0.233 0.000 3.193) 3.202 3.883 ( -0.129 0.000 5.407) 5.409 3.916 ( -1.718 0.000 2.914) 3.383 3.990 ( -0.057 0.000 -1.827) 1.828 4.120 ( 3.914 0.000 -8.805) 9.636 4.149 ( -0.759 0.000 -2.965) 3.061 4.330 ( -3.416 0.000 -12.896) 13.341 4.337 ( 0.128 0.000 -2.431) 2.434 4.410 ( -3.969 0.000 -3.535) 5.315 4.749 ( -3.439 0.000 8.189) 8.881 4.762 ( 0.815 0.000 8.158) 8.198 4.858 ( -9.577 0.000 7.280) 12.029 4.890 ( 4.307 0.000 4.417) 6.170 5.052 ( -5.099 0.000 1.131) 5.223 5.122 ( -12.891 0.000 12.978) 18.292 5.239 ( -0.056 0.000 -4.642) 4.642 5.282 ( 4.627 0.000 -7.375) 8.706 5.422 ( 1.398 0.000 -6.175) 6.331 5.714 ( 8.312 0.000 -8.247) 11.709 5.765 ( 1.217 0.000 0.210) 1.235 5.776 ( 1.322 0.000 -6.312) 6.449 6.081 ( 10.842 0.000 11.127) 15.535 6.153 ( 3.649 0.000 4.180) 5.549 6.340 ( 2.226 0.000 0.090) 2.228 6.375 ( 5.428 0.000 -1.305) 5.583 6.438 ( 0.263 0.000 -3.715) 3.724 6.488 ( -0.647 0.000 0.145) 0.663 6.638 ( -2.635 0.000 8.320) 8.727 6.890 ( 15.234 0.000 -7.015) 16.772 7.088 ( 2.193 0.000 4.218) 4.754 7.176 ( 5.270 0.000 1.156) 5.396 7.369 ( -4.873 0.000 -6.509) 8.132 7.427 ( -0.693 0.000 -7.907) 7.938 7.825 ( -12.476 0.000 2.164) 12.662 7.915 ( -11.766 0.000 -4.122) 12.467 8.254 ( -0.252 0.000 7.029) 7.034 8.448 ( 1.046 0.000 -0.285) 1.085 8.704 ( -18.341 0.000 -9.053) 20.454 8.812 ( 4.410 0.000 -5.782) 7.272 8.832 ( -1.451 0.000 9.952) 10.057 9.243 ( -4.363 0.000 11.419) 12.225 9.282 ( 4.957 0.000 -8.967) 10.246 9.756 ( 6.812 0.000 -7.150) 9.875 9.901 ( -5.160 0.000 4.201) 6.654 10.140 ( 2.645 0.000 -5.506) 6.108 10.437 ( 2.775 0.000 -4.487) 5.276 10.444 ( -3.208 0.000 1.489) 3.537 10.524 ( -2.049 0.000 6.557) 6.870 10.811 ( -2.970 0.000 -2.499) 3.881 11.130 ( 3.530 0.000 -8.311) 9.029 11.172 ( 1.109 0.000 -2.162) 2.429 11.693 ( 17.314 0.000 6.697) 18.564 11.911 ( 22.694 0.000 10.768) 25.119 12.279 ( -4.139 0.000 3.073) 5.155 12.288 ( 0.111 0.000 0.447) 0.461 12.414 ( -3.191 0.000 0.867) 3.306 12.618 ( -5.307 0.000 -3.306) 6.252 13.492 ( 1.072 0.000 0.169) 1.085 13.556 ( 2.560 0.000 0.884) 2.708 13.604 ( -1.464 0.000 -1.342) 1.986 13.607 ( 1.005 0.000 -0.644) 1.194 14.161 ( -10.578 0.000 -2.475) 10.864 14.332 ( 1.291 0.000 -7.369) 7.481 14.688 ( -5.588 0.000 9.169) 10.737 14.898 ( 0.047 0.000 3.685) 3.685 14.935 ( -1.325 0.000 3.321) 3.576 15.274 ( -4.166 0.000 -10.555) 11.348 15.744 ( 21.699 0.000 17.370) 27.795 16.091 ( 6.625 0.000 -2.361) 7.034 16.480 ( -0.673 0.000 1.731) 1.857 16.537 ( -0.715 0.000 3.522) 3.594 16.768 ( -9.241 0.000 -6.618) 11.367 16.949 ( -0.696 0.000 -5.844) 5.885 19.432 ( -2.227 0.000 3.861) 4.457 19.541 ( -2.488 0.000 2.294) 3.384 19.652 ( 0.633 0.000 -2.602) 2.678 19.891 ( -14.778 0.000 -13.652) 20.119 20.161 ( 2.480 0.000 8.997) 9.333 20.186 ( -2.836 0.000 3.116) 4.214 20.336 ( 7.251 0.000 -3.024) 7.856 20.630 ( 0.277 0.000 -10.781) 10.785 20.702 ( -3.890 0.000 2.263) 4.501 20.822 ( -0.276 0.000 -3.155) 3.167 22.010 ( 8.297 0.000 5.317) 9.855 22.034 ( 4.912 0.000 -2.004) 5.305 22.070 ( 3.848 0.000 -0.925) 3.958 22.081 ( -1.567 0.000 1.903) 2.465 22.274 ( 0.030 0.000 6.818) 6.818 22.486 ( 4.872 0.000 5.465) 7.322 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.421 9.190 16.566) 20.003 0.953 ( -3.407 12.658 13.868) 19.082 1.167 ( 0.326 8.004 -9.590) 12.495 1.218 ( 3.713 6.463 -12.433) 14.496 1.417 ( 0.204 3.551 10.022) 10.634 1.522 ( -2.143 0.301 8.254) 8.533 1.529 ( -4.660 4.290 0.563) 6.360 1.665 ( -0.190 1.830 10.929) 11.083 1.696 ( -4.008 -5.309 -0.394) 6.664 1.805 ( 1.532 2.651 -1.197) 3.288 1.825 ( 1.809 0.774 4.759) 5.150 1.860 ( 1.503 2.796 1.214) 3.399 1.969 ( -1.138 6.764 9.436) 11.666 2.052 ( 1.263 1.842 4.290) 4.836 2.135 ( -1.688 2.282 -5.216) 5.938 2.158 ( -2.174 2.369 1.590) 3.587 2.239 ( 2.050 4.528 -6.826) 8.444 2.308 ( 1.093 2.882 -0.317) 3.099 2.368 ( 0.061 5.242 -5.232) 7.407 2.369 ( 1.916 2.652 -20.650) 20.907 2.720 ( -0.266 -3.115 0.182) 3.132 2.773 ( 0.699 -1.595 -5.660) 5.922 3.179 ( 0.569 -1.216 7.734) 7.850 3.247 ( -1.530 -2.914 6.758) 7.517 3.278 ( -1.544 -4.185 -2.103) 4.932 3.318 ( -0.617 -2.074 3.123) 3.799 3.370 ( 2.147 -1.964 0.041) 2.909 3.394 ( -0.515 -5.205 1.935) 5.577 3.406 ( 0.522 -1.238 -1.787) 2.236 3.437 ( 0.118 -3.209 -2.573) 4.115 3.642 ( 0.027 -3.416 2.550) 4.263 3.716 ( 0.171 -2.675 -4.500) 5.238 3.960 ( -0.401 2.527 1.465) 2.949 3.981 ( -1.437 3.876 2.260) 4.711 4.039 ( 0.234 3.978 6.421) 7.557 4.108 ( 0.849 5.477 -4.809) 7.338 4.137 ( -1.118 3.745 -3.085) 4.980 4.189 ( 1.306 6.671 -10.614) 12.604 4.381 ( -0.605 6.667 2.740) 7.234 4.442 ( 0.185 7.886 -3.736) 8.728 4.738 ( -3.159 -4.346 12.699) 13.789 4.936 ( -1.140 2.068 6.540) 6.953 4.982 ( 2.495 3.282 1.393) 4.351 4.996 ( -2.669 1.385 -2.211) 3.732 5.043 ( 2.302 3.085 2.039) 4.356 5.167 ( -6.214 3.899 6.082) 9.529 5.222 ( 0.962 3.138 -1.394) 3.566 5.263 ( 0.183 2.097 0.613) 2.192 5.416 ( 1.365 1.064 0.813) 1.912 5.570 ( 1.299 -3.955 -10.531) 11.324 5.776 ( -0.034 1.228 1.044) 1.613 5.821 ( 0.757 4.838 -3.716) 6.147 6.249 ( -7.408 -1.356 4.972) 9.024 6.259 ( 4.770 -1.662 5.200) 7.250 6.310 ( 0.908 -2.211 -0.330) 2.413 6.368 ( -0.808 -0.526 -5.933) 6.010 6.416 ( 0.419 -0.175 4.962) 4.982 6.484 ( 3.436 0.516 -0.754) 3.556 6.723 ( -3.400 -0.352 8.657) 9.307 6.919 ( 3.359 -0.658 -10.569) 11.110 7.184 ( 0.794 0.855 4.784) 4.924 7.212 ( 0.235 3.603 1.754) 4.015 7.284 ( -5.009 -1.385 -4.892) 7.137 7.292 ( 3.939 2.991 -5.750) 7.585 7.678 ( 0.282 -4.742 3.088) 5.666 7.754 ( 0.432 -1.643 -5.163) 5.435 8.321 ( 0.520 -3.293 6.154) 6.999 8.407 ( -0.332 -3.762 -2.776) 4.688 8.591 ( -1.392 -0.585 8.140) 8.278 8.742 ( 1.018 -1.375 -6.802) 7.014 8.881 ( -2.127 -6.416 7.384) 10.011 9.015 ( 1.857 -14.078 -6.248) 15.514 9.361 ( -0.885 -2.999 13.268) 13.631 9.609 ( 0.411 -5.733 -11.286) 12.665 9.797 ( -1.038 -9.263 4.952) 10.555 9.923 ( 1.863 -10.625 -7.440) 13.104 10.399 ( -3.187 1.619 -1.149) 3.755 10.420 ( 4.254 0.835 -3.693) 5.695 10.651 ( -0.927 -0.086 11.827) 11.863 10.864 ( 0.864 -3.688 -10.193) 10.874 11.230 ( 0.507 18.295 1.820) 18.393 11.304 ( -0.585 23.566 -6.244) 24.386 12.164 ( 2.195 16.700 9.578) 19.376 12.283 ( 2.109 -3.000 1.935) 4.146 12.299 ( -0.397 -4.045 1.067) 4.202 12.358 ( -4.019 7.350 -3.095) 8.930 12.374 ( 2.715 12.327 -5.869) 13.920 12.464 ( -2.270 1.254 -5.808) 6.361 13.560 ( -0.929 1.333 1.435) 2.168 13.585 ( 1.151 2.403 -1.083) 2.876 13.704 ( -1.733 12.069 3.447) 12.671 13.796 ( 1.616 16.435 -6.303) 17.676 14.102 ( -1.283 -0.385 5.236) 5.404 14.230 ( 1.075 -0.667 -8.001) 8.101 14.804 ( -0.067 0.434 13.189) 13.196 14.902 ( 0.569 -4.083 3.115) 5.167 14.926 ( -0.577 -2.667 0.577) 2.790 15.072 ( 0.014 1.271 -14.402) 14.458 15.982 ( 0.451 -4.808 2.679) 5.523 16.033 ( -0.387 -7.022 -2.286) 7.395 16.445 ( 0.039 -5.469 3.215) 6.344 16.493 ( -0.557 -3.949 -0.615) 4.035 16.649 ( 0.967 -6.218 3.767) 7.334 16.764 ( -0.515 -7.877 -6.975) 10.534 19.532 ( 0.807 4.963 5.030) 7.112 19.640 ( -1.514 5.119 -6.048) 8.067 19.680 ( 0.469 8.932 2.572) 9.306 19.772 ( 0.370 10.606 -7.055) 12.743 20.285 ( -1.317 -0.062 10.551) 10.633 20.307 ( -1.077 3.780 5.304) 6.602 20.393 ( 0.567 3.196 -3.228) 4.578 20.494 ( 1.527 -0.497 -10.451) 10.574 20.721 ( -0.825 1.780 2.408) 3.106 20.783 ( 0.934 0.764 -3.681) 3.874 22.017 ( -1.335 -3.843 1.362) 4.290 22.041 ( 1.865 -3.116 -1.073) 3.786 22.097 ( -2.773 -0.274 1.388) 3.113 22.118 ( 2.766 -0.254 -0.737) 2.874 22.250 ( -1.043 -12.938 4.823) 13.847 22.278 ( 0.727 -13.678 2.103) 13.858 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -5.168 7.173 -3.146) 9.384 1.020 ( -6.139 8.871 11.940) 16.092 1.079 ( 2.312 11.289 -7.923) 13.985 1.165 ( 2.262 8.611 3.964) 9.746 1.376 ( -10.198 4.918 0.446) 11.331 1.498 ( -7.466 1.251 -2.490) 7.969 1.551 ( -0.847 0.619 3.292) 3.455 1.586 ( -5.938 -1.905 -0.330) 6.245 1.739 ( -2.557 1.799 5.671) 6.476 1.790 ( -5.702 0.533 -6.020) 8.308 1.848 ( 4.706 3.358 -1.365) 5.940 1.898 ( 4.510 2.044 -1.380) 5.140 2.048 ( 0.444 -0.626 -4.755) 4.816 2.078 ( 1.279 3.541 -4.276) 5.697 2.173 ( 5.024 2.753 -8.221) 10.020 2.196 ( 1.975 1.824 3.544) 4.448 2.230 ( 4.280 3.590 -0.394) 5.600 2.255 ( 2.501 4.119 16.717) 17.398 2.312 ( 0.821 3.871 -2.458) 4.658 2.370 ( 3.274 5.457 3.777) 7.400 2.730 ( 0.455 -2.379 0.451) 2.463 2.763 ( 2.584 -2.033 1.178) 3.492 3.164 ( -6.271 -0.460 -4.824) 7.925 3.228 ( -5.142 -2.499 2.570) 6.269 3.281 ( -1.546 -4.765 0.483) 5.033 3.303 ( -0.776 -3.936 -0.514) 4.044 3.383 ( 1.339 -3.328 -1.574) 3.917 3.392 ( 1.464 -3.370 -0.416) 3.698 3.438 ( 2.483 -2.351 -1.246) 3.639 3.454 ( 2.931 -2.046 1.044) 3.724 3.659 ( -0.034 -3.679 -3.958) 5.404 3.692 ( 0.144 -3.796 4.479) 5.873 3.975 ( 0.236 2.550 -1.921) 3.201 3.996 ( -0.625 3.335 3.869) 5.147 4.056 ( 0.367 2.038 -6.061) 6.405 4.107 ( 0.651 5.395 1.965) 5.778 4.133 ( 1.468 6.983 4.074) 8.217 4.153 ( 3.283 6.041 1.730) 7.090 4.414 ( 1.046 8.068 -0.299) 8.141 4.427 ( 2.014 6.482 1.911) 7.052 4.839 ( -0.111 -5.451 -9.600) 11.040 4.889 ( -2.122 -2.112 9.580) 10.037 4.982 ( -1.607 2.830 1.397) 3.542 5.004 ( 0.273 4.678 -2.465) 5.294 5.049 ( -1.670 5.096 -5.955) 8.014 5.161 ( -0.150 4.301 8.673) 9.682 5.251 ( 1.005 3.871 -1.154) 4.163 5.301 ( 2.496 2.545 2.028) 4.101 5.426 ( 0.215 -1.866 -6.656) 6.916 5.486 ( -1.906 -0.654 5.030) 5.418 5.773 ( -1.864 2.914 -1.134) 3.640 5.797 ( -0.370 3.036 1.374) 3.353 6.170 ( -11.572 -0.377 2.625) 11.872 6.231 ( -5.594 0.090 -4.268) 7.036 6.317 ( -3.094 -3.626 1.043) 4.880 6.370 ( 2.293 -0.537 0.019) 2.355 6.436 ( 2.966 4.247 -2.143) 5.606 6.498 ( 4.138 1.228 -2.392) 4.934 6.741 ( -10.276 -0.702 6.133) 11.988 6.778 ( -3.550 -1.113 -5.400) 6.557 7.164 ( -4.063 -0.859 -2.604) 4.902 7.183 ( -5.624 0.322 0.822) 5.693 7.292 ( 5.563 3.809 -3.187) 7.457 7.337 ( 6.230 4.336 6.845) 10.222 7.787 ( 11.542 -5.574 -3.366) 13.252 7.823 ( 12.253 -3.946 3.305) 13.290 8.351 ( 0.316 -3.585 -5.718) 6.757 8.400 ( 0.583 -3.980 3.295) 5.200 8.635 ( -2.136 -2.984 -2.999) 4.740 8.672 ( -2.097 -0.894 4.377) 4.935 8.934 ( -2.160 -10.300 0.212) 10.526 8.945 ( -1.310 -9.203 -0.214) 9.298 9.434 ( -0.679 -4.410 -11.150) 12.009 9.508 ( -3.792 -5.172 10.885) 12.634 9.879 ( 5.283 -10.063 -6.639) 13.163 9.893 ( 2.744 -10.480 5.726) 12.254 10.369 ( -0.783 0.974 0.590) 1.382 10.471 ( 6.443 0.640 -0.212) 6.479 10.726 ( 0.388 -0.576 -9.347) 9.373 10.791 ( -0.809 -3.435 8.826) 9.505 11.235 ( -0.520 21.107 -2.435) 21.254 11.279 ( 0.050 22.209 4.380) 22.637 12.068 ( -13.794 18.691 -7.953) 24.553 12.187 ( -10.882 13.399 6.870) 18.578 12.276 ( -2.650 0.507 -0.533) 2.750 12.358 ( 3.391 0.383 -0.672) 3.478 12.413 ( 2.999 0.635 -2.778) 4.137 12.524 ( 7.050 0.286 5.119) 8.717 13.560 ( -1.197 1.964 0.696) 2.403 13.583 ( 0.820 2.265 -1.318) 2.746 13.706 ( -5.166 13.390 2.400) 14.551 13.724 ( -1.705 12.246 -1.460) 12.451 14.179 ( 4.052 -0.884 -2.927) 5.076 14.193 ( 1.799 -0.384 4.943) 5.274 14.878 ( -1.279 -1.271 -5.471) 5.761 14.908 ( 1.870 -3.779 -4.867) 6.439 14.967 ( 4.445 -1.080 -3.902) 6.012 15.037 ( 5.255 -0.821 12.942) 13.992 15.905 ( -10.981 -4.973 -5.758) 13.359 15.958 ( -8.265 -5.526 4.387) 10.867 16.476 ( 1.401 -4.558 -2.621) 5.441 16.509 ( 2.314 -4.929 2.295) 5.909 16.679 ( 1.276 -7.356 -4.478) 8.706 16.748 ( 2.175 -7.241 5.763) 9.507 19.571 ( 2.231 4.561 -4.887) 7.047 19.634 ( 2.127 5.141 4.223) 6.984 19.725 ( 3.950 9.605 -4.182) 11.196 19.782 ( 6.226 7.985 7.086) 12.358 20.289 ( -6.726 1.786 0.824) 7.008 20.306 ( -3.751 2.912 -4.200) 6.339 20.372 ( -1.193 0.830 -5.658) 5.842 20.421 ( -1.671 1.679 8.895) 9.205 20.759 ( 1.449 0.685 0.983) 1.880 20.765 ( 2.000 1.005 -0.567) 2.309 21.980 ( -6.480 -3.623 0.584) 7.447 22.010 ( -4.601 -5.277 -0.876) 7.056 22.059 ( -3.051 -0.397 -0.041) 3.077 22.094 ( -0.408 -1.986 -1.100) 2.307 22.293 ( 2.548 -8.323 -2.018) 8.935 22.352 ( 6.540 -10.886 -0.618) 12.715 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.418 8.257 -8.252) 11.681 0.980 ( -3.060 6.555 -5.197) 8.907 1.088 ( -2.810 6.708 0.556) 7.294 1.175 ( -5.978 6.173 3.811) 9.400 1.294 ( -8.119 8.329 -0.020) 11.632 1.375 ( -3.074 4.575 1.061) 5.613 1.511 ( 0.634 6.064 -3.165) 6.869 1.543 ( -1.378 1.832 1.815) 2.924 1.611 ( -4.793 4.160 -2.432) 6.796 1.808 ( 0.058 -2.050 4.492) 4.938 1.878 ( 2.159 0.684 -0.501) 2.319 1.929 ( -2.057 9.319 0.398) 9.551 1.995 ( 5.623 1.663 -9.774) 11.398 2.066 ( 7.172 1.020 -4.128) 8.338 2.151 ( -2.776 -0.251 -0.095) 2.789 2.245 ( -1.743 0.989 2.576) 3.264 2.260 ( 0.759 3.360 -0.807) 3.538 2.344 ( 6.162 2.800 -0.471) 6.785 2.398 ( 0.762 3.447 2.532) 4.344 2.519 ( -1.411 3.398 9.392) 10.087 2.773 ( 2.617 -4.469 2.269) 5.654 2.850 ( 2.521 -0.391 5.781) 6.319 3.008 ( -5.017 0.675 -4.242) 6.604 3.148 ( -4.341 -3.219 -1.297) 5.557 3.264 ( -0.799 -4.543 -0.736) 4.671 3.277 ( -1.554 -5.034 -0.789) 5.327 3.371 ( 2.054 -1.721 -3.746) 4.606 3.396 ( 1.273 -2.724 -2.762) 4.083 3.446 ( 0.728 -2.783 -1.098) 3.079 3.491 ( 1.411 -0.943 -0.443) 1.754 3.614 ( -0.987 -1.879 -1.159) 2.419 3.754 ( -0.040 -3.118 3.975) 5.052 3.964 ( 0.949 4.553 -0.375) 4.666 3.975 ( -1.061 2.769 -3.702) 4.742 4.045 ( 1.654 3.059 -1.313) 3.717 4.098 ( -1.010 7.994 -0.671) 8.085 4.209 ( 2.938 3.829 -0.086) 4.827 4.291 ( 3.614 -1.356 10.144) 10.854 4.412 ( -1.823 7.717 -1.685) 8.106 4.542 ( 5.359 5.518 6.139) 9.842 4.698 ( -3.009 -3.364 -6.016) 7.521 4.822 ( -4.444 -1.539 -3.895) 6.106 4.895 ( -0.590 5.662 -6.768) 8.844 5.016 ( 2.595 2.257 -0.363) 3.458 5.148 ( 1.739 -1.229 10.073) 10.296 5.234 ( -3.675 6.371 5.375) 9.109 5.254 ( 5.772 4.601 -2.068) 7.665 5.361 ( 5.401 0.945 -2.201) 5.908 5.418 ( 6.490 0.661 -0.591) 6.550 5.515 ( -6.383 -1.917 7.674) 10.164 5.718 ( -4.357 1.842 0.011) 4.730 5.831 ( -1.870 4.757 5.242) 7.322 5.984 ( -6.626 2.301 -7.042) 9.939 6.108 ( -7.765 4.340 0.035) 8.896 6.257 ( -4.021 -3.242 -0.513) 5.190 6.344 ( -0.973 -0.901 0.288) 1.357 6.499 ( 6.770 4.616 -3.174) 8.787 6.542 ( 1.812 0.559 -1.156) 2.221 6.661 ( -5.266 -0.512 3.107) 6.135 6.696 ( -2.756 1.849 -0.857) 3.427 7.053 ( -6.338 -2.134 -4.131) 7.861 7.080 ( -5.029 1.586 -2.611) 5.885 7.379 ( 5.963 0.424 3.189) 6.775 7.541 ( 5.933 5.927 9.264) 12.496 7.890 ( 10.192 -9.344 -6.934) 15.468 8.085 ( 13.679 -2.059 3.133) 14.184 8.274 ( 2.130 -3.998 -4.890) 6.666 8.405 ( 0.415 -3.138 -0.070) 3.166 8.611 ( -3.806 -8.774 2.975) 10.016 8.722 ( 0.384 -5.354 5.733) 7.853 8.858 ( -0.491 -3.214 -4.220) 5.328 8.951 ( -6.026 -14.258 5.291) 16.359 9.324 ( 3.376 -4.053 -7.572) 9.228 9.536 ( -7.129 -6.380 5.240) 10.908 9.865 ( 5.303 -9.398 -6.986) 12.855 9.962 ( -0.814 -10.074 0.351) 10.113 10.353 ( -2.036 1.970 -1.521) 3.216 10.577 ( 7.327 -0.347 -0.081) 7.336 10.653 ( 4.574 -0.801 -4.848) 6.713 10.858 ( -4.967 -8.390 5.654) 11.271 11.231 ( 1.086 20.021 1.332) 20.094 11.341 ( -2.155 27.312 6.551) 28.169 11.803 ( -9.442 25.544 -4.990) 27.686 12.085 ( -12.654 23.854 3.128) 27.183 12.255 ( 0.102 -2.175 1.476) 2.631 12.370 ( 1.027 4.566 -0.709) 4.733 12.441 ( 3.044 -1.537 -1.120) 3.590 12.633 ( 1.153 -1.558 1.598) 2.512 13.536 ( -1.169 1.656 -2.076) 2.902 13.567 ( -1.331 5.648 -0.088) 5.803 13.651 ( -2.057 7.072 0.218) 7.368 13.717 ( -1.715 10.806 1.713) 11.075 14.246 ( 4.498 -1.045 2.870) 5.437 14.289 ( 0.396 0.051 6.878) 6.889 14.789 ( 3.418 -1.872 -8.489) 9.341 14.868 ( 2.147 -7.197 -6.488) 9.925 14.962 ( 1.451 -1.094 -3.585) 4.020 15.272 ( 2.095 -1.071 8.220) 8.550 15.604 ( -9.404 0.046 -10.210) 13.881 15.888 ( -9.612 -5.004 3.985) 11.546 16.457 ( 0.787 -4.831 -2.348) 5.429 16.516 ( 0.470 -4.755 -3.507) 5.927 16.733 ( 3.828 -8.218 5.597) 10.655 16.849 ( 0.933 -7.437 5.411) 9.244 19.555 ( 3.867 4.938 -4.233) 7.567 19.683 ( 2.812 6.298 -0.088) 6.897 19.733 ( 1.466 8.094 -2.208) 8.517 20.034 ( 2.446 6.861 7.892) 10.739 20.142 ( -4.856 -0.192 -6.271) 7.933 20.267 ( 5.268 1.574 5.454) 7.745 20.271 ( -4.924 2.968 -0.459) 5.768 20.540 ( -3.713 1.020 13.371) 13.915 20.784 ( 3.988 0.660 -1.373) 4.269 20.818 ( 0.783 0.393 3.267) 3.383 21.858 ( -6.404 -6.560 -5.755) 10.824 21.890 ( -6.539 -5.230 -3.284) 8.994 22.026 ( -1.754 -0.550 0.987) 2.086 22.099 ( 1.568 -1.802 -0.917) 2.559 22.272 ( 1.566 -3.593 -5.050) 6.393 22.378 ( 3.732 -8.404 -6.889) 11.489 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 3.048 6.588 -2.157) 7.572 0.847 ( -10.592 4.371 1.279) 11.529 0.971 ( -0.996 8.118 -11.102) 13.789 1.047 ( -0.248 2.832 -10.267) 10.653 1.315 ( 3.387 8.233 0.088) 8.903 1.380 ( -3.934 8.959 14.991) 17.902 1.460 ( -10.023 4.747 1.773) 11.231 1.589 ( 3.291 6.279 1.849) 7.326 1.644 ( 3.465 4.624 3.391) 6.700 1.847 ( 0.468 0.126 -0.540) 0.726 1.857 ( -3.273 9.528 -2.006) 10.272 1.899 ( 1.615 -0.174 -0.859) 1.837 1.973 ( 4.591 4.208 -4.203) 7.514 2.054 ( -6.129 3.691 -1.474) 7.305 2.133 ( 7.123 2.144 -3.599) 8.263 2.206 ( -6.304 2.286 0.390) 6.717 2.280 ( 0.057 -0.768 3.244) 3.335 2.413 ( 2.752 6.347 0.546) 6.940 2.429 ( 3.283 -1.934 -2.564) 4.592 2.509 ( -4.785 1.788 -0.112) 5.110 2.838 ( 1.901 -4.942 1.840) 5.606 2.923 ( -1.663 -1.841 -2.638) 3.621 2.975 ( 3.200 -0.679 6.064) 6.890 3.104 ( -3.542 -1.707 1.884) 4.360 3.246 ( -0.146 -5.181 -0.732) 5.235 3.258 ( -0.247 -6.331 0.200) 6.339 3.339 ( 0.357 -0.625 -3.543) 3.615 3.351 ( 0.587 -0.492 -4.731) 4.793 3.443 ( 1.506 -2.187 -0.557) 2.713 3.484 ( -0.688 -0.901 -0.985) 1.502 3.611 ( -0.805 2.054 2.929) 3.667 3.786 ( 0.004 1.808 -0.400) 1.852 3.903 ( -0.265 4.787 -5.014) 6.938 3.942 ( -0.079 2.252 -4.517) 5.048 4.051 ( 2.393 2.933 1.423) 4.044 4.096 ( -4.358 4.517 5.137) 8.110 4.221 ( 1.350 0.416 -3.735) 3.993 4.299 ( -2.293 7.431 -6.402) 10.073 4.461 ( 2.662 -2.887 7.385) 8.364 4.628 ( -1.458 0.423 -0.244) 1.537 4.661 ( 0.459 3.367 1.315) 3.643 4.745 ( -1.794 -0.709 -1.117) 2.229 4.859 ( 1.628 2.647 2.388) 3.919 5.030 ( 0.223 -1.129 -2.524) 2.774 5.231 ( -3.251 3.129 3.692) 5.830 5.251 ( 0.312 5.782 1.875) 6.086 5.345 ( 4.201 4.791 0.789) 6.420 5.388 ( -0.866 1.234 1.638) 2.226 5.533 ( 6.903 -1.795 2.827) 7.672 5.568 ( -1.628 0.343 7.723) 7.900 5.662 ( -3.957 -0.800 1.075) 4.177 5.777 ( -0.664 0.717 -6.616) 6.688 5.965 ( 0.646 10.399 5.615) 11.836 6.030 ( -1.448 8.139 -0.168) 8.268 6.264 ( 1.404 -4.209 2.837) 5.267 6.338 ( -4.104 -3.848 4.868) 7.439 6.493 ( 2.073 1.144 -7.009) 7.398 6.521 ( -1.068 -0.713 1.189) 1.750 6.658 ( -0.793 2.803 -1.780) 3.414 6.682 ( 2.419 6.264 -1.378) 6.855 6.918 ( -3.143 -2.157 -2.801) 4.730 6.985 ( -2.266 -0.157 -3.669) 4.315 7.520 ( 3.169 -2.164 6.858) 7.859 7.710 ( 2.315 6.457 3.853) 7.868 7.882 ( 2.316 -9.478 -3.590) 10.397 8.087 ( -0.341 0.147 -8.234) 8.242 8.439 ( 11.054 -5.619 4.968) 13.358 8.490 ( 7.875 -4.434 3.136) 9.566 8.573 ( -5.832 -7.439 2.741) 9.842 8.713 ( -8.544 -1.513 -0.030) 8.677 8.892 ( 6.166 -14.417 1.633) 15.765 8.925 ( -6.428 -17.474 4.651) 19.191 9.327 ( 7.495 -4.486 -3.295) 9.336 9.455 ( -9.512 -4.610 0.382) 10.577 9.841 ( 3.676 -9.883 -5.283) 11.794 9.894 ( -3.228 -9.234 -3.837) 10.508 10.313 ( -1.112 5.155 1.464) 5.473 10.586 ( 2.057 -0.241 -8.324) 8.577 10.732 ( 9.763 -3.990 -1.416) 10.641 10.797 ( -9.766 -7.675 2.339) 12.639 11.294 ( 3.277 18.593 2.908) 19.102 11.372 ( -5.022 22.271 4.551) 23.280 11.709 ( -0.744 37.188 2.378) 37.272 11.943 ( -6.297 35.628 -2.983) 36.303 12.319 ( 0.868 -2.073 5.340) 5.794 12.383 ( 1.571 0.421 -0.025) 1.626 12.463 ( 2.866 0.307 -1.019) 3.057 12.604 ( -3.330 -1.134 -2.937) 4.583 13.504 ( -0.252 2.298 -0.029) 2.312 13.549 ( -1.123 4.623 -0.206) 4.762 13.648 ( -0.222 4.677 1.155) 4.822 13.707 ( -0.338 7.975 -1.130) 8.061 14.338 ( 1.166 -1.801 4.557) 5.036 14.402 ( 0.030 2.295 7.722) 8.056 14.737 ( 3.712 -8.283 -8.152) 12.200 14.784 ( -0.977 -5.335 -4.661) 7.151 14.928 ( 0.488 0.601 -2.406) 2.528 15.136 ( -5.955 5.150 -11.528) 13.960 15.628 ( 9.241 -3.428 3.685) 10.523 15.792 ( -9.746 -4.014 2.178) 10.763 16.439 ( 0.123 -4.727 -1.085) 4.852 16.472 ( 0.208 -4.040 -3.064) 5.075 16.861 ( 1.604 -9.561 5.951) 11.375 16.915 ( -0.270 -8.037 3.344) 8.709 19.565 ( 4.094 5.441 -2.396) 7.218 19.668 ( -3.384 7.128 -4.482) 9.075 19.743 ( 4.719 5.673 0.909) 7.435 19.921 ( -6.911 6.493 -4.658) 10.565 20.117 ( 2.086 1.184 0.001) 2.398 20.185 ( -4.331 3.362 -0.772) 5.537 20.619 ( 6.918 -2.073 18.338) 19.709 20.674 ( -3.346 0.470 12.841) 13.278 20.816 ( 0.797 -1.095 0.591) 1.478 20.897 ( 2.503 0.170 5.528) 6.070 21.679 ( 2.787 -7.039 -13.301) 15.305 21.740 ( -7.113 -5.424 -6.052) 10.800 22.025 ( -0.927 -0.580 1.785) 2.093 22.104 ( 0.924 -0.285 -1.230) 1.565 22.215 ( 0.725 -2.205 -4.630) 5.180 22.298 ( 0.702 -3.449 -7.891) 8.640 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -13.959 4.929 5.631) 15.839 0.802 ( -8.920 10.781 7.546) 15.898 0.920 ( 9.291 5.861 -6.687) 12.860 0.961 ( 9.523 5.713 -5.863) 12.558 1.308 ( -13.414 10.195 2.203) 16.991 1.438 ( 5.183 2.306 4.840) 7.457 1.515 ( -1.108 6.649 7.725) 10.253 1.606 ( 3.712 5.586 -7.317) 9.926 1.666 ( -9.410 7.735 3.714) 12.735 1.781 ( 1.113 3.034 -1.786) 3.692 1.874 ( -0.614 2.454 1.492) 2.937 1.890 ( -0.720 -0.394 -1.500) 1.710 1.985 ( 2.407 8.821 0.209) 9.146 2.039 ( 7.598 6.248 -1.745) 9.991 2.091 ( -7.880 3.326 -0.200) 8.556 2.205 ( 6.485 2.006 -0.435) 6.802 2.309 ( -6.593 1.042 3.704) 7.634 2.373 ( -1.620 -2.263 -0.387) 2.810 2.450 ( 0.705 0.140 -0.066) 0.722 2.518 ( 9.030 2.543 -4.220) 10.287 2.854 ( -2.844 -3.762 0.363) 4.729 2.895 ( 2.539 -3.442 -0.664) 4.328 3.040 ( -5.201 -0.300 1.042) 5.312 3.108 ( 4.194 -0.500 1.288) 4.416 3.248 ( -0.872 -7.285 0.918) 7.394 3.250 ( -0.810 -7.138 0.429) 7.197 3.293 ( -0.892 1.922 -1.112) 2.393 3.323 ( 1.566 -1.086 -1.665) 2.531 3.444 ( -2.843 -1.827 -0.897) 3.497 3.474 ( 1.682 -1.510 0.345) 2.286 3.678 ( 0.382 7.467 6.463) 9.883 3.724 ( 1.381 8.365 -6.950) 10.963 3.881 ( -0.093 0.784 1.242) 1.471 3.885 ( -0.755 0.595 -1.891) 2.121 4.081 ( -3.810 2.961 1.281) 4.992 4.137 ( 2.846 -0.677 1.741) 3.404 4.189 ( 1.232 4.243 3.167) 5.436 4.240 ( 4.233 4.928 -6.947) 9.511 4.528 ( -5.474 -2.021 2.002) 6.169 4.610 ( 4.209 -1.738 0.283) 4.563 4.683 ( -2.236 5.874 0.869) 6.345 4.716 ( 1.876 3.037 -0.831) 3.665 4.914 ( -5.520 -1.327 2.897) 6.374 4.979 ( 1.185 -3.596 -1.596) 4.109 5.191 ( -9.047 5.787 4.479) 11.636 5.280 ( 1.570 3.956 -0.745) 4.321 5.358 ( -3.570 4.552 1.196) 5.907 5.401 ( 0.859 2.473 0.361) 2.643 5.543 ( -10.231 0.538 1.982) 10.434 5.636 ( -1.980 -2.763 6.126) 7.006 5.693 ( 4.562 -1.310 -1.503) 4.978 5.705 ( 2.435 -0.571 -5.331) 5.889 6.021 ( 1.033 11.840 1.374) 11.965 6.061 ( 6.547 9.505 -2.731) 11.860 6.300 ( -4.175 -6.214 4.996) 9.000 6.389 ( 2.772 -4.374 -1.079) 5.290 6.421 ( -5.188 -1.467 -0.600) 5.425 6.538 ( 9.252 -3.488 -3.056) 10.349 6.640 ( -1.556 6.644 1.710) 7.034 6.659 ( 0.409 7.748 -2.748) 8.231 6.922 ( 1.964 -2.119 -1.467) 3.240 6.933 ( 3.744 -0.639 -0.163) 3.801 7.614 ( -4.988 -2.297 4.549) 7.130 7.678 ( 0.362 -1.592 -4.157) 4.466 7.902 ( -6.528 -0.772 3.414) 7.407 7.998 ( 4.197 -0.806 -3.734) 5.676 8.490 ( -9.134 -5.416 0.241) 10.622 8.535 ( -11.050 -2.367 -0.573) 11.315 8.594 ( 6.382 -9.655 0.460) 11.582 8.688 ( 8.797 -0.527 1.456) 8.933 8.889 ( -5.884 -19.415 2.763) 20.475 8.988 ( 6.121 -20.033 -1.430) 20.996 9.284 ( -11.104 -2.994 0.521) 11.513 9.465 ( 12.760 -4.935 -0.873) 13.709 9.800 ( -3.237 -7.865 -0.382) 8.514 9.866 ( 5.404 -9.470 -1.978) 11.082 10.366 ( -3.214 5.052 6.936) 9.162 10.472 ( 4.694 3.657 -9.911) 11.560 10.681 ( -10.672 -3.820 3.452) 11.849 10.859 ( 10.943 -8.624 -2.722) 14.196 11.327 ( -4.176 15.604 0.115) 16.154 11.400 ( 6.801 18.500 1.245) 19.750 11.766 ( -4.266 38.619 3.240) 38.989 11.889 ( 10.944 43.676 -3.367) 45.152 12.370 ( -1.629 -1.550 2.337) 3.243 12.392 ( 0.052 0.244 -0.728) 0.770 12.477 ( -5.938 -0.343 -3.334) 6.819 12.542 ( 5.149 0.641 2.229) 5.647 13.519 ( -0.540 2.542 0.865) 2.740 13.533 ( 1.032 3.034 -0.358) 3.224 13.666 ( -0.393 5.273 1.289) 5.442 13.686 ( 1.416 6.543 -1.713) 6.910 14.398 ( -2.451 -1.753 2.335) 3.812 14.449 ( 3.044 -0.177 -0.913) 3.183 14.692 ( -4.140 -5.679 2.509) 7.463 14.749 ( 1.615 -5.226 -3.106) 6.290 14.916 ( -3.018 2.418 0.690) 3.928 14.995 ( 7.041 7.041 -4.517) 10.934 15.665 ( -9.701 -3.120 0.268) 10.194 15.805 ( 9.967 -4.939 0.808) 11.153 16.435 ( -0.333 -4.544 0.637) 4.601 16.443 ( 0.038 -3.923 -1.366) 4.154 16.921 ( -1.376 -9.471 1.251) 9.652 16.934 ( 0.377 -9.130 0.575) 9.156 19.553 ( -4.761 5.757 -1.171) 7.562 19.622 ( 5.144 6.341 -0.376) 8.174 19.765 ( -6.255 7.395 -0.010) 9.686 19.869 ( 8.124 6.077 -0.445) 10.156 20.096 ( -5.768 1.770 1.524) 6.223 20.198 ( 7.098 2.236 -1.457) 7.583 20.747 ( -2.925 1.559 2.733) 4.296 20.792 ( 2.343 0.329 0.261) 2.381 20.902 ( -2.516 -4.760 7.585) 9.302 20.953 ( 0.759 -4.050 0.041) 4.121 21.481 ( -14.529 -4.939 -3.593) 15.761 21.699 ( 13.858 -6.879 -4.076) 15.999 22.052 ( -0.333 0.232 3.260) 3.285 22.080 ( 0.748 0.450 -3.589) 3.694 22.198 ( -0.709 -2.381 1.774) 3.053 22.213 ( -0.851 -1.297 -3.734) 4.044 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -8.486 9.211 10.835) 16.561 0.801 ( -9.102 11.990 11.098) 18.702 0.993 ( 5.929 8.607 3.788) 11.117 1.134 ( 8.290 0.735 6.880) 10.798 1.201 ( -5.437 13.281 5.557) 15.389 1.489 ( 0.963 3.312 -4.584) 5.737 1.507 ( -3.110 4.937 -2.923) 6.527 1.561 ( -6.705 10.622 -0.264) 12.564 1.625 ( 6.662 3.530 0.328) 7.547 1.773 ( -5.851 3.714 5.937) 9.126 1.861 ( -0.828 -1.148 -0.257) 1.438 1.890 ( 0.093 2.138 0.358) 2.170 1.996 ( 0.758 4.620 -1.370) 4.878 2.006 ( -4.319 1.187 -1.773) 4.817 2.160 ( 5.827 1.978 0.894) 6.218 2.233 ( -3.505 2.485 3.855) 5.773 2.310 ( 5.997 2.612 -3.349) 7.348 2.365 ( 0.569 1.784 -2.290) 2.958 2.426 ( 1.073 2.876 -2.567) 4.001 2.610 ( 5.982 0.498 -1.180) 6.118 2.814 ( -1.732 -3.488 -1.083) 4.042 2.936 ( 0.415 0.346 1.007) 1.142 2.966 ( 0.269 -0.421 -2.378) 2.430 3.143 ( -0.091 -1.614 -1.761) 2.390 3.228 ( -3.405 -1.685 3.947) 5.478 3.260 ( 2.088 -5.463 -0.911) 5.919 3.310 ( -0.123 -2.155 1.808) 2.816 3.340 ( 1.235 -3.005 1.896) 3.762 3.416 ( -1.276 -3.353 2.177) 4.196 3.488 ( 0.208 -1.970 -0.101) 1.984 3.652 ( 1.702 5.056 -4.970) 7.291 3.783 ( 0.825 4.734 2.765) 5.544 3.878 ( -0.438 3.168 3.681) 4.876 3.916 ( -0.196 3.411 3.459) 4.862 4.037 ( -0.728 3.264 -1.957) 3.875 4.164 ( -0.132 0.273 0.080) 0.314 4.211 ( 3.666 3.600 -4.622) 6.911 4.328 ( 4.295 5.121 5.519) 8.668 4.455 ( -0.940 -1.436 -4.419) 4.740 4.637 ( -1.180 6.130 -0.830) 6.297 4.646 ( -2.284 -1.259 -1.743) 3.137 4.759 ( 0.772 -1.367 2.273) 2.762 4.813 ( -5.988 2.489 0.301) 6.492 4.976 ( -5.586 -1.377 2.041) 6.104 5.152 ( -10.818 3.530 10.409) 15.422 5.235 ( -6.523 2.323 -0.031) 6.924 5.308 ( -1.486 3.363 -4.464) 5.783 5.343 ( -3.275 2.520 -1.886) 4.543 5.465 ( -0.973 1.076 -1.703) 2.238 5.645 ( 2.104 -4.087 -2.905) 5.437 5.725 ( 3.240 0.415 -0.128) 3.269 5.746 ( 1.385 -1.730 9.080) 9.347 6.001 ( 0.113 11.254 -7.451) 13.497 6.136 ( 9.312 7.111 -1.268) 11.785 6.267 ( -0.818 -6.055 -1.177) 6.222 6.337 ( -4.205 -4.266 0.820) 6.046 6.429 ( -1.870 -0.985 3.583) 4.160 6.554 ( -2.397 3.257 -2.207) 4.607 6.639 ( -2.973 4.850 2.654) 6.277 6.749 ( 15.362 1.476 -3.261) 15.774 6.972 ( 6.007 -3.014 2.336) 7.115 7.035 ( 6.778 2.446 1.909) 7.454 7.478 ( -6.935 -2.847 -6.027) 9.619 7.664 ( -5.278 3.369 -0.178) 6.264 7.791 ( -8.523 -6.464 0.843) 10.730 8.063 ( -0.125 -0.578 3.470) 3.520 8.264 ( -14.332 -1.037 -2.170) 14.533 8.437 ( -1.779 -5.847 -3.257) 6.926 8.643 ( -0.383 -14.668 -0.162) 14.674 8.777 ( 0.331 -2.545 1.379) 2.913 8.823 ( -3.129 -8.855 -0.855) 9.430 9.035 ( 5.400 -19.942 -3.318) 20.925 9.195 ( -6.236 -1.263 4.976) 8.077 9.616 ( 10.053 -6.680 -2.882) 12.409 9.779 ( -1.096 -5.291 1.492) 5.606 9.949 ( 5.646 -9.898 0.947) 11.435 10.341 ( 0.702 6.397 -0.482) 6.453 10.523 ( -0.719 -0.504 3.788) 3.888 10.591 ( -7.017 -0.176 2.310) 7.389 10.954 ( 7.900 -11.130 -3.893) 14.193 11.266 ( -2.432 14.384 -1.700) 14.687 11.490 ( 7.192 21.917 -6.719) 24.025 11.736 ( 2.213 32.150 2.075) 32.293 12.103 ( 16.256 30.765 0.119) 34.796 12.305 ( -4.474 -2.535 -2.958) 5.932 12.385 ( 2.836 11.589 -2.259) 12.143 12.411 ( -2.451 0.060 2.221) 3.308 12.635 ( 3.060 0.541 1.208) 3.335 13.511 ( 0.637 2.264 -0.086) 2.354 13.565 ( 1.246 3.470 0.837) 3.781 13.661 ( 0.650 5.730 -0.781) 5.819 13.722 ( 3.397 9.526 0.756) 10.142 14.333 ( -3.158 -3.058 -4.504) 6.294 14.447 ( 0.519 3.100 -8.002) 8.598 14.640 ( -5.074 -5.452 4.095) 8.499 14.767 ( -0.009 -6.100 3.774) 7.174 14.903 ( -1.001 -0.078 2.402) 2.604 15.233 ( 17.210 11.911 10.852) 23.576 15.522 ( -7.394 -1.381 -2.013) 7.787 15.935 ( 8.582 -6.184 -1.123) 10.637 16.432 ( -0.391 -4.723 0.326) 4.750 16.452 ( -0.470 -4.128 2.400) 4.798 16.856 ( -3.533 -9.810 -5.463) 11.772 16.928 ( -0.459 -8.622 -2.189) 8.908 19.494 ( -3.794 5.564 1.654) 6.935 19.680 ( -1.405 7.959 -0.760) 8.118 19.715 ( 2.689 8.340 1.238) 8.849 20.012 ( 7.631 3.638 3.735) 9.242 20.059 ( -2.669 1.960 3.132) 4.558 20.289 ( 7.817 2.495 -1.222) 8.296 20.611 ( -9.081 -1.056 -22.664) 24.439 20.763 ( -0.847 -0.446 -8.456) 8.510 20.784 ( -3.565 -0.147 -3.807) 5.218 20.878 ( -3.361 0.288 -3.796) 5.079 21.527 ( -1.483 -8.938 27.880) 29.315 21.865 ( 9.880 -7.844 0.739) 12.636 22.054 ( 1.606 -0.077 -2.192) 2.718 22.084 ( -0.608 0.529 1.316) 1.543 22.181 ( -1.410 -1.686 2.657) 3.448 22.232 ( -3.198 -4.529 6.162) 8.289 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -3.318 11.476 13.857) 18.296 0.844 ( -8.235 13.097 13.927) 20.816 1.153 ( 4.182 4.512 6.771) 9.149 1.309 ( 5.277 6.110 0.550) 8.092 1.320 ( -0.313 5.869 8.200) 10.089 1.405 ( 1.159 2.768 1.860) 3.531 1.470 ( -3.631 12.065 1.381) 12.675 1.507 ( 1.579 3.477 3.903) 5.460 1.717 ( 5.152 1.175 0.319) 5.294 1.782 ( -4.501 0.685 3.859) 5.968 1.837 ( -2.139 -1.460 -1.629) 3.060 1.889 ( -4.719 1.276 1.293) 5.057 1.913 ( -1.953 3.818 2.298) 4.865 2.001 ( 0.058 3.116 1.015) 3.278 2.184 ( -3.949 1.820 2.383) 4.958 2.231 ( 1.939 -0.390 -5.298) 5.655 2.307 ( 0.634 3.308 -5.117) 6.126 2.319 ( 3.549 3.629 -5.646) 7.592 2.418 ( 1.363 6.452 -3.790) 7.606 2.581 ( -0.396 0.847 -9.057) 9.105 2.758 ( -1.361 -3.934 -3.603) 5.505 2.877 ( 0.683 0.088 -9.503) 9.528 3.039 ( 3.061 1.000 7.155) 7.846 3.159 ( 0.280 -3.430 5.695) 6.654 3.263 ( -1.856 0.756 5.862) 6.195 3.286 ( 1.563 -6.051 0.242) 6.254 3.329 ( 0.526 -2.501 1.465) 2.946 3.381 ( 0.777 -4.726 0.901) 4.874 3.429 ( -0.987 -2.641 0.506) 2.864 3.477 ( -0.793 -1.799 -1.214) 2.311 3.626 ( 0.662 0.109 -1.139) 1.322 3.773 ( -0.310 -0.508 -3.188) 3.243 3.939 ( -1.048 3.145 3.385) 4.738 3.951 ( -0.659 4.994 4.656) 6.860 4.013 ( -1.101 4.257 -0.912) 4.491 4.144 ( 1.200 3.638 -3.085) 4.919 4.200 ( 1.368 4.009 -3.988) 5.818 4.314 ( -0.172 0.908 -7.605) 7.661 4.411 ( -2.814 6.442 -2.548) 7.478 4.513 ( -2.945 4.897 -5.384) 7.852 4.659 ( -3.993 -3.077 6.860) 8.513 4.804 ( -0.008 0.766 10.185) 10.214 4.843 ( -1.624 3.733 9.421) 10.263 4.981 ( 1.212 4.739 3.807) 6.199 5.131 ( -11.481 0.681 9.957) 15.212 5.150 ( -5.555 6.904 -0.518) 8.877 5.210 ( -1.063 -2.075 -2.551) 3.456 5.318 ( 2.891 3.619 -5.745) 7.379 5.423 ( 0.877 0.363 -3.580) 3.704 5.644 ( 5.215 -6.413 -6.667) 10.620 5.756 ( 1.851 0.289 0.093) 1.876 5.880 ( 0.206 7.547 -6.380) 9.884 6.026 ( 7.881 -4.514 14.919) 17.467 6.242 ( 3.558 3.926 0.356) 5.310 6.296 ( -1.638 -2.649 6.905) 7.575 6.323 ( 2.728 -4.085 -0.920) 4.998 6.433 ( 0.458 0.558 0.408) 0.829 6.474 ( -4.703 2.487 -1.527) 5.535 6.654 ( -1.582 1.988 5.108) 5.705 6.898 ( 15.286 0.714 -7.752) 17.155 7.098 ( 3.909 -1.051 3.695) 5.481 7.171 ( 7.644 1.905 1.075) 7.951 7.315 ( -4.355 -0.924 -3.886) 5.909 7.488 ( -8.270 4.345 -8.066) 12.342 7.711 ( -9.616 -7.691 4.594) 13.143 7.920 ( -11.724 -0.625 -5.524) 12.975 8.225 ( -0.240 -2.961 6.836) 7.454 8.416 ( 1.340 -3.148 0.236) 3.429 8.574 ( -7.262 -7.981 1.617) 10.910 8.773 ( 2.590 -2.340 -2.194) 4.123 8.828 ( -1.511 -1.369 3.669) 4.198 9.049 ( 3.836 -18.032 -4.603) 19.001 9.229 ( -2.887 -1.540 9.275) 9.835 9.668 ( 6.067 -7.669 -5.504) 11.222 9.785 ( -2.007 -6.038 1.833) 6.621 9.992 ( 1.918 -10.462 -3.853) 11.313 10.405 ( 5.450 2.534 -0.406) 6.024 10.478 ( -5.445 1.542 -0.500) 5.682 10.553 ( -5.213 0.198 5.386) 7.498 10.958 ( 3.233 -8.936 -7.182) 11.911 11.224 ( -0.674 16.073 -0.843) 16.109 11.412 ( 1.289 27.446 -9.854) 29.190 11.922 ( 10.806 19.686 7.799) 23.772 12.241 ( 3.022 2.890 1.514) 4.447 12.255 ( -0.257 -2.575 0.679) 2.675 12.384 ( -2.304 -0.761 0.440) 2.466 12.432 ( 9.602 19.862 -8.687) 23.710 12.621 ( -2.680 2.038 -5.212) 6.205 13.540 ( 0.710 1.092 1.859) 2.270 13.581 ( 0.754 3.610 -0.349) 3.705 13.675 ( 0.965 8.566 1.044) 8.684 13.792 ( 8.005 15.081 -3.426) 17.414 14.167 ( -9.355 0.816 -3.432) 9.998 14.333 ( 0.748 0.123 -8.419) 8.453 14.674 ( -3.853 -1.185 9.793) 10.590 14.835 ( 0.465 -5.522 4.964) 7.440 14.923 ( -1.560 -1.349 2.581) 3.304 15.286 ( -3.158 1.021 -11.967) 12.419 15.761 ( 20.287 1.886 9.365) 22.424 16.017 ( 5.771 -6.886 -1.979) 9.200 16.432 ( -1.537 -5.177 1.443) 5.590 16.485 ( -1.061 -5.079 3.608) 6.320 16.691 ( -6.365 -6.531 -5.031) 10.415 16.863 ( -1.072 -8.200 -5.360) 9.855 19.487 ( -2.330 5.219 3.584) 6.746 19.658 ( 0.266 8.873 -0.320) 8.883 19.731 ( -0.012 7.051 -3.083) 7.696 19.998 ( -9.978 9.139 -14.055) 19.509 20.158 ( 0.582 -0.048 7.093) 7.117 20.217 ( 0.113 3.247 3.375) 4.685 20.373 ( 6.309 2.746 -1.853) 7.125 20.628 ( -0.451 -0.086 -10.287) 10.297 20.722 ( -2.782 2.115 1.291) 3.725 20.827 ( -0.231 0.569 -3.034) 3.095 21.914 ( 9.683 -12.090 12.229) 19.735 21.981 ( 4.999 -6.241 0.897) 8.046 22.069 ( 3.718 -0.113 -0.875) 3.821 22.077 ( -0.486 -0.202 0.048) 0.528 22.219 ( -2.498 -4.881 5.317) 7.638 22.262 ( -6.724 -11.896 8.037) 15.853 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -7.963 12.967 13.350) 20.242 1.198 ( -4.324 11.207 12.775) 17.536 1.323 ( 7.345 5.742 -6.077) 11.129 1.378 ( 1.128 8.289 -3.671) 9.136 1.413 ( -3.429 -0.931 5.037) 6.164 1.541 ( -3.953 0.268 -5.266) 6.590 1.614 ( 2.376 2.796 0.230) 3.676 1.637 ( 0.584 4.543 -0.406) 4.598 1.801 ( -2.541 2.708 3.578) 5.157 1.837 ( 0.760 5.209 6.771) 8.576 1.870 ( 0.224 2.273 -2.877) 3.673 1.923 ( 2.580 3.659 -0.599) 4.518 2.028 ( 0.271 0.684 4.632) 4.690 2.122 ( -2.583 3.933 6.267) 7.837 2.145 ( 0.231 0.398 -6.104) 6.122 2.246 ( 0.848 1.939 0.162) 2.122 2.306 ( -2.988 5.990 -2.030) 6.995 2.409 ( 1.641 5.812 2.471) 6.525 2.460 ( 3.574 5.100 -10.925) 12.575 2.499 ( -2.294 6.135 -6.004) 8.886 2.669 ( 0.053 -0.726 1.001) 1.238 2.730 ( 0.441 -1.770 -5.936) 6.210 3.121 ( -0.239 -4.936 4.579) 6.737 3.166 ( -0.754 -6.635 0.333) 6.686 3.198 ( -0.828 -3.085 4.417) 5.451 3.235 ( -0.513 -4.495 1.604) 4.800 3.290 ( 0.256 -3.453 3.235) 4.739 3.330 ( 0.526 -3.230 -0.443) 3.303 3.345 ( 0.963 -5.111 -1.781) 5.498 3.376 ( -0.065 -0.169 -1.387) 1.399 3.632 ( -0.645 0.763 -0.792) 1.275 3.683 ( 1.120 0.698 -5.892) 6.038 4.049 ( -0.097 5.662 1.790) 5.939 4.078 ( 2.168 0.479 7.000) 7.343 4.115 ( -1.468 8.001 -2.688) 8.567 4.194 ( -2.149 1.621 -3.336) 4.286 4.225 ( -2.001 5.237 1.311) 5.757 4.344 ( 1.552 7.814 -8.404) 11.580 4.513 ( -1.009 5.556 4.482) 7.210 4.587 ( 0.423 6.637 -1.038) 6.731 4.719 ( -1.265 2.433 8.844) 9.259 4.934 ( -0.322 -0.490 -7.609) 7.632 4.988 ( -3.151 0.633 6.704) 7.435 5.092 ( 2.135 2.085 1.296) 3.253 5.121 ( 0.811 5.844 8.087) 10.010 5.243 ( -1.876 1.898 5.653) 6.251 5.271 ( -0.739 0.993 4.410) 4.581 5.311 ( -0.896 3.230 -5.946) 6.826 5.460 ( 1.441 3.319 0.241) 3.627 5.499 ( -1.041 -1.951 -2.693) 3.485 5.788 ( -0.878 -0.400 5.039) 5.131 5.927 ( 1.368 4.987 -9.089) 10.457 6.106 ( -4.549 -7.695 15.104) 17.551 6.223 ( -1.963 -2.526 0.142) 3.202 6.269 ( 2.612 -1.860 0.877) 3.324 6.339 ( 1.825 -2.776 -6.416) 7.225 6.482 ( -0.233 2.297 -0.529) 2.369 6.525 ( 3.199 4.607 -3.324) 6.520 6.771 ( -0.326 5.870 6.331) 8.640 6.942 ( 0.640 4.015 -10.197) 10.977 7.224 ( 0.700 4.372 5.445) 7.018 7.285 ( 1.530 2.396 1.711) 3.318 7.311 ( -1.191 4.039 -2.702) 5.003 7.363 ( -0.355 0.902 -5.699) 5.780 7.567 ( 0.518 -5.088 5.261) 7.337 7.703 ( 0.252 -3.222 -8.640) 9.224 8.218 ( 0.323 -7.431 5.311) 9.139 8.294 ( -0.156 -7.876 -2.679) 8.321 8.580 ( -0.248 0.022 9.128) 9.132 8.727 ( -0.692 -0.515 -4.825) 4.901 8.761 ( 1.845 -5.952 1.216) 6.348 8.798 ( -1.090 -3.905 -1.471) 4.312 9.275 ( -0.442 -5.493 9.551) 11.027 9.459 ( 0.400 -8.921 -8.182) 12.112 9.618 ( -1.159 -8.851 0.949) 8.976 9.693 ( 1.669 -12.142 -5.801) 13.560 10.432 ( -1.289 1.442 -1.418) 2.399 10.450 ( 2.160 2.227 -3.540) 4.707 10.625 ( -1.745 -1.556 7.669) 8.018 10.760 ( 2.251 -4.822 -6.258) 8.214 11.640 ( 0.239 18.465 4.662) 19.046 11.748 ( -0.275 16.460 -6.592) 17.733 12.190 ( 2.331 -5.091 0.829) 5.661 12.201 ( -1.886 -5.270 -0.331) 5.607 12.401 ( 0.960 3.070 4.988) 5.936 12.498 ( -1.292 3.208 -4.472) 5.653 12.553 ( -0.671 19.255 7.642) 20.726 12.720 ( 0.442 16.029 -9.845) 18.816 13.615 ( -0.634 5.414 2.036) 5.819 13.661 ( 0.717 6.316 -2.415) 6.800 13.989 ( -1.315 15.223 5.777) 16.336 14.090 ( 1.152 -0.190 4.252) 4.410 14.112 ( -0.486 13.075 -6.270) 14.508 14.208 ( 0.398 -1.617 -7.415) 7.600 14.809 ( 1.026 -4.638 4.637) 6.638 14.828 ( 1.385 2.195 12.785) 13.046 14.861 ( -2.434 -3.227 -0.010) 4.042 15.112 ( 0.226 2.479 -15.069) 15.273 15.878 ( -0.383 -6.652 0.656) 6.695 15.912 ( 0.342 -1.841 -3.502) 3.971 16.276 ( -0.248 -11.944 5.112) 12.994 16.371 ( -0.128 -8.643 -1.955) 8.863 16.481 ( 0.503 -10.632 1.722) 10.782 16.577 ( -0.234 -9.642 -5.600) 11.153 19.656 ( 0.212 7.043 4.922) 8.595 19.765 ( -0.518 6.960 -6.304) 9.405 19.859 ( -1.155 7.789 3.543) 8.634 19.981 ( 1.477 8.691 -9.388) 12.879 20.300 ( -0.666 2.034 9.241) 9.485 20.399 ( -1.011 5.109 4.944) 7.181 20.452 ( 2.472 2.112 -2.770) 4.271 20.495 ( -1.303 1.303 -7.310) 7.538 20.774 ( -0.004 3.330 0.207) 3.337 20.811 ( 0.352 2.306 -3.139) 3.911 21.774 ( -0.500 -19.716 8.304) 21.399 21.834 ( 0.660 -15.175 0.334) 15.193 22.089 ( -4.331 -0.487 1.399) 4.577 22.093 ( 0.091 -1.544 1.630) 2.247 22.113 ( 0.506 -0.482 -0.637) 0.945 22.129 ( 3.875 -2.866 -1.002) 4.923 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -11.900 7.670 7.558) 16.049 1.233 ( -2.300 11.390 -4.454) 12.444 1.311 ( 2.632 10.641 -6.216) 12.601 1.350 ( 1.163 9.359 1.334) 9.525 1.404 ( -5.814 1.757 4.414) 7.508 1.517 ( -0.121 -1.850 5.797) 6.086 1.582 ( -3.925 3.511 -3.376) 6.255 1.641 ( 0.798 4.275 1.348) 4.553 1.786 ( -4.702 2.866 2.866) 6.208 1.808 ( -4.369 2.351 -4.364) 6.608 1.923 ( 3.462 3.532 -3.907) 6.302 1.937 ( 5.706 2.280 0.222) 6.149 2.053 ( -0.352 0.581 -4.640) 4.690 2.095 ( -1.790 -1.215 5.427) 5.842 2.196 ( 2.914 1.328 -3.652) 4.857 2.220 ( -0.249 1.695 6.230) 6.461 2.342 ( -0.833 5.887 -3.908) 7.115 2.378 ( 1.004 6.112 5.830) 8.506 2.439 ( 3.060 6.552 -4.140) 8.332 2.509 ( 3.350 7.131 5.038) 9.352 2.688 ( 1.251 -0.638 -1.960) 2.411 2.719 ( 2.398 -1.583 3.293) 4.371 3.122 ( -2.634 -4.233 -2.384) 5.526 3.153 ( -2.211 -5.438 1.480) 6.054 3.190 ( -4.190 -3.254 -0.251) 5.311 3.224 ( -2.026 -3.776 -0.589) 4.326 3.297 ( 1.389 -3.665 -1.563) 4.220 3.325 ( 0.443 -3.438 0.499) 3.502 3.374 ( 3.120 -3.247 -2.548) 5.174 3.395 ( 2.884 -2.895 1.581) 4.381 3.642 ( -0.992 0.465 3.024) 3.216 3.649 ( 1.129 0.353 -0.930) 1.505 4.063 ( 0.273 5.865 -2.189) 6.266 4.080 ( -2.060 0.163 -6.132) 6.471 4.100 ( -0.234 5.827 4.165) 7.167 4.185 ( -0.941 1.683 6.463) 6.744 4.282 ( 1.480 7.663 4.379) 8.950 4.295 ( 2.976 7.373 -2.617) 8.370 4.547 ( -0.165 5.196 0.515) 5.224 4.571 ( 1.315 6.845 -0.005) 6.970 4.778 ( -1.606 0.141 -8.622) 8.771 4.856 ( -2.169 0.318 10.461) 10.689 5.044 ( -2.105 2.093 3.738) 4.773 5.082 ( 2.806 2.594 -5.189) 6.444 5.166 ( -0.406 5.578 -9.056) 10.644 5.256 ( 0.473 4.093 5.937) 7.227 5.297 ( 2.013 0.682 -0.003) 2.125 5.337 ( 3.425 0.775 1.563) 3.844 5.409 ( -4.438 1.264 -0.181) 4.618 5.493 ( -0.695 1.520 1.289) 2.111 5.830 ( 0.368 2.178 -6.228) 6.608 5.854 ( -2.085 2.077 7.380) 7.945 6.137 ( -6.738 -2.750 2.063) 7.565 6.202 ( -2.425 -3.435 -1.983) 4.649 6.243 ( -3.636 -2.813 0.718) 4.653 6.323 ( 2.197 -3.551 -3.086) 5.192 6.508 ( 3.317 2.550 1.307) 4.384 6.534 ( 5.060 1.939 -2.658) 6.035 6.772 ( -4.972 5.694 -4.676) 8.888 6.831 ( -5.215 6.824 4.761) 9.820 7.204 ( -4.737 4.910 -3.275) 7.568 7.241 ( -4.656 4.940 1.273) 6.907 7.360 ( 5.992 1.744 -3.686) 7.248 7.412 ( 7.092 1.894 5.614) 9.242 7.660 ( 8.414 -6.128 -6.189) 12.110 7.720 ( 8.528 -5.881 6.806) 12.395 8.242 ( -0.036 -7.634 -4.628) 8.928 8.282 ( 0.375 -8.144 3.069) 8.711 8.583 ( -5.736 -1.218 -6.404) 8.683 8.660 ( -4.519 0.091 5.973) 7.490 8.757 ( -0.513 -5.308 -2.034) 5.707 8.807 ( 0.409 -4.231 1.747) 4.595 9.317 ( -1.743 -6.957 -8.194) 10.889 9.374 ( -3.936 -7.870 7.737) 11.717 9.670 ( 3.086 -11.137 0.068) 11.557 9.683 ( 4.430 -10.258 0.375) 11.180 10.402 ( -0.671 2.211 0.377) 2.341 10.492 ( 5.251 1.385 0.309) 5.439 10.678 ( -1.569 -2.914 0.472) 3.343 10.710 ( 1.596 -3.143 -1.932) 4.020 11.665 ( -0.008 17.924 -4.625) 18.511 11.717 ( 0.096 16.677 5.341) 17.511 12.151 ( -3.200 -4.247 -0.342) 5.329 12.207 ( -1.303 -4.651 -0.324) 4.841 12.425 ( 1.044 3.536 -3.643) 5.183 12.483 ( -0.156 6.270 3.600) 7.232 12.606 ( 0.774 16.722 -5.882) 17.743 12.654 ( -1.448 17.321 7.716) 19.017 13.629 ( -0.611 6.177 -0.048) 6.208 13.644 ( 0.462 5.126 0.073) 5.147 14.000 ( -4.592 14.131 -2.831) 15.125 14.020 ( -3.277 15.482 1.207) 15.871 14.159 ( 2.526 -0.683 -0.054) 2.617 14.180 ( 2.037 -0.711 3.842) 4.406 14.809 ( -1.381 -4.446 -2.869) 5.468 14.854 ( 0.174 -2.657 -3.894) 4.718 14.946 ( 3.496 0.186 -8.989) 9.647 15.044 ( 2.167 1.484 14.300) 14.539 15.814 ( -8.802 -3.142 -0.880) 9.387 15.846 ( -5.991 -4.456 1.100) 7.547 16.325 ( 1.781 -11.192 -4.397) 12.156 16.365 ( 1.726 -10.106 4.376) 11.147 16.500 ( 0.455 -9.712 -3.477) 10.326 16.567 ( 2.352 -10.091 4.387) 11.252 19.692 ( 1.520 7.063 -3.757) 8.143 19.757 ( 2.579 6.718 4.143) 8.303 19.918 ( 3.605 8.442 -5.385) 10.643 19.945 ( 2.943 6.972 7.943) 10.970 20.321 ( -4.684 1.912 -5.728) 7.642 20.358 ( -5.448 2.093 1.623) 6.057 20.418 ( -1.455 3.909 -2.114) 4.676 20.480 ( -0.420 3.721 5.464) 6.624 20.784 ( 0.935 2.025 -0.442) 2.274 20.800 ( 0.885 2.559 1.155) 2.944 21.792 ( -2.813 -15.749 -4.406) 16.594 21.796 ( -3.772 -14.938 0.757) 15.426 22.050 ( -3.701 -0.424 0.586) 3.771 22.056 ( -1.680 -1.069 0.719) 2.117 22.177 ( 4.810 -2.869 -0.103) 5.602 22.199 ( 7.134 -3.877 -2.303) 8.440 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -10.934 6.140 3.556) 13.035 1.075 ( -4.456 9.412 -8.178) 13.241 1.250 ( 4.112 8.429 -9.305) 13.212 1.302 ( -3.904 7.506 -7.043) 11.008 1.437 ( -3.967 8.669 9.331) 13.340 1.555 ( 0.171 5.420 2.329) 5.902 1.604 ( 0.543 6.488 4.447) 7.885 1.661 ( -3.526 6.289 1.400) 7.345 1.670 ( -3.219 1.990 0.050) 3.784 1.796 ( -0.486 0.797 5.187) 5.271 1.892 ( 1.337 1.792 -4.532) 5.053 2.016 ( 3.671 -0.498 -2.904) 4.707 2.029 ( 3.781 1.862 -0.300) 4.225 2.134 ( -1.979 0.537 5.211) 5.600 2.175 ( 1.678 4.321 -5.816) 7.438 2.263 ( -0.008 0.111 1.467) 1.471 2.306 ( -1.681 2.764 0.730) 3.316 2.432 ( 3.881 5.487 -4.335) 7.997 2.466 ( -0.357 3.091 4.121) 5.164 2.601 ( 0.291 3.262 2.592) 4.176 2.713 ( 2.048 -0.134 2.389) 3.150 2.831 ( 2.162 -1.581 7.223) 7.704 3.028 ( -4.372 0.568 -3.769) 5.800 3.080 ( -2.930 -4.079 -2.664) 5.685 3.158 ( -3.448 -5.671 -0.369) 6.648 3.167 ( 0.244 -2.610 -2.729) 3.784 3.307 ( 3.200 -4.247 -2.822) 6.020 3.341 ( 0.597 -3.309 0.632) 3.421 3.376 ( 1.320 -3.466 -2.323) 4.377 3.444 ( 2.856 -2.205 -0.616) 3.660 3.669 ( -2.990 3.727 5.419) 7.225 3.676 ( 0.079 -2.489 2.625) 3.618 3.961 ( -1.587 -3.219 -5.890) 6.897 4.070 ( 1.179 5.645 0.623) 5.800 4.167 ( -0.830 7.838 4.909) 9.285 4.257 ( 1.846 5.185 2.028) 5.865 4.308 ( -2.437 8.008 -0.657) 8.396 4.318 ( 2.750 3.022 1.384) 4.314 4.555 ( -1.769 6.154 -2.003) 6.709 4.616 ( 5.879 3.217 2.142) 7.036 4.693 ( -1.988 2.387 0.705) 3.186 4.842 ( -5.273 3.397 -3.195) 7.040 5.000 ( 0.521 4.666 -5.465) 7.205 5.071 ( 0.960 2.259 -2.856) 3.766 5.132 ( 1.621 0.252 3.510) 3.875 5.277 ( 4.139 -1.230 -3.088) 5.308 5.346 ( 0.089 3.485 3.228) 4.751 5.401 ( 1.912 1.964 1.389) 3.073 5.443 ( 5.342 0.765 4.241) 6.863 5.497 ( -1.170 0.914 2.070) 2.547 5.771 ( -0.170 2.592 -2.794) 3.815 5.914 ( -5.048 3.511 5.293) 8.114 6.038 ( -0.893 1.276 -3.069) 3.442 6.127 ( -6.837 -2.896 0.834) 7.472 6.183 ( -3.605 -2.988 -1.284) 4.855 6.282 ( -0.609 -4.094 -2.901) 5.055 6.550 ( 2.040 3.025 -1.328) 3.883 6.631 ( 1.692 0.033 4.567) 4.871 6.692 ( 2.811 11.403 -2.318) 11.971 6.799 ( -3.124 7.666 0.878) 8.324 7.075 ( -4.994 4.770 -5.404) 8.769 7.144 ( -7.304 4.358 -2.386) 8.834 7.413 ( 5.362 2.247 -0.065) 5.814 7.602 ( 6.111 -3.132 6.386) 9.377 7.733 ( 9.259 -3.789 -3.514) 10.604 7.972 ( 10.933 -9.399 6.665) 15.884 8.170 ( 0.122 -6.718 -4.805) 8.260 8.311 ( 0.907 -7.282 0.844) 7.386 8.423 ( -4.360 -6.738 -3.951) 8.945 8.670 ( -5.179 -0.963 5.569) 7.666 8.720 ( -1.235 -5.271 -1.155) 5.535 8.819 ( -1.982 -1.597 1.589) 3.000 9.223 ( 1.105 -5.824 -4.883) 7.680 9.382 ( -5.520 -8.603 4.171) 11.040 9.675 ( 2.464 -10.582 -3.678) 11.471 9.754 ( 0.840 -10.487 0.455) 10.531 10.403 ( -1.222 2.840 0.628) 3.155 10.575 ( 4.497 0.278 -0.143) 4.508 10.634 ( 2.559 -0.768 -4.060) 4.860 10.720 ( -2.417 -5.254 1.503) 5.975 11.630 ( 1.585 17.108 -1.901) 17.286 11.763 ( -2.447 14.785 3.184) 15.321 12.121 ( -2.020 -0.121 1.176) 2.340 12.188 ( -0.440 -2.899 2.461) 3.828 12.424 ( 2.807 2.294 -3.029) 4.724 12.471 ( -0.120 18.240 -0.240) 18.242 12.607 ( 2.016 5.415 -0.175) 5.780 12.708 ( -5.478 17.154 6.856) 19.268 13.614 ( -0.074 6.925 -0.737) 6.964 13.656 ( -0.301 5.507 0.768) 5.568 13.879 ( -4.249 14.060 -3.385) 15.073 13.986 ( -2.004 13.709 -1.396) 13.925 14.223 ( 2.164 -0.927 3.274) 4.033 14.297 ( 1.309 1.365 10.309) 10.481 14.696 ( 0.235 -6.303 -11.881) 13.452 14.778 ( 0.694 -1.203 -4.863) 5.057 14.938 ( 2.491 -0.747 -2.138) 3.367 15.255 ( 0.407 -0.499 12.081) 12.098 15.623 ( -10.719 2.404 -4.759) 11.972 15.775 ( -6.353 -5.462 1.347) 8.485 16.302 ( 1.281 -10.826 -2.448) 11.174 16.389 ( 0.633 -7.975 -3.128) 8.590 16.533 ( 2.047 -11.861 5.319) 13.160 16.658 ( 1.468 -10.985 4.263) 11.875 19.684 ( 3.590 7.581 -3.092) 8.940 19.824 ( 1.463 7.200 1.862) 7.579 19.912 ( 2.305 8.687 -2.636) 9.367 20.139 ( -2.103 1.070 -2.374) 3.347 20.182 ( 0.644 4.806 6.654) 8.234 20.276 ( -2.386 1.900 -0.913) 3.184 20.356 ( -2.459 3.921 -0.024) 4.628 20.578 ( -2.578 2.497 11.254) 11.812 20.809 ( 3.077 1.847 -0.314) 3.602 20.834 ( -0.337 1.663 2.736) 3.219 21.649 ( -0.813 -13.597 -11.424) 17.778 21.720 ( -5.049 -11.575 -2.550) 12.883 22.019 ( -2.256 -0.085 1.187) 2.551 22.064 ( 0.083 -1.441 1.627) 2.175 22.206 ( 2.634 -2.643 -3.383) 5.037 22.247 ( 5.217 -4.350 -4.120) 7.945 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -10.987 3.370 2.243) 11.709 0.967 ( 1.222 11.174 -4.193) 11.997 1.139 ( -3.676 10.541 -5.370) 12.388 1.196 ( 3.544 10.462 -7.227) 13.200 1.483 ( -2.766 8.071 2.454) 8.878 1.546 ( -0.196 6.282 -0.829) 6.339 1.595 ( -5.221 8.060 6.391) 11.535 1.687 ( 3.741 3.024 0.547) 4.841 1.767 ( 0.165 3.846 7.768) 8.670 1.847 ( -0.549 2.837 3.219) 4.326 1.888 ( 2.285 -0.605 0.019) 2.364 1.973 ( -0.361 0.847 -6.074) 6.144 2.079 ( 1.534 1.951 2.003) 3.189 2.143 ( -1.787 4.972 1.644) 5.533 2.194 ( 4.089 3.422 -0.084) 5.333 2.247 ( -3.313 1.653 2.641) 4.548 2.291 ( 0.111 1.846 -3.149) 3.652 2.388 ( -1.210 -1.385 -3.302) 3.780 2.525 ( 4.477 4.138 -0.549) 6.122 2.579 ( -3.294 4.883 -1.598) 6.104 2.777 ( 0.661 -0.572 3.614) 3.718 2.916 ( -1.960 0.369 -2.503) 3.200 2.951 ( -0.457 -1.561 5.460) 5.697 3.043 ( -0.341 -6.928 0.433) 6.950 3.098 ( -1.421 -4.349 -2.067) 5.020 3.137 ( 0.441 -3.567 -3.412) 4.956 3.311 ( 2.854 -2.269 -2.696) 4.535 3.342 ( -1.526 -1.414 -1.935) 2.841 3.367 ( 1.503 -4.267 0.780) 4.591 3.447 ( 0.573 -1.883 -2.514) 3.193 3.699 ( -1.276 -6.112 4.115) 7.478 3.736 ( -0.374 3.959 5.640) 6.901 3.889 ( -0.233 -1.578 -1.892) 2.475 4.076 ( -0.657 7.313 -1.617) 7.519 4.181 ( 1.576 8.450 -4.039) 9.497 4.221 ( -3.021 6.872 -2.543) 7.926 4.288 ( -0.242 7.941 1.901) 8.169 4.405 ( -1.550 2.138 5.193) 5.826 4.513 ( 2.674 8.498 -1.411) 9.020 4.655 ( -2.003 3.836 -1.770) 4.675 4.735 ( 1.497 1.517 2.463) 3.257 4.767 ( -1.592 5.063 2.182) 5.738 4.949 ( 0.679 4.484 -2.490) 5.173 5.031 ( -0.031 0.527 -4.732) 4.762 5.207 ( -0.730 -2.284 6.088) 6.543 5.340 ( 5.351 -1.998 0.021) 5.712 5.368 ( -1.882 2.101 1.872) 3.385 5.425 ( 1.349 1.700 -3.597) 4.201 5.515 ( -2.109 -1.320 8.699) 9.048 5.619 ( 4.674 2.820 5.372) 7.659 5.734 ( -2.077 6.689 -0.200) 7.007 5.829 ( -0.725 3.771 -7.510) 8.435 6.049 ( -0.294 -2.988 2.058) 3.640 6.110 ( -2.270 -2.207 7.686) 8.313 6.157 ( 2.156 -5.107 -0.795) 5.601 6.220 ( -3.194 -6.235 -2.507) 7.440 6.530 ( 0.204 7.315 -0.890) 7.372 6.660 ( 1.807 10.255 -4.662) 11.409 6.732 ( -1.629 4.568 4.013) 6.294 6.819 ( 4.680 8.127 0.347) 9.384 6.937 ( -2.030 3.667 -6.102) 7.403 7.002 ( -5.384 3.347 -4.166) 7.585 7.503 ( 3.199 0.128 3.529) 4.765 7.673 ( 1.311 -9.904 -4.264) 10.862 7.837 ( 3.219 4.330 5.723) 7.866 8.043 ( 0.625 -5.101 -5.322) 7.398 8.192 ( 1.166 -15.554 3.842) 16.064 8.340 ( -1.045 -15.099 -2.500) 15.340 8.438 ( 9.833 -1.696 4.663) 11.013 8.634 ( -7.187 -1.908 1.709) 7.630 8.728 ( 2.321 -3.014 1.203) 3.990 8.793 ( -3.985 0.017 0.850) 4.074 9.219 ( 3.932 -6.047 -0.845) 7.262 9.334 ( -5.797 -7.248 0.352) 9.288 9.645 ( 0.111 -11.000 -2.213) 11.221 9.721 ( -0.632 -8.867 -3.875) 9.698 10.392 ( -1.487 3.188 1.972) 4.033 10.570 ( 1.638 -0.463 -5.214) 5.485 10.666 ( 2.394 -3.399 -1.639) 4.469 10.676 ( -1.808 -4.188 -0.435) 4.583 11.658 ( 3.141 14.992 0.633) 15.331 11.736 ( -3.732 16.450 -0.012) 16.868 12.139 ( -0.572 0.971 4.262) 4.408 12.248 ( 1.193 -3.427 2.023) 4.155 12.421 ( 2.540 9.186 0.211) 9.533 12.517 ( 1.557 8.079 1.833) 8.429 12.615 ( 2.873 7.434 -2.017) 8.221 12.678 ( -8.200 20.186 3.214) 22.024 13.609 ( -0.412 8.888 0.544) 8.914 13.653 ( -0.001 6.389 -0.902) 6.453 13.816 ( -1.592 12.188 0.635) 12.307 13.927 ( -0.779 12.236 -4.064) 12.917 14.296 ( 1.589 -2.335 3.604) 4.579 14.475 ( 0.187 5.250 10.008) 11.303 14.537 ( 0.108 -9.022 -8.568) 12.442 14.727 ( 0.601 -1.777 -4.210) 4.609 14.963 ( 3.485 4.067 1.013) 5.451 15.248 ( -9.313 6.786 -4.204) 12.266 15.550 ( 4.222 -3.679 2.748) 6.238 15.699 ( -5.519 -4.724 -0.190) 7.267 16.293 ( 0.603 -10.007 -0.718) 10.051 16.345 ( -0.031 -8.741 -3.369) 9.368 16.637 ( 0.788 -12.577 5.898) 13.914 16.714 ( 0.300 -11.528 1.846) 11.679 19.704 ( 3.565 7.978 -1.452) 8.858 19.828 ( -2.394 7.873 -5.588) 9.947 19.893 ( 0.374 9.374 3.512) 10.017 20.054 ( -1.371 4.977 -2.411) 5.698 20.161 ( -0.250 4.020 -2.014) 4.503 20.232 ( -3.502 0.732 -1.959) 4.080 20.560 ( 4.473 -3.255 16.557) 17.457 20.702 ( -1.727 1.899 10.691) 10.995 20.831 ( -0.113 2.391 -0.223) 2.404 20.878 ( 1.560 -1.421 2.005) 2.910 21.497 ( 3.303 -10.699 -11.835) 16.292 21.582 ( -4.788 -9.864 -7.190) 13.112 22.020 ( -1.092 0.094 2.556) 2.781 22.094 ( 0.199 -0.859 1.983) 2.170 22.170 ( 0.645 -1.896 -4.514) 4.938 22.234 ( 2.040 -2.837 -5.027) 6.122 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -7.983 8.762 7.042) 13.788 0.975 ( 6.922 4.355 -2.903) 8.678 1.066 ( -4.665 13.900 2.827) 14.932 1.170 ( 4.586 13.114 -4.864) 14.720 1.498 ( -1.027 7.535 1.063) 7.679 1.511 ( 0.338 5.730 1.020) 5.830 1.636 ( -3.555 4.574 5.178) 7.770 1.707 ( 1.947 2.944 -3.458) 4.941 1.829 ( -3.056 5.237 1.719) 6.303 1.851 ( -0.682 2.788 0.957) 3.025 1.916 ( -1.050 3.310 -2.254) 4.140 1.919 ( 0.452 3.076 1.870) 3.628 2.100 ( -3.489 1.250 2.954) 4.739 2.132 ( 0.612 2.027 -1.062) 2.369 2.204 ( -4.598 6.071 -2.526) 8.024 2.266 ( 3.978 2.064 1.411) 4.698 2.303 ( 2.139 -0.344 3.772) 4.349 2.334 ( 2.299 -0.890 -3.993) 4.692 2.502 ( -3.291 5.317 0.289) 6.260 2.584 ( 5.489 3.759 -2.562) 7.129 2.822 ( -2.340 0.360 1.966) 3.078 2.865 ( 2.429 0.600 -0.961) 2.680 3.025 ( -0.147 -5.842 4.784) 7.552 3.047 ( -0.631 -3.372 -3.574) 4.954 3.061 ( -0.937 -8.028 1.852) 8.292 3.107 ( 2.347 -3.587 -2.581) 5.003 3.289 ( -2.231 -2.064 -0.537) 3.086 3.322 ( 2.007 -0.202 -0.685) 2.130 3.393 ( -2.176 -1.515 -0.146) 2.655 3.409 ( 0.050 -3.900 -0.314) 3.913 3.740 ( -0.374 -7.630 2.501) 8.038 3.769 ( 2.127 -6.341 -1.554) 6.866 3.944 ( -0.104 10.871 6.838) 12.843 3.996 ( 1.571 11.231 -6.986) 13.319 4.158 ( -1.103 5.747 -0.262) 5.858 4.166 ( -0.028 4.839 -0.615) 4.878 4.348 ( 0.997 10.053 5.755) 11.626 4.402 ( 4.162 9.649 -5.386) 11.809 4.539 ( -6.341 3.999 1.390) 7.624 4.616 ( 2.874 2.370 0.252) 3.733 4.754 ( -3.427 1.106 2.310) 4.279 4.791 ( 0.965 4.663 -0.328) 4.773 4.939 ( -2.877 2.770 -0.190) 3.999 4.966 ( 0.488 1.144 -0.937) 1.557 5.246 ( -8.724 0.472 5.645) 10.402 5.334 ( -5.301 -0.527 0.307) 5.336 5.356 ( 2.609 -1.325 -1.368) 3.230 5.410 ( 2.225 -1.322 -1.471) 2.977 5.617 ( -5.410 1.548 7.058) 9.026 5.630 ( -8.174 3.694 6.361) 10.996 5.694 ( -3.955 0.300 -5.975) 7.171 5.751 ( 1.196 4.300 -0.873) 4.548 6.114 ( 3.596 -4.012 -0.551) 5.416 6.142 ( 2.134 -2.617 -1.294) 3.617 6.151 ( 0.649 -4.227 0.212) 4.282 6.267 ( 11.150 -9.108 -0.967) 14.430 6.521 ( -5.718 12.180 -1.347) 13.523 6.603 ( 5.549 10.835 -1.989) 12.335 6.787 ( -1.339 6.217 5.457) 8.380 6.829 ( -0.401 8.556 -2.826) 9.019 6.890 ( -0.663 0.837 -4.958) 5.072 6.943 ( 7.252 3.195 0.981) 7.985 7.551 ( -5.627 -3.664 1.885) 6.974 7.615 ( 1.308 -4.289 -2.064) 4.936 7.909 ( -5.595 0.395 3.017) 6.369 7.983 ( 2.498 -1.343 -2.716) 3.927 8.254 ( -1.311 -15.988 2.363) 16.214 8.290 ( 1.568 -16.962 -2.172) 17.172 8.502 ( -11.388 -2.137 -1.261) 11.655 8.626 ( 7.656 -2.096 1.767) 8.132 8.744 ( -2.458 -3.947 -0.416) 4.668 8.793 ( 3.862 2.089 0.832) 4.469 9.210 ( -7.058 -4.815 0.626) 8.567 9.338 ( 9.571 -7.681 -0.769) 12.296 9.648 ( 0.213 -8.636 0.887) 8.684 9.677 ( 2.991 -10.409 -2.535) 11.123 10.426 ( -2.205 1.930 5.482) 6.216 10.505 ( 3.452 0.774 -7.655) 8.432 10.612 ( -5.690 -2.996 3.031) 7.109 10.721 ( 6.793 -5.393 -2.997) 9.177 11.662 ( -4.709 16.355 0.375) 17.024 11.739 ( 5.831 14.903 -0.420) 16.008 12.199 ( -0.774 0.620 4.937) 5.035 12.233 ( 0.181 -1.225 -4.231) 4.409 12.464 ( -5.119 3.054 -1.460) 6.137 12.516 ( 3.495 2.921 2.727) 5.309 12.570 ( -9.074 19.106 0.857) 21.168 12.718 ( 10.574 16.076 -0.467) 19.247 13.616 ( -1.165 7.981 1.342) 8.177 13.642 ( 1.548 8.674 -1.312) 8.908 13.840 ( -0.155 11.925 2.877) 12.268 13.871 ( 1.779 10.788 -3.317) 11.425 14.347 ( -3.578 -3.051 1.547) 4.950 14.415 ( 4.014 -3.706 -3.352) 6.410 14.621 ( -2.381 -0.894 6.958) 7.408 14.671 ( 0.168 -2.223 -5.026) 5.498 14.990 ( -9.201 6.590 0.860) 11.350 15.178 ( 16.448 11.860 -1.915) 20.368 15.593 ( -6.311 -3.681 -0.006) 7.306 15.684 ( 6.711 -6.570 0.689) 9.417 16.291 ( -1.579 -9.976 0.271) 10.104 16.315 ( 1.195 -9.045 -1.053) 9.184 16.702 ( -0.603 -12.299 2.896) 12.649 16.715 ( -0.391 -12.164 -1.399) 12.250 19.693 ( -5.459 7.823 -0.270) 9.543 19.779 ( 6.109 8.777 -1.114) 10.751 19.941 ( -3.723 9.756 1.965) 10.626 20.020 ( 5.600 8.673 -2.099) 10.534 20.120 ( -6.673 0.216 1.969) 6.960 20.231 ( 7.201 0.624 -1.946) 7.485 20.781 ( -2.753 -3.681 10.276) 11.257 20.800 ( -1.747 -2.140 0.634) 2.834 20.802 ( 0.391 1.702 1.206) 2.122 20.871 ( 2.063 -2.222 -5.461) 6.246 21.355 ( -11.473 -7.297 -1.431) 13.671 21.527 ( 10.706 -9.850 -3.793) 15.034 22.055 ( -0.518 0.176 3.917) 3.955 22.088 ( 0.778 0.378 -3.957) 4.050 22.150 ( -1.551 -2.257 3.063) 4.109 22.183 ( 0.060 -1.657 -4.110) 4.432 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -3.355 13.573 11.609) 18.173 1.060 ( -6.647 13.853 7.850) 17.254 1.082 ( 10.081 -1.607 -0.299) 10.213 1.207 ( 5.198 12.604 0.647) 13.649 1.510 ( 0.278 13.918 3.890) 14.454 1.554 ( 1.828 3.189 -0.120) 3.678 1.596 ( -5.841 3.937 -1.025) 7.118 1.688 ( 1.240 1.975 -1.099) 2.578 1.792 ( -1.318 7.008 -0.732) 7.168 1.841 ( -2.864 -0.017 -3.197) 4.293 1.864 ( -0.746 6.707 -0.220) 6.752 1.936 ( -1.235 1.966 2.494) 3.407 2.044 ( -4.431 2.502 -1.208) 5.230 2.118 ( -3.776 5.135 0.436) 6.389 2.173 ( -0.669 -0.157 4.497) 4.549 2.260 ( -0.162 -0.468 -2.978) 3.018 2.361 ( 5.793 2.303 -2.651) 6.774 2.400 ( 3.425 1.500 -0.464) 3.768 2.490 ( 1.353 4.142 0.290) 4.367 2.621 ( 1.788 0.789 -0.372) 1.989 2.784 ( -0.480 0.681 -3.137) 3.245 2.938 ( 2.780 0.296 2.551) 3.785 2.988 ( 0.608 -0.323 -4.174) 4.230 3.043 ( -0.469 -7.689 -0.655) 7.731 3.092 ( 0.894 -4.405 4.363) 6.264 3.137 ( 1.296 -6.612 1.606) 6.927 3.264 ( -1.743 -4.103 0.254) 4.465 3.332 ( -2.004 -3.569 2.060) 4.583 3.359 ( 0.829 2.251 -0.489) 2.448 3.418 ( -1.408 -2.949 1.413) 3.560 3.729 ( 0.358 -7.076 -2.507) 7.515 3.798 ( 3.847 2.156 -4.074) 6.004 3.897 ( 0.732 3.606 -2.016) 4.195 4.075 ( 0.619 8.425 2.630) 8.848 4.143 ( -0.823 7.487 2.103) 7.820 4.204 ( -0.884 5.285 6.189) 8.186 4.353 ( 3.137 8.887 -7.608) 12.112 4.443 ( -2.973 3.724 -3.471) 5.896 4.487 ( 5.303 7.490 3.298) 9.751 4.627 ( -5.086 1.141 0.943) 5.297 4.709 ( -3.873 -1.605 1.600) 4.487 4.788 ( 0.141 6.081 -0.799) 6.135 4.894 ( -4.971 4.166 3.601) 7.419 4.998 ( -0.233 2.317 3.764) 4.426 5.171 ( -8.323 -0.555 4.409) 9.435 5.237 ( -6.860 -0.996 -0.212) 6.935 5.372 ( -2.730 1.504 -0.540) 3.164 5.406 ( 1.303 2.102 -1.697) 2.999 5.517 ( -6.467 3.463 -1.201) 7.434 5.544 ( -3.440 -5.677 -3.665) 7.582 5.719 ( -6.581 -0.627 16.189) 17.487 5.746 ( -1.006 0.930 0.727) 1.551 6.137 ( 2.282 -0.811 -1.055) 2.642 6.171 ( 6.496 -2.668 -4.005) 8.084 6.201 ( 5.800 2.271 -4.631) 7.762 6.295 ( 3.929 -1.414 -6.273) 7.536 6.490 ( -3.393 6.643 5.385) 9.201 6.672 ( 2.008 9.476 -0.816) 9.721 6.746 ( -1.578 4.852 -5.694) 7.646 6.819 ( 6.559 6.129 -1.033) 9.036 6.955 ( 5.312 2.982 5.591) 8.269 7.088 ( 8.978 2.925 2.732) 9.830 7.444 ( -6.501 -0.853 -2.187) 6.912 7.608 ( -5.153 -6.414 2.377) 8.563 7.785 ( -7.779 2.429 -4.610) 9.363 8.013 ( -0.638 -5.075 1.925) 5.466 8.176 ( -6.337 -9.456 -5.176) 12.505 8.321 ( -2.102 -8.317 -0.269) 8.583 8.353 ( -1.467 -8.133 3.409) 8.940 8.710 ( 1.257 -6.120 -0.050) 6.248 8.729 ( 3.005 -3.426 -0.599) 4.597 8.832 ( 0.423 2.150 0.245) 2.205 9.154 ( -2.560 -3.108 1.820) 4.419 9.450 ( 7.615 -9.609 -2.587) 12.531 9.655 ( 2.456 -8.507 -1.432) 8.969 9.740 ( 3.525 -11.067 1.362) 11.695 10.432 ( 1.202 3.314 -0.666) 3.588 10.513 ( -0.724 -0.148 2.552) 2.657 10.584 ( -3.623 -0.582 1.792) 4.084 10.775 ( 6.157 -6.973 -3.176) 9.830 11.608 ( -3.241 17.745 0.667) 18.051 11.813 ( 5.882 12.338 -1.915) 13.802 12.168 ( 0.232 0.635 -3.915) 3.973 12.228 ( -1.909 -2.342 0.396) 3.047 12.373 ( -3.721 5.556 0.682) 6.722 12.463 ( -5.784 17.135 0.558) 18.094 12.590 ( 0.630 2.040 1.991) 2.919 12.833 ( 9.270 12.262 -5.038) 16.176 13.608 ( -0.656 7.668 0.052) 7.697 13.662 ( 1.618 8.021 0.012) 8.182 13.850 ( 2.206 12.779 0.022) 12.968 13.929 ( 2.840 9.750 3.292) 10.675 14.277 ( -3.056 -2.120 -1.852) 4.155 14.507 ( 1.272 -6.984 4.068) 8.181 14.519 ( -1.197 3.365 -8.563) 9.278 14.684 ( -1.909 -1.258 4.838) 5.351 14.903 ( -3.798 1.063 1.464) 4.207 15.430 ( 6.994 3.283 -5.340) 9.392 15.540 ( 11.263 7.403 2.824) 13.771 15.784 ( 5.886 -8.243 0.248) 10.132 16.273 ( -1.439 -10.828 0.923) 10.962 16.332 ( -0.129 -8.223 1.583) 8.374 16.648 ( -2.006 -11.119 -5.150) 12.417 16.710 ( -1.107 -12.474 -0.667) 12.541 19.633 ( -4.198 7.889 1.819) 9.120 19.849 ( 1.583 8.670 -1.474) 8.936 19.913 ( 1.999 10.632 -0.469) 10.829 20.044 ( -1.924 -0.174 2.479) 3.143 20.154 ( 4.085 6.825 5.336) 9.578 20.322 ( 7.033 0.333 -0.418) 7.053 20.571 ( -6.573 -2.654 -19.061) 20.336 20.764 ( -1.408 -0.913 -6.144) 6.369 20.808 ( -1.191 3.124 -0.223) 3.350 20.878 ( -0.073 0.526 -1.360) 1.460 21.334 ( -6.156 -9.623 19.057) 22.219 21.665 ( 7.825 -11.765 2.112) 14.286 22.056 ( 1.777 0.267 -2.749) 3.284 22.089 ( -0.752 0.074 1.014) 1.265 22.139 ( -1.642 -1.989 0.884) 2.726 22.170 ( -2.971 -2.158 3.550) 5.108 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.792 15.048 13.004) 20.083 1.100 ( -6.411 12.501 12.120) 18.555 1.218 ( 8.823 -1.616 0.382) 8.978 1.329 ( 4.424 7.262 5.122) 9.927 1.474 ( -3.979 4.668 -3.779) 7.205 1.570 ( 2.686 3.256 -0.394) 4.239 1.601 ( -0.367 13.392 2.396) 13.610 1.695 ( -1.021 -0.736 -1.797) 2.194 1.726 ( 2.431 7.886 -1.892) 8.466 1.786 ( -2.891 0.688 1.663) 3.405 1.880 ( 1.179 4.921 0.629) 5.100 1.934 ( -3.806 2.524 1.496) 4.806 1.990 ( -1.519 3.321 1.420) 3.918 2.099 ( -3.965 4.585 4.446) 7.517 2.209 ( 3.031 -0.831 -4.607) 5.577 2.217 ( -2.855 1.180 2.761) 4.143 2.369 ( -1.304 3.925 -0.003) 4.136 2.407 ( 5.367 3.447 -7.350) 9.732 2.504 ( 1.784 2.345 -2.781) 4.052 2.613 ( -0.439 2.142 -2.994) 3.707 2.706 ( -1.625 0.157 -5.181) 5.432 2.852 ( -1.097 -2.456 -10.272) 10.618 3.044 ( 1.430 -2.497 4.879) 5.664 3.102 ( 1.899 -1.288 6.320) 6.724 3.154 ( 0.650 -6.360 1.500) 6.567 3.187 ( 1.634 -5.160 4.029) 6.747 3.257 ( -1.250 -5.897 1.552) 6.225 3.342 ( 0.553 -0.624 -0.208) 0.859 3.357 ( -0.379 -3.113 -0.746) 3.224 3.402 ( -2.344 -2.455 0.519) 3.434 3.682 ( -1.256 -1.142 -3.524) 3.912 3.751 ( 3.154 3.728 -7.855) 9.249 3.958 ( 1.993 -1.942 5.655) 6.303 4.056 ( -1.408 5.668 -1.117) 5.946 4.155 ( -2.950 8.708 1.843) 9.377 4.245 ( -3.654 4.810 1.365) 6.193 4.290 ( 1.230 4.736 -6.658) 8.263 4.386 ( 4.485 6.010 -3.719) 8.370 4.527 ( -6.775 1.668 0.826) 7.026 4.553 ( -1.360 6.108 2.999) 6.939 4.704 ( -0.052 3.322 -1.297) 3.567 4.842 ( -0.846 2.990 11.059) 11.487 4.930 ( -0.845 4.451 8.618) 9.736 5.064 ( 2.253 3.727 2.535) 5.040 5.119 ( -4.561 -1.206 -1.212) 4.870 5.187 ( -3.176 -0.766 4.157) 5.287 5.274 ( -7.772 5.227 2.208) 9.623 5.388 ( 0.316 2.367 -3.777) 4.468 5.444 ( 0.635 0.512 -1.723) 1.907 5.521 ( 0.495 -3.763 -0.310) 3.808 5.750 ( -0.840 -1.145 2.311) 2.713 5.901 ( -4.098 -4.811 20.175) 21.142 6.051 ( 0.607 7.265 -10.223) 12.556 6.211 ( 2.600 -1.408 1.560) 3.343 6.243 ( 3.278 -3.406 -2.090) 5.168 6.333 ( 7.121 -0.698 -3.120) 7.806 6.492 ( -1.695 4.153 1.276) 4.664 6.590 ( -5.765 9.339 -3.013) 11.381 6.712 ( 2.226 3.999 -0.616) 4.618 6.941 ( 13.103 4.124 -5.616) 14.840 7.107 ( 4.082 4.136 6.055) 8.393 7.245 ( 7.755 3.866 1.058) 8.730 7.334 ( -5.205 1.822 -0.834) 5.577 7.519 ( -7.939 -5.693 -2.565) 10.100 7.600 ( -8.716 0.050 -1.959) 8.933 7.878 ( -7.513 -4.202 -8.722) 12.254 8.136 ( -0.382 -6.253 5.861) 8.579 8.317 ( 0.576 -7.672 -0.869) 7.742 8.440 ( 2.280 -4.604 7.245) 8.882 8.721 ( 0.992 -10.607 0.720) 10.678 8.760 ( 2.688 1.639 -2.255) 3.872 8.825 ( -1.411 -0.601 0.239) 1.552 9.179 ( -0.639 -3.525 5.084) 6.220 9.491 ( 5.487 -9.961 -4.517) 12.237 9.652 ( -0.265 -8.086 -2.009) 8.336 9.760 ( 0.338 -12.498 -3.271) 12.924 10.452 ( 3.336 2.022 -3.670) 5.356 10.511 ( -2.919 1.697 -0.351) 3.395 10.557 ( -3.891 0.191 5.554) 6.784 10.794 ( 3.778 -6.780 -4.670) 9.058 11.597 ( -1.258 18.639 2.522) 18.851 11.825 ( 2.512 13.213 -5.696) 14.607 12.154 ( 1.689 -2.063 -0.640) 2.741 12.200 ( 0.419 -2.859 0.015) 2.889 12.365 ( -2.750 1.041 2.731) 4.013 12.453 ( -0.759 20.972 5.208) 21.622 12.582 ( -1.842 2.101 -1.648) 3.244 12.826 ( 4.255 12.026 -9.578) 15.952 13.604 ( -0.651 5.947 0.866) 6.045 13.674 ( 1.197 7.328 -1.364) 7.550 13.912 ( 2.249 14.311 3.686) 14.948 14.012 ( 3.277 6.232 2.365) 7.427 14.207 ( -2.493 3.450 -3.454) 5.481 14.331 ( -1.675 -0.521 -9.935) 10.089 14.652 ( 2.248 -1.007 9.119) 9.446 14.734 ( -1.196 -2.680 6.078) 6.750 14.887 ( -2.825 -1.866 1.867) 3.866 15.305 ( -1.422 0.686 -11.243) 11.354 15.815 ( 14.515 1.299 -1.466) 14.647 15.862 ( 6.755 -5.548 -0.636) 8.764 16.265 ( -2.722 -11.469 1.407) 11.871 16.352 ( -1.849 -8.067 4.123) 9.246 16.534 ( -1.996 -9.970 -5.938) 11.775 16.657 ( -1.576 -11.357 -3.832) 12.089 19.620 ( -2.629 7.626 3.294) 8.713 19.826 ( 0.382 7.646 -2.077) 7.933 19.886 ( -1.893 7.201 -3.029) 8.038 20.132 ( -0.391 3.357 2.714) 4.334 20.207 ( -1.819 4.997 -9.842) 11.187 20.302 ( 2.794 4.956 4.686) 7.371 20.415 ( 4.768 1.482 0.156) 4.995 20.630 ( -2.573 0.224 -7.856) 8.269 20.785 ( -0.159 3.945 -1.327) 4.165 20.851 ( 0.069 2.136 -2.684) 3.431 21.579 ( 0.640 -17.740 18.457) 25.608 21.780 ( 4.236 -13.278 2.049) 14.087 22.067 ( 3.376 -0.008 -1.143) 3.564 22.075 ( 0.589 -0.070 -1.204) 1.342 22.135 ( -4.922 -2.130 3.501) 6.404 22.158 ( -3.710 -2.561 1.762) 4.840 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.438 3.358 4.285) 5.462 1.367 ( -4.157 9.194 6.901) 12.224 1.384 ( -4.582 5.853 5.984) 9.543 1.504 ( 0.555 7.419 2.766) 7.937 1.539 ( 0.683 7.936 -4.753) 9.276 1.605 ( -0.255 5.284 -3.811) 6.520 1.643 ( -1.559 0.530 0.726) 1.799 1.698 ( 3.094 -0.014 -4.641) 5.578 1.830 ( -0.506 1.470 4.618) 4.872 1.895 ( 1.954 -0.349 3.263) 3.819 1.910 ( -1.235 2.064 -2.841) 3.722 1.986 ( -0.852 1.577 -3.511) 3.942 2.053 ( 0.415 0.929 1.494) 1.807 2.134 ( 1.689 0.814 -5.007) 5.347 2.211 ( -1.461 1.442 7.281) 7.565 2.272 ( -0.464 2.247 1.488) 2.734 2.422 ( -4.202 5.241 0.641) 6.748 2.493 ( 1.677 2.061 1.048) 2.856 2.530 ( 6.806 3.644 -5.517) 9.489 2.577 ( -4.531 2.448 -4.506) 6.843 2.709 ( -0.904 3.063 0.220) 3.201 2.737 ( 0.883 1.740 -2.676) 3.312 3.011 ( -0.970 -7.135 3.340) 7.938 3.024 ( 0.400 -5.921 1.958) 6.249 3.093 ( -1.551 -3.891 5.107) 6.606 3.205 ( 0.899 -3.317 -5.676) 6.636 3.238 ( -0.480 -5.155 -0.778) 5.236 3.245 ( 1.092 -2.440 -0.905) 2.822 3.298 ( -1.292 3.692 8.945) 9.763 3.429 ( 1.340 5.376 -4.169) 6.934 3.634 ( 0.060 0.284 2.994) 3.008 3.754 ( 0.529 4.217 -9.493) 10.400 4.027 ( 1.718 -3.871 8.698) 9.674 4.140 ( -0.065 1.687 1.828) 2.489 4.184 ( -2.795 -2.091 -6.162) 7.082 4.232 ( -0.231 1.056 -7.466) 7.544 4.362 ( -2.066 9.972 4.890) 11.297 4.466 ( 0.951 4.646 -5.077) 6.948 4.601 ( -1.409 3.007 5.413) 6.350 4.689 ( 0.551 3.116 -3.322) 4.588 4.806 ( -0.607 6.029 8.058) 10.082 4.953 ( -0.729 2.024 -4.191) 4.711 4.992 ( -4.706 -0.045 9.259) 10.387 5.130 ( 3.261 1.295 -3.446) 4.918 5.197 ( 0.760 0.273 7.384) 7.428 5.218 ( 0.146 -0.297 8.358) 8.364 5.305 ( -1.415 1.184 -2.002) 2.723 5.345 ( -0.809 0.290 -3.138) 3.253 5.499 ( -0.024 2.890 5.721) 6.410 5.567 ( -0.475 5.927 -0.965) 6.023 5.750 ( -2.711 -3.532 8.560) 9.649 5.967 ( 0.934 -3.547 -10.104) 10.749 6.000 ( -4.398 -0.607 11.303) 12.144 6.178 ( 1.026 -2.182 -3.385) 4.156 6.228 ( 1.034 -2.791 -1.965) 3.566 6.266 ( 2.808 -4.093 -5.457) 7.376 6.599 ( 0.310 10.500 -2.078) 10.708 6.633 ( 2.200 8.209 -6.354) 10.612 6.932 ( 1.098 9.455 5.589) 11.038 7.061 ( -1.189 7.129 -6.900) 9.992 7.224 ( 0.807 -8.294 1.721) 8.509 7.293 ( 0.656 -6.689 -4.582) 8.134 7.370 ( 0.124 9.847 3.953) 10.612 7.421 ( 0.152 6.967 -0.991) 7.039 7.516 ( -0.605 -1.916 3.542) 4.072 7.623 ( 0.835 -5.817 -6.677) 8.895 8.022 ( 0.143 -12.083 4.407) 12.863 8.091 ( 0.108 -12.308 -2.471) 12.554 8.620 ( -0.121 4.134 10.476) 11.263 8.672 ( 0.351 -0.267 6.850) 6.865 8.791 ( 0.330 3.731 -6.025) 7.094 8.803 ( -0.559 3.936 -6.315) 7.462 9.159 ( -0.066 -5.535 6.174) 8.293 9.283 ( 0.281 -8.173 -5.500) 9.855 9.435 ( -0.021 -10.009 -0.985) 10.057 9.462 ( 0.425 -10.886 -3.359) 11.400 10.462 ( -1.270 1.727 -0.092) 2.145 10.500 ( 1.649 2.671 -3.744) 4.886 10.592 ( -1.793 -1.828 4.697) 5.350 10.681 ( 2.941 -3.311 -4.397) 6.241 11.892 ( -0.219 7.753 2.038) 8.019 11.955 ( 0.374 5.862 -4.290) 7.274 12.100 ( 0.672 -3.830 0.069) 3.889 12.111 ( -0.716 -3.513 -1.077) 3.744 12.487 ( 0.720 5.704 5.299) 7.819 12.577 ( -1.082 5.359 -3.774) 6.643 12.807 ( -0.108 4.419 7.264) 8.504 12.925 ( -0.076 2.746 -4.498) 5.270 13.798 ( -0.231 11.725 2.103) 11.914 13.849 ( 0.228 10.533 -2.776) 10.895 14.071 ( 0.201 -1.100 3.553) 3.725 14.160 ( -0.197 -2.957 -5.572) 6.311 14.301 ( -1.667 16.713 4.258) 17.327 14.376 ( 1.297 14.653 -2.337) 14.895 14.737 ( 1.097 -2.473 5.060) 5.738 14.798 ( -0.691 -2.467 -1.343) 2.893 14.924 ( -0.083 7.930 9.629) 12.474 15.157 ( 0.126 2.234 -12.996) 13.187 15.805 ( -0.410 0.248 5.638) 5.658 15.937 ( -0.751 3.948 -8.485) 9.389 15.978 ( 1.013 -17.646 4.930) 18.350 16.110 ( -0.124 -17.886 -8.092) 19.632 16.272 ( -0.284 -9.883 7.246) 12.258 16.401 ( 0.350 -8.673 -5.692) 10.380 19.791 ( -0.746 6.150 4.672) 7.759 19.896 ( 0.420 5.805 -5.858) 8.257 19.956 ( -1.751 2.158 4.146) 4.991 20.083 ( 1.958 1.751 -8.757) 9.143 20.374 ( 0.131 4.993 6.378) 8.101 20.482 ( 3.080 2.001 1.110) 3.838 20.497 ( -1.447 4.005 -0.700) 4.316 20.541 ( -2.168 2.682 -1.690) 3.841 20.846 ( 0.401 4.075 -0.505) 4.126 20.879 ( -0.037 4.610 -3.175) 5.597 21.406 ( -0.693 -16.694 8.964) 18.961 21.510 ( 0.861 -16.295 -2.389) 16.492 22.078 ( -2.578 -0.383 0.976) 2.783 22.081 ( -3.690 -0.265 1.268) 3.911 22.102 ( 2.574 -0.298 -0.807) 2.714 22.109 ( 3.859 -0.302 -0.978) 3.992 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -9.526 4.925 0.394) 10.731 1.427 ( -3.760 8.306 -0.175) 9.119 1.478 ( 3.503 1.642 3.501) 5.217 1.491 ( 1.675 7.438 1.976) 7.876 1.527 ( -0.465 8.126 -3.662) 8.925 1.554 ( -3.526 7.024 4.894) 9.259 1.619 ( -3.306 1.725 0.860) 3.827 1.680 ( 1.390 -0.021 -2.079) 2.500 1.839 ( -1.870 2.713 -1.612) 3.668 1.873 ( -2.376 2.648 1.869) 4.019 1.929 ( 2.243 -1.330 -3.773) 4.586 1.995 ( 1.624 1.249 2.045) 2.895 2.057 ( -1.059 -1.031 -2.946) 3.296 2.076 ( -2.013 0.542 3.619) 4.176 2.245 ( 0.079 1.105 -3.230) 3.414 2.268 ( -1.854 2.327 2.085) 3.633 2.399 ( -5.014 2.644 4.910) 7.499 2.471 ( -0.279 3.907 -1.255) 4.113 2.533 ( 5.275 3.574 -4.322) 7.699 2.609 ( 2.679 2.790 3.374) 5.133 2.712 ( 0.056 0.833 2.484) 2.620 2.728 ( 0.973 2.604 -0.947) 2.936 3.027 ( 0.221 -5.652 0.105) 5.657 3.042 ( 0.757 -5.060 -1.971) 5.483 3.130 ( -1.641 -2.400 -0.542) 2.957 3.160 ( 0.882 -2.410 1.343) 2.897 3.237 ( 0.103 -3.859 1.074) 4.007 3.246 ( 1.093 -4.272 -0.836) 4.488 3.368 ( 1.484 4.062 -5.452) 6.959 3.389 ( 0.241 2.953 3.432) 4.534 3.652 ( -0.907 1.046 -4.377) 4.590 3.699 ( -0.796 2.730 6.348) 6.956 4.034 ( -2.953 -3.259 -8.565) 9.628 4.155 ( -0.524 0.105 1.857) 1.933 4.169 ( 1.379 -0.375 4.741) 4.951 4.200 ( 0.414 2.237 5.956) 6.376 4.423 ( 1.935 6.326 0.497) 6.634 4.442 ( 2.212 8.141 0.440) 8.448 4.638 ( -0.278 3.565 -0.023) 3.576 4.666 ( 1.075 2.466 0.792) 2.804 4.835 ( -2.519 5.085 -6.007) 8.263 4.911 ( -1.438 4.702 7.591) 9.045 5.054 ( -3.606 -0.756 6.102) 7.128 5.110 ( 4.637 0.390 -7.282) 8.642 5.236 ( 0.657 1.168 -7.022) 7.148 5.285 ( 2.753 0.452 -6.164) 6.766 5.320 ( 3.004 1.293 4.334) 5.430 5.337 ( 1.920 -0.090 6.119) 6.414 5.482 ( -4.867 5.207 -2.012) 7.406 5.546 ( -2.435 3.552 1.417) 4.534 5.824 ( 0.039 -3.166 -7.598) 8.231 5.845 ( -4.299 -3.946 10.867) 12.335 6.078 ( -5.607 -2.016 7.046) 9.228 6.132 ( 1.962 -2.745 -6.497) 7.321 6.188 ( -3.649 -3.224 1.251) 5.027 6.248 ( 1.501 -3.998 -3.388) 5.451 6.622 ( 3.678 10.183 1.563) 10.939 6.636 ( 5.244 9.552 -1.699) 11.029 6.928 ( -2.889 8.620 -4.546) 10.165 6.990 ( -3.601 7.928 3.806) 9.503 7.290 ( 3.059 -2.580 1.509) 4.276 7.307 ( 3.065 -3.972 -2.274) 5.508 7.378 ( -0.188 6.657 -2.157) 7.000 7.399 ( 0.820 2.372 1.570) 2.960 7.579 ( 4.693 -3.663 -4.227) 7.301 7.607 ( 3.223 -5.388 5.572) 8.394 8.044 ( -0.210 -12.255 -3.680) 12.797 8.071 ( -0.486 -12.902 2.481) 13.147 8.620 ( -5.625 4.907 -8.588) 11.378 8.683 ( -4.352 2.365 1.095) 5.073 8.745 ( -0.069 3.316 1.670) 3.713 8.779 ( -0.505 0.940 4.349) 4.478 9.182 ( -1.566 -5.885 -5.288) 8.065 9.221 ( -2.965 -6.841 4.666) 8.795 9.450 ( 2.326 -10.904 -0.157) 11.150 9.482 ( 4.076 -10.249 0.806) 11.059 10.451 ( -0.433 2.714 0.866) 2.881 10.523 ( 4.235 1.720 0.032) 4.571 10.623 ( -1.449 -2.616 2.916) 4.177 10.661 ( 3.294 -2.196 -5.035) 6.405 11.899 ( -1.185 6.765 -3.049) 7.514 11.925 ( -0.700 5.863 3.664) 6.949 12.073 ( -2.005 -3.192 0.639) 3.824 12.115 ( -0.419 -4.009 0.367) 4.047 12.513 ( 0.590 5.866 -4.453) 7.389 12.571 ( 1.145 5.161 4.405) 6.881 12.850 ( 0.492 4.264 -6.578) 7.855 12.899 ( 0.100 4.100 5.583) 6.928 13.810 ( -0.307 10.940 -2.044) 11.134 13.824 ( -0.988 11.032 2.432) 11.340 14.096 ( 0.790 -1.637 -4.140) 4.522 14.139 ( 0.854 -2.176 4.612) 5.171 14.334 ( -0.758 15.848 -0.827) 15.887 14.344 ( -0.177 17.409 1.066) 17.442 14.741 ( -1.433 -2.218 -4.148) 4.917 14.800 ( 0.531 -2.442 1.051) 2.711 14.995 ( 1.426 5.267 -9.718) 11.145 15.091 ( 0.814 3.619 12.012) 12.572 15.792 ( -6.139 0.824 -2.298) 6.607 15.825 ( -7.117 1.549 2.525) 7.709 16.044 ( 3.427 -15.580 -3.823) 16.404 16.094 ( 2.954 -16.642 6.150) 17.987 16.312 ( -0.284 -9.677 -5.395) 11.083 16.372 ( 0.877 -9.689 4.724) 10.815 19.829 ( 1.061 6.395 -1.865) 6.745 19.882 ( 2.768 5.610 2.609) 6.778 20.021 ( 2.309 1.425 -1.955) 3.344 20.027 ( 1.354 1.808 3.820) 4.438 20.385 ( -3.576 4.436 -6.719) 8.809 20.414 ( -4.137 3.544 2.279) 5.905 20.497 ( -2.268 3.605 -0.806) 4.334 20.545 ( -0.306 2.513 3.914) 4.661 20.845 ( 0.267 4.353 -0.843) 4.442 20.868 ( 0.523 4.436 1.753) 4.798 21.461 ( 0.866 -16.293 -6.421) 17.534 21.478 ( -1.195 -16.037 3.344) 16.426 22.044 ( -3.093 -0.060 1.152) 3.301 22.048 ( -2.816 -0.057 1.045) 3.004 22.146 ( 4.069 -0.816 -0.862) 4.239 22.157 ( 4.841 -1.153 -1.838) 5.305 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -7.812 6.892 0.439) 10.427 1.328 ( -3.442 12.278 -4.608) 13.558 1.427 ( 1.278 8.906 -5.949) 10.786 1.471 ( -5.161 8.323 -2.197) 10.036 1.592 ( -0.881 5.862 5.230) 7.905 1.610 ( 3.954 2.499 1.789) 5.008 1.650 ( -1.741 -0.312 9.965) 10.121 1.694 ( -0.212 1.010 1.904) 2.166 1.795 ( -2.090 1.864 -2.139) 3.524 1.830 ( -3.446 5.210 0.881) 6.308 1.919 ( 0.602 -0.378 -1.861) 1.992 1.969 ( -1.667 -2.971 -0.617) 3.462 2.042 ( 0.842 -1.504 -0.109) 1.727 2.138 ( 1.867 -1.162 3.704) 4.308 2.200 ( -1.338 -0.551 -2.547) 2.930 2.276 ( 1.637 1.684 -0.487) 2.398 2.377 ( -5.089 4.290 3.003) 7.302 2.472 ( -1.699 0.222 -0.610) 1.819 2.547 ( 4.525 3.425 -2.205) 6.089 2.629 ( -1.201 0.448 0.386) 1.339 2.740 ( 0.083 -0.021 1.929) 1.931 2.803 ( 2.676 -0.210 4.621) 5.344 2.985 ( -0.120 -2.671 -5.777) 6.366 3.011 ( -0.224 -3.940 -2.943) 4.922 3.093 ( -2.693 -0.571 -0.104) 2.755 3.194 ( 1.764 2.196 -0.442) 2.851 3.229 ( 2.014 -3.448 -2.305) 4.610 3.284 ( 1.071 -3.252 2.272) 4.109 3.328 ( 2.740 1.540 -3.841) 4.963 3.430 ( 0.231 0.951 1.700) 1.962 3.587 ( -2.206 -3.418 -2.220) 4.635 3.731 ( -5.674 -3.651 1.236) 6.859 3.942 ( 0.996 5.364 1.052) 5.557 4.166 ( 1.360 3.544 1.430) 4.057 4.295 ( 0.195 1.040 9.219) 9.280 4.317 ( -0.150 3.127 9.598) 10.096 4.409 ( 2.861 6.632 -5.597) 9.137 4.474 ( -1.397 8.132 -0.315) 8.257 4.672 ( 5.620 2.029 0.148) 5.977 4.685 ( -1.053 6.367 1.639) 6.658 4.761 ( -0.297 4.525 -0.800) 4.605 4.925 ( -2.242 4.279 -1.549) 5.073 5.058 ( -1.780 0.269 0.002) 1.800 5.074 ( 2.269 -0.820 -4.676) 5.262 5.181 ( 2.490 3.899 -3.297) 5.681 5.256 ( 4.400 -0.502 -4.913) 6.615 5.368 ( 0.207 0.064 0.013) 0.217 5.421 ( 0.482 1.309 0.428) 1.459 5.463 ( 5.140 0.245 2.629) 5.779 5.517 ( -2.339 1.087 1.191) 2.841 5.765 ( 1.069 -3.949 -1.862) 4.494 5.921 ( -8.336 -5.363 12.154) 15.683 6.030 ( 1.580 0.370 -7.094) 7.278 6.072 ( -4.965 -0.392 -0.359) 4.993 6.142 ( -5.316 -1.744 0.783) 5.650 6.202 ( -1.828 -4.012 -2.989) 5.327 6.692 ( 3.308 11.329 0.396) 11.809 6.720 ( 4.358 9.283 2.359) 10.523 6.908 ( 4.660 9.676 0.196) 10.742 6.956 ( -3.057 7.431 -0.581) 8.056 7.193 ( -8.506 4.963 -4.006) 10.632 7.257 ( -2.275 7.181 -5.082) 9.087 7.438 ( 4.198 -1.338 -0.326) 4.418 7.463 ( 4.508 -5.559 1.201) 7.258 7.687 ( 9.134 -4.326 4.473) 11.052 7.737 ( 3.391 -12.370 5.113) 13.808 7.994 ( -0.008 -11.220 -3.172) 11.660 8.072 ( -1.546 -15.156 -0.305) 15.238 8.440 ( -1.764 6.182 -5.919) 8.739 8.646 ( 0.881 0.034 -1.027) 1.353 8.743 ( -6.597 4.310 3.406) 8.584 8.816 ( -2.835 1.149 4.769) 5.666 9.119 ( 0.540 -3.634 -2.952) 4.712 9.221 ( -3.332 -6.900 2.541) 8.073 9.453 ( 0.944 -11.196 -2.698) 11.556 9.548 ( 1.860 -10.665 0.383) 10.832 10.461 ( -0.671 2.927 0.689) 3.081 10.582 ( 2.217 0.201 0.138) 2.230 10.619 ( 0.698 -0.963 -1.989) 2.317 10.640 ( 1.426 -2.933 -3.341) 4.669 11.849 ( -1.951 6.130 0.050) 6.433 11.969 ( -0.027 6.060 3.377) 6.937 12.070 ( -1.369 -2.768 1.587) 3.472 12.133 ( -0.037 -2.118 3.875) 4.416 12.485 ( 2.805 4.761 -3.043) 6.309 12.624 ( -0.267 4.774 2.076) 5.213 12.776 ( 1.341 4.162 -5.521) 7.043 12.947 ( -0.738 3.610 1.796) 4.099 13.797 ( 0.656 10.848 0.003) 10.868 13.835 ( -1.834 10.218 2.063) 10.584 14.063 ( 1.384 1.533 -3.179) 3.791 14.179 ( -1.998 0.137 0.378) 2.038 14.275 ( -1.171 13.250 -1.320) 13.367 14.419 ( 3.019 11.066 3.804) 12.084 14.629 ( -1.948 -0.254 -7.388) 7.645 14.774 ( -0.366 -0.031 -3.644) 3.662 14.990 ( 5.471 8.703 0.968) 10.325 15.255 ( -0.465 1.014 11.396) 11.451 15.689 ( -6.613 2.002 -0.579) 6.934 15.717 ( -7.636 1.096 -0.846) 7.760 16.058 ( 1.734 -11.920 -1.206) 12.106 16.193 ( 0.530 -12.570 -0.430) 12.589 16.260 ( 1.458 -15.073 2.009) 15.276 16.441 ( 0.083 -10.877 3.803) 11.523 19.833 ( 3.407 6.946 -2.311) 8.075 19.952 ( 0.958 5.597 3.177) 6.506 20.017 ( 4.196 1.443 -2.299) 4.998 20.166 ( -0.556 -0.645 7.182) 7.232 20.227 ( -4.226 4.312 -4.047) 7.268 20.363 ( -2.285 4.218 -1.019) 4.904 20.429 ( -2.731 3.963 -2.365) 5.363 20.617 ( -1.392 0.930 7.980) 8.153 20.858 ( 1.187 3.497 0.697) 3.758 20.896 ( -0.504 4.595 1.863) 4.984 21.369 ( 2.259 -13.786 -9.746) 17.034 21.464 ( -2.529 -13.507 -1.408) 13.813 22.022 ( -2.246 0.351 1.536) 2.744 22.045 ( -1.190 -0.540 2.438) 2.766 22.170 ( 2.765 -1.115 -2.945) 4.190 22.190 ( 3.934 -1.915 -2.788) 5.188 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -4.919 10.796 2.541) 12.133 1.215 ( -1.245 13.397 -6.921) 15.130 1.368 ( -3.288 11.505 0.319) 11.970 1.418 ( 0.854 10.936 -1.380) 11.055 1.612 ( 0.154 3.593 0.289) 3.607 1.645 ( -1.479 3.631 -1.481) 4.191 1.718 ( -0.503 4.776 2.450) 5.391 1.730 ( -1.527 2.785 0.244) 3.186 1.758 ( -1.528 -4.293 6.871) 8.245 1.867 ( 0.805 -0.331 3.616) 3.719 1.904 ( -0.265 0.661 1.671) 1.816 1.965 ( 2.502 -1.785 -0.619) 3.135 2.067 ( -0.615 -2.482 2.770) 3.770 2.178 ( 0.542 -1.218 0.805) 1.557 2.190 ( -0.731 -3.764 0.945) 3.949 2.246 ( 0.653 -1.295 -6.411) 6.573 2.355 ( -1.472 5.357 1.106) 5.664 2.415 ( -1.327 3.116 -2.143) 4.008 2.591 ( 1.317 1.857 0.644) 2.366 2.621 ( -0.116 -0.564 0.139) 0.592 2.779 ( -1.018 -1.740 4.655) 5.073 2.864 ( 0.093 -3.262 1.103) 3.445 2.908 ( 0.050 -3.576 -4.575) 5.807 2.945 ( -1.764 -1.320 -3.992) 4.560 3.070 ( -0.031 0.909 0.368) 0.981 3.162 ( 0.740 2.251 -4.960) 5.497 3.270 ( 2.448 -0.613 0.981) 2.708 3.325 ( 1.548 0.033 -0.910) 1.796 3.331 ( 0.034 1.954 2.525) 3.193 3.429 ( -0.361 -0.059 -1.771) 1.809 3.536 ( -1.494 -8.037 -0.536) 8.193 3.628 ( -2.506 -10.068 -4.523) 11.319 4.047 ( 0.880 12.174 9.524) 15.482 4.207 ( 0.236 5.647 2.117) 6.036 4.345 ( 0.248 8.247 -5.005) 9.650 4.363 ( -1.133 4.454 -2.778) 5.371 4.442 ( -0.196 6.251 8.338) 10.423 4.472 ( -1.099 6.276 7.007) 9.471 4.685 ( -0.602 7.188 2.077) 7.506 4.755 ( 0.692 5.197 -2.427) 5.777 4.794 ( 5.719 3.662 1.688) 6.998 4.861 ( -3.809 4.997 -0.529) 6.305 5.009 ( 1.424 0.873 -5.611) 5.854 5.029 ( -1.960 -0.549 -2.597) 3.299 5.190 ( 0.360 1.064 2.615) 2.846 5.309 ( 4.068 -1.182 0.618) 4.281 5.354 ( -0.804 -1.992 -1.327) 2.525 5.431 ( 0.793 -0.702 -5.848) 5.943 5.502 ( 1.837 -0.429 6.552) 6.818 5.614 ( 1.599 -2.472 6.321) 6.973 5.793 ( 3.381 -4.167 0.647) 5.405 5.890 ( -6.282 -1.112 -0.933) 6.447 5.966 ( -8.678 -1.423 3.065) 9.313 6.013 ( 2.717 -1.988 -2.587) 4.246 6.088 ( -0.762 -2.269 -0.777) 2.516 6.124 ( -1.173 -3.449 -4.247) 5.596 6.744 ( 3.415 11.797 1.416) 12.363 6.806 ( 2.576 8.812 2.223) 9.446 6.897 ( -0.132 7.838 -3.724) 8.678 7.002 ( -4.459 6.431 -2.103) 8.103 7.006 ( 1.235 7.684 -1.690) 7.964 7.155 ( -1.442 9.998 -5.523) 11.513 7.480 ( 3.205 -5.811 -0.110) 6.637 7.515 ( -0.674 -3.013 1.203) 3.313 7.825 ( 1.589 -14.023 3.994) 14.667 7.854 ( 4.476 -3.686 3.543) 6.796 7.956 ( -1.220 -9.305 -1.204) 9.461 8.023 ( -1.304 -16.228 -3.576) 16.668 8.469 ( 8.357 4.726 1.760) 9.761 8.653 ( -8.935 3.191 1.333) 9.581 8.709 ( 5.565 -0.494 1.716) 5.844 8.813 ( -5.298 1.390 2.815) 6.158 9.115 ( 2.009 -3.313 -0.392) 3.894 9.194 ( -3.044 -5.978 -0.197) 6.711 9.423 ( -0.084 -10.800 -1.082) 10.854 9.531 ( -0.277 -10.423 -3.859) 11.118 10.448 ( -1.562 2.590 0.739) 3.114 10.566 ( 0.334 -0.117 -3.338) 3.357 10.593 ( -1.980 -3.040 -2.036) 4.160 10.624 ( 3.622 -2.027 -3.288) 5.295 11.863 ( -0.324 6.772 4.004) 7.874 11.993 ( 0.204 8.636 -1.104) 8.709 12.094 ( -0.618 -3.140 4.635) 5.633 12.191 ( 0.500 -2.104 2.438) 3.259 12.510 ( 3.492 4.149 -0.047) 5.423 12.615 ( -2.255 4.898 -0.872) 5.462 12.760 ( 1.730 2.384 0.532) 2.993 12.922 ( -1.534 3.139 -2.877) 4.526 13.823 ( 1.629 10.796 0.932) 10.957 13.832 ( -1.900 10.627 1.609) 10.915 14.048 ( 1.580 6.845 -1.747) 7.239 14.111 ( -3.308 5.726 -2.374) 7.027 14.282 ( 0.292 3.938 2.173) 4.507 14.434 ( 0.542 0.255 -6.973) 6.999 14.578 ( 0.850 3.384 2.507) 4.296 14.708 ( -1.095 -0.568 -4.249) 4.425 15.155 ( 9.291 16.137 6.986) 19.888 15.365 ( -4.800 2.902 7.928) 9.712 15.556 ( -6.529 6.468 -1.270) 9.277 15.635 ( -1.530 -0.835 -3.213) 3.656 16.060 ( 1.109 -12.495 -0.806) 12.570 16.134 ( -0.808 -12.298 -4.428) 13.096 16.360 ( 0.671 -15.676 6.687) 17.056 16.473 ( -0.085 -12.823 0.779) 12.847 19.857 ( 2.922 7.032 -0.709) 7.647 19.964 ( -2.263 5.938 -2.702) 6.905 20.069 ( 1.808 2.645 2.627) 4.143 20.103 ( -0.149 6.178 1.185) 6.292 20.211 ( -2.932 -2.192 -1.393) 3.917 20.294 ( -1.721 8.094 -5.478) 9.924 20.498 ( 2.450 -3.400 10.643) 11.439 20.708 ( -0.634 -2.325 6.301) 6.746 20.880 ( -0.140 2.543 0.590) 2.614 20.902 ( 0.016 4.698 0.004) 4.698 21.282 ( 2.619 -10.482 -7.209) 12.989 21.375 ( -2.565 -10.600 -5.555) 12.239 22.027 ( -1.217 0.545 2.827) 3.126 22.073 ( -0.744 -1.043 3.407) 3.640 22.147 ( 1.239 -0.563 -4.359) 4.566 22.187 ( 2.054 -1.960 -3.843) 4.778 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -1.762 14.500 6.902) 16.155 1.128 ( 2.567 11.379 -5.742) 13.002 1.348 ( -4.729 13.451 3.931) 14.790 1.429 ( 3.907 11.997 -2.285) 12.823 1.607 ( -1.032 4.702 0.555) 4.846 1.627 ( 1.449 3.384 0.107) 3.683 1.707 ( -2.780 1.967 0.854) 3.511 1.734 ( 1.109 1.478 -0.048) 1.848 1.823 ( -1.892 -3.628 3.239) 5.219 1.854 ( 1.536 -1.836 -0.140) 2.397 1.953 ( -4.495 0.419 -0.528) 4.545 2.019 ( 3.387 4.372 1.405) 5.706 2.086 ( -2.454 -2.502 3.527) 4.973 2.118 ( 0.052 -3.269 -2.727) 4.258 2.202 ( -0.895 -3.937 -2.351) 4.672 2.215 ( 2.313 -3.918 0.062) 4.550 2.375 ( 1.381 4.597 1.842) 5.142 2.386 ( 1.858 4.998 -2.173) 5.758 2.596 ( -1.979 2.577 0.963) 3.389 2.623 ( 0.884 -0.507 -0.560) 1.163 2.829 ( -1.491 -1.475 3.589) 4.157 2.867 ( 1.010 -3.380 -0.005) 3.528 2.873 ( -0.324 -4.046 -2.604) 4.823 2.888 ( 1.064 -5.670 0.297) 5.777 3.093 ( 0.542 2.609 1.120) 2.890 3.104 ( -0.099 2.816 -3.154) 4.229 3.275 ( -4.533 1.152 1.141) 4.814 3.322 ( 1.193 2.267 -1.328) 2.885 3.342 ( -3.947 -1.664 2.231) 4.830 3.429 ( 5.029 3.387 -2.214) 6.454 3.538 ( -0.466 -10.959 0.919) 11.008 3.579 ( 4.289 -11.121 -2.078) 12.099 4.184 ( -0.256 11.700 6.869) 13.570 4.216 ( 0.351 10.174 -2.188) 10.413 4.283 ( -1.772 6.114 -2.235) 6.747 4.295 ( 0.456 6.910 -1.399) 7.065 4.532 ( -0.371 7.500 3.692) 8.368 4.558 ( 2.281 6.573 2.342) 7.341 4.693 ( -1.881 6.751 1.322) 7.131 4.700 ( -2.126 8.472 -2.683) 9.138 4.781 ( -8.578 2.132 2.112) 9.088 4.870 ( 2.971 3.539 -0.760) 4.682 4.968 ( -1.307 -1.296 0.688) 1.966 4.980 ( -0.153 -0.157 -1.791) 1.804 5.252 ( -5.150 -0.273 7.163) 8.826 5.272 ( -6.142 -1.550 -1.925) 6.621 5.349 ( 1.319 -3.110 -1.160) 3.572 5.365 ( 3.010 -0.992 -3.121) 4.448 5.567 ( -11.835 -5.553 4.839) 13.940 5.650 ( -2.502 0.514 2.264) 3.413 5.760 ( -7.064 -4.170 0.693) 8.232 5.798 ( -8.572 7.126 3.275) 11.619 6.018 ( 13.046 -8.198 0.074) 15.408 6.063 ( 11.017 -2.982 -4.325) 12.205 6.095 ( 3.989 -1.618 -2.523) 4.989 6.109 ( 5.613 -3.276 -1.520) 6.675 6.775 ( -5.377 11.615 0.106) 12.800 6.812 ( -1.318 8.443 -2.145) 8.811 6.898 ( 5.271 6.915 4.883) 9.972 6.930 ( 6.424 5.294 -5.574) 10.019 7.046 ( -3.302 10.292 -0.138) 10.809 7.080 ( 1.649 9.181 -1.125) 9.395 7.478 ( -4.287 -3.722 0.533) 5.702 7.529 ( 2.019 -4.304 -0.162) 4.757 7.873 ( -4.808 -4.797 1.291) 6.913 7.881 ( -2.670 -11.194 0.926) 11.545 7.960 ( 2.894 -14.560 -0.605) 14.857 7.974 ( 3.248 -10.133 -1.837) 10.798 8.501 ( -10.475 2.476 -0.692) 10.786 8.649 ( 10.560 3.847 0.898) 11.275 8.725 ( -8.392 -0.211 0.698) 8.424 8.837 ( 6.516 1.631 0.447) 6.732 9.114 ( -3.836 -3.693 0.229) 5.330 9.189 ( 5.873 -6.211 -0.633) 8.571 9.453 ( 1.642 -10.674 3.142) 11.247 9.467 ( 0.805 -10.455 -4.474) 11.401 10.457 ( -1.505 1.367 3.552) 4.093 10.517 ( 2.949 0.591 -5.780) 6.516 10.562 ( -3.004 -2.117 2.763) 4.598 10.638 ( 4.938 -3.278 -3.293) 6.780 11.917 ( -1.648 9.052 3.339) 9.788 11.963 ( 2.193 7.792 -3.105) 8.670 12.158 ( -0.531 -2.662 4.835) 5.545 12.185 ( -0.129 -2.567 -3.347) 4.220 12.531 ( -4.949 4.643 -0.984) 6.857 12.583 ( 2.999 4.494 1.045) 5.503 12.794 ( -5.053 2.921 1.719) 6.084 12.871 ( 4.259 0.675 -1.808) 4.676 13.824 ( -1.745 11.431 0.880) 11.597 13.854 ( 1.856 10.615 -0.344) 10.781 14.046 ( -1.889 5.890 -0.952) 6.259 14.076 ( 3.037 8.625 0.703) 9.171 14.320 ( -1.416 2.192 1.314) 2.921 14.353 ( 1.563 0.426 -2.567) 3.036 14.620 ( -2.288 -0.362 0.088) 2.318 14.653 ( 2.075 -0.354 -0.470) 2.157 15.226 ( -14.117 16.943 1.318) 22.093 15.436 ( 12.419 10.950 1.313) 16.608 15.559 ( 2.619 1.633 1.973) 3.663 15.584 ( 2.569 -0.819 -2.501) 3.678 16.051 ( -2.985 -13.710 0.136) 14.032 16.099 ( 3.072 -12.123 -1.263) 12.570 16.426 ( -2.393 -15.563 2.919) 16.014 16.470 ( 1.912 -12.935 -1.516) 13.163 19.841 ( -6.108 6.751 0.868) 9.145 19.944 ( 7.072 7.447 -1.772) 10.422 20.082 ( -7.131 -0.527 2.393) 7.540 20.153 ( -2.152 7.663 2.163) 8.248 20.194 ( 5.371 6.809 -0.869) 8.716 20.224 ( 5.123 1.153 -3.908) 6.546 20.661 ( -1.136 -6.661 10.075) 12.131 20.701 ( -1.772 -6.603 -6.631) 9.524 20.880 ( -0.511 4.496 1.423) 4.743 20.908 ( 2.073 4.272 -1.416) 4.955 21.209 ( -7.842 -7.089 0.373) 10.578 21.331 ( 7.380 -9.613 -3.053) 12.497 22.060 ( -0.890 0.319 3.856) 3.970 22.095 ( 0.765 0.319 -3.254) 3.358 22.112 ( -1.543 -1.528 2.768) 3.518 22.151 ( 0.755 -1.506 -3.907) 4.255 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 4.172 8.982 0.429) 9.913 1.188 ( 1.780 14.655 7.989) 16.786 1.332 ( -4.272 13.060 3.585) 14.201 1.463 ( 4.187 12.082 -0.947) 12.822 1.612 ( 0.029 2.179 0.317) 2.203 1.637 ( -2.112 2.217 -0.427) 3.091 1.685 ( -2.050 1.544 1.479) 2.962 1.764 ( 0.952 2.893 1.341) 3.328 1.800 ( -0.361 1.919 1.288) 2.339 1.852 ( -1.310 -2.999 -4.715) 5.740 1.924 ( 1.066 -2.128 1.273) 2.700 1.975 ( 1.626 2.706 -4.820) 5.762 2.074 ( -1.388 -0.049 -3.001) 3.307 2.149 ( -2.189 -1.482 2.096) 3.373 2.182 ( -2.331 0.218 6.277) 6.699 2.231 ( 2.482 -1.693 -2.853) 4.143 2.415 ( 2.701 3.615 -0.039) 4.512 2.428 ( 4.153 2.338 0.543) 4.796 2.569 ( -1.679 2.424 -1.343) 3.240 2.630 ( 0.873 -0.300 0.204) 0.945 2.809 ( 0.019 -1.128 -4.026) 4.181 2.875 ( 0.026 -4.888 -0.571) 4.922 2.880 ( 0.557 -4.096 2.721) 4.949 2.946 ( 1.095 -5.429 3.381) 6.489 3.083 ( 0.027 2.722 0.990) 2.896 3.121 ( -1.287 3.117 3.723) 5.023 3.214 ( -3.246 -0.381 -0.693) 3.341 3.308 ( -2.395 -3.001 -0.002) 3.840 3.312 ( -0.614 1.714 -0.618) 1.923 3.466 ( 3.139 3.912 -1.957) 5.384 3.552 ( 1.076 -9.007 1.576) 9.207 3.680 ( 7.012 -9.293 2.884) 11.993 4.094 ( -0.260 11.421 -10.422) 15.463 4.210 ( -1.301 5.320 -2.623) 6.072 4.294 ( -2.284 7.416 5.690) 9.622 4.343 ( -1.084 6.439 5.126) 8.302 4.500 ( 0.936 5.601 -8.161) 9.943 4.532 ( 0.861 5.593 -7.256) 9.202 4.649 ( -11.008 1.201 3.189) 11.523 4.685 ( -1.104 9.521 0.609) 9.604 4.710 ( -5.022 2.569 7.549) 9.423 4.881 ( 0.411 2.168 -1.433) 2.631 4.950 ( -2.900 1.426 3.329) 4.640 5.015 ( -0.533 -1.101 6.067) 6.189 5.169 ( -4.301 0.709 0.015) 4.359 5.223 ( -5.386 0.530 1.529) 5.624 5.354 ( -0.823 -4.457 0.800) 4.602 5.399 ( -1.029 -0.385 1.233) 1.652 5.439 ( -4.548 -4.685 1.935) 6.810 5.571 ( -6.693 2.427 -2.086) 7.419 5.708 ( -5.590 -3.477 4.320) 7.873 5.784 ( -8.686 4.821 12.264) 15.783 6.137 ( 8.978 -0.391 -5.299) 10.432 6.143 ( 5.968 1.137 -0.839) 6.133 6.174 ( 9.752 -4.430 -6.901) 12.742 6.204 ( 12.192 -6.188 -4.300) 14.332 6.691 ( -4.446 12.367 0.268) 13.145 6.794 ( 2.789 5.783 -3.874) 7.499 6.937 ( -5.076 10.821 -3.068) 12.340 6.961 ( 4.448 7.545 -1.405) 8.871 7.085 ( 6.825 8.031 7.123) 12.720 7.155 ( 4.498 3.751 3.645) 6.899 7.421 ( -4.183 -1.715 0.705) 4.575 7.509 ( -3.422 -2.677 -2.214) 4.876 7.772 ( -8.194 -3.976 -2.503) 9.445 7.823 ( -1.508 -13.579 -3.127) 14.015 7.969 ( -0.114 -10.404 -1.514) 10.515 8.042 ( 3.011 -14.393 2.572) 14.928 8.371 ( -4.922 4.399 1.360) 6.740 8.621 ( -5.905 -1.717 0.789) 6.200 8.781 ( 6.971 5.070 -0.305) 8.625 8.890 ( 2.502 3.536 -2.201) 4.858 9.083 ( -0.878 -3.232 0.572) 3.398 9.262 ( 4.990 -8.480 -1.528) 9.957 9.443 ( 2.501 -11.573 -1.869) 11.986 9.530 ( 1.922 -10.611 2.050) 10.977 10.483 ( 0.858 1.897 0.996) 2.308 10.515 ( -0.500 0.260 1.752) 1.840 10.570 ( -0.580 -0.597 1.349) 1.585 10.671 ( 5.099 -3.847 -2.867) 7.002 11.885 ( -0.142 9.420 -2.532) 9.756 11.995 ( 1.621 6.619 0.436) 6.828 12.125 ( 0.221 -2.905 -4.187) 5.101 12.183 ( -1.444 -1.914 0.156) 2.403 12.446 ( -4.794 4.880 0.534) 6.862 12.633 ( 0.934 4.040 0.993) 4.264 12.718 ( -3.806 3.805 0.384) 5.395 12.940 ( 2.292 -0.417 1.764) 2.923 13.805 ( -1.388 11.519 -0.354) 11.608 13.867 ( 1.752 9.738 -1.253) 9.973 14.026 ( -0.649 3.419 0.621) 3.535 14.150 ( 3.819 9.439 2.117) 10.400 14.289 ( 0.052 4.947 -1.097) 5.068 14.394 ( -1.151 -0.945 3.204) 3.533 14.572 ( -1.201 0.995 0.030) 1.560 14.709 ( 1.982 1.584 2.439) 3.519 15.034 ( -9.793 14.959 -2.298) 18.026 15.435 ( -0.476 0.295 -6.717) 6.741 15.644 ( 2.396 -4.080 3.208) 5.716 15.735 ( 15.486 7.658 -1.701) 17.359 16.028 ( -1.762 -12.798 2.321) 13.126 16.142 ( 2.131 -9.963 0.872) 10.225 16.369 ( -2.212 -17.407 -4.762) 18.181 16.484 ( 0.736 -10.350 -0.800) 10.407 19.784 ( -4.577 6.907 2.202) 8.573 19.987 ( -3.784 2.547 -0.934) 4.656 20.041 ( 2.211 2.963 -1.426) 3.963 20.118 ( 2.166 9.524 0.810) 9.800 20.291 ( 5.119 2.155 1.303) 5.705 20.307 ( 4.728 3.083 2.782) 6.293 20.511 ( -3.869 -3.524 -12.043) 13.131 20.710 ( -2.765 -4.368 0.607) 5.205 20.882 ( 0.708 3.950 -1.532) 4.296 20.925 ( 1.600 4.200 -0.822) 4.569 21.164 ( -5.958 -7.415 9.354) 13.341 21.426 ( 5.457 -11.891 1.492) 13.169 22.064 ( 1.656 0.534 -2.836) 3.328 22.089 ( -0.802 -0.063 0.701) 1.067 22.110 ( -1.177 -1.041 0.716) 1.727 22.134 ( -2.109 -1.605 2.390) 3.569 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 6.161 4.218 1.994) 7.728 1.310 ( -1.550 13.724 7.342) 15.641 1.346 ( -4.103 12.433 9.093) 15.940 1.524 ( 3.398 9.362 0.791) 9.991 1.551 ( -4.330 3.440 -2.239) 5.966 1.622 ( 0.276 3.120 -0.372) 3.154 1.669 ( -0.644 -0.831 -1.224) 1.613 1.750 ( -0.633 0.823 -3.874) 4.011 1.788 ( 1.529 -0.789 -2.100) 2.715 1.860 ( -0.422 2.047 1.711) 2.701 1.930 ( 3.768 3.213 0.630) 4.992 1.996 ( 0.142 1.463 1.456) 2.069 2.025 ( -0.226 0.408 -0.853) 0.972 2.131 ( -1.330 -1.170 -0.176) 1.780 2.210 ( 1.109 0.525 -1.511) 1.946 2.243 ( -1.310 2.711 3.624) 4.712 2.444 ( -1.314 3.492 2.922) 4.739 2.482 ( 3.542 4.212 -2.779) 6.165 2.520 ( 1.242 -0.293 -3.406) 3.637 2.649 ( 0.700 1.076 -0.324) 1.324 2.749 ( -0.851 1.865 -3.580) 4.125 2.804 ( -1.085 -1.657 -6.644) 6.933 2.954 ( 0.153 -4.055 5.563) 6.885 2.993 ( -0.572 -7.943 2.849) 8.458 3.083 ( -3.468 -1.670 2.481) 4.580 3.181 ( -0.706 2.747 7.223) 7.760 3.207 ( 3.286 -1.178 -1.094) 3.659 3.275 ( -2.156 -2.568 -0.165) 3.357 3.284 ( -1.123 -2.531 -1.970) 3.399 3.456 ( 1.301 4.828 -3.320) 6.002 3.598 ( 1.042 -3.944 2.042) 4.562 3.817 ( 5.424 -5.338 1.067) 7.685 3.955 ( -0.100 7.385 -6.484) 9.828 4.150 ( -1.867 3.217 -1.492) 4.008 4.298 ( -4.683 0.384 -3.217) 5.695 4.324 ( -4.049 5.425 4.049) 7.888 4.378 ( 0.441 6.421 -9.550) 11.517 4.506 ( 1.595 4.823 -1.126) 5.203 4.570 ( -5.732 1.494 4.522) 7.452 4.685 ( -1.648 7.821 3.693) 8.805 4.754 ( 0.910 2.579 0.901) 2.879 4.885 ( -3.268 0.216 7.738) 8.403 4.991 ( -0.841 0.316 4.811) 4.894 5.107 ( 0.429 0.354 6.888) 6.910 5.121 ( -2.628 1.770 -0.159) 3.172 5.182 ( -1.868 1.208 -0.066) 2.225 5.343 ( -2.927 -0.207 1.136) 3.147 5.398 ( -4.206 0.588 0.152) 4.250 5.414 ( 0.196 -0.695 3.873) 3.940 5.540 ( 1.536 2.856 1.957) 3.788 5.705 ( -4.100 -2.773 5.468) 7.376 5.866 ( -7.431 0.794 16.247) 17.884 6.109 ( 5.996 -1.213 -13.947) 15.230 6.193 ( 4.948 -1.991 -4.211) 6.796 6.208 ( 3.772 0.246 -1.221) 3.972 6.279 ( 6.836 -4.004 -4.848) 9.288 6.641 ( -2.334 11.617 -1.195) 11.909 6.738 ( 0.171 7.370 -9.133) 11.737 6.862 ( -0.305 9.720 1.854) 9.900 7.041 ( 7.732 4.824 -1.340) 9.212 7.236 ( 0.448 3.158 5.487) 6.347 7.285 ( 5.688 1.200 2.141) 6.195 7.369 ( -5.632 2.731 -0.839) 6.316 7.419 ( -1.935 -0.107 -0.159) 1.945 7.583 ( -8.109 -3.346 -5.044) 10.119 7.729 ( -2.313 -10.531 -6.338) 12.507 7.968 ( -0.822 -10.776 3.433) 11.339 8.097 ( 1.666 -13.625 0.045) 13.726 8.441 ( 3.438 4.200 8.697) 10.251 8.603 ( -2.111 -1.711 4.700) 5.429 8.838 ( 3.110 4.615 -2.026) 5.922 8.862 ( 0.332 4.845 -4.369) 6.532 9.098 ( 0.172 -4.080 2.373) 4.723 9.295 ( 4.387 -9.048 -2.896) 10.464 9.452 ( 1.126 -11.405 -1.713) 11.588 9.531 ( -1.491 -10.702 -2.466) 11.083 10.487 ( 0.477 1.567 -2.222) 2.761 10.543 ( -0.604 1.255 1.609) 2.129 10.556 ( -2.660 -0.011 1.631) 3.120 10.691 ( 3.709 -3.858 -3.620) 6.460 11.874 ( 0.946 8.950 -0.212) 9.003 11.995 ( 1.410 5.252 -3.197) 6.308 12.095 ( 0.711 -3.034 -1.621) 3.512 12.142 ( -0.892 -2.293 -2.049) 3.202 12.429 ( -2.039 5.202 3.974) 6.856 12.630 ( -0.779 4.407 -1.536) 4.731 12.724 ( -1.416 4.310 5.587) 7.196 12.963 ( 0.386 0.764 -1.120) 1.409 13.787 ( -0.631 11.677 0.269) 11.697 13.869 ( 1.358 9.601 -1.907) 9.882 14.036 ( -0.409 0.288 1.906) 1.971 14.214 ( 2.269 2.517 -1.168) 3.584 14.278 ( -0.460 10.644 -0.241) 10.657 14.382 ( -2.474 8.944 1.330) 9.375 14.630 ( 2.335 -0.730 5.890) 6.378 14.768 ( 1.913 2.536 2.366) 3.961 14.909 ( -5.879 8.848 0.535) 10.637 15.315 ( -0.109 0.749 -10.141) 10.169 15.723 ( 2.122 -2.890 3.878) 5.281 15.876 ( 8.988 -5.439 -2.185) 10.730 16.045 ( 0.924 -4.874 -2.459) 5.536 16.171 ( -1.344 -10.244 3.417) 10.882 16.257 ( -1.841 -17.588 -6.201) 18.740 16.460 ( -0.017 -8.830 -3.276) 9.418 19.766 ( -3.121 6.748 3.175) 8.084 19.936 ( -3.043 2.143 1.413) 3.981 19.990 ( 0.172 4.905 -5.585) 7.435 20.204 ( 0.066 2.048 -4.731) 5.156 20.275 ( 3.284 3.538 -1.811) 5.156 20.397 ( 3.120 3.598 3.507) 5.914 20.452 ( 2.754 3.065 3.203) 5.219 20.634 ( -3.139 0.005 -4.124) 5.183 20.863 ( 0.757 3.943 -2.586) 4.776 20.917 ( 0.504 4.515 -2.434) 5.154 21.271 ( -2.418 -13.227 13.050) 18.737 21.499 ( 2.618 -14.324 0.437) 14.568 22.069 ( 3.072 0.216 -1.452) 3.405 22.075 ( 1.080 0.073 -1.404) 1.773 22.110 ( -3.372 -0.748 2.613) 4.331 22.122 ( -3.089 -1.293 1.384) 3.624 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.359 6.516 2.221) 6.893 1.474 ( -1.907 5.371 -1.513) 5.897 1.497 ( -4.955 1.198 4.814) 7.012 1.612 ( 4.183 -5.593 -5.063) 8.626 1.631 ( 1.392 3.252 2.640) 4.413 1.645 ( 2.323 0.274 0.574) 2.408 1.674 ( -2.242 3.985 -3.145) 5.549 1.703 ( -1.998 2.202 -3.729) 4.769 1.844 ( -0.104 0.373 6.083) 6.095 1.868 ( -1.696 -1.811 5.792) 6.301 1.974 ( -0.693 4.569 -0.438) 4.642 2.009 ( -0.270 1.259 -4.032) 4.233 2.047 ( 1.605 -0.432 2.706) 3.175 2.131 ( 0.311 -5.470 7.922) 9.632 2.199 ( -0.970 3.547 -6.135) 7.152 2.281 ( -0.634 -3.022 -4.292) 5.287 2.527 ( -3.323 4.657 2.943) 6.434 2.554 ( 2.473 4.226 1.877) 5.244 2.592 ( 2.005 1.630 -0.658) 2.666 2.616 ( -0.611 -0.832 -1.253) 1.624 2.738 ( -1.395 1.877 1.371) 2.711 2.790 ( 0.139 5.206 -3.395) 6.217 2.850 ( 0.203 -8.089 4.296) 9.162 2.919 ( -0.079 -6.041 -1.285) 6.176 3.081 ( -2.076 1.731 3.267) 4.240 3.137 ( -1.192 -3.682 0.829) 3.958 3.160 ( 2.107 -0.744 -3.645) 4.276 3.188 ( 1.193 -2.764 -3.038) 4.277 3.446 ( -1.159 9.794 8.111) 12.769 3.579 ( 1.147 8.701 -3.731) 9.537 3.613 ( 0.039 -4.494 5.824) 7.357 3.734 ( 0.489 -6.410 -2.647) 6.952 4.026 ( 1.329 4.145 -0.176) 4.357 4.109 ( -0.629 -3.651 0.025) 3.705 4.142 ( -1.700 -0.178 -8.181) 8.357 4.199 ( 0.290 -3.904 -8.363) 9.234 4.537 ( 0.258 5.321 2.534) 5.899 4.561 ( -1.563 5.211 0.733) 5.490 4.621 ( -1.472 0.200 4.310) 4.559 4.691 ( -0.066 -3.011 -3.232) 4.418 4.938 ( -1.574 5.701 6.607) 8.867 4.982 ( -5.658 -0.459 7.190) 9.161 5.002 ( 0.189 3.087 5.161) 6.017 5.103 ( 2.655 -4.477 -1.749) 5.491 5.197 ( 1.063 1.702 4.943) 5.335 5.229 ( 0.666 -0.506 6.706) 6.758 5.325 ( -1.419 1.140 -2.301) 2.934 5.343 ( -0.284 -0.408 -2.645) 2.691 5.572 ( -1.016 3.746 7.876) 8.781 5.637 ( 0.402 -2.098 5.366) 5.775 5.718 ( -3.078 4.292 0.570) 5.312 5.843 ( -0.663 -7.171 -5.044) 8.792 6.042 ( -1.583 3.532 1.396) 4.115 6.123 ( -0.543 -4.017 -1.329) 4.266 6.179 ( 2.267 -0.564 -6.192) 6.618 6.201 ( 3.230 -2.312 -5.439) 6.735 6.836 ( 0.949 11.100 -2.022) 11.322 6.863 ( 0.967 13.976 -4.292) 14.653 7.037 ( 0.633 -9.665 1.251) 9.766 7.113 ( 0.640 -10.918 -6.085) 12.516 7.146 ( 1.300 12.725 3.264) 13.202 7.223 ( -0.868 9.556 -4.030) 10.408 7.403 ( -0.446 -10.413 1.449) 10.523 7.443 ( 0.840 -11.549 -2.251) 11.796 7.575 ( -0.417 9.045 2.024) 9.279 7.595 ( 0.361 11.352 0.252) 11.360 7.776 ( 0.010 -11.481 4.032) 12.168 7.838 ( 0.454 -12.614 -1.888) 12.762 8.705 ( -1.610 2.851 9.762) 10.297 8.712 ( 0.958 2.804 10.442) 10.854 8.865 ( 0.385 3.741 -6.385) 7.410 8.897 ( 0.624 2.222 -8.365) 8.678 9.108 ( -0.259 2.574 2.940) 3.916 9.173 ( 0.454 -1.669 -3.279) 3.707 9.241 ( 1.204 -8.515 -0.395) 8.609 9.260 ( -1.023 -9.508 -2.530) 9.892 10.500 ( -1.931 2.046 1.554) 3.214 10.536 ( -1.541 -0.698 1.086) 2.010 10.571 ( 2.005 1.414 -2.012) 3.173 10.621 ( 3.042 -2.850 -4.043) 5.807 11.991 ( -0.397 3.092 0.284) 3.130 12.025 ( 0.683 2.024 -3.035) 3.711 12.040 ( -0.398 -2.318 -0.088) 2.354 12.060 ( 0.108 -1.843 -2.053) 2.761 12.624 ( 0.300 7.800 5.545) 9.575 12.710 ( -0.587 7.719 -2.987) 8.298 12.771 ( 0.082 -5.972 6.247) 8.643 12.865 ( -0.282 -6.879 -2.904) 7.472 13.988 ( -0.351 6.796 0.047) 6.805 13.992 ( 0.296 4.168 -0.303) 4.190 14.044 ( 0.386 -1.676 1.890) 2.555 14.090 ( -0.503 -4.085 -2.797) 4.976 14.614 ( 0.030 10.770 4.016) 11.494 14.630 ( -0.183 9.360 2.524) 9.697 14.701 ( 0.873 -1.779 4.808) 5.201 14.753 ( -0.908 -2.751 -0.610) 2.960 15.209 ( 0.385 20.279 -1.569) 20.344 15.268 ( -0.301 12.439 -6.924) 14.240 15.590 ( -0.377 -20.359 2.344) 20.497 15.694 ( 0.492 -23.425 -7.720) 24.669 15.891 ( -0.489 7.595 8.616) 11.496 16.055 ( -0.656 4.139 -5.609) 7.002 16.079 ( 0.782 -6.558 5.142) 8.370 16.227 ( 0.293 -8.819 -7.162) 11.365 19.891 ( -1.601 3.907 4.629) 6.265 19.944 ( -1.920 -1.316 4.212) 4.813 20.008 ( 1.411 3.958 -6.104) 7.410 20.072 ( 1.986 -2.273 -7.690) 8.261 20.466 ( 0.825 3.676 4.360) 5.763 20.505 ( 1.922 -0.144 2.788) 3.389 20.565 ( -1.496 2.423 -1.121) 3.060 20.581 ( -1.517 0.853 -0.809) 1.919 20.946 ( -0.203 6.510 1.934) 6.794 21.005 ( 0.419 8.430 -3.541) 9.153 21.124 ( -0.589 -11.673 6.092) 13.180 21.217 ( 0.765 -12.950 -3.526) 13.443 22.075 ( -3.127 0.029 1.208) 3.352 22.077 ( -3.292 -0.170 1.307) 3.546 22.101 ( 3.220 0.124 -0.992) 3.372 22.104 ( 3.382 -0.223 -1.023) 3.541 ======================= Grid point 155 (85/90) ======================= q-point: ( 0.14 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -6.623 7.636 1.031) 10.160 1.493 ( -6.465 -3.727 6.028) 9.593 1.535 ( 3.481 4.122 2.503) 5.948 1.582 ( 0.852 3.274 -4.171) 5.370 1.603 ( -2.272 -0.093 -2.687) 3.520 1.647 ( 1.551 -2.670 -1.775) 3.561 1.670 ( -0.365 5.632 3.547) 6.666 1.711 ( 1.380 2.755 2.606) 4.036 1.860 ( -1.272 0.256 -3.997) 4.202 1.891 ( -2.025 -1.380 0.746) 2.562 1.947 ( -2.121 2.724 1.396) 3.724 1.983 ( -0.611 -1.520 2.793) 3.238 2.069 ( -1.384 3.802 -8.278) 9.214 2.110 ( -2.128 2.608 2.981) 4.496 2.198 ( -0.599 -3.966 -2.807) 4.895 2.234 ( -2.724 -4.899 7.528) 9.386 2.507 ( -3.207 6.090 1.043) 6.961 2.554 ( -1.984 3.821 -1.292) 4.495 2.589 ( 0.909 -0.277 -1.523) 1.795 2.625 ( 0.424 -1.575 -0.178) 1.641 2.740 ( 0.487 4.721 -0.052) 4.746 2.788 ( 1.206 4.805 2.353) 5.484 2.890 ( 2.573 -7.788 -3.686) 8.992 2.926 ( 1.481 -7.112 2.377) 7.643 3.117 ( -0.191 0.810 3.477) 3.575 3.144 ( 3.506 0.625 -3.407) 4.929 3.160 ( 0.041 -3.232 2.707) 4.216 3.176 ( 2.200 -2.444 -2.270) 3.996 3.498 ( -0.056 8.108 -7.482) 11.032 3.518 ( -3.088 8.854 5.241) 10.742 3.637 ( -1.866 -3.999 -6.525) 7.878 3.678 ( -3.696 -5.908 5.026) 8.592 4.033 ( 0.817 4.262 -3.340) 5.476 4.126 ( 2.222 0.306 6.493) 6.869 4.143 ( 2.505 -4.392 0.035) 5.056 4.175 ( 2.501 -3.215 5.072) 6.505 4.551 ( 0.899 5.871 -0.839) 5.998 4.579 ( 1.267 4.588 1.175) 4.902 4.665 ( 1.993 -1.071 -2.025) 3.036 4.670 ( -0.021 -1.205 4.153) 4.325 4.949 ( -3.427 5.379 -0.290) 6.384 5.008 ( -2.171 2.667 5.917) 6.844 5.033 ( -1.212 0.162 0.038) 1.224 5.092 ( 3.474 -2.363 -5.640) 7.033 5.251 ( 2.730 1.494 -7.632) 8.242 5.286 ( 2.659 -1.164 -6.540) 7.156 5.333 ( 3.091 0.938 6.536) 7.290 5.348 ( 3.318 0.131 4.030) 5.221 5.585 ( -4.856 4.708 -2.624) 7.255 5.615 ( -3.227 2.915 -1.018) 4.466 5.722 ( -5.556 -5.468 2.000) 8.048 5.735 ( -5.279 -5.172 4.703) 8.760 6.078 ( -3.436 1.388 6.727) 7.680 6.109 ( 1.026 -0.379 -3.272) 3.450 6.131 ( -1.583 -1.265 0.439) 2.073 6.170 ( 1.865 -3.564 -4.435) 5.987 6.863 ( 4.946 12.030 -1.574) 13.102 6.878 ( 4.962 13.213 1.198) 14.165 7.047 ( 0.018 -4.103 -3.434) 5.351 7.075 ( 0.412 -2.108 1.656) 2.713 7.197 ( 4.852 2.215 0.189) 5.337 7.249 ( 4.828 5.937 1.074) 7.728 7.401 ( -1.290 -10.437 0.383) 10.523 7.434 ( -0.037 -7.989 -0.759) 8.025 7.579 ( -1.395 9.872 0.771) 10.000 7.582 ( -0.574 7.161 -1.054) 7.261 7.789 ( -1.293 -12.315 -3.586) 12.891 7.806 ( -2.161 -12.782 2.261) 13.159 8.733 ( -3.542 4.776 -9.287) 11.028 8.745 ( -2.680 3.029 -5.018) 6.445 8.811 ( -2.266 1.341 4.634) 5.330 8.817 ( -3.670 1.567 7.451) 8.452 9.133 ( 0.711 2.076 -1.228) 2.515 9.146 ( -0.138 0.866 0.622) 1.075 9.249 ( 1.632 -8.873 -0.012) 9.022 9.280 ( 3.079 -9.720 0.897) 10.235 10.505 ( -0.723 2.681 1.892) 3.360 10.547 ( 0.399 -0.544 1.750) 1.875 10.586 ( 2.618 0.031 -1.212) 2.885 10.618 ( 3.901 -2.155 -3.915) 5.932 11.978 ( -2.505 2.129 -1.555) 3.637 11.994 ( -2.132 1.331 1.523) 2.939 12.031 ( -0.360 -0.661 1.274) 1.480 12.055 ( -0.157 -2.193 1.403) 2.608 12.654 ( 0.545 8.041 -4.769) 9.365 12.700 ( 0.786 7.597 4.091) 8.665 12.809 ( 0.733 -6.308 -5.515) 8.411 12.853 ( 0.761 -6.520 4.299) 7.847 13.981 ( -0.937 4.967 0.357) 5.067 13.989 ( -0.267 6.394 -0.082) 6.400 14.052 ( -0.103 -2.636 -1.806) 3.197 14.083 ( 0.505 -3.524 2.334) 4.257 14.626 ( -0.408 9.330 -1.569) 9.469 14.640 ( -0.460 9.938 -1.345) 10.039 14.713 ( -0.509 -1.062 -3.564) 3.754 14.756 ( 0.322 -2.524 1.567) 2.988 15.217 ( 1.659 18.217 -0.626) 18.303 15.251 ( 1.838 14.806 4.599) 15.612 15.614 ( 0.242 -20.230 -4.048) 20.632 15.651 ( -0.098 -20.616 6.384) 21.582 15.934 ( -0.860 6.120 -6.907) 9.268 15.993 ( -1.862 7.736 7.356) 10.836 16.113 ( -1.245 -10.148 -7.143) 12.472 16.177 ( -0.915 -9.937 6.235) 11.767 19.937 ( 0.686 4.390 0.561) 4.478 19.973 ( 2.999 3.444 0.675) 4.617 20.005 ( -0.089 -2.162 2.316) 3.169 20.026 ( 2.371 -1.568 -1.293) 3.122 20.466 ( -2.918 2.838 -5.484) 6.829 20.474 ( -3.254 1.875 -1.755) 4.146 20.551 ( -2.413 1.856 2.235) 3.776 20.571 ( -1.353 0.028 3.522) 3.773 20.966 ( 0.702 8.118 -2.245) 8.452 20.986 ( 0.521 7.889 2.417) 8.267 21.172 ( 1.473 -12.626 -5.072) 13.686 21.190 ( -0.021 -12.639 3.596) 13.141 22.046 ( -2.915 0.167 1.276) 3.187 22.048 ( -2.895 -0.032 1.224) 3.144 22.137 ( 3.747 -0.079 -1.373) 3.991 22.141 ( 3.921 -0.469 -1.636) 4.275 ======================= Grid point 156 (86/90) ======================= q-point: ( 0.29 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -5.033 10.877 2.334) 12.211 1.485 ( -5.368 -4.663 5.765) 9.154 1.518 ( -3.428 5.017 -0.658) 6.112 1.566 ( -0.612 2.286 0.909) 2.536 1.630 ( 3.339 0.686 1.502) 3.725 1.648 ( 0.425 -2.019 -2.141) 2.973 1.723 ( 2.021 5.679 -1.009) 6.111 1.746 ( -0.403 7.119 5.197) 8.824 1.805 ( 0.766 0.807 -1.889) 2.193 1.856 ( 0.920 -4.839 -2.133) 5.368 1.926 ( -4.400 -1.548 -3.311) 5.720 1.939 ( -6.880 0.917 3.201) 7.643 1.985 ( -0.437 0.798 -1.485) 1.741 2.088 ( 0.446 -4.848 -1.440) 5.077 2.196 ( -2.642 1.921 2.762) 4.278 2.263 ( -3.020 -3.384 2.250) 5.063 2.478 ( -1.788 5.549 0.488) 5.850 2.521 ( -1.265 4.465 -1.186) 4.790 2.564 ( -0.117 -2.304 -1.050) 2.535 2.610 ( -0.987 -3.358 -0.713) 3.572 2.750 ( 2.087 4.023 -1.249) 4.701 2.842 ( 0.340 3.978 1.999) 4.465 2.874 ( 2.331 -6.787 -3.880) 8.158 2.945 ( 0.073 -4.890 -1.824) 5.220 3.127 ( -0.272 2.549 0.483) 2.608 3.175 ( 3.606 -2.204 -2.159) 4.746 3.207 ( 2.075 -1.098 2.493) 3.424 3.212 ( 1.126 -0.852 3.096) 3.403 3.412 ( 2.188 4.718 -6.170) 8.069 3.490 ( -3.427 2.300 -1.105) 4.272 3.541 ( -3.057 -1.274 -3.036) 4.493 3.605 ( -5.612 -5.501 -3.859) 8.755 4.111 ( 3.152 8.897 8.087) 12.429 4.203 ( 2.791 0.073 4.050) 4.919 4.274 ( 1.278 -1.292 8.766) 8.952 4.308 ( 1.781 -3.706 9.338) 10.203 4.557 ( 0.909 6.837 -0.888) 6.954 4.600 ( 0.539 3.390 0.710) 3.505 4.694 ( 4.334 0.626 -1.042) 4.501 4.725 ( 0.313 -1.923 3.054) 3.623 4.898 ( -0.826 7.677 -1.248) 7.822 4.987 ( 5.083 1.042 -8.349) 9.830 5.026 ( -5.007 -1.697 4.413) 6.886 5.053 ( 3.404 -2.125 -6.808) 7.902 5.242 ( 4.342 1.928 -2.199) 5.235 5.260 ( 4.788 0.172 -4.698) 6.710 5.395 ( 2.427 2.778 -3.143) 4.847 5.437 ( 3.913 -0.574 -1.198) 4.132 5.476 ( -1.908 2.821 -3.108) 4.611 5.549 ( -1.663 0.249 -0.871) 1.894 5.660 ( -7.151 -2.985 4.680) 9.053 5.756 ( -10.996 -8.939 12.374) 18.813 6.059 ( 3.468 2.032 -7.430) 8.448 6.089 ( -2.659 0.710 0.882) 2.890 6.111 ( -5.585 -1.126 1.955) 6.023 6.135 ( -2.610 -2.395 -0.186) 3.547 6.927 ( 6.171 9.336 -1.506) 11.292 6.961 ( 2.177 13.243 -0.010) 13.420 7.037 ( 3.931 1.191 -1.566) 4.396 7.101 ( 2.344 6.775 0.938) 7.230 7.227 ( -1.704 -0.204 -3.369) 3.781 7.336 ( 2.784 0.335 -0.761) 2.906 7.377 ( -2.057 -0.758 0.772) 2.325 7.407 ( -0.372 -8.846 -0.094) 8.855 7.586 ( 2.191 3.501 2.228) 4.693 7.619 ( 2.630 -0.278 3.643) 4.502 7.731 ( -0.888 -13.430 -1.592) 13.553 7.792 ( -2.532 -11.869 1.689) 12.253 8.579 ( 0.046 6.364 -6.859) 9.356 8.651 ( 0.759 -0.751 -4.475) 4.601 8.814 ( -6.838 2.124 4.201) 8.302 8.838 ( -5.686 -0.041 5.713) 8.061 9.131 ( 1.854 4.898 -1.931) 5.582 9.153 ( -0.095 1.658 0.736) 1.816 9.255 ( 0.413 -8.080 -1.622) 8.251 9.331 ( 1.579 -10.961 0.232) 11.077 10.517 ( -0.854 2.672 0.660) 2.882 10.565 ( -1.831 -2.125 1.515) 3.188 10.601 ( 3.386 0.022 -3.216) 4.670 10.610 ( 3.041 -0.714 -4.887) 5.800 11.929 ( -2.685 2.945 1.634) 4.308 11.983 ( -2.272 -2.504 2.758) 4.364 12.074 ( 0.660 1.859 3.531) 4.044 12.103 ( 0.357 -1.215 4.551) 4.724 12.606 ( 1.709 7.160 -4.061) 8.407 12.735 ( 0.384 -0.815 -2.212) 2.389 12.758 ( 1.172 2.680 -1.773) 3.421 12.897 ( 0.414 -6.446 0.636) 6.490 13.975 ( -0.798 4.455 0.785) 4.593 13.990 ( -0.156 7.458 0.881) 7.511 14.040 ( 0.872 -2.096 -0.628) 2.355 14.114 ( -0.628 -4.854 1.949) 5.268 14.562 ( -0.527 9.567 -6.081) 11.349 14.597 ( -0.396 6.162 -3.365) 7.032 14.646 ( -0.193 1.947 -5.054) 5.420 14.746 ( -0.867 -3.343 -2.511) 4.270 15.296 ( 2.809 15.539 6.161) 16.950 15.373 ( 3.214 16.092 7.924) 18.223 15.593 ( -0.459 -14.419 1.238) 14.479 15.728 ( -0.882 -3.234 2.734) 4.326 15.879 ( 2.364 -10.836 -0.466) 11.100 15.994 ( -0.476 -9.482 -6.991) 11.790 16.028 ( -5.165 5.570 3.915) 8.546 16.224 ( -2.996 -11.020 4.227) 12.177 19.945 ( 3.274 4.306 -2.317) 5.885 20.004 ( 2.846 -1.705 -1.906) 3.826 20.048 ( 1.321 3.879 4.022) 5.742 20.118 ( -0.019 -3.184 7.263) 7.931 20.334 ( -4.130 4.682 -4.988) 7.992 20.391 ( -2.344 -1.020 -2.297) 3.437 20.525 ( -2.697 5.059 -0.748) 5.782 20.603 ( -1.686 -2.444 3.797) 4.820 20.957 ( 1.065 6.608 -0.930) 6.757 21.018 ( -0.327 7.919 1.488) 8.065 21.125 ( 2.243 -10.543 -5.380) 12.047 21.212 ( -0.975 -11.534 0.402) 11.582 22.031 ( -2.048 0.448 1.840) 2.789 22.038 ( -1.769 -0.292 2.199) 2.837 22.158 ( 2.846 -0.168 -2.730) 3.947 22.164 ( 3.170 -0.774 -2.655) 4.207 ======================= Grid point 157 (87/90) ======================= q-point: ( 0.43 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.701 13.036 4.451) 14.037 1.465 ( -2.325 10.435 -2.600) 11.003 1.496 ( -4.595 -4.165 6.210) 8.776 1.576 ( 1.387 6.927 -0.736) 7.103 1.614 ( -0.870 -3.708 1.956) 4.282 1.676 ( 1.412 -2.752 -1.114) 3.288 1.705 ( -1.052 4.694 -2.588) 5.462 1.778 ( -1.456 -0.140 -6.569) 6.730 1.798 ( 2.365 3.070 1.446) 4.137 1.868 ( 5.329 -3.013 0.502) 6.142 1.901 ( -1.608 2.296 6.259) 6.859 1.921 ( -3.769 1.485 4.434) 6.007 1.994 ( -0.496 -4.345 4.912) 6.577 2.049 ( -4.033 -7.465 -1.012) 8.544 2.186 ( -0.123 0.514 -1.587) 1.673 2.211 ( -0.651 -1.914 -4.988) 5.382 2.468 ( -1.174 5.518 0.822) 5.701 2.492 ( 0.171 4.525 -1.043) 4.647 2.569 ( 0.260 -3.498 0.636) 3.564 2.587 ( -0.615 -3.586 -0.736) 3.712 2.762 ( -0.194 2.381 1.167) 2.659 2.841 ( -0.254 -4.279 -2.891) 5.170 2.844 ( 0.345 1.380 -1.542) 2.098 2.896 ( 0.020 -3.092 -4.690) 5.618 3.137 ( -0.284 4.953 1.635) 5.224 3.183 ( 0.228 2.822 -1.252) 3.096 3.249 ( -0.218 -5.353 4.047) 6.714 3.278 ( 0.913 -3.266 2.816) 4.408 3.407 ( 4.175 1.727 -2.966) 5.405 3.439 ( 1.941 -2.566 -3.983) 5.120 3.446 ( -5.092 1.521 -2.077) 5.705 3.474 ( -2.739 -2.147 -5.038) 6.123 4.271 ( 2.110 9.220 8.362) 12.624 4.298 ( 1.208 3.698 5.065) 6.387 4.375 ( -1.266 -1.434 5.104) 5.450 4.419 ( 0.288 -2.375 1.461) 2.803 4.581 ( -0.620 8.771 7.120) 11.315 4.628 ( 0.355 7.062 2.791) 7.602 4.743 ( 0.056 -1.371 3.413) 3.678 4.759 ( -0.208 -4.491 2.851) 5.324 4.899 ( 1.280 5.654 -1.749) 6.055 4.967 ( 4.793 3.924 -5.858) 8.525 4.979 ( -3.532 -1.970 -2.624) 4.820 5.022 ( 1.178 -1.199 -4.403) 4.712 5.236 ( 1.366 2.898 -1.768) 3.659 5.283 ( 2.176 -1.767 -1.273) 3.079 5.358 ( 0.202 2.786 -4.597) 5.379 5.409 ( -0.548 -1.643 -5.541) 5.805 5.499 ( 8.543 1.773 2.079) 8.970 5.595 ( 1.518 -0.332 4.239) 4.515 5.642 ( -3.806 -6.034 5.129) 8.786 5.741 ( -11.377 -9.040 7.616) 16.406 6.015 ( -4.657 2.861 -1.490) 5.665 6.031 ( -0.923 1.454 -2.304) 2.877 6.065 ( 2.291 -0.688 -2.675) 3.589 6.074 ( -2.273 -1.854 -2.162) 3.644 6.965 ( 1.792 8.835 -0.930) 9.062 6.991 ( 6.403 6.213 -3.308) 9.516 7.031 ( -0.614 6.927 -2.262) 7.312 7.086 ( -5.354 2.225 -4.369) 7.260 7.190 ( 3.744 9.332 0.491) 10.067 7.290 ( -0.475 2.462 -3.873) 4.614 7.373 ( -1.624 -4.676 1.515) 5.177 7.417 ( 0.449 -9.129 -0.697) 9.167 7.648 ( -0.205 -0.207 4.632) 4.641 7.737 ( 2.937 -8.083 0.546) 8.617 7.741 ( 3.911 -6.622 2.691) 8.147 7.788 ( -3.025 -7.928 3.019) 9.006 8.584 ( 7.470 5.890 -0.618) 9.533 8.676 ( 5.677 -2.981 1.098) 6.506 8.735 ( -9.132 4.123 1.115) 10.082 8.805 ( -6.471 -2.524 2.034) 7.238 9.134 ( 1.562 3.320 -1.299) 3.892 9.146 ( -1.131 4.098 -0.637) 4.298 9.236 ( 0.201 -7.754 -0.622) 7.781 9.318 ( -0.067 -10.591 -3.119) 11.041 10.496 ( -2.007 2.295 0.087) 3.050 10.540 ( -3.021 -2.147 0.553) 3.747 10.572 ( 2.262 0.440 -5.600) 6.056 10.590 ( 2.882 -1.366 -4.420) 5.451 11.960 ( -0.505 3.695 5.565) 6.699 12.024 ( -0.501 -2.979 5.761) 6.505 12.110 ( 0.303 3.229 -0.192) 3.249 12.156 ( 0.242 -1.758 1.471) 2.306 12.609 ( 2.060 5.772 0.609) 6.159 12.721 ( 1.118 -3.926 0.395) 4.101 12.740 ( -0.717 6.232 -2.547) 6.770 12.876 ( -0.609 -5.894 -3.549) 6.907 13.984 ( -0.049 5.068 1.438) 5.269 14.005 ( -0.005 6.809 1.033) 6.887 14.058 ( 1.590 -2.388 0.690) 2.950 14.111 ( -1.925 -3.718 0.332) 4.200 14.485 ( 0.387 9.895 -3.898) 10.643 14.536 ( -0.858 8.010 -4.494) 9.225 14.594 ( 1.130 -1.486 -2.425) 3.060 14.674 ( -1.908 -3.710 -4.397) 6.061 15.421 ( 0.416 7.208 8.133) 10.876 15.546 ( 5.771 14.951 5.992) 17.110 15.626 ( -2.136 -2.908 4.857) 6.051 15.701 ( 0.025 8.871 -2.217) 9.144 15.869 ( 0.917 -12.796 -6.118) 14.213 15.962 ( -5.611 6.921 -1.602) 9.052 16.015 ( 2.986 -18.892 6.895) 20.332 16.206 ( -3.114 -13.949 -0.151) 14.293 19.971 ( 2.148 4.438 0.182) 4.934 20.036 ( 0.822 -1.741 1.410) 2.387 20.072 ( -0.541 3.520 -1.769) 3.976 20.145 ( -2.270 -3.337 -0.629) 4.085 20.278 ( 0.143 7.828 2.426) 8.196 20.410 ( 1.330 -5.158 5.843) 7.907 20.462 ( -1.505 8.093 -3.969) 9.138 20.614 ( -0.700 -6.652 -0.392) 6.701 20.966 ( -0.017 5.603 1.018) 5.695 21.017 ( -0.162 6.968 -0.743) 7.009 21.098 ( 1.176 -7.921 -1.885) 8.226 21.177 ( -0.941 -9.169 -2.858) 9.650 22.040 ( -1.274 0.727 2.923) 3.270 22.055 ( -1.187 -0.812 3.205) 3.513 22.144 ( 1.623 0.232 -3.852) 4.186 22.156 ( 1.884 -1.078 -3.619) 4.220 ======================= Grid point 158 (88/90) ======================= q-point: (-0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.402 13.698 6.355) 15.106 1.387 ( 0.661 13.314 -4.239) 13.988 1.534 ( -2.554 0.708 5.817) 6.392 1.588 ( 1.952 -0.203 -2.328) 3.045 1.647 ( -0.992 -2.351 2.132) 3.325 1.657 ( -1.189 0.531 -1.878) 2.285 1.676 ( 1.312 0.701 2.986) 3.336 1.700 ( 1.815 -1.638 -4.621) 5.228 1.814 ( -5.880 2.873 0.385) 6.556 1.879 ( -2.059 -0.228 -0.632) 2.166 1.925 ( 0.404 0.000 1.137) 1.207 2.007 ( 5.424 -6.057 0.462) 8.144 2.035 ( -1.116 -0.306 6.323) 6.428 2.063 ( 1.311 -0.819 2.462) 2.907 2.135 ( -0.023 -1.756 -4.167) 4.522 2.151 ( 1.639 -2.491 -3.653) 4.715 2.471 ( -0.216 5.368 1.091) 5.482 2.490 ( 1.594 4.937 -1.153) 5.315 2.577 ( 0.152 -3.846 0.428) 3.873 2.580 ( 0.420 -3.885 -0.387) 3.927 2.777 ( -2.553 -0.165 3.307) 4.181 2.809 ( -0.506 -2.413 -0.674) 2.556 2.833 ( 0.495 -0.913 -0.998) 1.440 2.837 ( 0.140 -1.009 -2.023) 2.265 3.165 ( 1.041 5.106 0.557) 5.241 3.169 ( 0.886 4.911 -0.226) 4.995 3.286 ( -4.724 -6.106 0.931) 7.776 3.318 ( -1.382 -1.896 5.618) 6.088 3.356 ( 0.861 -5.233 -4.378) 6.877 3.379 ( -4.244 -1.739 2.818) 5.383 3.424 ( 4.742 3.040 -4.713) 7.345 3.473 ( 6.144 -0.057 -2.503) 6.634 4.356 ( -2.225 4.322 1.386) 5.055 4.361 ( -1.872 3.809 3.326) 5.392 4.389 ( 0.193 4.129 -2.490) 4.825 4.399 ( 1.979 2.912 0.873) 3.628 4.656 ( -3.051 6.364 3.051) 7.688 4.699 ( 2.508 7.531 3.626) 8.726 4.752 ( -7.231 -0.973 2.651) 7.763 4.804 ( -2.108 0.087 4.477) 4.949 4.848 ( -5.550 0.843 -3.941) 6.859 4.890 ( -4.608 -3.390 4.253) 7.128 4.943 ( 2.610 1.723 -5.566) 6.384 4.961 ( 1.716 0.405 -3.104) 3.570 5.255 ( -3.120 1.641 4.901) 6.037 5.282 ( -4.726 -0.904 0.423) 4.830 5.284 ( -2.767 -0.148 -3.695) 4.618 5.335 ( 0.931 -3.005 -0.907) 3.274 5.512 ( -11.651 1.894 1.711) 11.927 5.623 ( -8.945 -7.598 2.091) 11.921 5.682 ( 6.232 3.462 0.580) 7.153 5.815 ( 9.626 -9.296 1.294) 13.445 5.929 ( -1.159 5.326 2.170) 5.866 6.016 ( 1.045 -3.616 1.381) 4.009 6.083 ( 9.334 1.385 -4.831) 10.601 6.102 ( 7.040 -0.281 -2.738) 7.559 6.964 ( -1.768 7.684 -0.838) 7.930 6.975 ( -3.025 7.552 -1.878) 8.350 7.027 ( 4.783 3.283 -1.146) 5.913 7.034 ( 4.995 2.926 -0.912) 5.860 7.210 ( -3.952 7.006 -0.926) 8.097 7.242 ( 1.055 7.342 0.089) 7.418 7.392 ( 0.393 -6.781 1.887) 7.049 7.404 ( 0.699 -9.477 -1.760) 9.665 7.709 ( 0.024 -2.186 3.153) 3.837 7.726 ( -0.240 -3.169 -2.800) 4.235 7.759 ( -5.279 -6.342 1.221) 8.341 7.823 ( 2.845 -7.543 -0.185) 8.063 8.584 ( -10.191 5.345 -0.070) 11.508 8.686 ( -9.218 -4.111 0.722) 10.119 8.743 ( 11.351 4.892 0.097) 12.361 8.826 ( 9.407 -2.975 -0.096) 9.867 9.118 ( -1.558 4.516 0.113) 4.778 9.145 ( 1.916 2.347 -0.776) 3.127 9.257 ( 0.635 -8.657 2.036) 8.915 9.269 ( 0.460 -9.168 -3.126) 9.698 10.485 ( -1.539 1.464 2.219) 3.071 10.515 ( -1.496 -1.392 0.834) 2.207 10.547 ( 2.882 1.191 -2.694) 4.121 10.584 ( 4.127 -2.307 -3.388) 5.817 12.039 ( -0.078 4.081 5.461) 6.818 12.069 ( 0.310 3.378 -3.920) 5.184 12.108 ( -0.208 -2.227 4.731) 5.233 12.136 ( -0.055 -2.569 -4.102) 4.840 12.642 ( -3.999 6.193 0.780) 7.413 12.691 ( 2.248 6.196 -0.855) 6.646 12.759 ( -3.543 -4.864 2.079) 6.367 12.812 ( 2.186 -5.397 -2.362) 6.284 14.005 ( -0.476 5.246 -0.463) 5.288 14.006 ( 0.227 6.378 1.054) 6.468 14.072 ( -2.404 -1.858 -0.342) 3.057 14.105 ( 2.544 -3.386 0.753) 4.302 14.467 ( -1.117 9.051 -1.917) 9.319 14.482 ( 1.798 9.555 0.315) 9.728 14.589 ( -2.298 -3.303 -1.659) 4.352 14.621 ( 2.894 -3.737 0.351) 4.740 15.518 ( -2.299 8.328 6.256) 10.667 15.573 ( 0.810 7.362 -5.967) 9.511 15.642 ( -5.211 7.921 2.915) 9.919 15.716 ( 3.304 -0.507 0.416) 3.368 15.803 ( -6.892 -5.615 -0.525) 8.906 15.945 ( 11.083 5.251 -1.565) 12.363 16.086 ( -6.889 -18.680 2.544) 20.072 16.197 ( 7.063 -14.504 -1.131) 16.172 19.953 ( -6.596 4.633 1.811) 8.261 20.029 ( -6.301 -2.866 2.325) 7.302 20.070 ( 6.657 4.635 -2.382) 8.454 20.152 ( 7.589 -3.492 -2.310) 8.667 20.344 ( -1.592 9.254 3.600) 10.057 20.386 ( 1.490 8.998 -3.623) 9.814 20.517 ( -1.108 -7.994 6.663) 10.465 20.556 ( -0.313 -8.002 -5.696) 9.827 20.974 ( -1.898 5.030 1.483) 5.577 21.014 ( 2.526 6.327 -1.353) 6.945 21.081 ( -4.498 -5.888 1.317) 7.525 21.156 ( 4.490 -7.996 -2.111) 9.410 22.069 ( -1.221 0.593 3.612) 3.859 22.084 ( -1.446 -0.995 3.524) 3.937 22.107 ( 0.970 0.645 -3.802) 3.976 22.125 ( 1.029 -1.103 -3.760) 4.051 ======================= Grid point 159 (89/90) ======================= q-point: (-0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.312 13.023 -2.283) 13.422 1.476 ( 2.349 12.498 6.027) 14.073 1.543 ( -2.462 6.667 0.820) 7.154 1.580 ( 3.277 -4.757 -2.949) 6.486 1.626 ( -0.926 -0.584 -1.008) 1.488 1.657 ( -0.390 -4.339 -0.104) 4.358 1.706 ( -0.230 1.713 1.767) 2.472 1.729 ( -1.632 2.397 0.810) 3.011 1.760 ( -4.336 -3.142 3.917) 6.635 1.822 ( 1.024 -1.170 4.484) 4.746 1.949 ( -0.557 0.617 -8.322) 8.363 2.005 ( 2.052 2.345 -1.719) 3.559 2.024 ( 1.658 -3.106 -4.051) 5.367 2.088 ( 1.563 -3.965 -0.112) 4.263 2.187 ( 1.435 0.729 3.704) 4.038 2.207 ( 3.859 -0.862 5.415) 6.705 2.485 ( 0.207 4.265 0.781) 4.341 2.508 ( 3.109 4.346 -1.117) 5.459 2.571 ( -0.263 -2.344 -1.299) 2.693 2.596 ( 1.306 -3.617 0.798) 3.928 2.752 ( -1.761 0.028 -0.803) 1.936 2.815 ( -1.296 -4.285 2.330) 5.047 2.839 ( -0.170 -0.319 1.151) 1.207 2.862 ( -0.745 -1.926 4.756) 5.185 3.163 ( 1.361 2.456 -1.939) 3.412 3.179 ( -1.468 3.805 -2.753) 4.921 3.235 ( -1.651 2.641 0.674) 3.187 3.288 ( -0.890 0.647 -0.207) 1.119 3.327 ( -3.360 -1.738 -1.598) 4.107 3.429 ( 4.233 -7.544 3.281) 9.252 3.492 ( 3.171 0.584 4.866) 5.837 3.535 ( 5.374 -1.809 -0.235) 5.675 4.281 ( -2.008 5.899 -6.883) 9.285 4.294 ( -2.858 3.213 -4.532) 6.247 4.407 ( -0.569 2.134 -0.641) 2.300 4.411 ( -0.851 1.529 -2.014) 2.668 4.596 ( -5.561 3.922 -0.569) 6.829 4.623 ( -6.595 1.558 -2.667) 7.282 4.657 ( -9.429 3.193 -0.432) 9.965 4.777 ( 0.573 -0.487 -0.814) 1.108 4.817 ( -6.256 -2.415 4.754) 8.220 4.857 ( -1.212 3.675 1.807) 4.271 4.954 ( -2.383 1.237 2.856) 3.920 5.019 ( 1.671 -0.159 4.954) 5.231 5.188 ( -4.597 0.983 0.918) 4.790 5.227 ( -4.539 -2.841 1.696) 5.617 5.291 ( -3.114 1.803 6.590) 7.509 5.352 ( -4.149 -3.636 5.337) 7.676 5.427 ( -0.328 3.492 0.519) 3.546 5.540 ( -3.194 -6.420 -0.537) 7.191 5.713 ( -2.793 5.764 2.530) 6.887 5.829 ( -7.281 -2.853 6.870) 10.409 6.066 ( 16.007 -1.766 -8.951) 18.424 6.102 ( 10.783 -3.421 -4.409) 12.141 6.161 ( 7.330 0.802 -1.998) 7.640 6.169 ( 5.871 0.352 -1.439) 6.055 6.926 ( -1.343 9.189 -1.052) 9.346 6.953 ( 0.674 10.167 0.175) 10.191 7.050 ( 0.943 -1.152 -2.860) 3.224 7.109 ( -0.656 1.593 0.579) 1.818 7.165 ( 2.183 5.912 2.270) 6.699 7.273 ( 0.291 8.863 3.388) 9.493 7.395 ( 0.487 -3.542 -0.769) 3.657 7.414 ( 0.480 -10.098 0.145) 10.111 7.655 ( -5.340 -1.419 -3.510) 6.545 7.677 ( -3.274 -0.240 -1.931) 3.808 7.724 ( 0.063 -10.426 -0.580) 10.443 7.825 ( 0.227 -9.060 -1.521) 9.189 8.483 ( -4.590 6.166 2.891) 8.213 8.584 ( -5.726 -3.297 2.162) 6.952 8.873 ( 7.333 3.629 -1.777) 8.372 8.928 ( 7.651 -1.376 -3.234) 8.419 9.104 ( -1.496 6.775 0.826) 6.987 9.165 ( 1.377 -0.081 -0.576) 1.494 9.243 ( 1.084 -7.926 -0.719) 8.033 9.313 ( 1.270 -11.003 1.841) 11.228 10.508 ( -1.030 0.775 3.298) 3.541 10.518 ( -1.132 -0.175 1.929) 2.243 10.574 ( 3.438 1.185 -1.074) 3.792 10.611 ( 4.716 -2.404 -2.486) 5.848 12.004 ( 1.281 3.818 -5.267) 6.631 12.065 ( 0.853 -2.394 -4.935) 5.551 12.097 ( -0.605 3.072 1.500) 3.472 12.147 ( -1.040 -1.949 0.997) 2.424 12.565 ( -3.970 6.730 -0.092) 7.814 12.690 ( -3.170 -5.014 -0.210) 5.936 12.738 ( 0.466 6.314 2.052) 6.655 12.866 ( 0.497 -5.977 3.167) 6.783 13.991 ( -0.044 3.621 -0.714) 3.691 14.009 ( -0.160 7.934 -0.672) 7.964 14.037 ( -1.569 -0.996 -0.217) 1.871 14.142 ( 1.877 -5.374 -0.709) 5.736 14.463 ( 0.099 8.129 2.963) 8.653 14.532 ( 1.110 9.804 2.629) 10.211 14.565 ( -0.950 -1.175 2.645) 3.046 14.688 ( 2.640 -4.009 2.639) 5.478 15.431 ( -4.952 16.750 -5.990) 18.465 15.506 ( -2.491 12.084 -5.773) 13.622 15.648 ( 0.168 -0.780 1.945) 2.103 15.684 ( -1.563 -3.711 -1.397) 4.262 15.826 ( 0.414 -11.086 7.185) 13.217 15.977 ( -5.242 -21.629 -3.664) 22.555 16.092 ( 10.158 7.188 -2.301) 12.655 16.280 ( 5.410 -10.336 -1.681) 11.787 19.896 ( -5.040 4.369 2.363) 7.076 19.963 ( -5.752 -2.587 1.910) 6.589 20.144 ( 5.713 5.111 -3.696) 8.510 20.230 ( 6.046 -3.421 -3.337) 7.706 20.293 ( 0.878 7.240 -1.248) 7.399 20.419 ( -1.737 -4.303 -5.964) 7.557 20.458 ( 1.095 6.542 5.042) 8.332 20.600 ( -1.088 -6.657 4.530) 8.126 20.959 ( -0.884 3.826 -0.416) 3.949 21.037 ( 0.861 4.955 -0.063) 5.029 21.044 ( -2.414 -2.631 1.912) 4.050 21.209 ( 3.419 -9.875 0.138) 10.451 22.077 ( 1.467 0.663 -2.875) 3.295 22.087 ( 0.331 -0.281 -1.662) 1.718 22.098 ( -1.684 -0.098 2.646) 3.138 22.107 ( -1.888 -1.001 2.540) 3.319 ======================= Grid point 160 (90/90) ======================= q-point: (-0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 3.844 10.727 -0.355) 11.400 1.508 ( -3.207 4.945 1.395) 6.056 1.554 ( -1.084 5.458 2.066) 5.936 1.572 ( -0.398 0.814 -1.260) 1.552 1.615 ( 2.955 -5.606 -3.146) 7.075 1.645 ( -0.009 -3.517 -1.542) 3.840 1.693 ( -0.277 5.453 3.946) 6.737 1.760 ( -2.059 3.318 0.905) 4.008 1.785 ( 0.528 3.737 3.013) 4.829 1.842 ( -0.710 -1.686 -3.174) 3.663 1.944 ( -0.619 -2.462 3.112) 4.016 1.966 ( 1.482 -3.594 6.376) 7.468 2.046 ( 4.045 1.305 -4.073) 5.887 2.083 ( -0.152 -2.885 -1.879) 3.446 2.248 ( 2.811 3.380 -1.475) 4.636 2.293 ( 0.683 0.319 2.225) 2.349 2.505 ( 0.513 3.199 1.545) 3.589 2.533 ( 0.338 2.410 -0.154) 2.439 2.558 ( 1.899 2.181 -0.329) 2.910 2.624 ( 0.954 -3.899 0.297) 4.025 2.733 ( 0.091 0.238 -0.022) 0.256 2.819 ( -2.393 -7.091 2.779) 7.984 2.838 ( -1.272 3.641 -0.742) 3.927 2.914 ( -1.483 -3.211 4.141) 5.446 3.103 ( -3.935 2.413 -0.560) 4.650 3.154 ( 0.501 -2.633 -1.500) 3.071 3.194 ( -0.306 0.609 -3.337) 3.405 3.234 ( -0.187 -2.880 -5.034) 5.802 3.357 ( -0.383 8.795 6.490) 10.937 3.528 ( 3.550 -3.305 2.823) 5.612 3.572 ( 1.879 2.953 1.036) 3.650 3.652 ( 4.272 -7.197 6.295) 10.472 4.127 ( -1.592 7.201 -10.604) 12.917 4.181 ( -3.234 0.297 -4.903) 5.881 4.284 ( -3.738 -0.236 -7.199) 8.115 4.332 ( -1.622 -2.948 -8.339) 8.992 4.528 ( -4.038 4.181 1.796) 6.084 4.565 ( -3.911 0.321 3.736) 5.419 4.596 ( -3.959 5.378 4.695) 8.163 4.738 ( -0.339 -5.229 -2.856) 5.968 4.872 ( -1.655 5.610 6.821) 8.986 4.886 ( -0.171 4.463 7.033) 8.331 4.959 ( -4.604 -0.779 6.073) 7.660 5.074 ( 0.992 -5.694 1.314) 5.927 5.175 ( -2.608 2.348 3.156) 4.720 5.193 ( -2.509 0.106 0.840) 2.648 5.332 ( -2.780 1.535 4.752) 5.715 5.377 ( -2.970 -2.032 2.858) 4.595 5.467 ( 0.203 3.878 5.810) 6.989 5.546 ( 0.657 -3.266 4.671) 5.738 5.721 ( -1.286 5.455 2.724) 6.231 5.845 ( -3.894 -4.753 6.627) 9.037 6.088 ( 7.581 1.149 -11.051) 13.451 6.147 ( 5.501 -3.347 -5.873) 8.715 6.204 ( 4.138 -0.130 -3.874) 5.670 6.215 ( 5.284 -1.435 -4.494) 7.084 6.883 ( -0.749 9.274 -3.337) 9.885 6.938 ( -2.330 13.430 -3.746) 14.136 7.012 ( 1.495 -1.979 -0.092) 2.482 7.096 ( 0.742 6.084 -1.091) 6.225 7.212 ( -1.660 -3.443 0.213) 3.829 7.291 ( -3.418 4.238 -1.227) 5.581 7.407 ( -0.558 -10.998 -0.295) 11.016 7.425 ( 4.089 -4.333 0.025) 5.958 7.557 ( -1.700 4.839 0.138) 5.131 7.602 ( -2.351 7.390 -1.328) 7.868 7.730 ( 0.117 -11.897 1.594) 12.004 7.829 ( 1.795 -12.725 -0.129) 12.851 8.548 ( 1.447 5.092 8.823) 10.289 8.601 ( -1.646 -0.197 7.431) 7.614 8.907 ( 3.120 3.077 -3.613) 5.679 8.954 ( 4.858 -0.393 -6.032) 7.755 9.095 ( -1.689 6.954 1.308) 7.275 9.172 ( 2.293 -2.302 -1.322) 3.507 9.253 ( 0.098 -7.340 -0.436) 7.354 9.316 ( -1.045 -10.924 -1.846) 11.128 10.514 ( -1.753 1.184 0.826) 2.271 10.535 ( -2.532 -0.995 3.605) 4.516 10.586 ( 2.169 2.115 -3.290) 4.472 10.631 ( 3.377 -2.483 -3.407) 5.402 11.982 ( 2.752 3.226 -2.250) 4.800 12.033 ( 2.297 -2.121 -2.804) 4.200 12.074 ( -1.241 2.066 -2.282) 3.319 12.109 ( -1.489 -1.461 -2.884) 3.559 12.558 ( -1.492 7.449 4.520) 8.840 12.695 ( -1.197 -5.430 5.110) 7.551 12.746 ( -0.833 6.994 -0.367) 7.053 12.890 ( -0.672 -6.681 0.515) 6.734 13.988 ( 0.481 3.201 -0.246) 3.246 13.995 ( -0.017 8.234 -0.764) 8.269 14.026 ( -0.483 -0.954 0.800) 1.336 14.132 ( 0.194 -5.822 -2.615) 6.385 14.536 ( 0.531 7.972 5.976) 9.977 14.585 ( 0.502 9.776 3.642) 10.445 14.619 ( 0.007 0.237 5.403) 5.408 14.747 ( 0.789 -3.866 1.816) 4.343 15.283 ( -3.079 22.437 -5.924) 23.409 15.384 ( -1.228 9.939 -7.880) 12.743 15.599 ( -0.659 -16.127 -2.419) 16.320 15.748 ( 1.702 -0.059 2.813) 3.289 15.840 ( -3.186 -16.872 -2.258) 17.318 15.957 ( 0.200 -10.839 8.009) 13.478 16.138 ( 5.065 6.803 -7.008) 11.002 16.291 ( 2.513 -8.295 -4.885) 9.949 19.874 ( -3.538 4.066 3.342) 6.341 19.931 ( -3.761 -1.742 3.385) 5.352 20.091 ( 1.170 4.825 -7.925) 9.351 20.174 ( 0.841 -3.456 -9.579) 10.218 20.369 ( 4.023 4.250 4.033) 7.107 20.420 ( 3.177 -0.837 2.745) 4.282 20.540 ( 0.950 4.825 3.952) 6.309 20.615 ( -1.382 -2.356 0.334) 2.751 20.942 ( -0.491 4.308 -0.345) 4.349 21.039 ( 0.838 7.951 -2.237) 8.302 21.059 ( -2.249 -7.972 5.684) 10.046 21.237 ( 1.510 -11.825 -1.389) 12.002 22.075 ( 2.622 0.259 -1.667) 3.118 22.077 ( 1.757 0.065 -1.525) 2.327 22.101 ( -3.016 -0.212 2.374) 3.844 22.104 ( -2.815 -0.567 1.841) 3.411 =================== 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 3/37800 10.0 35.517 51.460 62.891 0.000 -35.219 0.000 3/37800 20.0 10.918 23.229 21.038 0.000 -9.013 0.000 3/37800 30.0 5.790 12.783 11.216 0.000 -4.297 0.000 3/37800 40.0 3.797 8.362 7.386 0.000 -2.666 0.000 3/37800 50.0 2.781 6.096 5.426 0.000 -1.887 0.000 3/37800 60.0 2.182 4.766 4.261 0.000 -1.444 0.000 3/37800 70.0 1.794 3.908 3.500 0.000 -1.163 0.000 3/37800 80.0 1.525 3.319 2.968 0.000 -0.971 0.000 3/37800 90.0 1.330 2.894 2.578 0.000 -0.833 0.000 3/37800 100.0 1.181 2.574 2.281 0.000 -0.729 0.000 3/37800 110.0 1.065 2.326 2.048 0.000 -0.648 0.000 3/37800 120.0 0.971 2.129 1.861 0.000 -0.583 0.000 3/37800 130.0 0.894 1.968 1.706 0.000 -0.530 0.000 3/37800 140.0 0.830 1.833 1.578 0.000 -0.487 0.000 3/37800 150.0 0.775 1.720 1.469 0.000 -0.449 0.000 3/37800 160.0 0.728 1.621 1.375 0.000 -0.418 0.000 3/37800 170.0 0.686 1.536 1.293 0.000 -0.390 0.000 3/37800 180.0 0.650 1.460 1.222 0.000 -0.366 0.000 3/37800 190.0 0.617 1.393 1.159 0.000 -0.345 0.000 3/37800 200.0 0.588 1.332 1.102 0.000 -0.326 0.000 3/37800 210.0 0.562 1.277 1.052 0.000 -0.310 0.000 3/37800 220.0 0.538 1.227 1.006 0.000 -0.295 0.000 3/37800 230.0 0.517 1.180 0.965 0.000 -0.281 0.000 3/37800 240.0 0.497 1.138 0.927 0.000 -0.268 0.000 3/37800 250.0 0.478 1.099 0.892 0.000 -0.257 0.000 3/37800 260.0 0.462 1.062 0.860 0.000 -0.247 0.000 3/37800 270.0 0.446 1.028 0.830 0.000 -0.237 0.000 3/37800 280.0 0.431 0.996 0.802 0.000 -0.228 0.000 3/37800 290.0 0.417 0.966 0.777 0.000 -0.220 0.000 3/37800 300.0 0.405 0.938 0.753 0.000 -0.212 0.000 3/37800 310.0 0.393 0.911 0.730 0.000 -0.205 0.000 3/37800 320.0 0.381 0.886 0.709 0.000 -0.199 0.000 3/37800 330.0 0.370 0.862 0.689 0.000 -0.193 0.000 3/37800 340.0 0.360 0.840 0.670 0.000 -0.187 0.000 3/37800 350.0 0.351 0.818 0.652 0.000 -0.181 0.000 3/37800 360.0 0.342 0.798 0.636 0.000 -0.176 0.000 3/37800 370.0 0.333 0.779 0.620 0.000 -0.171 0.000 3/37800 380.0 0.325 0.760 0.604 0.000 -0.167 0.000 3/37800 390.0 0.317 0.743 0.590 0.000 -0.162 0.000 3/37800 400.0 0.310 0.726 0.576 0.000 -0.158 0.000 3/37800 410.0 0.303 0.710 0.563 0.000 -0.154 0.000 3/37800 420.0 0.296 0.694 0.551 0.000 -0.151 0.000 3/37800 430.0 0.290 0.680 0.539 0.000 -0.147 0.000 3/37800 440.0 0.283 0.666 0.527 0.000 -0.144 0.000 3/37800 450.0 0.277 0.652 0.516 0.000 -0.140 0.000 3/37800 460.0 0.272 0.639 0.506 0.000 -0.137 0.000 3/37800 470.0 0.266 0.626 0.495 0.000 -0.134 0.000 3/37800 480.0 0.261 0.614 0.486 0.000 -0.131 0.000 3/37800 490.0 0.256 0.603 0.476 0.000 -0.129 0.000 3/37800 500.0 0.251 0.591 0.467 0.000 -0.126 0.000 3/37800 510.0 0.246 0.581 0.459 0.000 -0.124 0.000 3/37800 520.0 0.242 0.570 0.450 0.000 -0.121 0.000 3/37800 530.0 0.238 0.560 0.442 0.000 -0.119 0.000 3/37800 540.0 0.233 0.550 0.434 0.000 -0.117 0.000 3/37800 550.0 0.229 0.541 0.427 0.000 -0.115 0.000 3/37800 560.0 0.225 0.532 0.420 0.000 -0.113 0.000 3/37800 570.0 0.222 0.523 0.413 0.000 -0.111 0.000 3/37800 580.0 0.218 0.515 0.406 0.000 -0.109 0.000 3/37800 590.0 0.214 0.506 0.399 0.000 -0.107 0.000 3/37800 600.0 0.211 0.498 0.393 0.000 -0.105 0.000 3/37800 610.0 0.208 0.491 0.387 0.000 -0.103 0.000 3/37800 620.0 0.204 0.483 0.381 0.000 -0.102 0.000 3/37800 630.0 0.201 0.476 0.375 0.000 -0.100 0.000 3/37800 640.0 0.198 0.469 0.369 0.000 -0.098 0.000 3/37800 650.0 0.195 0.462 0.364 0.000 -0.097 0.000 3/37800 660.0 0.192 0.455 0.359 0.000 -0.095 0.000 3/37800 670.0 0.190 0.449 0.353 0.000 -0.094 0.000 3/37800 680.0 0.187 0.442 0.348 0.000 -0.093 0.000 3/37800 690.0 0.184 0.436 0.344 0.000 -0.091 0.000 3/37800 700.0 0.182 0.430 0.339 0.000 -0.090 0.000 3/37800 710.0 0.179 0.424 0.334 0.000 -0.089 0.000 3/37800 720.0 0.177 0.419 0.330 0.000 -0.087 0.000 3/37800 730.0 0.175 0.413 0.325 0.000 -0.086 0.000 3/37800 740.0 0.172 0.408 0.321 0.000 -0.085 0.000 3/37800 750.0 0.170 0.403 0.317 0.000 -0.084 0.000 3/37800 760.0 0.168 0.398 0.313 0.000 -0.083 0.000 3/37800 770.0 0.166 0.393 0.309 0.000 -0.082 0.000 3/37800 780.0 0.164 0.388 0.305 0.000 -0.081 0.000 3/37800 790.0 0.162 0.383 0.301 0.000 -0.080 0.000 3/37800 800.0 0.160 0.378 0.298 0.000 -0.079 0.000 3/37800 810.0 0.158 0.374 0.294 0.000 -0.078 0.000 3/37800 820.0 0.156 0.369 0.291 0.000 -0.077 0.000 3/37800 830.0 0.154 0.365 0.287 0.000 -0.076 0.000 3/37800 840.0 0.152 0.361 0.284 0.000 -0.075 0.000 3/37800 850.0 0.150 0.357 0.281 0.000 -0.074 0.000 3/37800 860.0 0.149 0.353 0.277 0.000 -0.073 0.000 3/37800 870.0 0.147 0.349 0.274 0.000 -0.072 0.000 3/37800 880.0 0.145 0.345 0.271 0.000 -0.071 0.000 3/37800 890.0 0.144 0.341 0.268 0.000 -0.071 0.000 3/37800 900.0 0.142 0.337 0.265 0.000 -0.070 0.000 3/37800 910.0 0.141 0.334 0.263 0.000 -0.069 0.000 3/37800 920.0 0.139 0.330 0.260 0.000 -0.068 0.000 3/37800 930.0 0.138 0.327 0.257 0.000 -0.068 0.000 3/37800 940.0 0.136 0.323 0.254 0.000 -0.067 0.000 3/37800 950.0 0.135 0.320 0.252 0.000 -0.066 0.000 3/37800 960.0 0.134 0.317 0.249 0.000 -0.065 0.000 3/37800 970.0 0.132 0.314 0.247 0.000 -0.065 0.000 3/37800 980.0 0.131 0.311 0.244 0.000 -0.064 0.000 3/37800 990.0 0.130 0.308 0.242 0.000 -0.064 0.000 3/37800 1000.0 0.128 0.305 0.239 0.000 -0.063 0.000 3/37800 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:47:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|