# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/de8b6ab4-2556-4ffc-afcb-58cc55d2dbcb/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for NdH3(CO2)3 / R3m (160) / materials id 23837](https://mdr.nims.go.jp/datasets/eaa4787d-8256-461a-ae82-19485d669f64) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 05:39:33]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 3] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)Number of symmetry operations in supercell: 54------------------------------ primitive cell ------------------------------Lattice vectors: a 5.285624365645793 3.051656650340837 1.344027476666665 b -5.285624365645782 3.051656650340837 1.344027476666665 c 0.000000000000005 -6.103313300681683 1.344027476666665Atomic positions (fractional): *1 H 0.23082643026002 0.23082643026002 0.71393400662603 1.008 2 H 0.71393400662603 0.23082643026002 0.23082643026002 1.008 3 H 0.23082643026002 0.71393400662603 0.23082643026002 1.008 *4 C 0.47413960739054 0.01395375336523 0.47413960739054 12.011 5 C 0.47413960739054 0.47413960739054 0.01395375336523 12.011 6 C 0.01395375336522 0.47413960739054 0.47413960739054 12.011 *7 O 0.75035613812646 0.75035613812646 0.14991922514245 15.999 *8 O 0.45344765283299 0.19998847659872 0.45344765283299 15.999 9 O 0.19998847659872 0.45344765283299 0.45344765283299 15.999 10 O 0.75035613812646 0.14991922514245 0.75035613812646 15.999 11 O 0.14991922514245 0.75035613812646 0.75035613812646 15.999 12 O 0.45344765283299 0.45344765283299 0.19998847659872 15.999 *13 Nd 0.86456483438087 0.86456483438087 0.86456483438087 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.571248731291575 0.000000000000000 0.000000000000000 b -5.285624365645788 9.154969951022521 0.000000000000000 c 0.000000000000000 0.000000000000000 4.032082430000000Atomic positions (fractional): *1 H 0.50563080787799 0.01126161575599 0.72519562238202 1.008 > 1 2 H 0.98873838424401 0.49436919212200 0.72519562238202 1.008 > 2 3 H 0.17229747454466 0.82770252545534 0.05852895571535 1.008 > 3 4 H 0.17229747454466 0.34459494908932 0.05852895571535 1.008 > 1 5 H 0.65540505091068 0.82770252545534 0.05852895571535 1.008 > 2 6 H 0.83896414121133 0.16103585878867 0.39186228904869 1.008 > 3 7 H 0.83896414121133 0.67792828242266 0.39186228904869 1.008 > 1 8 H 0.32207171757734 0.16103585878867 0.39186228904869 1.008 > 2 9 H 0.50563080787799 0.49436919212200 0.72519562238202 1.008 > 3 *10 C 0.15339528467510 0.84660471532490 0.32074432271544 12.011 > 4 11 C 0.48672861800844 0.97345723601688 0.98741098938210 12.011 > 5 12 C 0.02654276398312 0.51327138199156 0.98741098938210 12.011 > 6 13 C 0.82006195134177 0.17993804865823 0.65407765604877 12.011 > 4 14 C 0.15339528467510 0.30679056935021 0.32074432271544 12.011 > 5 15 C 0.69320943064979 0.84660471532490 0.32074432271544 12.011 > 6 16 C 0.48672861800844 0.51327138199156 0.98741098938210 12.011 > 4 17 C 0.82006195134177 0.64012390268354 0.65407765604877 12.011 > 5 18 C 0.35987609731646 0.17993804865823 0.65407765604877 12.011 > 6 *19 O 0.86681230432801 0.73362460865601 0.88354383379846 15.999 > 7 *20 O 0.08448639207809 0.91551360792191 0.36896126075490 15.999 > 8 21 O 0.49769388251049 0.24884694125524 0.70229459408823 15.999 > 9 22 O 0.20014563766134 0.79985436233866 0.55021050046512 15.999 > 10 23 O 0.26637539134399 0.13318769567200 0.88354383379846 15.999 > 11 24 O 0.75115305874476 0.50230611748951 0.70229459408823 15.999 > 12 25 O 0.53347897099467 0.06695794198934 0.21687716713179 15.999 > 7 26 O 0.75115305874476 0.24884694125524 0.70229459408823 15.999 > 8 27 O 0.16436054917715 0.58218027458858 0.03562792742157 15.999 > 9 28 O 0.86681230432801 0.13318769567200 0.88354383379845 15.999 > 10 29 O 0.93304205801066 0.46652102900533 0.21687716713179 15.999 > 11 30 O 0.41781972541142 0.83563945082285 0.03562792742157 15.999 > 12 31 O 0.20014563766134 0.40029127532268 0.55021050046512 15.999 > 7 32 O 0.41781972541142 0.58218027458858 0.03562792742157 15.999 > 8 33 O 0.83102721584382 0.91551360792191 0.36896126075490 15.999 > 9 34 O 0.53347897099467 0.46652102900533 0.21687716713179 15.999 > 10 35 O 0.59970872467732 0.79985436233866 0.55021050046512 15.999 > 11 36 O 0.08448639207809 0.16897278415618 0.36896126075490 15.999 > 12 *37 Nd 0.00000000000000 0.00000000000000 0.86456483438086 144.242 > 13 38 Nd 0.66666666666667 0.33333333333333 0.19789816771420 144.242 > 13 39 Nd 0.33333333333333 0.66666666666667 0.53123150104753 144.242 > 13-------------------------------- super cell --------------------------------Lattice vectors: a 10.571248731291575 0.000000000000000 0.000000000000000 b -5.285624365645788 9.154969951022521 0.000000000000000 c 0.000000000000000 0.000000000000000 12.096247290000001Atomic positions (fractional): *1 H 0.50563080787799 0.01126161575599 0.24173187412734 1.008 > 1 2 H 0.50563080787799 0.01126161575599 0.57506520746067 1.008 > 1 3 H 0.50563080787799 0.01126161575599 0.90839854079401 1.008 > 1 4 H 0.98873838424401 0.49436919212200 0.24173187412734 1.008 > 2 5 H 0.98873838424401 0.49436919212200 0.57506520746067 1.008 > 2 6 H 0.98873838424401 0.49436919212200 0.90839854079401 1.008 > 2 7 H 0.17229747454466 0.82770252545534 0.01950965190512 1.008 > 3 8 H 0.17229747454466 0.82770252545534 0.35284298523845 1.008 > 3 9 H 0.17229747454466 0.82770252545534 0.68617631857179 1.008 > 3 10 H 0.17229747454466 0.34459494908932 0.01950965190512 1.008 > 1 11 H 0.17229747454466 0.34459494908932 0.35284298523845 1.008 > 1 12 H 0.17229747454466 0.34459494908932 0.68617631857179 1.008 > 1 13 H 0.65540505091068 0.82770252545534 0.01950965190512 1.008 > 2 14 H 0.65540505091068 0.82770252545534 0.35284298523845 1.008 > 2 15 H 0.65540505091068 0.82770252545534 0.68617631857179 1.008 > 2 16 H 0.83896414121133 0.16103585878867 0.13062076301623 1.008 > 3 17 H 0.83896414121133 0.16103585878867 0.46395409634956 1.008 > 3 18 H 0.83896414121133 0.16103585878867 0.79728742968290 1.008 > 3 19 H 0.83896414121133 0.67792828242266 0.13062076301623 1.008 > 1 20 H 0.83896414121133 0.67792828242266 0.46395409634956 1.008 > 1 21 H 0.83896414121133 0.67792828242266 0.79728742968290 1.008 > 1 22 H 0.32207171757734 0.16103585878867 0.13062076301623 1.008 > 2 23 H 0.32207171757734 0.16103585878867 0.46395409634956 1.008 > 2 24 H 0.32207171757734 0.16103585878867 0.79728742968290 1.008 > 2 25 H 0.50563080787799 0.49436919212200 0.24173187412734 1.008 > 3 26 H 0.50563080787799 0.49436919212200 0.57506520746067 1.008 > 3 27 H 0.50563080787799 0.49436919212200 0.90839854079401 1.008 > 3 *28 C 0.15339528467510 0.84660471532490 0.10691477423848 12.011 > 4 29 C 0.15339528467510 0.84660471532490 0.44024810757181 12.011 > 4 30 C 0.15339528467510 0.84660471532490 0.77358144090515 12.011 > 4 31 C 0.48672861800844 0.97345723601688 0.32913699646070 12.011 > 5 32 C 0.48672861800844 0.97345723601688 0.66247032979403 12.011 > 5 33 C 0.48672861800844 0.97345723601688 0.99580366312737 12.011 > 5 34 C 0.02654276398312 0.51327138199156 0.32913699646070 12.011 > 6 35 C 0.02654276398312 0.51327138199156 0.66247032979403 12.011 > 6 36 C 0.02654276398312 0.51327138199156 0.99580366312737 12.011 > 6 37 C 0.82006195134177 0.17993804865823 0.21802588534959 12.011 > 4 38 C 0.82006195134177 0.17993804865823 0.55135921868292 12.011 > 4 39 C 0.82006195134177 0.17993804865823 0.88469255201626 12.011 > 4 40 C 0.15339528467510 0.30679056935021 0.10691477423848 12.011 > 5 41 C 0.15339528467510 0.30679056935021 0.44024810757181 12.011 > 5 42 C 0.15339528467510 0.30679056935021 0.77358144090515 12.011 > 5 43 C 0.69320943064979 0.84660471532490 0.10691477423848 12.011 > 6 44 C 0.69320943064979 0.84660471532490 0.44024810757181 12.011 > 6 45 C 0.69320943064979 0.84660471532490 0.77358144090515 12.011 > 6 46 C 0.48672861800844 0.51327138199156 0.32913699646070 12.011 > 4 47 C 0.48672861800844 0.51327138199156 0.66247032979403 12.011 > 4 48 C 0.48672861800844 0.51327138199156 0.99580366312737 12.011 > 4 49 C 0.82006195134177 0.64012390268354 0.21802588534959 12.011 > 5 50 C 0.82006195134177 0.64012390268354 0.55135921868292 12.011 > 5 51 C 0.82006195134177 0.64012390268354 0.88469255201626 12.011 > 5 52 C 0.35987609731646 0.17993804865823 0.21802588534959 12.011 > 6 53 C 0.35987609731646 0.17993804865823 0.55135921868292 12.011 > 6 54 C 0.35987609731646 0.17993804865823 0.88469255201626 12.011 > 6 *55 O 0.86681230432801 0.73362460865601 0.29451461126615 15.999 > 7 56 O 0.86681230432801 0.73362460865601 0.62784794459949 15.999 > 7 57 O 0.86681230432801 0.73362460865601 0.96118127793282 15.999 > 7 *58 O 0.08448639207809 0.91551360792191 0.12298708691830 15.999 > 8 59 O 0.08448639207809 0.91551360792191 0.45632042025163 15.999 > 8 60 O 0.08448639207809 0.91551360792191 0.78965375358497 15.999 > 8 61 O 0.49769388251049 0.24884694125524 0.23409819802941 15.999 > 9 62 O 0.49769388251049 0.24884694125524 0.56743153136274 15.999 > 9 63 O 0.49769388251049 0.24884694125524 0.90076486469608 15.999 > 9 64 O 0.20014563766134 0.79985436233866 0.18340350015504 15.999 > 10 65 O 0.20014563766134 0.79985436233866 0.51673683348837 15.999 > 10 66 O 0.20014563766134 0.79985436233866 0.85007016682171 15.999 > 10 67 O 0.26637539134399 0.13318769567200 0.29451461126615 15.999 > 11 68 O 0.26637539134399 0.13318769567200 0.62784794459949 15.999 > 11 69 O 0.26637539134399 0.13318769567200 0.96118127793282 15.999 > 11 70 O 0.75115305874476 0.50230611748951 0.23409819802941 15.999 > 12 71 O 0.75115305874476 0.50230611748951 0.56743153136274 15.999 > 12 72 O 0.75115305874476 0.50230611748951 0.90076486469608 15.999 > 12 73 O 0.53347897099467 0.06695794198934 0.07229238904393 15.999 > 7 74 O 0.53347897099467 0.06695794198934 0.40562572237726 15.999 > 7 75 O 0.53347897099467 0.06695794198934 0.73895905571060 15.999 > 7 76 O 0.75115305874476 0.24884694125524 0.23409819802941 15.999 > 8 77 O 0.75115305874476 0.24884694125524 0.56743153136274 15.999 > 8 78 O 0.75115305874476 0.24884694125524 0.90076486469608 15.999 > 8 79 O 0.16436054917715 0.58218027458858 0.01187597580719 15.999 > 9 80 O 0.16436054917715 0.58218027458858 0.34520930914052 15.999 > 9 81 O 0.16436054917715 0.58218027458858 0.67854264247386 15.999 > 9 82 O 0.86681230432801 0.13318769567200 0.29451461126615 15.999 > 10 83 O 0.86681230432801 0.13318769567200 0.62784794459948 15.999 > 10 84 O 0.86681230432801 0.13318769567200 0.96118127793282 15.999 > 10 85 O 0.93304205801066 0.46652102900533 0.07229238904393 15.999 > 11 86 O 0.93304205801066 0.46652102900533 0.40562572237726 15.999 > 11 87 O 0.93304205801066 0.46652102900533 0.73895905571060 15.999 > 11 88 O 0.41781972541142 0.83563945082285 0.01187597580719 15.999 > 12 89 O 0.41781972541142 0.83563945082285 0.34520930914052 15.999 > 12 90 O 0.41781972541142 0.83563945082285 0.67854264247386 15.999 > 12 91 O 0.20014563766134 0.40029127532268 0.18340350015504 15.999 > 7 92 O 0.20014563766134 0.40029127532268 0.51673683348837 15.999 > 7 93 O 0.20014563766134 0.40029127532268 0.85007016682171 15.999 > 7 94 O 0.41781972541142 0.58218027458858 0.01187597580719 15.999 > 8 95 O 0.41781972541142 0.58218027458858 0.34520930914052 15.999 > 8 96 O 0.41781972541142 0.58218027458858 0.67854264247386 15.999 > 8 97 O 0.83102721584382 0.91551360792191 0.12298708691830 15.999 > 9 98 O 0.83102721584382 0.91551360792191 0.45632042025163 15.999 > 9 99 O 0.83102721584382 0.91551360792191 0.78965375358497 15.999 > 9 100 O 0.53347897099467 0.46652102900533 0.07229238904393 15.999 > 10 101 O 0.53347897099467 0.46652102900533 0.40562572237726 15.999 > 10 102 O 0.53347897099467 0.46652102900533 0.73895905571060 15.999 > 10 103 O 0.59970872467732 0.79985436233866 0.18340350015504 15.999 > 11 104 O 0.59970872467732 0.79985436233866 0.51673683348837 15.999 > 11 105 O 0.59970872467732 0.79985436233866 0.85007016682171 15.999 > 11 106 O 0.08448639207809 0.16897278415618 0.12298708691830 15.999 > 12 107 O 0.08448639207809 0.16897278415618 0.45632042025163 15.999 > 12 108 O 0.08448639207809 0.16897278415618 0.78965375358497 15.999 > 12 *109 Nd 0.00000000000000 0.00000000000000 0.28818827812695 144.242 > 13 110 Nd 0.00000000000000 0.00000000000000 0.62152161146029 144.242 > 13 111 Nd 0.00000000000000 0.00000000000000 0.95485494479362 144.242 > 13 112 Nd 0.66666666666667 0.33333333333333 0.06596605590473 144.242 > 13 113 Nd 0.66666666666667 0.33333333333333 0.39929938923807 144.242 > 13 114 Nd 0.66666666666667 0.33333333333333 0.73263272257140 144.242 > 13 115 Nd 0.33333333333333 0.66666666666667 0.17707716701584 144.242 > 13 116 Nd 0.33333333333333 0.66666666666667 0.51041050034918 144.242 > 13 117 Nd 0.33333333333333 0.66666666666667 0.84374383368251 144.242 > 13----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1637461 -0.0000000 0.0000000 0.0000000 3.1637461 0.0000000 0.0000000 0.0000000 3.1078941-------------------------- Born effective charges -------------------------- 1 H 0.1813271 -0.0000000 -0.0000000 0.0000000 0.0419817 -0.0430267 0.0000000 -0.0460246 0.2552965 2 H 0.0768181 -0.0603383 0.0372622 -0.0603383 0.1464908 0.0215134 0.0398585 0.0230123 0.2552965 3 H 0.0768181 0.0603383 -0.0372622 0.0603383 0.1464908 0.0215134 -0.0398585 0.0230123 0.2552965 4 C 2.4538310 -1.2395845 0.7872026 -1.2395845 1.0224822 -0.4544917 0.5398973 -0.3117099 1.0726600 5 C 0.3068078 0.0000000 0.0000000 0.0000000 3.1695055 0.9089833 0.0000000 0.6234197 1.0726600 6 C 2.4538310 1.2395845 -0.7872026 1.2395845 1.0224822 -0.4544917 -0.5398973 -0.3117099 1.0726600 7 O -0.5806286 -0.0000000 -0.0000000 0.0000000 -2.4454552 -1.1165123 0.0000000 -0.4445143 -1.4284699 8 O -2.2849473 0.9021814 0.2125735 0.9021814 -1.2431980 -0.1227294 -0.2284362 0.1318877 -1.2170407 9 O -2.2849473 -0.9021814 -0.2125735 -0.9021814 -1.2431980 -0.1227294 0.2284362 0.1318877 -1.2170407 10 O -1.9792486 0.8074936 -0.9669280 0.8074936 -1.0468352 0.5582562 -0.3849606 0.2222571 -1.4284699 11 O -1.9792486 -0.8074936 0.9669280 -0.8074936 -1.0468352 0.5582562 0.3849606 0.2222571 -1.4284699 12 O -0.7223234 -0.0000000 0.0000000 0.0000000 -2.8058220 0.2454588 0.0000000 -0.2637754 -1.2170407 13 Nd 4.2819107 -0.0000000 0.0000000 0.0000000 4.2819107 0.0000000 0.0000000 0.0000000 3.9526622----------------------------------------------------------------------------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: 351/351Permutation basis: 8427/8427Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1210Number of blocks in projector: 746Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 517Use submatrix version of eigh solver.(1) Block: 517 / 517 (2) Block: 250 / 517 (2) 241 eigenvectors found. (2) Block: 517 / 517 (2) 260 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 3 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 242 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 496 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 3 ---Block_size: 189Use standard eigh solver.Tree of FC basis block matrices:- (1210, 1188), data: False|-- (189, 184), data: True|-- (504, 496), data: False |-- (504, 496), data: False |-- (504, 6), data: (504, 14) @ (14, 6) |-- (254, 248), data: True |-- (250, 242), data: True|-- (517, 508), data: False |-- (517, 508), data: False |-- (517, 7), data: (517, 16) @ (16, 7) |-- (267, 260), data: True |-- (250, 241), data: True-----Solver_atoms: 1 -- 117 / 117Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 320 - Time: 0.281Solver_block: 200 / 320 - Time: 0.270Solver_block: 300 / 320 - Time: 0.271Solver_block: 320 / 320 - Time: 0.091Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.935--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 351/351Permutation basis: 8427/8427Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1210Number of blocks in projector: 746Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 517Use submatrix version of eigh solver.(1) Block: 517 / 517 (2) Block: 250 / 517 (2) 241 eigenvectors found. (2) Block: 517 / 517 (2) 260 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 508 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 3 ---Block_size: 504Use submatrix version of eigh solver.(1) Block: 504 / 504 (2) Block: 250 / 504 (2) 242 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found.(1) 496 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 3 / 3 ---Block_size: 189Use standard eigh solver.Tree of FC basis block matrices:- (1210, 1188), data: False|-- (189, 184), data: True|-- (504, 496), data: False |-- (504, 496), data: False |-- (504, 6), data: (504, 14) @ (14, 6) |-- (254, 248), data: True |-- (250, 242), data: True|-- (517, 508), data: False |-- (517, 508), data: False |-- (517, 7), data: (517, 16) @ (16, 7) |-- (267, 260), data: True |-- (250, 241), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 05:39:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:39:46]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 1 3]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.285624365645793 3.051656650340837 1.344027476666665 b -5.285624365645782 3.051656650340837 1.344027476666665 c 0.000000000000005 -6.103313300681683 1.344027476666665Atomic positions (fractional): 1 H 0.23082643026002 0.23082643026002 0.71393400662603 1.008 2 H 0.71393400662603 0.23082643026002 0.23082643026002 1.008 3 H 0.23082643026002 0.71393400662603 0.23082643026002 1.008 4 C 0.47413960739054 0.01395375336523 0.47413960739054 12.011 5 C 0.47413960739054 0.47413960739054 0.01395375336523 12.011 6 C 0.01395375336522 0.47413960739054 0.47413960739054 12.011 7 O 0.75035613812646 0.75035613812646 0.14991922514245 15.999 8 O 0.45344765283299 0.19998847659872 0.45344765283299 15.999 9 O 0.19998847659872 0.45344765283299 0.45344765283299 15.999 10 O 0.75035613812646 0.14991922514245 0.75035613812646 15.999 11 O 0.14991922514245 0.75035613812646 0.75035613812646 15.999 12 O 0.45344765283299 0.45344765283299 0.19998847659872 15.999 13 Nd 0.86456483438087 0.86456483438087 0.86456483438087 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.571248731291575 0.000000000000000 0.000000000000000 b -5.285624365645788 9.154969951022521 0.000000000000000 c 0.000000000000000 0.000000000000000 12.096247290000001Atomic positions (fractional): 1 H 0.50563080787799 0.01126161575599 0.24173187412734 1.008 > 1 2 H 0.50563080787799 0.01126161575599 0.57506520746067 1.008 > 1 3 H 0.50563080787799 0.01126161575599 0.90839854079401 1.008 > 1 4 H 0.98873838424401 0.49436919212200 0.24173187412734 1.008 > 4 5 H 0.98873838424401 0.49436919212200 0.57506520746067 1.008 > 4 6 H 0.98873838424401 0.49436919212200 0.90839854079401 1.008 > 4 7 H 0.17229747454466 0.82770252545534 0.01950965190512 1.008 > 7 8 H 0.17229747454466 0.82770252545534 0.35284298523845 1.008 > 7 9 H 0.17229747454466 0.82770252545534 0.68617631857179 1.008 > 7 10 H 0.17229747454466 0.34459494908932 0.01950965190512 1.008 > 1 11 H 0.17229747454466 0.34459494908932 0.35284298523845 1.008 > 1 12 H 0.17229747454466 0.34459494908932 0.68617631857179 1.008 > 1 13 H 0.65540505091068 0.82770252545534 0.01950965190512 1.008 > 4 14 H 0.65540505091068 0.82770252545534 0.35284298523845 1.008 > 4 15 H 0.65540505091068 0.82770252545534 0.68617631857179 1.008 > 4 16 H 0.83896414121133 0.16103585878867 0.13062076301623 1.008 > 7 17 H 0.83896414121133 0.16103585878867 0.46395409634956 1.008 > 7 18 H 0.83896414121133 0.16103585878867 0.79728742968290 1.008 > 7 19 H 0.83896414121133 0.67792828242266 0.13062076301623 1.008 > 1 20 H 0.83896414121133 0.67792828242266 0.46395409634956 1.008 > 1 21 H 0.83896414121133 0.67792828242266 0.79728742968290 1.008 > 1 22 H 0.32207171757734 0.16103585878867 0.13062076301623 1.008 > 4 23 H 0.32207171757734 0.16103585878867 0.46395409634956 1.008 > 4 24 H 0.32207171757734 0.16103585878867 0.79728742968290 1.008 > 4 25 H 0.50563080787799 0.49436919212200 0.24173187412734 1.008 > 7 26 H 0.50563080787799 0.49436919212200 0.57506520746067 1.008 > 7 27 H 0.50563080787799 0.49436919212200 0.90839854079401 1.008 > 7 28 C 0.15339528467510 0.84660471532490 0.10691477423848 12.011 > 28 29 C 0.15339528467510 0.84660471532490 0.44024810757181 12.011 > 28 30 C 0.15339528467510 0.84660471532490 0.77358144090515 12.011 > 28 31 C 0.48672861800844 0.97345723601688 0.32913699646070 12.011 > 31 32 C 0.48672861800844 0.97345723601688 0.66247032979403 12.011 > 31 33 C 0.48672861800844 0.97345723601688 0.99580366312737 12.011 > 31 34 C 0.02654276398312 0.51327138199156 0.32913699646070 12.011 > 34 35 C 0.02654276398312 0.51327138199156 0.66247032979403 12.011 > 34 36 C 0.02654276398312 0.51327138199156 0.99580366312737 12.011 > 34 37 C 0.82006195134177 0.17993804865823 0.21802588534959 12.011 > 28 38 C 0.82006195134177 0.17993804865823 0.55135921868292 12.011 > 28 39 C 0.82006195134177 0.17993804865823 0.88469255201626 12.011 > 28 40 C 0.15339528467510 0.30679056935021 0.10691477423848 12.011 > 31 41 C 0.15339528467510 0.30679056935021 0.44024810757181 12.011 > 31 42 C 0.15339528467510 0.30679056935021 0.77358144090515 12.011 > 31 43 C 0.69320943064979 0.84660471532490 0.10691477423848 12.011 > 34 44 C 0.69320943064979 0.84660471532490 0.44024810757181 12.011 > 34 45 C 0.69320943064979 0.84660471532490 0.77358144090515 12.011 > 34 46 C 0.48672861800844 0.51327138199156 0.32913699646070 12.011 > 28 47 C 0.48672861800844 0.51327138199156 0.66247032979403 12.011 > 28 48 C 0.48672861800844 0.51327138199156 0.99580366312737 12.011 > 28 49 C 0.82006195134177 0.64012390268354 0.21802588534959 12.011 > 31 50 C 0.82006195134177 0.64012390268354 0.55135921868292 12.011 > 31 51 C 0.82006195134177 0.64012390268354 0.88469255201626 12.011 > 31 52 C 0.35987609731646 0.17993804865823 0.21802588534959 12.011 > 34 53 C 0.35987609731646 0.17993804865823 0.55135921868292 12.011 > 34 54 C 0.35987609731646 0.17993804865823 0.88469255201626 12.011 > 34 55 O 0.86681230432801 0.73362460865601 0.29451461126615 15.999 > 55 56 O 0.86681230432801 0.73362460865601 0.62784794459949 15.999 > 55 57 O 0.86681230432801 0.73362460865601 0.96118127793282 15.999 > 55 58 O 0.08448639207809 0.91551360792191 0.12298708691830 15.999 > 58 59 O 0.08448639207809 0.91551360792191 0.45632042025163 15.999 > 58 60 O 0.08448639207809 0.91551360792191 0.78965375358497 15.999 > 58 61 O 0.49769388251049 0.24884694125524 0.23409819802941 15.999 > 61 62 O 0.49769388251049 0.24884694125524 0.56743153136274 15.999 > 61 63 O 0.49769388251049 0.24884694125524 0.90076486469608 15.999 > 61 64 O 0.20014563766134 0.79985436233866 0.18340350015504 15.999 > 64 65 O 0.20014563766134 0.79985436233866 0.51673683348837 15.999 > 64 66 O 0.20014563766134 0.79985436233866 0.85007016682171 15.999 > 64 67 O 0.26637539134399 0.13318769567200 0.29451461126615 15.999 > 67 68 O 0.26637539134399 0.13318769567200 0.62784794459949 15.999 > 67 69 O 0.26637539134399 0.13318769567200 0.96118127793282 15.999 > 67 70 O 0.75115305874476 0.50230611748951 0.23409819802941 15.999 > 70 71 O 0.75115305874476 0.50230611748951 0.56743153136274 15.999 > 70 72 O 0.75115305874476 0.50230611748951 0.90076486469608 15.999 > 70 73 O 0.53347897099467 0.06695794198934 0.07229238904393 15.999 > 55 74 O 0.53347897099467 0.06695794198934 0.40562572237726 15.999 > 55 75 O 0.53347897099467 0.06695794198934 0.73895905571060 15.999 > 55 76 O 0.75115305874476 0.24884694125524 0.23409819802941 15.999 > 58 77 O 0.75115305874476 0.24884694125524 0.56743153136274 15.999 > 58 78 O 0.75115305874476 0.24884694125524 0.90076486469608 15.999 > 58 79 O 0.16436054917715 0.58218027458858 0.01187597580719 15.999 > 61 80 O 0.16436054917715 0.58218027458858 0.34520930914052 15.999 > 61 81 O 0.16436054917715 0.58218027458858 0.67854264247386 15.999 > 61 82 O 0.86681230432801 0.13318769567200 0.29451461126615 15.999 > 64 83 O 0.86681230432801 0.13318769567200 0.62784794459948 15.999 > 64 84 O 0.86681230432801 0.13318769567200 0.96118127793282 15.999 > 64 85 O 0.93304205801066 0.46652102900533 0.07229238904393 15.999 > 67 86 O 0.93304205801066 0.46652102900533 0.40562572237726 15.999 > 67 87 O 0.93304205801066 0.46652102900533 0.73895905571060 15.999 > 67 88 O 0.41781972541142 0.83563945082285 0.01187597580719 15.999 > 70 89 O 0.41781972541142 0.83563945082285 0.34520930914052 15.999 > 70 90 O 0.41781972541142 0.83563945082285 0.67854264247386 15.999 > 70 91 O 0.20014563766134 0.40029127532268 0.18340350015504 15.999 > 55 92 O 0.20014563766134 0.40029127532268 0.51673683348837 15.999 > 55 93 O 0.20014563766134 0.40029127532268 0.85007016682171 15.999 > 55 94 O 0.41781972541142 0.58218027458858 0.01187597580719 15.999 > 58 95 O 0.41781972541142 0.58218027458858 0.34520930914052 15.999 > 58 96 O 0.41781972541142 0.58218027458858 0.67854264247386 15.999 > 58 97 O 0.83102721584382 0.91551360792191 0.12298708691830 15.999 > 61 98 O 0.83102721584382 0.91551360792191 0.45632042025163 15.999 > 61 99 O 0.83102721584382 0.91551360792191 0.78965375358497 15.999 > 61 100 O 0.53347897099467 0.46652102900533 0.07229238904393 15.999 > 64 101 O 0.53347897099467 0.46652102900533 0.40562572237726 15.999 > 64 102 O 0.53347897099467 0.46652102900533 0.73895905571060 15.999 > 64 103 O 0.59970872467732 0.79985436233866 0.18340350015504 15.999 > 67 104 O 0.59970872467732 0.79985436233866 0.51673683348837 15.999 > 67 105 O 0.59970872467732 0.79985436233866 0.85007016682171 15.999 > 67 106 O 0.08448639207809 0.16897278415618 0.12298708691830 15.999 > 70 107 O 0.08448639207809 0.16897278415618 0.45632042025163 15.999 > 70 108 O 0.08448639207809 0.16897278415618 0.78965375358497 15.999 > 70 109 Nd 0.00000000000000 0.00000000000000 0.28818827812695 144.242 > 109 110 Nd 0.00000000000000 0.00000000000000 0.62152161146029 144.242 > 109 111 Nd 0.00000000000000 0.00000000000000 0.95485494479362 144.242 > 109 112 Nd 0.66666666666667 0.33333333333333 0.06596605590473 144.242 > 109 113 Nd 0.66666666666667 0.33333333333333 0.39929938923807 144.242 > 109 114 Nd 0.66666666666667 0.33333333333333 0.73263272257140 144.242 > 109 115 Nd 0.33333333333333 0.66666666666667 0.17707716701584 144.242 > 109 116 Nd 0.33333333333333 0.66666666666667 0.51041050034918 144.242 > 109 117 Nd 0.33333333333333 0.66666666666667 0.84374383368251 144.242 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.1637461 -0.0000000 0.0000000 0.0000000 3.1637461 0.0000000 0.0000000 0.0000000 3.1078941-------------------------- Born effective charges -------------------------- 1 H 0.1813271 -0.0000000 -0.0000000 0.0000000 0.0419817 -0.0430267 0.0000000 -0.0460246 0.2552965 2 H 0.0768181 -0.0603383 0.0372622 -0.0603383 0.1464908 0.0215134 0.0398585 0.0230123 0.2552965 3 H 0.0768181 0.0603383 -0.0372622 0.0603383 0.1464908 0.0215134 -0.0398585 0.0230123 0.2552965 4 C 2.4538310 -1.2395845 0.7872026 -1.2395845 1.0224822 -0.4544917 0.5398973 -0.3117099 1.0726600 5 C 0.3068078 0.0000000 0.0000000 0.0000000 3.1695055 0.9089833 0.0000000 0.6234197 1.0726600 6 C 2.4538310 1.2395845 -0.7872026 1.2395845 1.0224822 -0.4544917 -0.5398973 -0.3117099 1.0726600 7 O -0.5806286 -0.0000000 -0.0000000 0.0000000 -2.4454552 -1.1165123 0.0000000 -0.4445143 -1.4284699 8 O -2.2849473 0.9021814 0.2125735 0.9021814 -1.2431980 -0.1227294 -0.2284362 0.1318877 -1.2170407 9 O -2.2849473 -0.9021814 -0.2125735 -0.9021814 -1.2431980 -0.1227294 0.2284362 0.1318877 -1.2170407 10 O -1.9792486 0.8074936 -0.9669280 0.8074936 -1.0468352 0.5582562 -0.3849606 0.2222571 -1.4284699 11 O -1.9792486 -0.8074936 0.9669280 -0.8074936 -1.0468352 0.5582562 0.3849606 0.2222571 -1.4284699 12 O -0.7223234 -0.0000000 0.0000000 0.0000000 -2.8058220 0.2454588 0.0000000 -0.2637754 -1.2170407 13 Nd 4.2819107 -0.0000000 0.0000000 0.0000000 4.2819107 0.0000000 0.0000000 0.0000000 3.9526622----------------------------------------------------------------------------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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 28, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 58, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 109, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:39:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 05:39:58]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 1 3]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R3m (160)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.285624365645793 3.051656650340837 1.344027476666665 b -5.285624365645782 3.051656650340837 1.344027476666665 c 0.000000000000005 -6.103313300681683 1.344027476666665Atomic positions (fractional): 1 H 0.23082643026002 0.23082643026002 0.71393400662603 1.008 2 H 0.71393400662603 0.23082643026002 0.23082643026002 1.008 3 H 0.23082643026002 0.71393400662603 0.23082643026002 1.008 4 C 0.47413960739054 0.01395375336523 0.47413960739054 12.011 5 C 0.47413960739054 0.47413960739054 0.01395375336523 12.011 6 C 0.01395375336522 0.47413960739054 0.47413960739054 12.011 7 O 0.75035613812646 0.75035613812646 0.14991922514245 15.999 8 O 0.45344765283299 0.19998847659872 0.45344765283299 15.999 9 O 0.19998847659872 0.45344765283299 0.45344765283299 15.999 10 O 0.75035613812646 0.14991922514245 0.75035613812646 15.999 11 O 0.14991922514245 0.75035613812646 0.75035613812646 15.999 12 O 0.45344765283299 0.45344765283299 0.19998847659872 15.999 13 Nd 0.86456483438087 0.86456483438087 0.86456483438087 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 10.571248731291575 0.000000000000000 0.000000000000000 b -5.285624365645788 9.154969951022521 0.000000000000000 c 0.000000000000000 0.000000000000000 12.096247290000001Atomic positions (fractional): 1 H 0.50563080787799 0.01126161575599 0.24173187412734 1.008 > 1 2 H 0.50563080787799 0.01126161575599 0.57506520746067 1.008 > 1 3 H 0.50563080787799 0.01126161575599 0.90839854079401 1.008 > 1 4 H 0.98873838424401 0.49436919212200 0.24173187412734 1.008 > 4 5 H 0.98873838424401 0.49436919212200 0.57506520746067 1.008 > 4 6 H 0.98873838424401 0.49436919212200 0.90839854079401 1.008 > 4 7 H 0.17229747454466 0.82770252545534 0.01950965190512 1.008 > 7 8 H 0.17229747454466 0.82770252545534 0.35284298523845 1.008 > 7 9 H 0.17229747454466 0.82770252545534 0.68617631857179 1.008 > 7 10 H 0.17229747454466 0.34459494908932 0.01950965190512 1.008 > 1 11 H 0.17229747454466 0.34459494908932 0.35284298523845 1.008 > 1 12 H 0.17229747454466 0.34459494908932 0.68617631857179 1.008 > 1 13 H 0.65540505091068 0.82770252545534 0.01950965190512 1.008 > 4 14 H 0.65540505091068 0.82770252545534 0.35284298523845 1.008 > 4 15 H 0.65540505091068 0.82770252545534 0.68617631857179 1.008 > 4 16 H 0.83896414121133 0.16103585878867 0.13062076301623 1.008 > 7 17 H 0.83896414121133 0.16103585878867 0.46395409634956 1.008 > 7 18 H 0.83896414121133 0.16103585878867 0.79728742968290 1.008 > 7 19 H 0.83896414121133 0.67792828242266 0.13062076301623 1.008 > 1 20 H 0.83896414121133 0.67792828242266 0.46395409634956 1.008 > 1 21 H 0.83896414121133 0.67792828242266 0.79728742968290 1.008 > 1 22 H 0.32207171757734 0.16103585878867 0.13062076301623 1.008 > 4 23 H 0.32207171757734 0.16103585878867 0.46395409634956 1.008 > 4 24 H 0.32207171757734 0.16103585878867 0.79728742968290 1.008 > 4 25 H 0.50563080787799 0.49436919212200 0.24173187412734 1.008 > 7 26 H 0.50563080787799 0.49436919212200 0.57506520746067 1.008 > 7 27 H 0.50563080787799 0.49436919212200 0.90839854079401 1.008 > 7 28 C 0.15339528467510 0.84660471532490 0.10691477423848 12.011 > 28 29 C 0.15339528467510 0.84660471532490 0.44024810757181 12.011 > 28 30 C 0.15339528467510 0.84660471532490 0.77358144090515 12.011 > 28 31 C 0.48672861800844 0.97345723601688 0.32913699646070 12.011 > 31 32 C 0.48672861800844 0.97345723601688 0.66247032979403 12.011 > 31 33 C 0.48672861800844 0.97345723601688 0.99580366312737 12.011 > 31 34 C 0.02654276398312 0.51327138199156 0.32913699646070 12.011 > 34 35 C 0.02654276398312 0.51327138199156 0.66247032979403 12.011 > 34 36 C 0.02654276398312 0.51327138199156 0.99580366312737 12.011 > 34 37 C 0.82006195134177 0.17993804865823 0.21802588534959 12.011 > 28 38 C 0.82006195134177 0.17993804865823 0.55135921868292 12.011 > 28 39 C 0.82006195134177 0.17993804865823 0.88469255201626 12.011 > 28 40 C 0.15339528467510 0.30679056935021 0.10691477423848 12.011 > 31 41 C 0.15339528467510 0.30679056935021 0.44024810757181 12.011 > 31 42 C 0.15339528467510 0.30679056935021 0.77358144090515 12.011 > 31 43 C 0.69320943064979 0.84660471532490 0.10691477423848 12.011 > 34 44 C 0.69320943064979 0.84660471532490 0.44024810757181 12.011 > 34 45 C 0.69320943064979 0.84660471532490 0.77358144090515 12.011 > 34 46 C 0.48672861800844 0.51327138199156 0.32913699646070 12.011 > 28 47 C 0.48672861800844 0.51327138199156 0.66247032979403 12.011 > 28 48 C 0.48672861800844 0.51327138199156 0.99580366312737 12.011 > 28 49 C 0.82006195134177 0.64012390268354 0.21802588534959 12.011 > 31 50 C 0.82006195134177 0.64012390268354 0.55135921868292 12.011 > 31 51 C 0.82006195134177 0.64012390268354 0.88469255201626 12.011 > 31 52 C 0.35987609731646 0.17993804865823 0.21802588534959 12.011 > 34 53 C 0.35987609731646 0.17993804865823 0.55135921868292 12.011 > 34 54 C 0.35987609731646 0.17993804865823 0.88469255201626 12.011 > 34 55 O 0.86681230432801 0.73362460865601 0.29451461126615 15.999 > 55 56 O 0.86681230432801 0.73362460865601 0.62784794459949 15.999 > 55 57 O 0.86681230432801 0.73362460865601 0.96118127793282 15.999 > 55 58 O 0.08448639207809 0.91551360792191 0.12298708691830 15.999 > 58 59 O 0.08448639207809 0.91551360792191 0.45632042025163 15.999 > 58 60 O 0.08448639207809 0.91551360792191 0.78965375358497 15.999 > 58 61 O 0.49769388251049 0.24884694125524 0.23409819802941 15.999 > 61 62 O 0.49769388251049 0.24884694125524 0.56743153136274 15.999 > 61 63 O 0.49769388251049 0.24884694125524 0.90076486469608 15.999 > 61 64 O 0.20014563766134 0.79985436233866 0.18340350015504 15.999 > 64 65 O 0.20014563766134 0.79985436233866 0.51673683348837 15.999 > 64 66 O 0.20014563766134 0.79985436233866 0.85007016682171 15.999 > 64 67 O 0.26637539134399 0.13318769567200 0.29451461126615 15.999 > 67 68 O 0.26637539134399 0.13318769567200 0.62784794459949 15.999 > 67 69 O 0.26637539134399 0.13318769567200 0.96118127793282 15.999 > 67 70 O 0.75115305874476 0.50230611748951 0.23409819802941 15.999 > 70 71 O 0.75115305874476 0.50230611748951 0.56743153136274 15.999 > 70 72 O 0.75115305874476 0.50230611748951 0.90076486469608 15.999 > 70 73 O 0.53347897099467 0.06695794198934 0.07229238904393 15.999 > 55 74 O 0.53347897099467 0.06695794198934 0.40562572237726 15.999 > 55 75 O 0.53347897099467 0.06695794198934 0.73895905571060 15.999 > 55 76 O 0.75115305874476 0.24884694125524 0.23409819802941 15.999 > 58 77 O 0.75115305874476 0.24884694125524 0.56743153136274 15.999 > 58 78 O 0.75115305874476 0.24884694125524 0.90076486469608 15.999 > 58 79 O 0.16436054917715 0.58218027458858 0.01187597580719 15.999 > 61 80 O 0.16436054917715 0.58218027458858 0.34520930914052 15.999 > 61 81 O 0.16436054917715 0.58218027458858 0.67854264247386 15.999 > 61 82 O 0.86681230432801 0.13318769567200 0.29451461126615 15.999 > 64 83 O 0.86681230432801 0.13318769567200 0.62784794459948 15.999 > 64 84 O 0.86681230432801 0.13318769567200 0.96118127793282 15.999 > 64 85 O 0.93304205801066 0.46652102900533 0.07229238904393 15.999 > 67 86 O 0.93304205801066 0.46652102900533 0.40562572237726 15.999 > 67 87 O 0.93304205801066 0.46652102900533 0.73895905571060 15.999 > 67 88 O 0.41781972541142 0.83563945082285 0.01187597580719 15.999 > 70 89 O 0.41781972541142 0.83563945082285 0.34520930914052 15.999 > 70 90 O 0.41781972541142 0.83563945082285 0.67854264247386 15.999 > 70 91 O 0.20014563766134 0.40029127532268 0.18340350015504 15.999 > 55 92 O 0.20014563766134 0.40029127532268 0.51673683348837 15.999 > 55 93 O 0.20014563766134 0.40029127532268 0.85007016682171 15.999 > 55 94 O 0.41781972541142 0.58218027458858 0.01187597580719 15.999 > 58 95 O 0.41781972541142 0.58218027458858 0.34520930914052 15.999 > 58 96 O 0.41781972541142 0.58218027458858 0.67854264247386 15.999 > 58 97 O 0.83102721584382 0.91551360792191 0.12298708691830 15.999 > 61 98 O 0.83102721584382 0.91551360792191 0.45632042025163 15.999 > 61 99 O 0.83102721584382 0.91551360792191 0.78965375358497 15.999 > 61 100 O 0.53347897099467 0.46652102900533 0.07229238904393 15.999 > 64 101 O 0.53347897099467 0.46652102900533 0.40562572237726 15.999 > 64 102 O 0.53347897099467 0.46652102900533 0.73895905571060 15.999 > 64 103 O 0.59970872467732 0.79985436233866 0.18340350015504 15.999 > 67 104 O 0.59970872467732 0.79985436233866 0.51673683348837 15.999 > 67 105 O 0.59970872467732 0.79985436233866 0.85007016682171 15.999 > 67 106 O 0.08448639207809 0.16897278415618 0.12298708691830 15.999 > 70 107 O 0.08448639207809 0.16897278415618 0.45632042025163 15.999 > 70 108 O 0.08448639207809 0.16897278415618 0.78965375358497 15.999 > 70 109 Nd 0.00000000000000 0.00000000000000 0.28818827812695 144.242 > 109 110 Nd 0.00000000000000 0.00000000000000 0.62152161146029 144.242 > 109 111 Nd 0.00000000000000 0.00000000000000 0.95485494479362 144.242 > 109 112 Nd 0.66666666666667 0.33333333333333 0.06596605590473 144.242 > 109 113 Nd 0.66666666666667 0.33333333333333 0.39929938923807 144.242 > 109 114 Nd 0.66666666666667 0.33333333333333 0.73263272257140 144.242 > 109 115 Nd 0.33333333333333 0.66666666666667 0.17707716701584 144.242 > 109 116 Nd 0.33333333333333 0.66666666666667 0.51041050034918 144.242 > 109 117 Nd 0.33333333333333 0.66666666666667 0.84374383368251 144.242 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.1637461 -0.0000000 0.0000000 0.0000000 3.1637461 0.0000000 0.0000000 0.0000000 3.1078941-------------------------- Born effective charges -------------------------- 1 H 0.1813271 -0.0000000 -0.0000000 0.0000000 0.0419817 -0.0430267 0.0000000 -0.0460246 0.2552965 2 H 0.0768181 -0.0603383 0.0372622 -0.0603383 0.1464908 0.0215134 0.0398585 0.0230123 0.2552965 3 H 0.0768181 0.0603383 -0.0372622 0.0603383 0.1464908 0.0215134 -0.0398585 0.0230123 0.2552965 4 C 2.4538310 -1.2395845 0.7872026 -1.2395845 1.0224822 -0.4544917 0.5398973 -0.3117099 1.0726600 5 C 0.3068078 0.0000000 0.0000000 0.0000000 3.1695055 0.9089833 0.0000000 0.6234197 1.0726600 6 C 2.4538310 1.2395845 -0.7872026 1.2395845 1.0224822 -0.4544917 -0.5398973 -0.3117099 1.0726600 7 O -0.5806286 -0.0000000 -0.0000000 0.0000000 -2.4454552 -1.1165123 0.0000000 -0.4445143 -1.4284699 8 O -2.2849473 0.9021814 0.2125735 0.9021814 -1.2431980 -0.1227294 -0.2284362 0.1318877 -1.2170407 9 O -2.2849473 -0.9021814 -0.2125735 -0.9021814 -1.2431980 -0.1227294 0.2284362 0.1318877 -1.2170407 10 O -1.9792486 0.8074936 -0.9669280 0.8074936 -1.0468352 0.5582562 -0.3849606 0.2222571 -1.4284699 11 O -1.9792486 -0.8074936 0.9669280 -0.8074936 -1.0468352 0.5582562 0.3849606 0.2222571 -1.4284699 12 O -0.7223234 -0.0000000 0.0000000 0.0000000 -2.8058220 0.2454588 0.0000000 -0.2637754 -1.2170407 13 Nd 4.2819107 -0.0000000 0.0000000 0.0000000 4.2819107 0.0000000 0.0000000 0.0000000 3.9526622----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 14 ]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: 0.82, Number of G-points: 297, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/288) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 3.674 ( -0.000 0.000 -0.000) 0.000 3.857 ( 0.000 0.000 -0.000) 0.000 3.857 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 -0.000 -0.000) 0.000 5.097 ( 0.000 0.000 -0.000) 0.000 5.164 ( 0.000 0.000 -0.000) 0.000 5.790 ( 0.000 -0.000 -0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 -0.000 -0.000) 0.000 7.066 ( 0.000 -0.000 0.000) 0.000 7.066 ( 0.000 -0.000 0.000) 0.000 7.704 ( -0.000 0.000 -0.000) 0.000 7.715 ( 0.000 -0.000 0.000) 0.000 7.715 ( -0.000 0.000 0.000) 0.000 8.440 ( -0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 -0.000) 0.000 8.555 ( 0.000 -0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 22.584 ( 0.000 0.000 0.000) 0.000 22.584 ( 0.000 -0.000 -0.000) 0.000 22.617 ( -0.000 0.000 -0.000) 0.000 31.345 ( -0.000 0.000 -0.000) 0.000 31.660 ( 0.000 0.000 -0.000) 0.000 31.660 ( 0.000 0.000 0.000) 0.000 40.558 ( 0.000 0.000 0.000) 0.000 40.558 ( 0.000 0.000 0.000) 0.000 40.664 ( 0.000 0.000 0.000) 0.000 41.206 ( 0.000 0.000 0.000) 0.000 41.601 ( 0.000 0.000 0.000) 0.000 41.601 ( 0.000 0.000 -0.000) 0.000 47.090 ( -0.000 0.000 -0.000) 0.000 47.290 ( 0.000 -0.000 -0.000) 0.000 47.290 ( -0.000 0.000 -0.000) 0.000 87.539 ( 0.000 0.000 -0.000) 0.000 87.559 ( 0.000 -0.000 0.000) 0.000 87.559 ( 0.000 0.000 -0.000) 0.000======================= Grid point 1 (2/288) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( 9.494 5.481 27.899) 29.975 0.620 ( 20.787 12.001 23.651) 33.697 1.141 ( 15.234 8.795 55.111) 57.850 3.630 ( -13.590 -7.846 3.282) 16.032 3.881 ( 5.594 3.230 -2.112) 6.796 3.920 ( 10.736 6.198 0.339) 12.402 5.118 ( -0.563 -0.325 2.323) 2.412 5.133 ( 1.941 1.121 2.412) 3.293 5.738 ( -5.470 -3.158 -0.920) 6.382 5.810 ( 2.790 1.611 0.640) 3.284 5.965 ( -48.843 -28.200 28.653) 63.261 6.102 ( 1.730 0.999 -2.142) 2.929 7.056 ( -0.911 -0.526 -0.587) 1.204 7.436 ( 32.026 18.490 -19.684) 41.893 7.709 ( -0.086 -0.049 -0.578) 0.587 7.743 ( 6.094 3.518 -0.374) 7.047 7.957 ( 28.237 16.303 -12.917) 35.071 8.378 ( -2.314 -1.336 -5.480) 6.097 8.549 ( 0.308 0.178 -1.092) 1.148 8.555 ( 1.053 0.608 -0.507) 1.318 9.052 ( 14.296 8.254 -6.440) 17.719 22.590 ( -0.324 -0.187 0.938) 1.010 22.592 ( 0.198 0.114 0.837) 0.867 23.049 ( -15.682 -9.054 7.231) 19.498 31.344 ( 0.276 0.159 -0.255) 0.408 31.650 ( -0.106 -0.061 -1.046) 1.053 31.653 ( 0.219 0.127 -1.046) 1.076 40.553 ( 0.089 0.051 -0.946) 0.951 40.555 ( 0.007 0.004 -0.383) 0.383 40.846 ( -4.977 -2.873 1.443) 5.925 41.436 ( -15.902 -9.181 7.900) 19.989 41.596 ( -0.318 -0.184 -0.369) 0.521 41.694 ( 6.724 3.882 -3.731) 8.615 47.174 ( -10.426 -6.020 5.530) 13.249 47.269 ( -1.474 -0.851 -1.532) 2.290 48.092 ( 81.215 46.890 -41.282) 102.463 87.560 ( -0.057 -0.033 0.133) 0.149 87.560 ( -0.014 -0.008 0.217) 0.218 87.587 ( -1.452 -0.838 1.066) 1.987======================= Grid point 2 (3/288) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 9.944 5.741 28.031) 30.291 1.199 ( 18.271 10.549 21.578) 30.178 2.201 ( 11.953 6.901 50.048) 51.917 3.577 ( -14.750 -8.516 5.606) 17.930 3.900 ( 6.133 3.541 -1.711) 7.285 4.034 ( 9.676 5.587 1.710) 11.303 5.158 ( 0.356 0.206 2.188) 2.226 5.185 ( 3.302 1.906 -0.561) 3.854 5.661 ( -6.447 -3.722 -0.063) 7.444 5.843 ( 1.376 0.794 -0.048) 1.589 6.076 ( -26.705 -15.418 21.658) 37.682 6.086 ( 5.809 3.354 -2.731) 7.243 7.031 ( -2.070 -1.195 -0.736) 2.501 7.357 ( 5.206 3.005 -7.840) 9.879 7.695 ( 0.071 0.041 -0.901) 0.905 7.784 ( 5.798 3.347 -1.915) 6.963 7.997 ( 19.034 10.989 -6.492) 22.917 8.213 ( -3.162 -1.825 -10.138) 10.775 8.519 ( -0.633 -0.366 -1.934) 2.067 8.555 ( 1.115 0.644 -0.626) 1.432 9.083 ( 6.897 3.982 -0.647) 7.991 22.612 ( -0.474 -0.273 1.853) 1.932 22.617 ( 0.286 0.165 1.637) 1.669 23.030 ( -7.638 -4.410 2.526) 9.174 31.341 ( 0.533 0.308 -0.436) 0.754 31.622 ( -0.228 -0.131 -1.898) 1.916 31.630 ( 0.003 0.001 -1.637) 1.637 40.531 ( -0.467 -0.270 -1.220) 1.334 40.547 ( 0.141 0.082 -0.487) 0.514 40.815 ( -2.856 -1.649 -0.887) 3.415 41.432 ( -6.779 -3.914 3.276) 8.485 41.582 ( -0.591 -0.341 -0.681) 0.964 41.684 ( 3.841 2.217 -2.719) 5.202 47.182 ( -6.001 -3.465 3.846) 7.925 47.211 ( -2.758 -1.592 -2.860) 4.281 48.092 ( 42.324 24.436 -21.563) 53.417 87.563 ( -0.109 -0.063 0.245) 0.275 87.566 ( 0.112 0.065 0.342) 0.366 87.596 ( -0.828 -0.478 0.988) 1.375======================= Grid point 3 (4/288) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 14.335 8.276 18.215) 24.613 1.741 ( 10.120 5.843 27.032) 29.450 3.100 ( 6.216 3.589 41.103) 41.725 3.573 ( -12.651 -7.304 8.010) 16.660 3.935 ( 7.990 4.613 -1.054) 9.286 4.139 ( 5.946 3.433 1.802) 7.098 5.147 ( 3.828 2.210 -6.561) 7.911 5.203 ( 3.113 1.797 1.269) 3.812 5.658 ( -6.728 -3.884 5.914) 9.764 5.816 ( -1.253 -0.723 -2.660) 3.028 6.117 ( 8.923 5.152 -1.815) 10.462 6.227 ( -16.073 -9.280 16.537) 24.858 6.991 ( -3.579 -2.066 -0.975) 4.246 7.263 ( -4.616 -2.665 -2.936) 6.086 7.680 ( 0.491 0.284 -1.064) 1.206 7.763 ( 3.883 2.242 -5.141) 6.822 7.970 ( -3.532 -2.039 -13.621) 14.218 8.065 ( 16.187 9.346 -4.268) 19.172 8.477 ( -1.502 -0.867 -1.498) 2.292 8.556 ( 0.337 0.194 0.105) 0.403 9.159 ( 4.752 2.743 3.219) 6.361 22.647 ( -0.394 -0.228 2.599) 2.639 22.654 ( 0.316 0.183 2.275) 2.304 23.002 ( -4.728 -2.730 0.639) 5.497 31.338 ( 0.750 0.433 -0.480) 0.990 31.581 ( -0.369 -0.213 -2.412) 2.449 31.598 ( -0.061 -0.035 -1.922) 1.924 40.503 ( -0.575 -0.332 -1.392) 1.542 40.542 ( 0.391 0.226 -0.286) 0.535 40.763 ( -2.228 -1.287 -2.356) 3.489 41.430 ( -3.570 -2.061 1.812) 4.503 41.562 ( -0.751 -0.434 -0.833) 1.203 41.666 ( 2.733 1.578 -2.676) 4.138 47.122 ( -3.620 -2.090 -3.746) 5.613 47.205 ( -4.515 -2.607 4.110) 6.639 48.090 ( 29.092 16.796 -15.024) 36.799 87.566 ( -0.146 -0.085 0.316) 0.358 87.574 ( 0.182 0.105 0.454) 0.500 87.607 ( -0.663 -0.383 0.991) 1.252======================= Grid point 4 (5/288) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.092 ( 9.396 5.425 13.602) 17.399 2.284 ( 9.539 5.507 23.756) 26.185 3.634 ( -9.449 -5.456 10.025) 14.818 3.683 ( -0.313 -0.181 17.907) 17.911 4.075 ( 9.657 5.576 11.439) 15.975 4.195 ( 1.837 1.061 0.435) 2.166 5.068 ( 5.008 2.892 -5.818) 8.203 5.262 ( 6.044 3.490 0.594) 7.005 5.706 ( -5.728 -3.307 4.836) 8.193 5.750 ( -0.667 -0.385 -3.032) 3.128 6.162 ( 7.683 4.436 -1.875) 9.067 6.363 ( -8.315 -4.801 11.162) 14.723 6.924 ( -4.957 -2.862 -2.422) 6.216 7.169 ( -9.081 -5.243 -0.905) 10.525 7.660 ( -1.176 -0.679 -4.779) 4.968 7.684 ( -1.693 -0.977 -11.700) 11.862 7.697 ( 2.937 1.696 -4.869) 5.934 8.120 ( 12.692 7.328 -4.360) 15.290 8.450 ( -1.708 -0.986 0.298) 1.995 8.567 ( -0.392 -0.226 1.190) 1.274 9.275 ( 3.585 2.070 5.363) 6.775 22.694 ( -0.178 -0.103 2.913) 2.921 22.701 ( 0.280 0.162 2.645) 2.665 22.969 ( -3.023 -1.745 -0.410) 3.514 31.338 ( 0.898 0.519 -0.354) 1.096 31.532 ( -0.518 -0.299 -2.517) 2.587 31.563 ( -0.059 -0.034 -1.827) 1.828 40.473 ( -0.565 -0.326 -1.460) 1.598 40.544 ( 0.609 0.351 0.014) 0.703 40.696 ( -1.738 -1.004 -3.107) 3.699 41.432 ( -2.069 -1.195 1.194) 2.671 41.541 ( -0.745 -0.430 -0.753) 1.143 41.640 ( 1.936 1.118 -2.606) 3.433 47.019 ( -3.819 -2.205 -3.948) 5.919 47.247 ( -3.596 -2.076 4.754) 6.312 48.083 ( 21.303 12.300 -11.348) 27.090 87.571 ( -0.157 -0.091 0.329) 0.376 87.585 ( 0.224 0.129 0.504) 0.567 87.618 ( -0.591 -0.341 0.877) 1.111======================= Grid point 5 (6/288) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( 4.538 2.620 8.227) 9.754 2.735 ( 8.036 4.640 17.683) 19.970 3.746 ( -6.757 -3.901 10.247) 12.879 3.819 ( 2.744 1.584 1.521) 3.515 4.195 ( -0.484 -0.280 -0.689) 0.887 4.422 ( 2.046 1.181 16.407) 16.576 5.049 ( 6.048 3.492 -1.872) 7.231 5.317 ( 6.645 3.836 -1.399) 7.799 5.708 ( -4.496 -2.596 0.610) 5.228 5.722 ( 1.571 0.907 0.025) 1.815 6.184 ( 4.087 2.360 -1.819) 5.058 6.477 ( -2.193 -1.266 7.206) 7.638 6.822 ( -4.415 -2.549 -3.705) 6.302 7.059 ( -9.881 -5.705 -1.873) 11.562 7.375 ( -4.228 -2.441 -14.389) 15.195 7.654 ( 1.129 0.652 -1.322) 1.856 7.667 ( 2.193 1.266 -1.086) 2.755 8.142 ( 8.759 5.057 -3.899) 10.839 8.457 ( -1.300 -0.750 1.879) 2.405 8.586 ( -0.835 -0.482 1.311) 1.628 9.399 ( 2.428 1.402 5.137) 5.852 22.743 ( 0.012 0.007 2.557) 2.557 22.751 ( 0.202 0.117 2.633) 2.644 22.934 ( -1.795 -1.036 -1.015) 2.308 31.343 ( 0.935 0.540 -0.077) 1.083 31.485 ( -0.630 -0.364 -2.211) 2.328 31.534 ( -0.034 -0.020 -1.403) 1.403 40.442 ( -0.520 -0.300 -1.338) 1.467 40.552 ( 0.632 0.365 0.191) 0.754 40.628 ( -1.150 -0.664 -2.880) 3.171 41.435 ( -1.269 -0.732 0.825) 1.681 41.524 ( -0.576 -0.333 -0.505) 0.835 41.611 ( 1.267 0.731 -2.173) 2.620 46.921 ( -3.206 -1.851 -3.316) 4.970 47.304 ( -2.762 -1.595 4.732) 5.707 48.072 ( 14.709 8.492 -8.205) 18.863 87.575 ( -0.133 -0.077 0.274) 0.314 87.596 ( 0.233 0.135 0.452) 0.526 87.626 ( -0.502 -0.290 0.638) 0.862======================= Grid point 6 (7/288) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( 1.368 0.790 3.457) 3.801 3.040 ( 5.316 3.069 9.526) 11.332 3.844 ( -5.184 -2.993 6.080) 8.532 3.856 ( 2.901 1.675 0.136) 3.352 4.183 ( 0.065 0.037 -0.005) 0.075 4.635 ( -1.129 -0.652 7.541) 7.653 5.096 ( 4.528 2.614 0.947) 5.313 5.326 ( 3.910 2.257 -2.593) 5.206 5.663 ( -2.773 -1.601 -1.329) 3.467 5.786 ( 4.157 2.400 3.683) 6.050 6.156 ( -1.424 -0.822 -3.027) 3.445 6.574 ( 1.442 0.833 3.762) 4.114 6.752 ( -0.326 -0.188 -0.780) 0.866 6.941 ( -7.373 -4.257 -1.931) 8.730 7.107 ( -4.141 -2.391 -10.967) 11.964 7.643 ( 0.687 0.397 -0.768) 1.105 7.684 ( 1.121 0.647 0.801) 1.523 8.149 ( 4.733 2.733 -2.018) 5.826 8.482 ( -0.664 -0.383 1.657) 1.826 8.594 ( -0.870 -0.502 0.575) 1.158 9.490 ( 1.209 0.698 3.027) 3.333 22.781 ( 0.065 0.037 1.501) 1.503 22.795 ( 0.136 0.079 2.072) 2.078 22.902 ( -0.861 -0.497 -1.200) 1.558 31.352 ( 0.744 0.429 0.196) 0.881 31.446 ( -0.575 -0.332 -1.460) 1.604 31.514 ( -0.012 -0.007 -0.755) 0.755 40.418 ( -0.344 -0.198 -0.848) 0.936 40.560 ( 0.402 0.232 0.165) 0.493 40.579 ( -0.544 -0.314 -1.711) 1.822 41.438 ( -0.658 -0.380 0.454) 0.885 41.513 ( -0.307 -0.177 -0.230) 0.422 41.589 ( 0.649 0.375 -1.264) 1.470 46.850 ( -1.834 -1.059 -1.899) 2.844 47.356 ( -1.629 -0.940 3.132) 3.654 48.060 ( 7.736 4.466 -4.517) 10.010 87.578 ( -0.077 -0.044 0.156) 0.180 87.604 ( 0.170 0.098 0.276) 0.339 87.631 ( -0.317 -0.183 0.326) 0.491======================= Grid point 7 (8/288) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.885 ( -0.000 -0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 9.523 ( 0.000 0.000 0.000) 0.000 22.795 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 0.000) 0.000 22.884 ( 0.000 0.000 0.000) 0.000 31.358 ( 0.000 0.000 0.000) 0.000 31.429 ( 0.000 0.000 0.000) 0.000 31.507 ( 0.000 0.000 0.000) 0.000 40.409 ( 0.000 0.000 0.000) 0.000 40.561 ( 0.000 0.000 0.000) 0.000 40.564 ( 0.000 0.000 0.000) 0.000 41.439 ( 0.000 0.000 0.000) 0.000 41.510 ( 0.000 0.000 0.000) 0.000 41.580 ( 0.000 0.000 0.000) 0.000 46.825 ( 0.000 0.000 0.000) 0.000 47.378 ( 0.000 0.000 0.000) 0.000 48.054 ( 0.000 0.000 0.000) 0.000 87.579 ( 0.000 0.000 0.000) 0.000 87.607 ( 0.000 0.000 0.000) 0.000 87.633 ( -0.000 -0.000 0.000) 0.000======================= Grid point 16 (9/288) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.000 1.440 27.902) 27.940 1.113 ( -0.000 13.808 28.082) 31.293 2.119 ( 0.000 8.273 53.477) 54.113 3.705 ( 0.000 -16.361 4.641) 17.006 3.859 ( -0.000 3.948 -0.519) 3.982 3.939 ( -0.000 13.046 2.000) 13.198 5.154 ( 0.000 -0.199 -0.135) 0.240 5.163 ( -0.000 1.821 1.368) 2.278 5.713 ( 0.000 -8.013 0.428) 8.025 5.824 ( -0.000 5.893 0.861) 5.956 6.044 ( -0.000 2.360 -4.064) 4.699 6.344 ( 0.000 -32.808 16.213) 36.595 7.067 ( -0.000 0.479 -0.229) 0.531 7.203 ( -0.000 25.043 -6.480) 25.868 7.710 ( -0.000 2.450 -0.824) 2.585 7.724 ( -0.000 2.669 -0.357) 2.693 7.874 ( -0.000 6.414 -1.717) 6.640 8.235 ( -0.000 -1.677 -10.566) 10.698 8.530 ( -0.000 -0.050 -1.202) 1.203 8.539 ( -0.000 0.588 -0.863) 1.045 9.035 ( -0.000 2.545 2.287) 3.422 22.611 ( 0.000 -0.609 1.676) 1.783 22.618 ( -0.000 0.674 1.732) 1.859 23.090 ( 0.000 -5.608 -0.235) 5.613 31.337 ( -0.000 0.302 -0.428) 0.523 31.624 ( -0.000 -0.455 -1.834) 1.890 31.630 ( -0.000 0.383 -1.665) 1.708 40.535 ( 0.000 -0.895 -1.001) 1.343 40.546 ( -0.000 0.658 -0.731) 0.984 40.837 ( 0.000 -2.341 -1.581) 2.825 41.501 ( 0.000 -9.179 1.229) 9.261 41.588 ( -0.000 -0.142 -0.681) 0.696 41.639 ( -0.000 6.530 -2.469) 6.981 47.214 ( 0.000 -5.757 0.223) 5.761 47.284 ( -0.000 3.049 -1.051) 3.225 47.724 ( -0.000 28.578 -7.739) 29.608 87.564 ( 0.000 -0.068 0.266) 0.275 87.565 ( 0.000 0.058 0.308) 0.313 87.602 ( 0.000 -0.598 0.754) 0.962======================= Grid point 17 (10/288) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( 6.839 0.044 25.038) 25.956 1.663 ( 2.670 12.518 26.829) 29.726 3.039 ( 2.489 5.273 45.250) 45.624 3.703 ( -5.211 -13.118 4.802) 14.910 3.876 ( 0.644 6.175 -0.063) 6.209 4.058 ( 4.900 7.083 3.803) 9.415 5.105 ( 1.794 -2.428 -5.147) 5.967 5.181 ( 0.664 5.047 -0.748) 5.145 5.718 ( -2.009 -7.116 4.020) 8.416 5.851 ( -3.537 3.222 -0.019) 4.785 6.006 ( 6.401 5.299 -3.149) 8.887 6.449 ( -12.634 -19.966 13.265) 27.096 7.043 ( -4.202 -0.478 -0.290) 4.239 7.225 ( 8.161 6.259 -3.238) 10.783 7.685 ( -2.671 1.269 -1.278) 3.222 7.736 ( 2.007 4.876 -2.414) 5.800 7.883 ( 8.187 6.846 -2.894) 11.057 8.002 ( -1.206 -1.805 -14.077) 14.243 8.501 ( -1.972 -0.368 -0.853) 2.180 8.539 ( 1.835 0.513 -0.135) 1.910 9.116 ( 1.552 0.379 5.377) 5.609 22.645 ( 0.197 -0.829 2.360) 2.509 22.657 ( -0.236 1.012 2.373) 2.591 23.051 ( -2.090 -3.387 -1.009) 4.106 31.332 ( 0.256 0.414 -0.452) 0.664 31.584 ( -0.124 -0.660 -2.296) 2.393 31.598 ( -0.006 0.475 -2.039) 2.094 40.510 ( -0.335 -1.167 -1.173) 1.689 40.537 ( 0.282 0.623 -0.608) 0.915 40.786 ( -0.974 -1.765 -2.745) 3.406 41.478 ( -2.708 -4.139 0.697) 4.995 41.571 ( -0.448 -0.197 -0.980) 1.096 41.627 ( 2.390 3.597 -2.371) 4.926 47.177 ( -3.202 -0.279 -2.461) 4.048 47.260 ( -3.516 2.103 0.213) 4.103 47.764 ( 15.815 13.794 -5.363) 21.660 87.568 ( -0.112 -0.090 0.336) 0.366 87.572 ( 0.126 0.096 0.426) 0.454 87.613 ( -0.271 -0.458 0.861) 1.012======================= Grid point 18 (11/288) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 5.902 -0.305 19.697) 20.564 2.186 ( 4.793 9.676 24.078) 26.389 3.692 ( -2.251 -4.829 14.965) 15.885 3.739 ( -3.543 -5.174 12.851) 14.300 3.973 ( 4.203 9.214 12.522) 16.105 4.165 ( 2.592 2.152 2.942) 4.473 5.010 ( 3.202 -3.520 -5.129) 6.997 5.201 ( 2.960 7.204 -0.722) 7.822 5.734 ( -0.163 -6.200 0.327) 6.210 5.817 ( -7.140 3.142 0.536) 7.819 6.051 ( 8.439 5.908 -1.109) 10.361 6.497 ( -10.169 -12.145 8.145) 17.812 6.992 ( -5.516 -3.425 -1.277) 6.618 7.231 ( 1.673 -1.381 -1.145) 2.453 7.633 ( -0.842 -2.253 -3.271) 4.060 7.704 ( -0.948 6.025 -4.201) 7.406 7.720 ( -2.141 -0.061 -14.060) 14.222 7.933 ( 13.512 7.979 -3.691) 16.121 8.480 ( -2.608 -0.522 0.560) 2.718 8.561 ( 1.456 0.338 1.065) 1.835 9.242 ( 1.394 -0.981 7.571) 7.760 22.690 ( 0.370 -0.950 2.767) 2.949 22.705 ( -0.339 1.256 2.665) 2.966 23.004 ( -1.983 -2.187 -1.479) 3.302 31.329 ( 0.467 0.478 -0.288) 0.728 31.538 ( -0.279 -0.742 -2.389) 2.517 31.564 ( 0.003 0.478 -1.984) 2.040 40.481 ( -0.614 -1.237 -1.166) 1.808 40.534 ( 0.779 0.205 -0.310) 0.864 40.717 ( -1.278 -0.933 -3.434) 3.781 41.462 ( -2.177 -1.939 0.648) 2.986 41.549 ( -0.313 -0.361 -1.041) 1.145 41.612 ( 1.949 2.324 -2.276) 3.792 47.086 ( -5.915 0.991 -3.924) 7.167 47.272 ( 0.217 1.274 1.276) 1.817 47.832 ( 14.528 7.645 -3.333) 16.752 87.573 ( -0.161 -0.114 0.343) 0.396 87.582 ( 0.202 0.132 0.475) 0.533 87.624 ( -0.357 -0.413 0.795) 0.965======================= Grid point 19 (12/288) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.302 ( 2.277 -0.902 12.953) 13.182 2.637 ( 6.096 6.944 18.426) 20.613 3.762 ( 1.799 -7.616 4.033) 8.804 3.860 ( -5.829 3.677 5.578) 8.867 4.199 ( -0.189 -1.285 0.696) 1.474 4.395 ( 1.821 3.098 19.838) 20.161 4.965 ( 5.854 -4.855 -1.285) 7.713 5.248 ( 3.677 8.057 -0.222) 8.860 5.701 ( 0.573 -2.406 -0.876) 2.624 5.792 ( -6.655 1.094 0.277) 6.750 6.109 ( 6.633 5.420 -0.705) 8.595 6.518 ( -3.320 -7.604 4.002) 9.212 6.893 ( -6.859 -5.293 -2.912) 9.140 7.183 ( -6.247 -1.245 -2.240) 6.752 7.419 ( -2.236 -2.540 -14.648) 15.033 7.582 ( 3.711 -4.579 -2.228) 6.301 7.693 ( -1.716 9.185 -1.203) 9.421 7.984 ( 13.274 8.018 -4.299) 16.092 8.483 ( -2.468 -0.439 1.858) 3.120 8.593 ( 0.240 -0.088 1.601) 1.621 9.380 ( 0.470 -2.099 7.581) 7.880 22.738 ( 0.413 -0.900 2.693) 2.870 22.754 ( -0.310 1.245 2.460) 2.775 22.957 ( -1.405 -1.355 -1.782) 2.643 31.332 ( 0.593 0.479 0.059) 0.765 31.492 ( -0.440 -0.770 -2.115) 2.294 31.534 ( 0.044 0.455 -1.565) 1.630 40.452 ( -0.808 -1.228 -1.023) 1.791 40.537 ( 1.412 -0.905 -0.159) 1.684 40.647 ( -1.441 0.543 -3.088) 3.451 41.455 ( -1.590 -1.052 0.543) 1.982 41.528 ( -0.022 -0.483 -0.898) 1.020 41.594 ( 1.219 1.771 -1.835) 2.826 46.980 ( -5.491 0.499 -3.790) 6.690 47.307 ( 2.560 1.994 0.668) 3.313 47.903 ( 9.602 3.559 -0.220) 10.242 87.577 ( -0.171 -0.123 0.279) 0.349 87.592 ( 0.260 0.153 0.423) 0.520 87.632 ( -0.382 -0.389 0.565) 0.785======================= Grid point 20 (13/288) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( -0.731 -1.492 6.389) 6.601 2.961 ( 5.941 4.906 10.713) 13.196 3.817 ( 2.111 -4.540 3.459) 6.086 3.928 ( -6.127 0.819 4.397) 7.586 4.184 ( -0.040 -0.126 -1.024) 1.032 4.650 ( -1.070 -0.927 8.311) 8.431 5.005 ( 7.918 -7.503 2.710) 11.240 5.297 ( 1.097 7.663 0.415) 7.752 5.697 ( -0.685 -3.708 0.115) 3.772 5.767 ( -2.930 5.321 1.396) 6.233 6.146 ( 2.883 2.805 -1.321) 4.234 6.541 ( 3.618 -5.930 1.536) 7.115 6.785 ( -5.837 -2.590 -1.564) 6.575 7.068 ( -9.482 0.244 -3.819) 10.225 7.158 ( -3.335 -1.380 -11.312) 11.874 7.575 ( 6.305 -6.685 -0.403) 9.198 7.707 ( -1.745 8.590 -0.091) 8.766 8.030 ( 11.625 8.235 -3.462) 14.661 8.500 ( -1.876 -0.323 1.581) 2.475 8.613 ( -1.238 -0.657 1.173) 1.828 9.488 ( -0.806 -3.019 5.591) 6.405 22.779 ( 0.128 -0.468 1.837) 1.900 22.795 ( -0.046 0.655 1.826) 1.941 22.913 ( -0.727 -0.614 -1.817) 2.051 31.343 ( 0.553 0.387 0.498) 0.839 31.453 ( -0.504 -0.745 -1.504) 1.752 31.514 ( 0.086 0.434 -0.908) 1.010 40.426 ( -0.802 -1.140 -0.635) 1.531 40.536 ( 2.132 -2.991 -0.427) 3.698 40.601 ( -1.777 2.870 -1.490) 3.690 41.449 ( -1.065 -0.571 0.190) 1.223 41.514 ( 0.319 -0.543 -0.633) 0.893 41.581 ( 0.490 1.435 -0.910) 1.768 46.890 ( -4.043 0.476 -2.698) 4.884 47.337 ( 4.505 2.895 -1.381) 5.530 47.984 ( 3.308 -0.371 3.806) 5.056 87.579 ( -0.144 -0.107 0.151) 0.235 87.601 ( 0.291 0.152 0.257) 0.417 87.636 ( -0.334 -0.341 0.236) 0.533======================= Grid point 21 (14/288) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( -2.235 -1.674 2.005) 3.438 3.127 ( 3.344 2.488 2.494) 4.858 3.861 ( 0.199 -5.291 0.781) 5.352 3.910 ( -4.350 0.884 -0.607) 4.480 4.186 ( 0.428 0.626 0.486) 0.900 4.698 ( -0.841 -1.267 -0.797) 1.717 5.078 ( 6.287 -11.030 3.540) 13.180 5.345 ( -2.636 5.796 2.805) 6.957 5.661 ( -3.755 -0.425 -0.312) 3.792 5.847 ( 1.817 4.612 3.489) 6.062 6.107 ( -1.038 -0.782 -3.176) 3.432 6.579 ( 5.860 -4.125 1.049) 7.243 6.756 ( -1.267 -2.255 0.940) 2.752 6.957 ( -6.808 4.602 -1.974) 8.451 6.981 ( -3.184 0.506 -5.075) 6.012 7.588 ( 5.688 -7.107 0.119) 9.104 7.724 ( -1.805 7.023 -0.245) 7.255 8.084 ( 9.111 7.710 -1.940) 12.093 8.504 ( -1.153 -0.211 -0.039) 1.172 8.614 ( -2.229 -0.961 0.703) 2.527 9.538 ( -2.114 -3.782 2.571) 5.038 22.796 ( -0.194 -0.077 0.142) 0.253 22.817 ( 0.074 -0.167 0.224) 0.289 22.884 ( 0.036 0.217 -0.777) 0.807 31.358 ( 0.086 0.084 0.668) 0.679 31.430 ( -0.187 -0.536 -0.399) 0.694 31.507 ( 0.111 0.428 -0.146) 0.466 40.412 ( -0.521 -0.946 0.117) 1.087 40.531 ( 2.325 -3.812 -0.104) 4.466 40.590 ( -1.835 3.757 -0.130) 4.184 41.442 ( -0.423 -0.155 -0.326) 0.556 41.506 ( 0.529 -0.372 -0.309) 0.717 41.581 ( -0.126 1.001 0.297) 1.052 46.839 ( -2.156 1.172 -0.910) 2.618 47.337 ( 5.688 3.513 -3.969) 7.775 48.079 ( -3.261 -4.309 7.818) 9.504 87.580 ( -0.086 -0.067 -0.011) 0.110 87.606 ( 0.255 0.112 -0.001) 0.278 87.634 ( -0.176 -0.235 -0.114) 0.315======================= Grid point 22 (15/288) =======================q-point: (-0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( -3.601 -2.326 -0.727) 4.348 3.095 ( -2.596 -1.213 -7.017) 7.579 3.774 ( 4.538 0.037 -8.501) 9.637 3.915 ( -5.165 -2.619 2.633) 6.362 4.189 ( -0.938 0.223 -0.013) 0.965 4.620 ( 1.144 -0.154 -7.599) 7.686 5.116 ( 0.995 -12.877 3.186) 13.302 5.400 ( -5.906 2.815 4.400) 7.885 5.650 ( -1.421 1.259 0.767) 2.047 5.851 ( -4.827 0.687 -3.264) 5.867 6.114 ( 4.203 2.074 3.108) 5.624 6.585 ( 0.459 -2.452 -2.681) 3.662 6.728 ( 2.391 -7.114 -1.127) 7.589 6.913 ( -2.721 10.264 -0.918) 10.658 7.050 ( 4.035 3.224 9.125) 10.485 7.599 ( 4.670 -7.635 0.506) 8.964 7.729 ( -2.851 6.555 -0.288) 7.153 8.140 ( 5.584 5.289 -0.278) 7.696 8.482 ( -0.501 0.080 -1.593) 1.672 8.605 ( -2.323 -0.860 0.462) 2.520 9.521 ( -3.296 -4.484 -0.517) 5.589 22.780 ( 0.180 -0.768 -1.728) 1.899 22.800 ( -0.588 0.603 -1.693) 1.891 22.890 ( 0.920 0.491 0.552) 1.180 31.363 ( -0.833 -0.449 0.253) 0.980 31.438 ( 0.565 -0.108 1.274) 1.397 31.513 ( 0.124 0.449 0.606) 0.764 40.417 ( -0.145 -0.731 1.003) 1.250 40.538 ( 2.305 -3.727 0.632) 4.428 40.596 ( -1.747 3.672 0.638) 4.116 41.432 ( 0.244 0.196 -0.729) 0.793 41.507 ( 0.645 0.066 -0.040) 0.649 41.597 ( -0.576 0.460 1.439) 1.617 46.840 ( -0.291 2.410 1.138) 2.681 47.302 ( 5.917 3.688 -5.839) 9.094 48.180 ( -9.455 -8.039 11.096) 16.647 87.577 ( -0.011 -0.014 -0.167) 0.168 87.605 ( 0.113 0.020 -0.281) 0.303 87.628 ( 0.110 -0.060 -0.433) 0.451======================= Grid point 23 (16/288) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.424 ( -6.619 -4.629 -3.787) 8.921 2.845 ( -7.804 -3.330 -15.641) 17.794 3.638 ( 8.416 0.937 -11.906) 14.610 3.882 ( -5.964 -1.018 -2.078) 6.397 4.188 ( 0.346 -0.889 0.431) 1.046 4.447 ( -1.535 0.350 -11.526) 11.633 5.117 ( -3.898 -12.122 4.188) 13.404 5.422 ( -8.032 0.039 2.015) 8.281 5.658 ( 1.745 0.408 -1.125) 2.115 5.767 ( -4.401 2.368 -1.556) 5.234 6.208 ( 0.959 1.172 3.436) 3.755 6.468 ( -0.996 -0.599 -8.486) 8.565 6.748 ( 6.820 -6.573 2.811) 9.880 6.962 ( 3.551 12.356 0.080) 12.857 7.304 ( 6.220 2.298 13.352) 14.909 7.616 ( 3.164 -7.534 2.042) 8.422 7.735 ( -4.218 6.347 1.109) 7.701 8.192 ( 1.577 1.549 1.923) 2.930 8.450 ( -0.119 0.740 -1.675) 1.835 8.590 ( -2.067 -0.787 -0.126) 2.215 9.446 ( -4.297 -5.123 -2.785) 7.243 22.737 ( 0.649 -1.278 -2.765) 3.114 22.761 ( -1.068 1.342 -2.433) 2.977 22.910 ( 1.812 0.724 0.254) 1.967 31.357 ( -1.202 -0.624 0.273) 1.382 31.475 ( 0.790 -0.033 2.250) 2.385 31.533 ( 0.130 0.505 1.248) 1.352 40.438 ( 0.127 -0.600 1.572) 1.688 40.548 ( 1.275 -2.605 0.327) 2.918 40.623 ( -0.457 2.644 1.945) 3.314 41.421 ( 0.803 0.527 -1.051) 1.424 41.514 ( 0.806 0.471 0.231) 0.962 41.626 ( -0.941 -0.009 2.265) 2.453 46.892 ( 1.089 3.860 2.924) 4.963 47.245 ( 5.633 3.626 -6.444) 9.295 48.280 ( -15.338 -11.500 13.895) 23.676 87.574 ( 0.060 0.040 -0.279) 0.288 87.598 ( -0.058 -0.077 -0.475) 0.485 87.620 ( 0.418 0.117 -0.716) 0.837======================= Grid point 24 (17/288) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( -11.159 -9.592 -8.485) 16.986 2.434 ( -12.147 -2.501 -20.961) 24.355 3.489 ( 11.270 1.803 -12.402) 16.854 3.697 ( -2.018 1.384 -17.996) 18.161 4.173 ( -2.173 -6.584 -2.288) 7.301 4.254 ( -9.147 2.602 -2.781) 9.908 5.137 ( -4.952 -10.377 6.617) 13.266 5.361 ( -8.151 0.098 -1.981) 8.389 5.625 ( 5.320 0.858 -5.679) 7.829 5.764 ( -2.143 3.374 1.792) 4.381 6.243 ( -2.708 -2.575 0.322) 3.751 6.295 ( 0.554 2.327 -9.937) 10.221 6.844 ( 7.580 -2.999 3.784) 8.987 7.038 ( 8.651 10.012 -1.085) 13.276 7.589 ( 7.181 0.056 10.473) 12.698 7.668 ( 0.812 -3.941 6.651) 7.773 7.771 ( -5.400 4.692 4.461) 8.431 8.236 ( -3.221 -2.478 3.676) 5.480 8.438 ( -0.028 1.330 0.100) 1.334 8.568 ( -1.473 -0.633 -0.559) 1.697 9.336 ( -5.095 -5.599 -3.243) 8.236 22.685 ( 0.892 -1.238 -3.029) 3.392 22.713 ( -1.165 1.477 -2.680) 3.274 22.927 ( 3.048 1.203 -0.628) 3.337 31.353 ( -1.258 -0.585 0.459) 1.461 31.524 ( 0.766 -0.162 2.603) 2.718 31.562 ( 0.124 0.592 1.678) 1.783 40.467 ( 0.299 -0.551 1.677) 1.790 40.547 ( 0.215 -1.144 0.026) 1.164 40.675 ( 1.130 1.431 2.544) 3.130 41.409 ( 1.367 0.875 -1.513) 2.219 41.529 ( 0.975 0.696 0.527) 1.308 41.662 ( -1.316 -0.370 2.627) 2.961 46.982 ( 1.688 5.170 4.010) 6.757 47.185 ( 5.321 3.581 -5.931) 8.735 48.378 ( -21.425 -14.707 17.100) 31.109 87.569 ( 0.110 0.080 -0.324) 0.352 87.587 ( -0.148 -0.123 -0.532) 0.566 87.609 ( 0.625 0.227 -0.950) 1.159======================= Grid point 25 (18/288) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( -12.194 -13.775 -20.035) 27.200 1.970 ( -19.870 -1.730 -16.907) 26.146 3.192 ( -6.690 -1.155 -34.082) 34.752 3.388 ( 13.988 3.977 -10.352) 17.851 4.075 ( -11.698 -4.765 1.144) 12.683 4.212 ( -5.354 -0.578 0.021) 5.385 5.191 ( -2.643 -8.470 5.128) 10.249 5.274 ( -6.910 1.853 -1.425) 7.295 5.550 ( 8.369 2.820 -7.523) 11.601 5.807 ( 0.337 2.118 1.936) 2.889 6.065 ( 7.218 2.864 -16.686) 18.405 6.240 ( -8.622 -2.571 1.524) 9.126 6.941 ( 4.192 1.006 2.797) 5.139 7.135 ( 12.485 5.898 0.926) 13.839 7.674 ( 1.183 -2.512 1.761) 3.288 7.838 ( -5.540 0.640 6.314) 8.425 7.912 ( 4.342 2.107 12.529) 13.427 8.254 ( -9.687 -5.540 5.173) 12.300 8.464 ( 0.087 1.010 2.187) 2.411 8.555 ( -0.357 -0.181 0.110) 0.415 9.235 ( -6.017 -5.954 -0.806) 8.503 22.636 ( 1.085 -0.850 -2.731) 3.059 22.665 ( -1.087 1.262 -2.371) 2.898 22.935 ( 4.822 1.841 -2.224) 5.621 31.352 ( -1.185 -0.471 0.536) 1.383 31.574 ( 0.702 -0.322 2.495) 2.611 31.596 ( 0.085 0.664 1.801) 1.921 40.496 ( 0.489 -0.511 1.528) 1.684 40.546 ( -0.127 -0.204 0.113) 0.266 40.732 ( 2.179 0.817 1.923) 3.019 41.391 ( 2.209 1.252 -2.364) 3.469 41.550 ( 1.034 0.745 0.703) 1.456 41.696 ( -1.680 -0.639 2.512) 3.089 47.089 ( 1.801 5.910 3.921) 7.318 47.139 ( 4.793 3.719 -4.589) 7.607 48.490 ( -28.743 -17.550 22.277) 40.379 87.565 ( 0.132 0.094 -0.305) 0.345 87.577 ( -0.166 -0.132 -0.481) 0.526 87.597 ( 0.764 0.282 -1.102) 1.371======================= Grid point 26 (19/288) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( -14.646 -8.968 -24.018) 29.526 1.507 ( -24.303 -8.208 -17.295) 30.937 2.424 ( -19.985 -3.583 -39.983) 44.843 3.358 ( 17.011 4.496 -6.908) 18.902 4.015 ( -10.529 -3.529 2.150) 11.311 4.156 ( -8.110 -1.841 -0.581) 8.336 5.163 ( -0.124 -0.893 -3.300) 3.421 5.240 ( -4.079 -2.193 -0.882) 4.714 5.549 ( 9.807 3.074 -0.585) 10.294 5.778 ( 11.894 -1.190 -15.540) 19.606 5.874 ( 0.414 7.630 -4.377) 8.806 6.188 ( -8.646 -3.336 1.037) 9.325 7.007 ( 1.567 2.473 1.881) 3.480 7.288 ( 12.184 3.932 4.434) 13.549 7.698 ( -0.258 -0.849 1.512) 1.753 7.874 ( -7.212 -1.904 2.673) 7.924 8.150 ( 5.753 1.372 9.123) 10.873 8.267 ( -16.000 -5.950 9.548) 19.560 8.514 ( -0.010 0.172 2.877) 2.882 8.563 ( -0.367 -0.183 0.908) 0.997 9.200 ( -8.984 -6.634 6.056) 12.704 22.599 ( 1.204 -0.408 -1.967) 2.342 22.626 ( -0.959 0.960 -1.722) 2.192 22.921 ( 7.543 2.499 -5.405) 9.610 31.352 ( -1.027 -0.325 0.462) 1.171 31.617 ( 0.605 -0.369 1.989) 2.111 31.630 ( 0.024 0.600 1.544) 1.657 40.523 ( 0.692 -0.523 1.332) 1.590 40.549 ( -0.189 0.507 0.336) 0.637 40.772 ( 3.103 0.453 0.123) 3.139 41.361 ( 3.564 1.615 -4.045) 5.627 41.572 ( 0.938 0.634 0.642) 1.301 41.722 ( -1.865 -0.745 2.102) 2.907 47.108 ( 5.306 3.389 -3.936) 7.425 47.192 ( 0.243 6.128 3.591) 7.107 48.669 ( -39.353 -19.359 33.341) 55.091 87.561 ( 0.133 0.072 -0.236) 0.281 87.567 ( -0.112 -0.105 -0.411) 0.439 87.583 ( 0.905 0.304 -1.185) 1.522======================= Grid point 27 (20/288) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( -18.582 -6.002 -21.243) 28.854 0.959 ( -25.134 -9.922 -21.614) 34.602 1.534 ( -39.367 -4.601 -33.609) 51.966 3.404 ( 18.368 3.539 -3.396) 19.012 3.982 ( -8.557 -2.498 2.978) 9.399 4.076 ( -10.900 -1.594 -0.283) 11.019 5.107 ( 1.429 0.164 -2.974) 3.304 5.166 ( -2.347 -2.294 -2.824) 4.329 5.469 ( 20.018 6.478 -25.796) 33.289 5.700 ( 3.868 -2.637 5.127) 6.942 5.846 ( -1.534 4.104 -2.633) 5.112 6.150 ( -5.453 -1.643 1.241) 5.828 7.050 ( 0.374 2.032 1.160) 2.369 7.471 ( 10.765 3.101 5.215) 12.357 7.719 ( -1.283 0.661 1.386) 2.001 7.832 ( -6.787 -3.175 -0.134) 7.494 8.318 ( 4.648 0.464 5.692) 7.363 8.359 ( -15.421 -3.106 15.289) 21.937 8.555 ( -0.468 -0.655 1.738) 1.915 8.573 ( -1.561 -0.177 0.958) 1.841 9.326 ( -18.123 -7.547 24.694) 31.546 22.580 ( 1.112 -0.112 -0.964) 1.476 22.600 ( -0.844 0.777 -0.858) 1.432 22.841 ( 11.167 2.444 -13.134) 17.412 31.351 ( -0.808 -0.164 0.263) 0.866 31.648 ( 0.368 -0.151 1.239) 1.301 31.654 ( 0.057 0.262 0.910) 0.948 40.546 ( 0.791 -0.708 0.767) 1.310 40.561 ( -0.553 1.098 1.166) 1.695 40.770 ( 4.529 0.129 -4.106) 6.115 41.299 ( 4.506 1.453 -6.998) 8.449 41.589 ( 0.735 0.379 0.372) 0.907 41.741 ( -1.515 -0.528 1.706) 2.341 47.091 ( 4.205 2.616 -3.051) 5.817 47.264 ( -0.333 4.433 2.084) 4.910 49.088 ( -52.578 -16.397 62.291) 83.148 87.557 ( 0.421 -0.084 -0.672) 0.798 87.560 ( 0.084 0.129 -0.311) 0.347 87.569 ( 0.720 0.192 -1.029) 1.271======================= Grid point 28 (21/288) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.338 ( -24.855 0.000 0.000) 24.855 0.442 ( -32.684 0.000 0.000) 32.684 0.828 ( -59.778 0.000 0.000) 59.778 3.505 ( 17.741 -0.000 -0.000) 17.741 3.982 ( -7.176 0.000 0.000) 7.176 3.995 ( -9.080 0.000 0.000) 9.080 5.088 ( 2.248 -0.000 -0.000) 2.248 5.131 ( 1.070 -0.000 -0.000) 1.070 5.174 ( -1.534 0.000 0.000) 1.534 5.780 ( 1.365 -0.000 -0.000) 1.365 5.810 ( -0.029 0.000 0.000) 0.029 6.133 ( -2.878 0.000 0.000) 2.878 7.066 ( 0.013 -0.000 -0.000) 0.013 7.606 ( 10.350 -0.000 -0.000) 10.350 7.726 ( -1.545 0.000 0.000) 1.545 7.779 ( -5.482 0.000 0.000) 5.482 8.403 ( 4.957 -0.000 -0.000) 4.957 8.520 ( 0.680 -0.000 -0.000) 0.680 8.559 ( -1.671 0.000 0.000) 1.671 8.570 ( -2.009 0.000 0.000) 2.009 9.792 ( 3.606 -0.000 -0.000) 3.606 22.579 ( 0.705 -0.000 -0.000) 0.705 22.605 ( -0.719 0.000 0.000) 0.719 22.618 ( -0.229 0.000 0.000) 0.229 31.348 ( -0.551 0.000 0.000) 0.551 31.661 ( -0.086 0.000 0.000) 0.086 31.666 ( 0.529 -0.000 -0.000) 0.529 40.555 ( 0.521 -0.000 -0.000) 0.521 40.604 ( 0.696 -0.000 -0.000) 0.696 40.671 ( -0.835 0.000 0.000) 0.835 41.211 ( -0.723 0.000 0.000) 0.723 41.597 ( 0.499 -0.000 -0.000) 0.499 41.756 ( -0.094 0.000 0.000) 0.094 47.081 ( 1.585 -0.000 -0.000) 1.585 47.290 ( -0.226 0.000 0.000) 0.226 49.981 ( -0.679 0.000 0.000) 0.679 87.539 ( 0.017 -0.000 -0.000) 0.017 87.559 ( 0.050 -0.000 -0.000) 0.050 87.563 ( -0.039 0.000 0.000) 0.039======================= Grid point 31 (22/288) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( 0.000 -2.800 22.516) 22.690 2.154 ( -0.000 11.400 23.818) 26.406 3.729 ( 0.000 -10.637 2.754) 10.988 3.734 ( 0.000 -0.829 27.391) 27.404 3.958 ( -0.000 10.829 9.989) 14.733 4.141 ( -0.000 2.134 4.471) 4.955 4.988 ( 0.000 -5.668 -4.895) 7.489 5.182 ( -0.000 8.447 -1.246) 8.538 5.735 ( 0.000 -5.960 0.022) 5.960 5.897 ( -0.000 1.120 0.803) 1.378 5.961 ( -0.000 8.458 -0.949) 8.511 6.579 ( 0.000 -18.344 5.828) 19.248 7.058 ( 0.000 -2.449 0.406) 2.483 7.173 ( -0.000 1.916 -1.726) 2.579 7.689 ( -0.000 5.831 -2.360) 6.291 7.692 ( -0.000 2.181 -5.057) 5.507 7.737 ( -0.000 -0.101 -13.664) 13.664 7.813 ( -0.000 5.628 -3.565) 6.662 8.508 ( 0.000 -0.125 0.555) 0.569 8.540 ( -0.000 0.544 1.132) 1.256 9.234 ( 0.000 -2.146 8.431) 8.700 22.687 ( 0.000 -0.786 2.748) 2.859 22.707 ( -0.000 1.186 2.636) 2.890 23.018 ( 0.000 -2.358 -1.953) 3.062 31.326 ( -0.000 0.464 -0.266) 0.535 31.540 ( 0.000 -0.947 -2.327) 2.512 31.563 ( -0.000 0.709 -2.053) 2.172 40.486 ( 0.000 -1.808 -0.970) 2.052 40.528 ( -0.000 0.426 -0.544) 0.691 40.726 ( -0.000 -0.968 -3.559) 3.688 41.480 ( 0.000 -2.759 0.332) 2.779 41.550 ( -0.000 -0.363 -1.340) 1.389 41.597 ( -0.000 3.346 -1.884) 3.840 47.145 ( -0.000 1.738 -3.494) 3.903 47.256 ( -0.000 5.174 -2.466) 5.732 47.728 ( -0.000 3.791 1.962) 4.268 87.575 ( 0.000 -0.153 0.350) 0.382 87.580 ( -0.000 0.161 0.463) 0.490 87.627 ( 0.000 -0.439 0.759) 0.877======================= Grid point 32 (23/288) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( 0.603 -4.228 16.394) 16.941 2.579 ( 2.309 9.306 18.177) 20.550 3.744 ( 0.666 -8.080 3.267) 8.741 3.919 ( -2.442 3.562 4.886) 6.521 4.201 ( -0.096 -1.826 1.781) 2.552 4.375 ( 0.907 4.095 22.002) 22.398 4.907 ( 2.311 -8.655 -1.585) 9.097 5.215 ( 1.218 9.394 0.668) 9.496 5.699 ( -0.023 -2.608 -1.222) 2.880 5.882 ( -5.927 0.883 0.342) 6.003 6.017 ( 6.103 7.692 -0.169) 9.820 6.553 ( -1.476 -14.632 0.273) 14.709 7.012 ( -9.814 -3.187 -0.591) 10.336 7.174 ( 6.834 -1.864 -1.590) 7.260 7.439 ( -0.895 -2.352 -14.835) 15.047 7.606 ( -6.937 2.386 -3.937) 8.326 7.695 ( 2.786 7.969 -2.567) 8.824 7.821 ( 8.634 7.650 -2.697) 11.847 8.518 ( -2.166 -0.107 1.552) 2.667 8.579 ( 1.430 0.542 1.925) 2.458 9.380 ( -0.117 -4.105 8.988) 9.882 22.734 ( 0.142 -0.722 2.763) 2.859 22.757 ( -0.110 1.204 2.363) 2.654 22.970 ( -0.542 -1.548 -2.286) 2.813 31.327 ( 0.203 0.447 0.128) 0.508 31.496 ( -0.166 -1.072 -2.032) 2.304 31.533 ( 0.035 0.795 -1.677) 1.856 40.462 ( -0.546 -2.072 -0.681) 2.248 40.520 ( 0.812 -0.899 -0.588) 1.347 40.662 ( -0.590 0.802 -3.177) 3.330 41.474 ( -1.042 -1.591 0.393) 1.942 41.524 ( 0.428 -0.569 -1.404) 1.574 41.582 ( 0.474 2.729 -1.375) 3.092 47.060 ( -5.208 2.221 -4.428) 7.188 47.246 ( 4.931 5.222 -2.835) 7.721 47.820 ( 2.794 -0.752 6.096) 6.748 87.579 ( -0.106 -0.183 0.286) 0.355 87.589 ( 0.139 0.190 0.401) 0.465 87.636 ( -0.141 -0.437 0.520) 0.694======================= Grid point 33 (24/288) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.488 ( -1.406 -4.188 8.901) 9.937 2.890 ( 4.126 7.013 10.824) 13.541 3.797 ( 0.887 -6.894 5.319) 8.753 4.002 ( -4.369 2.685 4.788) 7.016 4.181 ( 0.390 -1.171 -2.769) 3.032 4.664 ( -0.893 -0.391 9.394) 9.444 4.908 ( 5.660 -11.758 3.350) 13.473 5.285 ( 0.642 7.811 2.416) 8.201 5.691 ( 0.582 -1.295 1.060) 1.772 5.847 ( -7.395 3.046 0.409) 8.008 6.084 ( 5.888 6.241 -0.236) 8.583 6.490 ( 3.181 -12.250 -1.350) 12.728 6.906 ( -11.271 -1.607 -1.389) 11.470 7.148 ( -0.665 -1.144 -5.020) 5.191 7.191 ( -1.012 -1.003 -9.975) 10.076 7.524 ( -0.891 -1.336 -1.857) 2.455 7.705 ( 3.162 7.204 -1.981) 8.113 7.875 ( 9.243 10.927 -2.179) 14.477 8.529 ( -2.095 -0.293 1.181) 2.423 8.619 ( 0.301 0.250 1.624) 1.670 9.504 ( -1.144 -5.527 7.288) 9.218 22.778 ( 0.045 -0.537 2.207) 2.271 22.795 ( -0.015 0.816 1.508) 1.715 22.921 ( -0.435 -0.734 -2.286) 2.441 31.337 ( 0.294 0.353 0.673) 0.815 31.459 ( -0.311 -1.096 -1.482) 1.870 31.512 ( 0.096 0.813 -1.031) 1.317 40.439 ( -1.011 -2.043 -0.353) 2.306 40.509 ( 1.767 -2.818 -0.751) 3.410 40.621 ( -1.028 2.909 -1.589) 3.471 41.466 ( -1.309 -0.813 0.005) 1.541 41.505 ( 0.973 -0.805 -1.000) 1.612 41.576 ( 0.192 2.297 -0.566) 2.374 46.956 ( -5.373 1.824 -3.677) 6.762 47.251 ( 7.187 5.335 -3.882) 9.757 47.962 ( 0.418 -3.752 9.502) 10.224 87.582 ( -0.148 -0.177 0.153) 0.276 87.597 ( 0.241 0.188 0.232) 0.384 87.639 ( -0.202 -0.424 0.177) 0.502======================= Grid point 34 (25/288) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.564 ( -3.165 -3.438 3.705) 5.964 3.073 ( 4.254 4.814 3.895) 7.513 3.861 ( -0.035 -7.823 1.767) 8.020 3.981 ( -5.752 0.073 -1.651) 5.985 4.174 ( 1.462 0.802 1.496) 2.241 4.714 ( -1.400 -1.775 -1.494) 2.710 4.991 ( 5.962 -14.019 6.458) 16.547 5.368 ( -0.778 4.040 4.422) 6.040 5.711 ( -2.000 -0.433 1.106) 2.326 5.851 ( -3.843 6.567 2.885) 8.138 6.105 ( 1.583 1.588 -2.850) 3.626 6.482 ( 7.551 -8.536 1.448) 11.489 6.821 ( -7.817 0.052 -0.486) 7.833 6.998 ( -1.778 -1.228 -5.607) 6.009 7.068 ( -5.641 4.035 -5.156) 8.642 7.515 ( 3.989 -4.366 0.269) 5.920 7.721 ( 3.188 5.371 -1.440) 6.410 7.951 ( 8.728 13.116 -1.565) 15.832 8.523 ( -1.526 -0.605 -0.349) 1.678 8.639 ( -1.306 -0.111 1.054) 1.682 9.572 ( -2.508 -6.520 4.330) 8.219 22.800 ( -0.340 -0.158 0.165) 0.409 22.815 ( 0.199 -0.284 0.557) 0.657 22.883 ( 0.036 0.392 -1.466) 1.518 31.356 ( 0.101 0.135 1.155) 1.167 31.433 ( -0.237 -0.999 -0.665) 1.223 31.505 ( 0.148 0.820 -0.268) 0.875 40.423 ( -0.980 -1.846 0.231) 2.103 40.501 ( 2.165 -3.585 -0.156) 4.191 40.611 ( -1.224 3.628 -0.288) 3.840 41.450 ( -0.749 -0.322 -0.707) 1.079 41.497 ( 0.873 -0.539 -0.367) 1.090 41.583 ( -0.149 1.715 0.463) 1.783 46.881 ( -3.885 2.160 -1.931) 4.846 47.242 ( 7.670 5.281 -5.223) 10.677 48.128 ( -3.446 -6.761 12.459) 14.588 87.581 ( -0.138 -0.136 -0.017) 0.194 87.602 ( 0.309 0.165 -0.021) 0.351 87.636 ( -0.180 -0.372 -0.190) 0.455======================= Grid point 35 (26/288) =======================q-point: (-0.57 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( -4.756 -3.296 1.421) 5.959 3.108 ( 0.598 1.048 -3.854) 4.039 3.723 ( 3.043 -2.253 -11.914) 12.501 3.994 ( -6.497 -4.494 5.258) 9.490 4.205 ( -1.075 -0.138 1.175) 1.599 4.605 ( 1.053 -0.908 -9.058) 9.164 5.089 ( 2.405 -15.923 7.614) 17.813 5.459 ( -2.805 0.581 5.692) 6.372 5.699 ( -4.648 2.737 0.116) 5.395 5.905 ( -3.220 4.723 -0.145) 5.718 6.060 ( 3.122 0.092 -0.413) 3.151 6.545 ( 4.821 -3.723 1.851) 6.367 6.740 ( -4.195 -4.442 -4.130) 7.375 6.962 ( -2.580 4.823 -1.341) 5.632 7.008 ( 1.510 5.002 3.264) 6.161 7.537 ( 3.916 -5.354 1.335) 6.767 7.740 ( 1.704 4.455 -0.354) 4.783 8.036 ( 8.021 12.167 -0.817) 14.596 8.493 ( -0.945 -0.742 -1.656) 2.046 8.642 ( -2.573 -0.398 0.869) 2.744 9.571 ( -3.773 -7.309 1.114) 8.301 22.777 ( 0.216 -1.068 -2.130) 2.393 22.810 ( -0.849 0.652 -1.003) 1.467 22.877 ( 0.944 0.686 -0.111) 1.172 31.374 ( -0.782 -0.396 0.874) 1.238 31.431 ( 0.497 -0.585 0.871) 1.162 31.511 ( 0.177 0.856 0.488) 1.001 40.422 ( -0.611 -1.604 1.090) 2.033 40.507 ( 2.213 -3.659 0.754) 4.342 40.617 ( -1.319 3.532 0.366) 3.788 41.431 ( -0.077 -0.012 -1.020) 1.023 41.497 ( 0.729 0.173 -0.132) 0.761 41.604 ( -0.403 1.030 1.470) 1.839 46.857 ( -2.096 3.432 0.286) 4.032 47.210 ( 7.223 4.996 -6.223) 10.764 48.300 ( -7.897 -9.948 14.960) 19.624 87.578 ( -0.092 -0.068 -0.178) 0.212 87.601 ( 0.322 0.120 -0.297) 0.454 87.628 ( -0.067 -0.270 -0.510) 0.582======================= Grid point 36 (27/288) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.522 ( -7.608 -5.099 -0.280) 9.163 2.937 ( -5.675 -2.668 -12.690) 14.155 3.527 ( 7.913 -0.233 -13.801) 15.911 3.975 ( -7.686 -2.364 -2.374) 8.384 4.188 ( -0.513 -2.008 -1.499) 2.558 4.457 ( 0.250 0.342 -6.249) 6.263 5.160 ( -2.632 -15.843 7.413) 17.688 5.507 ( -4.122 -1.223 1.801) 4.661 5.673 ( -3.663 2.206 -1.807) 4.642 5.836 ( -5.579 3.478 -2.510) 7.037 6.159 ( 5.774 2.568 4.711) 7.881 6.499 ( -3.159 0.651 -8.447) 9.042 6.664 ( 4.346 -8.075 0.953) 9.219 6.949 ( -0.498 9.541 -1.650) 9.696 7.206 ( 8.248 1.621 11.203) 14.006 7.580 ( 1.946 -4.975 3.777) 6.542 7.769 ( -0.540 4.196 1.409) 4.459 8.125 ( 6.718 8.342 0.732) 10.736 8.455 ( -0.560 -0.198 -1.452) 1.569 8.633 ( -3.577 -0.852 0.784) 3.760 9.508 ( -4.609 -7.968 -1.509) 9.328 22.728 ( 0.626 -1.408 -2.972) 3.348 22.778 ( -1.362 1.488 -2.156) 2.952 22.886 ( 1.707 0.573 -0.375) 1.840 31.375 ( -1.376 -0.723 0.518) 1.638 31.463 ( 0.959 -0.371 2.189) 2.418 31.530 ( 0.178 0.941 1.140) 1.488 40.439 ( -0.260 -1.426 1.711) 2.242 40.524 ( 1.921 -3.309 1.012) 3.958 40.634 ( -0.974 3.078 1.050) 3.395 41.413 ( 0.409 0.337 -1.210) 1.321 41.503 ( 0.809 0.772 0.032) 1.119 41.636 ( -0.584 0.489 2.211) 2.339 46.889 ( -0.566 5.266 2.369) 5.802 47.162 ( 6.384 4.676 -6.433) 10.198 48.472 ( -12.731 -13.125 17.401) 25.241 87.573 ( -0.027 0.009 -0.291) 0.292 87.596 ( 0.253 0.052 -0.509) 0.570 87.616 ( 0.132 -0.128 -0.761) 0.783======================= Grid point 37 (28/288) =======================q-point: (-0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.389 ( -11.894 -10.489 -5.123) 16.666 2.597 ( -11.439 -1.926 -16.615) 20.264 3.339 ( 10.838 0.020 -14.201) 17.864 3.732 ( -2.946 1.443 -19.805) 20.075 4.181 ( -0.231 -4.474 2.199) 4.991 4.388 ( -9.205 1.413 0.153) 9.314 5.202 ( -4.757 -13.902 6.919) 16.240 5.457 ( -4.556 -0.055 -3.296) 5.623 5.584 ( -0.232 0.276 -6.782) 6.791 5.809 ( -4.555 4.417 0.722) 6.386 6.239 ( 1.117 -2.045 -5.604) 6.069 6.326 ( -2.152 4.353 -2.643) 5.528 6.723 ( 9.002 -5.353 2.993) 10.892 6.959 ( 3.328 8.205 -2.252) 9.136 7.475 ( 9.602 0.973 10.328) 14.136 7.664 ( -0.171 -3.625 7.042) 7.922 7.828 ( -2.788 3.260 5.192) 6.735 8.215 ( 4.752 3.262 2.387) 6.239 8.443 ( -0.489 1.003 0.532) 1.237 8.614 ( -4.589 -1.433 0.691) 4.857 9.404 ( -4.731 -8.359 -2.601) 9.951 22.673 ( 0.918 -1.434 -3.181) 3.608 22.731 ( -1.504 1.854 -2.632) 3.553 22.889 ( 2.615 0.769 -1.330) 3.033 31.372 ( -1.512 -0.676 0.592) 1.759 31.512 ( 1.037 -0.510 2.577) 2.824 31.560 ( 0.136 1.054 1.607) 1.926 40.465 ( -0.008 -1.327 1.808) 2.242 40.538 ( 1.050 -2.065 0.581) 2.388 40.667 ( 0.182 1.924 1.733) 2.596 41.394 ( 0.748 0.699 -1.587) 1.888 41.516 ( 1.009 1.070 0.303) 1.502 41.676 ( -0.734 0.123 2.488) 2.597 46.967 ( 0.802 6.855 3.351) 7.672 47.112 ( 5.107 4.705 -5.322) 8.749 48.646 ( -17.844 -15.888 20.457) 31.453 87.568 ( 0.042 0.074 -0.336) 0.347 87.588 ( 0.126 -0.024 -0.577) 0.591 87.602 ( 0.361 0.018 -0.959) 1.025======================= Grid point 38 (29/288) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( -13.993 -12.392 -18.128) 26.039 2.240 ( -19.617 -3.777 -11.485) 23.044 3.180 ( 12.617 0.453 -14.032) 18.876 3.293 ( -3.993 2.451 -25.708) 26.131 4.196 ( -4.815 -4.433 2.774) 7.108 4.327 ( -12.657 0.907 0.893) 12.721 5.220 ( -1.266 -8.344 1.051) 8.505 5.358 ( -3.438 0.890 -4.188) 5.491 5.468 ( 1.431 -0.359 -4.951) 5.166 5.809 ( -0.824 1.712 -1.083) 2.187 6.017 ( 0.705 1.297 -14.285) 14.361 6.348 ( -7.180 0.755 2.567) 7.662 6.850 ( 10.989 -1.313 4.975) 12.134 6.984 ( 7.181 6.055 -1.742) 9.554 7.645 ( 3.755 -0.282 3.467) 5.118 7.826 ( 4.341 -1.273 10.371) 11.314 7.934 ( -5.196 1.364 8.010) 9.644 8.299 ( 1.905 -0.782 4.077) 4.567 8.475 ( -0.924 1.498 2.772) 3.283 8.591 ( -4.981 -1.515 1.265) 5.358 9.306 ( -4.098 -8.413 -0.691) 9.384 22.620 ( 1.184 -1.127 -2.877) 3.309 22.682 ( -1.447 1.851 -2.449) 3.394 22.877 ( 3.737 1.081 -2.926) 4.867 31.370 ( -1.521 -0.529 0.616) 1.725 31.561 ( 1.094 -0.640 2.419) 2.731 31.596 ( 0.040 1.085 1.793) 2.096 40.491 ( 0.260 -1.234 1.564) 2.009 40.545 ( 0.284 -0.568 0.303) 0.703 40.708 ( 1.368 0.689 1.540) 2.172 41.370 ( 1.007 0.981 -2.308) 2.702 41.535 ( 1.177 1.090 0.540) 1.693 41.713 ( -0.846 -0.144 2.212) 2.373 47.036 ( 5.915 4.661 -2.539) 7.947 47.111 ( -0.467 7.907 2.267) 8.238 48.843 ( -22.995 -17.478 25.190) 38.325 87.563 ( 0.105 0.101 -0.321) 0.353 87.578 ( -0.003 -0.087 -0.517) 0.525 87.587 ( 0.548 0.131 -1.092) 1.228======================= Grid point 39 (30/288) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -17.166 -9.143 -20.489) 28.250 1.831 ( -23.486 -8.099 -16.186) 29.651 2.701 ( -19.252 -0.113 -27.065) 33.213 3.129 ( 16.398 2.494 -8.288) 18.542 4.169 ( -10.748 -3.674 2.072) 11.546 4.264 ( -9.438 0.066 0.317) 9.444 5.143 ( 4.477 -1.488 -7.213) 8.619 5.264 ( 0.510 1.981 -6.016) 6.355 5.464 ( 0.442 -2.097 1.279) 2.496 5.679 ( 3.907 -5.065 -11.443) 13.110 5.886 ( -1.612 7.596 -2.483) 8.152 6.312 ( -9.644 -1.623 0.580) 9.797 6.987 ( 1.579 1.827 3.648) 4.375 7.080 ( 17.420 4.420 2.159) 18.101 7.702 ( -0.105 -0.072 2.519) 2.522 7.967 ( -5.164 -2.461 3.805) 6.871 8.065 ( 5.245 0.971 7.610) 9.294 8.385 ( -1.727 -2.029 6.254) 6.798 8.529 ( -1.828 0.848 3.558) 4.089 8.585 ( -3.957 -0.941 2.050) 4.555 9.291 ( -3.694 -8.166 6.602) 11.132 22.581 ( 1.410 -0.627 -2.077) 2.588 22.641 ( -1.327 1.645 -1.827) 2.793 22.838 ( 4.782 1.179 -5.529) 7.405 31.368 ( -1.440 -0.354 0.504) 1.566 31.605 ( 1.124 -0.563 1.886) 2.266 31.630 ( -0.066 0.880 1.570) 1.800 40.514 ( 0.624 -1.065 1.251) 1.757 40.551 ( -0.101 0.587 0.433) 0.737 40.737 ( 2.037 -0.209 0.151) 2.053 41.331 ( 1.087 1.080 -3.378) 3.709 41.557 ( 1.213 0.875 0.562) 1.598 41.739 ( -0.821 -0.305 1.513) 1.748 47.028 ( 6.447 3.297 -3.697) 8.131 47.204 ( -1.900 8.529 4.194) 9.693 49.117 ( -26.904 -16.367 33.185) 45.749 87.559 ( 0.188 0.054 -0.300) 0.358 87.568 ( 0.089 -0.049 -0.700) 0.707 87.573 ( 0.431 0.144 -0.817) 0.935======================= Grid point 40 (31/288) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -20.177 -6.373 -17.702) 27.588 1.303 ( -26.156 -6.966 -19.269) 33.226 2.091 ( -40.042 -1.668 -17.309) 43.655 3.150 ( 18.807 2.022 -3.985) 19.331 4.114 ( -10.959 -2.297 1.719) 11.329 4.207 ( -8.781 -0.286 0.040) 8.786 5.052 ( 7.836 -0.740 -6.949) 10.499 5.179 ( 0.012 1.316 -4.293) 4.490 5.327 ( 2.804 1.387 -13.379) 13.740 5.665 ( 1.366 -5.901 6.895) 9.178 5.860 ( -0.911 6.447 -3.423) 7.356 6.247 ( -8.763 -1.549 0.264) 8.903 7.043 ( 0.831 1.657 1.520) 2.397 7.274 ( 17.143 3.531 3.334) 17.818 7.741 ( -1.853 1.165 2.331) 3.197 7.931 ( -7.565 -3.544 -0.257) 8.358 8.224 ( 7.926 0.923 4.132) 8.986 8.470 ( -2.506 -0.914 5.197) 5.842 8.569 ( -1.826 -0.291 2.044) 2.756 8.599 ( -2.529 -0.178 1.976) 3.214 9.458 ( -2.324 -6.210 17.969) 19.153 22.562 ( 1.445 -0.202 -0.921) 1.726 22.614 ( -1.243 1.570 -0.905) 2.198 22.745 ( 4.051 0.334 -8.698) 9.601 31.365 ( -1.281 -0.175 0.280) 1.323 31.638 ( 1.091 -0.303 1.118) 1.591 31.654 ( -0.125 0.473 0.899) 1.024 40.534 ( 0.931 -0.719 0.716) 1.377 40.567 ( -0.245 1.190 1.172) 1.688 40.730 ( 1.732 -0.837 -2.458) 3.121 41.273 ( 0.272 0.769 -3.928) 4.011 41.576 ( 1.116 0.481 0.349) 1.264 41.753 ( -0.535 -0.266 0.758) 0.965 47.027 ( 5.540 2.206 -2.233) 6.367 47.280 ( -2.114 5.618 2.519) 6.510 49.562 ( -22.185 -10.018 41.625) 48.220 87.550 ( 0.477 -0.062 -1.059) 1.163 87.559 ( 0.083 0.138 -0.235) 0.285 87.566 ( 0.012 -0.001 -0.263) 0.264======================= Grid point 41 (32/288) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -23.813 0.000 0.000) 23.813 0.880 ( -32.070 0.000 0.000) 32.070 1.597 ( -53.181 0.000 0.000) 53.181 3.250 ( 19.454 -0.000 -0.000) 19.454 4.066 ( -7.994 0.000 0.000) 7.994 4.143 ( -9.941 0.000 0.000) 9.941 5.020 ( 7.382 -0.000 -0.000) 7.382 5.132 ( -0.885 0.000 0.000) 0.885 5.199 ( -1.871 0.000 0.000) 1.871 5.756 ( 2.066 -0.000 -0.000) 2.066 5.813 ( -0.762 0.000 0.000) 0.762 6.196 ( -6.520 0.000 0.000) 6.520 7.064 ( 0.314 -0.000 -0.000) 0.314 7.426 ( 15.866 -0.000 -0.000) 15.866 7.754 ( -2.499 0.000 0.000) 2.499 7.865 ( -7.083 0.000 0.000) 7.083 8.316 ( 7.592 -0.000 -0.000) 7.592 8.515 ( 0.234 -0.000 -0.000) 0.234 8.578 ( -1.186 0.000 0.000) 1.186 8.602 ( -2.528 0.000 0.000) 2.528 9.719 ( 7.244 -0.000 -0.000) 7.244 22.565 ( 1.249 -0.000 -0.000) 1.249 22.617 ( -0.938 0.000 0.000) 0.938 22.625 ( -0.743 0.000 0.000) 0.743 31.359 ( -1.064 0.000 0.000) 1.064 31.655 ( 1.026 -0.000 -0.000) 1.026 31.662 ( -0.155 0.000 0.000) 0.155 40.545 ( 0.886 -0.000 -0.000) 0.886 40.594 ( 0.732 -0.000 -0.000) 0.732 40.683 ( -0.969 0.000 0.000) 0.969 41.225 ( -1.303 0.000 0.000) 1.303 41.587 ( 0.941 -0.000 -0.000) 0.941 41.758 ( -0.167 0.000 0.000) 0.167 47.043 ( 4.121 -0.000 -0.000) 4.121 47.302 ( -1.647 0.000 0.000) 1.647 49.995 ( -1.237 0.000 0.000) 1.237 87.538 ( 0.037 -0.000 -0.000) 0.037 87.558 ( 0.085 -0.000 -0.000) 0.085 87.563 ( -0.070 0.000 0.000) 0.070======================= Grid point 46 (33/288) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.499 ( 0.000 -5.659 9.995) 11.486 2.860 ( -0.000 8.231 10.633) 13.447 3.791 ( 0.000 -7.786 5.995) 9.827 4.034 ( -0.000 4.109 5.558) 6.911 4.177 ( 0.000 -2.205 -4.056) 4.616 4.671 ( 0.000 0.307 10.074) 10.079 4.867 ( 0.000 -13.380 3.365) 13.797 5.281 ( -0.000 7.526 3.029) 8.113 5.688 ( 0.000 -1.023 0.853) 1.332 5.923 ( -0.000 0.732 1.723) 1.872 6.019 ( -0.000 9.470 -0.858) 9.508 6.467 ( 0.000 -14.362 -2.520) 14.581 7.052 ( 0.000 -2.370 -0.837) 2.513 7.078 ( 0.000 -1.596 -3.163) 3.543 7.197 ( -0.000 -1.732 -11.187) 11.320 7.603 ( -0.000 4.586 -3.706) 5.896 7.611 ( -0.000 4.586 -4.115) 6.162 7.818 ( -0.000 11.636 0.168) 11.637 8.546 ( 0.000 -0.400 0.705) 0.811 8.614 ( -0.000 0.784 2.111) 2.252 9.512 ( 0.000 -6.373 7.845) 10.107 22.777 ( 0.000 -0.525 2.357) 2.415 22.795 ( -0.000 0.843 1.375) 1.613 22.924 ( 0.000 -0.783 -2.464) 2.586 31.335 ( -0.000 0.339 0.730) 0.805 31.461 ( 0.000 -1.250 -1.464) 1.925 31.512 ( -0.000 0.977 -1.081) 1.457 40.448 ( 0.000 -2.614 -0.090) 2.615 40.495 ( 0.000 -2.466 -1.010) 2.665 40.628 ( -0.000 2.879 -1.649) 3.318 41.480 ( 0.000 -1.190 0.397) 1.255 41.493 ( 0.000 -0.587 -1.585) 1.690 41.575 ( -0.000 2.585 -0.446) 2.624 47.006 ( -0.000 2.220 -4.495) 5.014 47.186 ( -0.000 6.101 -3.951) 7.269 47.961 ( 0.000 -4.761 11.210) 12.179 87.583 ( 0.000 -0.225 0.156) 0.273 87.595 ( -0.000 0.220 0.219) 0.311 87.641 ( 0.000 -0.450 0.157) 0.477======================= Grid point 47 (34/288) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.599 ( -1.628 -4.989 4.779) 7.098 3.027 ( 2.035 6.654 4.295) 8.177 3.861 ( -0.032 -9.265 1.969) 9.472 4.052 ( -3.950 -0.338 -3.040) 4.996 4.147 ( 2.145 0.753 3.364) 4.060 4.732 ( -0.912 -1.140 -2.286) 2.712 4.930 ( 2.629 -15.769 8.644) 18.174 5.373 ( -0.126 3.451 5.115) 6.171 5.713 ( 0.507 -0.472 1.703) 1.839 5.940 ( -7.223 4.883 1.964) 8.937 6.061 ( 4.599 6.273 -1.104) 7.856 6.401 ( 3.550 -11.488 0.838) 12.053 6.944 ( -8.936 -0.877 -2.809) 9.408 7.014 ( -0.415 -1.250 -5.890) 6.035 7.083 ( 3.411 0.331 -4.324) 5.517 7.518 ( -5.134 1.846 -1.252) 5.598 7.628 ( 9.360 4.413 -2.750) 10.707 7.882 ( 1.830 14.586 0.219) 14.702 8.540 ( -0.749 -0.999 -0.785) 1.474 8.649 ( -0.253 0.802 1.439) 1.666 9.597 ( -1.074 -7.860 5.127) 9.446 22.804 ( -0.312 -0.221 -0.207) 0.435 22.812 ( 0.253 -0.330 1.166) 1.238 22.883 ( 0.012 0.488 -1.891) 1.953 31.355 ( 0.043 0.156 1.397) 1.407 31.435 ( -0.108 -1.289 -0.782) 1.511 31.503 ( 0.070 1.080 -0.339) 1.134 40.437 ( -0.960 -2.646 0.410) 2.845 40.475 ( 1.373 -3.138 -0.286) 3.437 40.622 ( -0.431 3.537 -0.392) 3.585 41.460 ( -0.655 -0.503 -1.290) 1.532 41.485 ( 0.709 -0.499 0.011) 0.867 41.585 ( -0.064 2.065 0.518) 2.130 46.934 ( -3.103 2.612 -2.967) 5.026 47.151 ( 4.635 5.970 -4.801) 8.954 48.162 ( -1.381 -7.732 14.393) 16.397 87.583 ( -0.084 -0.199 -0.015) 0.217 87.598 ( 0.152 0.203 -0.043) 0.257 87.638 ( -0.071 -0.432 -0.227) 0.493======================= Grid point 48 (35/288) =======================q-point: (-0.64 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.627 ( -3.710 -4.060 2.821) 6.181 3.088 ( 1.767 3.295 -1.523) 4.037 3.691 ( 1.602 -4.582 -14.340) 15.139 4.084 ( -6.481 -4.824 7.146) 10.786 4.207 ( 1.043 -1.702 2.942) 3.555 4.593 ( 0.669 -1.052 -11.667) 11.733 5.060 ( 1.687 -16.771 10.939) 20.094 5.489 ( -1.882 0.413 7.357) 7.605 5.732 ( 0.268 1.258 -0.438) 1.359 5.948 ( -2.987 4.582 0.291) 5.477 6.044 ( -0.776 2.101 -2.623) 3.450 6.476 ( 4.812 -4.206 6.122) 8.850 6.822 ( -7.268 -2.806 -5.465) 9.517 6.958 ( 1.707 0.461 0.892) 1.980 7.011 ( 0.091 3.452 -5.051) 6.118 7.511 ( -0.770 -0.640 2.109) 2.335 7.673 ( 7.701 3.099 -0.285) 8.306 7.959 ( 2.995 15.659 0.006) 15.943 8.505 ( -0.720 -1.515 -1.844) 2.492 8.668 ( -1.266 0.658 1.008) 1.747 9.615 ( -2.409 -8.898 1.835) 9.400 22.774 ( 0.124 -1.188 -2.395) 2.676 22.821 ( -0.799 0.267 -0.193) 0.864 22.865 ( 0.811 1.147 -0.881) 1.659 31.383 ( -0.525 -0.228 1.631) 1.728 31.425 ( 0.338 -1.076 0.256) 1.156 31.509 ( 0.129 1.166 0.416) 1.245 40.433 ( -0.983 -2.378 1.105) 2.800 40.479 ( 1.820 -3.394 0.854) 3.945 40.631 ( -0.698 3.398 0.230) 3.477 41.433 ( -0.185 -0.239 -1.313) 1.347 41.488 ( 0.528 0.373 -0.067) 0.650 41.608 ( -0.206 1.372 1.443) 2.001 46.893 ( -2.995 4.028 -0.599) 5.055 47.118 ( 5.950 5.578 -5.585) 9.885 48.385 ( -4.383 -10.857 16.939) 20.591 87.580 ( -0.118 -0.120 -0.180) 0.246 87.597 ( 0.280 0.162 -0.326) 0.459 87.629 ( -0.075 -0.373 -0.551) 0.669======================= Grid point 49 (36/288) =======================q-point: (-0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( -6.660 -4.711 2.152) 8.437 2.994 ( -2.787 -2.016 -9.426) 10.034 3.430 ( 6.078 -1.695 -15.815) 17.027 4.080 ( -7.208 -2.773 -3.503) 8.480 4.206 ( -2.495 -3.198 -3.302) 5.230 4.435 ( 3.246 -1.135 -1.890) 3.924 5.190 ( -1.779 -16.586 10.628) 19.779 5.555 ( -3.980 -1.476 0.915) 4.342 5.717 ( -1.512 2.783 -1.980) 3.735 5.901 ( -2.508 1.765 -2.680) 4.073 6.083 ( 3.601 4.038 4.206) 6.853 6.538 ( -2.005 1.768 -5.093) 5.752 6.654 ( -3.319 -6.410 -2.290) 7.573 6.952 ( 1.021 4.150 -3.393) 5.457 7.089 ( 8.248 1.145 8.592) 11.965 7.569 ( -0.503 -1.819 5.354) 5.676 7.743 ( 4.385 1.558 2.465) 5.266 8.047 ( 4.085 13.519 0.779) 14.145 8.463 ( -0.546 -1.437 -1.363) 2.054 8.675 ( -2.398 0.289 0.994) 2.612 9.563 ( -3.348 -9.687 -1.246) 10.325 22.721 ( 0.429 -1.465 -3.127) 3.480 22.797 ( -1.528 1.308 -1.809) 2.705 22.863 ( 1.633 0.692 -0.895) 1.987 31.394 ( -1.442 -0.825 0.784) 1.837 31.449 ( 1.135 -0.602 2.030) 2.403 31.528 ( 0.149 1.270 1.091) 1.681 40.445 ( -0.604 -2.128 1.745) 2.818 40.499 ( 1.725 -3.345 1.403) 4.016 40.646 ( -0.728 2.973 0.638) 3.127 41.409 ( 0.150 0.139 -1.329) 1.345 41.493 ( 0.612 1.096 -0.089) 1.259 41.642 ( -0.303 0.822 2.110) 2.285 46.906 ( -1.859 6.085 1.559) 6.551 47.078 ( 5.756 5.277 -5.586) 9.601 48.615 ( -8.264 -13.995 19.376) 25.290 87.574 ( -0.103 -0.016 -0.300) 0.318 87.592 ( 0.369 0.122 -0.556) 0.678 87.616 ( -0.028 -0.288 -0.768) 0.821======================= Grid point 50 (37/288) =======================q-point: (-0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -11.131 -9.555 -2.806) 14.936 2.732 ( -8.250 -2.612 -12.328) 15.062 3.201 ( 9.334 -1.185 -15.464) 18.101 3.770 ( -2.431 1.284 -22.711) 22.877 4.193 ( -1.758 -3.659 3.587) 5.417 4.485 ( -4.932 -0.350 5.200) 7.176 5.268 ( -5.000 -13.541 6.707) 15.917 5.478 ( -0.065 -2.300 -5.734) 6.178 5.622 ( -3.604 1.324 -6.582) 7.620 5.881 ( -5.660 3.654 0.744) 6.778 6.215 ( 2.981 -0.208 1.902) 3.542 6.333 ( 0.475 3.377 -8.987) 9.612 6.644 ( 1.615 -1.996 0.076) 2.569 6.932 ( 1.296 2.226 -1.334) 2.901 7.335 ( 10.868 1.860 9.769) 14.731 7.672 ( -0.926 -3.075 7.348) 8.019 7.843 ( 0.496 0.682 7.029) 7.080 8.146 ( 4.539 8.232 2.238) 9.663 8.449 ( -0.395 -0.434 0.787) 0.982 8.673 ( -3.732 -0.282 1.075) 3.894 9.458 ( -3.201 -10.097 -3.329) 11.103 22.661 ( 0.718 -1.543 -3.296) 3.709 22.753 ( -1.722 1.889 -2.528) 3.595 22.856 ( 2.205 0.608 -1.737) 2.872 31.393 ( -1.612 -0.794 0.727) 1.939 31.496 ( 1.253 -0.678 2.461) 2.844 31.558 ( 0.103 1.354 1.615) 2.110 40.467 ( -0.317 -1.933 1.878) 2.714 40.522 ( 1.309 -2.614 1.199) 3.160 40.668 ( -0.261 2.096 1.065) 2.365 41.387 ( 0.347 0.539 -1.538) 1.666 41.503 ( 0.844 1.459 0.094) 1.688 41.683 ( -0.341 0.463 2.316) 2.387 46.954 ( 1.406 6.520 0.070) 6.671 47.056 ( 2.911 6.728 -1.780) 7.544 48.852 ( -12.477 -16.525 22.075) 30.266 87.568 ( -0.044 0.074 -0.362) 0.372 87.584 ( 0.413 0.106 -0.674) 0.797 87.600 ( 0.021 -0.208 -0.871) 0.896======================= Grid point 51 (38/288) =======================q-point: (-0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.229 ( -13.253 -11.808 -16.449) 24.200 2.491 ( -17.282 -4.462 -6.771) 19.089 3.006 ( 12.150 -0.529 -13.938) 18.498 3.340 ( -2.207 2.996 -23.680) 23.971 4.237 ( -2.265 -2.196 3.704) 4.865 4.507 ( -12.342 -0.028 3.542) 12.841 5.211 ( 2.491 -3.222 -8.733) 9.636 5.375 ( -2.008 -2.773 -3.913) 5.200 5.514 ( -4.939 -4.765 0.101) 6.863 5.833 ( -2.803 0.569 -5.252) 5.981 6.031 ( -2.610 0.826 -10.772) 11.114 6.421 ( -2.448 5.131 5.527) 7.929 6.677 ( 11.472 0.179 0.549) 11.486 6.936 ( 1.257 0.732 0.330) 1.492 7.558 ( 8.921 2.875 6.029) 11.144 7.788 ( 1.264 -4.350 7.887) 9.095 7.996 ( -3.785 -0.159 10.077) 10.766 8.251 ( 4.062 2.641 4.025) 6.299 8.482 ( -0.381 0.479 3.072) 3.132 8.663 ( -5.014 -0.577 1.569) 5.286 9.342 ( -1.277 -9.888 -2.941) 10.395 22.605 ( 1.007 -1.337 -2.978) 3.416 22.704 ( -1.673 2.109 -2.507) 3.679 22.834 ( 2.704 0.655 -3.008) 4.098 31.392 ( -1.706 -0.609 0.711) 1.946 31.544 ( 1.390 -0.719 2.247) 2.739 31.595 ( -0.002 1.273 1.858) 2.253 40.489 ( -0.079 -1.762 1.567) 2.359 40.538 ( 0.689 -1.157 0.751) 1.542 40.695 ( 0.542 0.820 1.156) 1.518 41.361 ( 0.323 0.831 -2.010) 2.199 41.519 ( 1.117 1.451 0.346) 1.863 41.720 ( -0.347 0.183 1.970) 2.009 46.954 ( 5.781 4.095 -4.195) 8.233 47.127 ( -1.501 10.128 4.371) 11.132 49.107 ( -16.044 -17.411 25.319) 34.664 87.562 ( 0.067 0.101 -0.384) 0.402 87.575 ( 0.436 0.157 -0.726) 0.861 87.584 ( -0.014 -0.184 -0.799) 0.820======================= Grid point 52 (39/288) =======================q-point: (-0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.770 ( -16.225 -10.134 -18.308) 26.479 2.141 ( -22.386 -6.677 -15.121) 27.827 2.858 ( 5.361 0.680 -12.541) 13.656 2.977 ( -2.752 2.421 -13.439) 13.930 4.264 ( -4.225 -1.405 2.407) 5.061 4.445 ( -15.879 -0.379 0.806) 15.904 5.038 ( 9.461 0.034 -12.802) 15.918 5.273 ( -2.053 3.663 -5.793) 7.155 5.498 ( -3.420 -7.806 -0.333) 8.529 5.650 ( 0.639 -7.206 -7.372) 10.328 5.923 ( -4.338 7.325 -2.381) 8.840 6.444 ( -9.592 1.497 1.176) 9.780 6.828 ( 18.193 3.327 2.744) 18.697 6.973 ( 1.418 0.641 2.727) 3.140 7.687 ( 3.019 2.082 3.543) 5.100 7.937 ( 5.815 -2.852 6.946) 9.497 8.093 ( -6.283 -1.609 4.597) 7.950 8.369 ( 2.472 -0.560 6.091) 6.598 8.545 ( -0.729 0.576 3.778) 3.890 8.658 ( -5.599 -0.282 1.815) 5.893 9.297 ( 2.382 -8.746 2.793) 9.485 22.562 ( 1.296 -0.860 -2.147) 2.651 22.661 ( -1.529 2.062 -1.935) 3.214 22.788 ( 2.743 0.479 -4.600) 5.377 31.390 ( -1.723 -0.397 0.563) 1.856 31.587 ( 1.502 -0.556 1.712) 2.344 31.631 ( -0.108 0.948 1.638) 1.896 40.507 ( 0.334 -1.420 1.098) 1.826 40.551 ( 0.164 0.218 0.668) 0.722 40.717 ( 1.010 -0.281 0.419) 1.129 41.325 ( -0.038 0.903 -2.575) 2.729 41.540 ( 1.304 1.130 0.443) 1.782 41.747 ( -0.338 -0.050 1.209) 1.256 46.939 ( 6.584 3.075 -3.605) 8.111 47.236 ( -2.645 9.825 4.664) 11.193 49.408 ( -16.848 -15.195 28.740) 36.616 87.556 ( 0.281 0.013 -0.515) 0.587 87.564 ( 0.285 0.234 -0.778) 0.861 87.572 ( -0.081 -0.152 -0.391) 0.428======================= Grid point 53 (40/288) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -18.885 -7.265 -15.891) 25.729 1.662 ( -26.543 -4.345 -15.208) 30.898 2.563 ( -28.149 0.036 -8.374) 29.369 2.907 ( 16.296 1.129 -4.707) 17.000 4.251 ( -7.584 -0.994 1.147) 7.734 4.343 ( -13.029 -0.414 -0.371) 13.041 4.915 ( 10.941 0.365 -8.638) 13.944 5.187 ( -1.211 4.284 -4.086) 6.043 5.320 ( -0.134 -3.819 -9.798) 10.517 5.659 ( -0.156 -8.443 6.581) 10.706 5.886 ( -3.453 7.356 -2.796) 8.594 6.381 ( -10.795 -0.362 -0.047) 10.801 6.983 ( 13.816 1.718 0.131) 13.923 7.069 ( 6.780 2.342 4.498) 8.467 7.760 ( -0.452 1.896 2.930) 3.519 8.021 ( -3.720 -3.623 0.743) 5.246 8.125 ( 4.492 -0.117 2.941) 5.370 8.473 ( 0.753 -0.895 4.328) 4.483 8.593 ( -1.438 0.154 1.687) 2.222 8.644 ( -3.755 -0.037 0.634) 3.809 9.422 ( 6.731 -5.614 9.965) 13.271 22.542 ( 1.506 -0.357 -0.917) 1.799 22.632 ( -1.425 2.060 -0.979) 2.689 22.712 ( 1.384 -0.442 -5.390) 5.582 31.385 ( -1.651 -0.192 0.305) 1.690 31.620 ( 1.534 -0.286 0.967) 1.836 31.656 ( -0.174 0.490 0.947) 1.080 40.522 ( 0.796 -0.784 0.593) 1.266 40.568 ( 0.052 0.866 0.933) 1.275 40.716 ( 0.502 -0.846 -0.939) 1.360 41.279 ( -0.901 0.634 -2.440) 2.677 41.559 ( 1.348 0.598 0.302) 1.505 41.759 ( -0.287 -0.139 0.459) 0.559 46.943 ( 6.645 1.858 -2.023) 7.191 47.317 ( -3.155 6.203 2.820) 7.509 49.773 ( -10.839 -8.779 26.995) 30.385 87.545 ( 0.307 -0.042 -0.795) 0.853 87.557 ( 0.073 0.143 -0.231) 0.281 87.567 ( -0.073 -0.054 -0.166) 0.189======================= Grid point 54 (41/288) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.978 ( -22.027 0.000 0.000) 22.027 1.306 ( -30.771 0.000 0.000) 30.771 2.241 ( -41.273 0.000 0.000) 41.273 2.989 ( 18.790 -0.000 -0.000) 18.790 4.197 ( -10.425 0.000 0.000) 10.425 4.266 ( -9.132 0.000 0.000) 9.132 4.900 ( 9.866 -0.000 -0.000) 9.866 5.149 ( -1.530 0.000 0.000) 1.530 5.217 ( -0.583 0.000 0.000) 0.583 5.727 ( 2.284 -0.000 -0.000) 2.284 5.839 ( -3.434 0.000 0.000) 3.434 6.309 ( -9.925 0.000 0.000) 9.925 7.044 ( 4.228 -0.000 -0.000) 4.228 7.199 ( 15.801 -0.000 -0.000) 15.801 7.787 ( -1.973 0.000 0.000) 1.973 7.965 ( -7.394 0.000 0.000) 7.394 8.205 ( 8.416 -0.000 -0.000) 8.416 8.514 ( -0.166 0.000 0.000) 0.166 8.592 ( -1.000 0.000 0.000) 1.000 8.635 ( -2.283 0.000 0.000) 2.283 9.597 ( 10.685 -0.000 -0.000) 10.685 22.546 ( 1.598 -0.000 -0.000) 1.598 22.630 ( -1.005 0.000 0.000) 1.005 22.638 ( -1.123 0.000 0.000) 1.123 31.377 ( -1.497 0.000 0.000) 1.497 31.638 ( 1.451 -0.000 -0.000) 1.451 31.665 ( -0.195 0.000 0.000) 0.195 40.532 ( 0.968 -0.000 -0.000) 0.968 40.585 ( 0.593 -0.000 -0.000) 0.593 40.696 ( -0.830 0.000 0.000) 0.830 41.245 ( -1.641 0.000 0.000) 1.641 41.572 ( 1.268 -0.000 -0.000) 1.268 41.760 ( -0.209 0.000 0.000) 0.209 46.972 ( 6.175 -0.000 -0.000) 6.175 47.334 ( -3.039 0.000 0.000) 3.039 50.014 ( -1.570 0.000 0.000) 1.570 87.538 ( 0.058 -0.000 -0.000) 0.058 87.557 ( 0.094 -0.000 -0.000) 0.094 87.565 ( -0.087 0.000 0.000) 0.087======================= Grid point 61 (42/288) =======================q-point: ( 0.29 -0.71 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 0.000 -4.484 3.335) 5.588 3.074 ( -0.000 4.350 -0.755) 4.415 3.680 ( 0.000 -5.516 -15.148) 16.121 4.148 ( 0.000 -4.154 10.460) 11.254 4.183 ( 0.000 -3.259 1.299) 3.508 4.588 ( -0.000 -0.906 -13.140) 13.171 5.048 ( 0.000 -17.036 12.232) 20.972 5.504 ( 0.000 1.412 8.665) 8.779 5.722 ( -0.000 -0.038 -0.961) 0.961 5.969 ( -0.000 0.069 -3.465) 3.466 6.059 ( -0.000 7.573 -0.438) 7.586 6.437 ( 0.000 -4.690 8.400) 9.621 6.914 ( 0.000 -2.274 -7.101) 7.457 6.915 ( 0.000 -1.227 -2.365) 2.665 7.002 ( -0.000 1.716 -2.934) 3.399 7.558 ( -0.000 3.164 0.958) 3.306 7.574 ( -0.000 2.622 1.166) 2.869 7.942 ( -0.000 15.766 0.346) 15.769 8.510 ( 0.000 -1.827 -1.950) 2.672 8.676 ( -0.000 1.106 1.076) 1.543 9.632 ( 0.000 -9.396 2.013) 9.609 22.774 ( 0.000 -1.225 -2.486) 2.772 22.828 ( 0.000 -0.189 0.468) 0.505 22.859 ( -0.000 1.625 -1.525) 2.229 31.387 ( 0.000 -0.090 2.077) 2.079 31.422 ( 0.000 -1.338 -0.143) 1.346 31.508 ( -0.000 1.286 0.393) 1.344 40.444 ( 0.000 -2.917 1.099) 3.117 40.463 ( 0.000 -3.032 0.902) 3.163 40.636 ( -0.000 3.346 0.184) 3.351 41.434 ( -0.000 -0.360 -1.465) 1.508 41.484 ( -0.000 0.490 0.009) 0.490 41.609 ( -0.000 1.487 1.425) 2.060 46.920 ( -0.000 4.127 -1.016) 4.250 47.071 ( -0.000 5.840 -5.176) 7.804 48.415 ( 0.000 -11.129 17.550) 20.781 87.581 ( 0.000 -0.151 -0.175) 0.231 87.595 ( -0.000 0.183 -0.343) 0.389 87.630 ( 0.000 -0.402 -0.563) 0.692======================= Grid point 63 (43/288) =======================q-point: (-0.64 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.689 ( -2.865 -4.279 3.506) 6.230 3.016 ( -0.616 -1.224 -6.948) 7.082 3.371 ( 2.386 -3.064 -17.577) 18.001 4.144 ( -1.933 -2.409 -6.562) 7.253 4.271 ( -6.720 -3.621 -4.017) 8.625 4.369 ( 6.162 -3.169 2.218) 7.276 5.206 ( -0.595 -16.633 12.624) 20.890 5.623 ( -5.868 0.043 -0.474) 5.887 5.700 ( 4.019 2.580 0.724) 4.830 5.892 ( 1.693 -2.610 -2.648) 4.086 6.081 ( -1.412 7.341 0.787) 7.516 6.552 ( -0.395 0.328 -1.159) 1.267 6.741 ( -8.391 -3.622 -3.292) 9.714 6.883 ( 8.569 -0.760 -4.023) 9.497 7.024 ( 1.320 2.295 4.845) 5.521 7.595 ( -3.328 0.382 5.208) 6.193 7.668 ( 5.623 1.094 4.584) 7.337 8.016 ( 0.894 15.196 0.834) 15.245 8.468 ( -0.221 -2.202 -1.359) 2.597 8.697 ( -0.792 1.084 1.050) 1.705 9.594 ( -1.202 -10.463 -1.356) 10.619 22.717 ( 0.150 -1.497 -3.208) 3.544 22.818 ( -1.497 0.730 -1.288) 2.105 22.842 ( 1.512 1.232 -1.478) 2.447 31.413 ( -1.340 -0.970 0.904) 1.885 31.433 ( 1.228 -0.637 1.953) 2.393 31.527 ( 0.057 1.447 1.080) 1.806 40.454 ( -0.655 -2.647 1.655) 3.190 40.480 ( 1.040 -3.179 1.686) 3.746 40.653 ( -0.260 2.869 0.476) 2.920 41.408 ( 0.028 -0.005 -1.404) 1.404 41.487 ( 0.232 1.313 -0.138) 1.341 41.645 ( -0.093 0.994 2.038) 2.269 46.936 ( -2.296 6.551 1.162) 7.039 47.012 ( 3.666 5.468 -5.066) 8.306 48.691 ( -2.851 -14.385 20.255) 25.006 87.576 ( -0.085 -0.038 -0.292) 0.306 87.588 ( 0.192 0.139 -0.595) 0.641 87.616 ( -0.024 -0.345 -0.770) 0.845======================= Grid point 64 (44/288) =======================q-point: (-0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.682 ( -8.351 -7.628 -0.442) 11.319 2.813 ( -3.517 -4.633 -10.026) 11.591 3.093 ( 6.342 -1.374 -16.100) 17.358 3.794 ( -1.052 1.094 -25.172) 25.217 4.226 ( -2.743 -3.043 3.132) 5.157 4.521 ( -0.773 -2.835 9.302) 9.755 5.329 ( -3.561 -12.689 7.084) 14.962 5.482 ( -0.713 -2.853 -8.016) 8.538 5.656 ( -1.381 3.226 -7.264) 8.067 5.944 ( -3.170 0.022 4.586) 5.575 6.156 ( 4.681 4.648 4.774) 8.143 6.339 ( -1.389 -0.980 -15.254) 15.349 6.671 ( -4.453 0.558 -2.508) 5.141 6.911 ( 2.117 -0.932 1.914) 3.002 7.197 ( 8.462 2.482 8.707) 12.392 7.686 ( -0.993 -3.080 6.523) 7.282 7.822 ( 1.998 -0.775 10.204) 10.427 8.103 ( 1.819 11.542 2.098) 11.871 8.454 ( -0.229 -1.644 0.917) 1.896 8.711 ( -1.896 0.814 1.148) 2.361 9.490 ( -1.511 -11.017 -4.402) 11.959 22.654 ( 0.385 -1.619 -3.360) 3.750 22.777 ( -1.832 1.658 -2.390) 3.437 22.828 ( 1.977 0.744 -1.980) 2.896 31.414 ( -1.380 -0.950 0.792) 1.853 31.479 ( 1.190 -0.669 2.378) 2.742 31.557 ( 0.053 1.508 1.650) 2.236 40.473 ( -0.547 -2.300 1.918) 3.044 40.505 ( 1.104 -2.876 1.579) 3.462 40.672 ( -0.235 2.083 0.718) 2.216 41.384 ( 0.124 0.397 -1.468) 1.525 41.494 ( 0.487 1.762 -0.059) 1.829 41.686 ( -0.123 0.673 2.185) 2.290 46.931 ( 1.582 5.129 -4.180) 6.803 47.033 ( 0.708 9.021 2.718) 9.448 48.980 ( -6.365 -16.868 22.701) 28.989 87.569 ( -0.130 0.084 -0.380) 0.410 87.578 ( 0.372 0.116 -0.713) 0.812 87.600 ( -0.037 -0.289 -0.827) 0.876======================= Grid point 65 (45/288) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.392 ( -10.744 -11.604 -15.612) 22.222 2.689 ( -10.248 -5.481 -2.248) 11.837 2.868 ( 6.767 -0.238 -13.953) 15.509 3.349 ( 0.866 3.005 -23.830) 24.035 4.267 ( -2.157 -1.199 3.750) 4.489 4.637 ( -6.549 -1.303 7.009) 9.680 5.176 ( 2.067 -0.457 -16.018) 16.158 5.423 ( -4.562 -4.427 -1.282) 6.485 5.558 ( -1.202 -4.846 0.176) 4.996 5.879 ( -3.528 -2.362 -10.104) 10.959 6.084 ( -4.862 1.574 -6.093) 7.953 6.372 ( 8.249 4.534 8.478) 12.668 6.607 ( 0.003 2.623 -3.064) 4.034 6.938 ( -1.588 -1.474 1.641) 2.718 7.421 ( 10.552 3.402 7.180) 13.208 7.780 ( 0.310 -5.934 6.547) 8.842 8.037 ( -2.335 -1.465 13.265) 13.548 8.204 ( 2.638 5.736 3.946) 7.445 8.486 ( -0.173 -0.815 3.318) 3.421 8.719 ( -3.120 0.636 1.440) 3.495 9.346 ( 0.352 -10.695 -5.952) 12.245 22.594 ( 0.656 -1.519 -3.030) 3.452 22.727 ( -1.767 2.024 -2.564) 3.714 22.802 ( 2.095 0.623 -2.865) 3.603 31.415 ( -1.613 -0.713 0.797) 1.935 31.525 ( 1.420 -0.671 2.085) 2.610 31.595 ( -0.015 1.345 1.925) 2.349 40.493 ( -0.463 -2.062 1.579) 2.638 40.527 ( 0.938 -1.715 1.157) 2.272 40.691 ( 0.083 0.975 0.869) 1.309 41.359 ( 0.033 0.699 -1.699) 1.838 41.506 ( 0.819 1.769 0.157) 1.956 41.723 ( -0.103 0.409 1.818) 1.866 46.886 ( 4.050 3.929 -4.686) 7.335 47.146 ( -1.263 11.183 5.192) 12.394 49.278 ( -9.353 -17.449 24.523) 31.518 87.561 ( 0.020 0.091 -0.522) 0.530 87.569 ( 0.352 0.202 -0.639) 0.757 87.585 ( -0.071 -0.262 -0.707) 0.758======================= Grid point 66 (46/288) =======================q-point: (-0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.971 ( -13.228 -11.307 -17.098) 24.396 2.428 ( -19.003 -4.960 -13.883) 24.051 2.706 ( 10.627 0.160 -10.133) 14.684 3.056 ( -3.434 2.729 -9.766) 10.706 4.308 ( -2.538 -0.249 2.709) 3.721 4.649 ( -13.151 0.047 1.287) 13.214 4.916 ( 8.020 -0.160 -14.698) 16.745 5.308 ( -2.778 4.664 -6.946) 8.816 5.534 ( -1.937 -9.168 -5.626) 10.929 5.652 ( -0.346 -7.779 -3.715) 8.627 6.008 ( -8.048 5.029 -0.786) 9.523 6.548 ( -1.807 5.472 1.824) 6.044 6.614 ( 9.360 1.642 2.972) 9.957 6.958 ( 0.425 -1.131 2.388) 2.676 7.607 ( 8.561 3.668 4.809) 10.482 7.881 ( 2.370 -5.477 6.296) 8.675 8.175 ( -5.381 -1.437 5.019) 7.497 8.340 ( 1.398 -0.149 8.132) 8.253 8.553 ( -0.347 -0.316 4.196) 4.222 8.725 ( -4.241 0.769 1.328) 4.511 9.239 ( 5.607 -8.924 -2.516) 10.836 22.547 ( 0.973 -1.112 -2.205) 2.654 22.682 ( -1.554 2.082 -2.061) 3.316 22.759 ( 1.711 0.325 -3.672) 4.065 31.414 ( -1.786 -0.456 0.629) 1.948 31.565 ( 1.640 -0.496 1.553) 2.312 31.633 ( -0.098 0.967 1.694) 1.953 40.505 ( -0.024 -1.624 0.861) 1.839 40.547 ( 0.465 -0.381 1.017) 1.182 40.708 ( 0.325 -0.057 0.592) 0.677 41.329 ( -0.400 0.779 -1.932) 2.121 41.523 ( 1.145 1.378 0.296) 1.816 41.750 ( -0.113 0.150 1.092) 1.108 46.857 ( 5.344 2.920 -3.663) 7.106 47.271 ( -2.336 10.499 5.064) 11.888 49.586 ( -9.841 -14.842 24.570) 30.345 87.552 ( 0.265 0.009 -0.668) 0.719 87.562 ( 0.124 0.275 -0.489) 0.575 87.573 ( -0.086 -0.210 -0.398) 0.458======================= Grid point 67 (47/288) =======================q-point: (-0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -16.129 -7.877 -14.380) 22.999 2.008 ( -24.119 -2.318 -12.534) 27.280 2.654 ( 12.831 0.180 -4.969) 13.760 2.902 ( -14.404 0.802 -3.050) 14.745 4.322 ( -3.709 0.117 1.289) 3.928 4.523 ( -10.003 0.228 -4.218) 10.859 4.793 ( 4.966 -0.082 -5.423) 7.354 5.205 ( -1.168 5.831 -5.018) 7.782 5.320 ( -0.004 -6.339 -9.135) 11.119 5.662 ( -0.257 -7.899 4.295) 8.995 5.963 ( -7.960 5.124 -0.774) 9.498 6.522 ( -8.464 1.420 -0.235) 8.586 6.759 ( 14.406 2.116 1.580) 14.646 7.025 ( 2.755 0.479 3.355) 4.368 7.735 ( 4.820 2.726 3.118) 6.355 7.985 ( 4.451 -2.508 4.100) 6.551 8.162 ( -5.994 -2.793 -0.037) 6.613 8.467 ( -0.194 -1.045 5.675) 5.774 8.608 ( -0.930 -0.035 2.082) 2.281 8.695 ( -3.822 0.332 -1.464) 4.106 9.296 ( 11.270 -5.014 4.634) 13.176 22.523 ( 1.331 -0.542 -1.012) 1.757 22.652 ( -1.377 2.057 -1.081) 2.701 22.700 ( 0.462 -0.549 -3.492) 3.565 31.409 ( -1.848 -0.215 0.338) 1.891 31.597 ( 1.765 -0.255 0.858) 1.979 31.659 ( -0.163 0.494 0.979) 1.108 40.513 ( 0.541 -0.836 0.383) 1.067 40.566 ( 0.238 0.328 0.840) 0.933 40.713 ( -0.004 -0.547 -0.095) 0.555 41.293 ( -1.155 0.546 -1.623) 2.065 41.541 ( 1.355 0.725 0.233) 1.555 41.762 ( -0.176 -0.020 0.392) 0.430 46.854 ( 6.225 1.659 -2.001) 6.746 47.361 ( -3.116 6.481 3.057) 7.814 49.883 ( -5.976 -8.522 18.989) 21.654 87.542 ( 0.209 -0.020 -0.586) 0.623 87.557 ( 0.053 0.150 -0.239) 0.287 87.568 ( -0.078 -0.084 -0.150) 0.188======================= Grid point 68 (48/288) =======================q-point: (-0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( -19.298 0.000 0.000) 19.298 1.705 ( -28.088 0.000 0.000) 28.088 2.660 ( -9.260 0.000 0.000) 9.260 2.787 ( -0.349 0.000 0.000) 0.349 4.304 ( -5.281 0.000 0.000) 5.281 4.417 ( -11.177 0.000 0.000) 11.177 4.776 ( 6.771 -0.000 -0.000) 6.771 5.168 ( -0.910 0.000 0.000) 0.910 5.219 ( -0.074 0.000 0.000) 0.074 5.698 ( 1.829 -0.000 -0.000) 1.829 5.911 ( -7.248 0.000 0.000) 7.248 6.454 ( -10.944 0.000 0.000) 10.944 6.881 ( 16.718 -0.000 -0.000) 16.718 7.083 ( 3.605 -0.000 -0.000) 3.605 7.794 ( 1.607 -0.000 -0.000) 1.607 8.035 ( -0.112 0.000 0.000) 0.112 8.125 ( -0.072 0.000 0.000) 0.072 8.520 ( -0.780 0.000 0.000) 0.780 8.607 ( -1.172 0.000 0.000) 1.172 8.664 ( -2.038 0.000 0.000) 2.038 9.434 ( 13.383 -0.000 -0.000) 13.383 22.524 ( 1.606 -0.000 -0.000) 1.606 22.644 ( -1.034 0.000 0.000) 1.034 22.653 ( -1.094 0.000 0.000) 1.094 31.399 ( -1.796 0.000 0.000) 1.796 31.616 ( 1.750 -0.000 -0.000) 1.750 31.667 ( -0.195 0.000 0.000) 0.195 40.520 ( 0.831 -0.000 -0.000) 0.831 40.578 ( 0.461 -0.000 -0.000) 0.461 40.706 ( -0.651 0.000 0.000) 0.651 41.268 ( -1.692 0.000 0.000) 1.692 41.554 ( 1.413 -0.000 -0.000) 1.413 41.763 ( -0.211 0.000 0.000) 0.211 46.883 ( 6.647 -0.000 -0.000) 6.647 47.379 ( -3.448 0.000 0.000) 3.448 50.036 ( -1.605 0.000 0.000) 1.605 87.537 ( 0.073 -0.000 -0.000) 0.073 87.555 ( 0.079 -0.000 -0.000) 0.079 87.566 ( -0.087 0.000 0.000) 0.087======================= Grid point 77 (49/288) =======================q-point: ( 0.36 -0.64 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.748 ( 0.000 -5.276 3.361) 6.256 2.831 ( 0.000 -7.791 -12.306) 14.565 3.046 ( -0.000 -0.597 -16.056) 16.067 3.801 ( -0.000 1.021 -26.043) 26.063 4.249 ( 0.000 -2.656 2.199) 3.448 4.523 ( 0.000 -4.120 11.166) 11.902 5.354 ( 0.000 -12.866 7.597) 14.942 5.490 ( -0.000 -2.275 -9.354) 9.627 5.664 ( -0.000 4.104 -7.932) 8.931 5.964 ( 0.000 -3.315 10.232) 10.755 6.120 ( -0.000 7.926 0.032) 7.926 6.352 ( -0.000 -1.841 -15.524) 15.633 6.718 ( -0.000 -0.966 -6.655) 6.724 6.885 ( 0.000 0.363 7.548) 7.556 7.135 ( 0.000 2.161 7.257) 7.572 7.693 ( 0.000 -3.407 5.356) 6.347 7.806 ( 0.000 -0.675 12.419) 12.437 8.092 ( -0.000 12.428 1.974) 12.584 8.455 ( 0.000 -2.092 0.950) 2.298 8.724 ( -0.000 1.217 1.167) 1.686 9.500 ( 0.000 -11.303 -4.879) 12.311 22.651 ( 0.000 -1.649 -3.380) 3.761 22.801 ( -0.000 2.481 -2.673) 3.647 22.803 ( -0.000 -0.113 -1.719) 1.723 31.425 ( 0.000 -1.092 0.720) 1.308 31.469 ( 0.000 -0.571 2.439) 2.505 31.557 ( -0.000 1.553 1.667) 2.278 40.478 ( 0.000 -2.354 1.941) 3.051 40.496 ( 0.000 -3.023 1.692) 3.464 40.673 ( -0.000 2.060 0.618) 2.151 41.383 ( -0.000 0.337 -1.438) 1.477 41.490 ( -0.000 1.879 -0.115) 1.882 41.686 ( -0.000 0.745 2.137) 2.263 46.919 ( -0.000 4.690 -5.451) 7.191 47.030 ( -0.000 9.743 4.084) 10.565 49.023 ( 0.000 -16.980 22.851) 28.469 87.571 ( -0.000 0.098 -0.331) 0.345 87.575 ( -0.000 0.099 -0.773) 0.780 87.601 ( 0.000 -0.308 -0.818) 0.874======================= Grid point 79 (50/288) =======================q-point: (-0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -6.398 -12.065 -15.616) 20.745 2.696 ( 4.761 -5.697 -10.159) 12.582 2.884 ( -4.371 0.538 -0.551) 4.438 3.328 ( 1.399 2.681 -26.795) 26.965 4.291 ( -1.098 -0.809 3.336) 3.604 4.688 ( -1.452 -2.801 9.137) 9.667 5.160 ( 0.430 -0.082 -18.661) 18.666 5.489 ( -4.840 -2.360 -2.242) 5.833 5.545 ( 2.862 -4.927 0.963) 5.779 5.918 ( -1.825 -5.845 -14.865) 16.077 6.139 ( -2.167 5.399 -1.541) 6.018 6.281 ( 3.516 2.276 9.469) 10.354 6.612 ( -0.083 0.644 -4.308) 4.357 6.973 ( -2.603 0.992 2.695) 3.876 7.300 ( 5.948 2.405 7.564) 9.919 7.777 ( 0.193 -6.763 6.203) 9.179 8.060 ( -0.983 -2.224 16.144) 16.326 8.180 ( 0.933 7.762 3.129) 8.421 8.487 ( -0.030 -1.606 3.400) 3.761 8.747 ( -1.056 1.315 1.389) 2.185 9.340 ( 0.359 -11.060 -8.023) 13.669 22.588 ( 0.226 -1.632 -3.051) 3.467 22.751 ( -1.757 1.813 -2.671) 3.675 22.776 ( 1.815 0.777 -2.672) 3.322 31.433 ( -0.817 -0.830 0.827) 1.429 31.509 ( 0.752 -0.570 2.010) 2.221 31.596 ( -0.007 1.370 1.964) 2.394 40.501 ( -0.778 -2.108 1.627) 2.774 40.514 ( 0.956 -2.114 1.330) 2.674 40.691 ( -0.019 1.049 0.736) 1.282 41.359 ( -0.017 0.609 -1.506) 1.624 41.498 ( 0.304 1.964 0.034) 1.987 41.724 ( -0.017 0.529 1.747) 1.825 46.849 ( 1.451 3.866 -4.887) 6.398 47.158 ( -0.480 11.640 5.562) 12.910 49.361 ( -3.066 -17.504 23.902) 29.784 87.561 ( -0.012 0.067 -0.747) 0.750 87.566 ( 0.141 0.228 -0.401) 0.483 87.586 ( -0.028 -0.283 -0.694) 0.750======================= Grid point 80 (51/288) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( -8.893 -12.367 -16.631) 22.552 2.516 ( 6.119 -3.208 -11.484) 13.402 2.730 ( -14.410 0.598 -12.816) 19.294 3.049 ( 4.282 1.651 -5.018) 6.800 4.336 ( -1.571 0.221 2.657) 3.094 4.776 ( -4.154 -1.918 -2.674) 5.300 4.837 ( 2.142 0.992 -11.105) 11.353 5.340 ( -1.700 6.079 -9.245) 11.194 5.561 ( -2.390 -9.080 -8.562) 12.707 5.645 ( 1.698 -7.644 -1.804) 8.035 6.118 ( -6.541 3.901 0.259) 7.621 6.466 ( 3.142 2.554 4.268) 5.883 6.604 ( 2.235 3.269 3.156) 5.064 6.978 ( -3.404 -0.162 0.919) 3.529 7.481 ( 8.807 2.803 5.698) 10.857 7.863 ( 0.659 -6.622 6.154) 9.064 8.231 ( -2.608 1.212 3.566) 4.581 8.335 ( -0.491 -1.881 12.195) 12.349 8.555 ( 0.018 -1.098 4.450) 4.583 8.771 ( -2.614 1.551 1.902) 3.586 9.164 ( 4.834 -9.030 -7.848) 12.903 22.537 ( 0.521 -1.312 -2.256) 2.661 22.702 ( -1.450 1.750 -2.244) 3.194 22.739 ( 1.339 0.597 -2.984) 3.324 31.436 ( -1.370 -0.531 0.685) 1.621 31.545 ( 1.297 -0.416 1.440) 1.982 31.634 ( -0.057 0.973 1.729) 1.985 40.507 ( -0.235 -1.693 0.489) 1.778 40.540 ( 0.509 -0.911 1.482) 1.813 40.707 ( 0.029 0.167 0.657) 0.679 41.334 ( -0.322 0.679 -1.507) 1.684 41.510 ( 0.689 1.571 0.162) 1.723 41.750 ( -0.024 0.287 1.062) 1.101 46.799 ( 2.985 2.835 -3.749) 5.569 47.296 ( -1.343 10.832 5.334) 12.148 49.682 ( -4.567 -14.776 21.950) 26.851 87.549 ( 0.148 0.021 -0.688) 0.704 87.561 ( 0.048 0.281 -0.374) 0.470 87.574 ( -0.049 -0.235 -0.409) 0.474======================= Grid point 81 (52/288) =======================q-point: (-0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( -11.850 -8.259 -13.247) 19.599 2.283 ( -13.879 -0.829 -10.766) 17.585 2.507 ( 5.808 0.207 -6.267) 8.547 3.040 ( -5.729 0.198 1.259) 5.869 4.361 ( -2.163 0.492 1.372) 2.608 4.537 ( 5.088 0.343 -12.628) 13.619 4.833 ( -7.673 -0.262 2.262) 8.003 5.212 ( 0.256 5.890 -6.836) 9.027 5.326 ( -0.912 -6.609 -8.367) 10.701 5.665 ( -0.080 -6.090 2.686) 6.656 6.086 ( -9.040 2.579 0.574) 9.418 6.517 ( 5.815 2.033 -0.690) 6.199 6.705 ( -2.915 2.681 3.958) 5.599 6.991 ( 1.265 -0.377 1.961) 2.364 7.633 ( 9.250 2.319 3.195) 10.057 7.950 ( 1.051 -3.081 4.917) 5.897 8.233 ( -4.071 -2.360 -0.107) 4.707 8.484 ( -2.192 -1.758 6.630) 7.201 8.618 ( -0.490 -0.282 2.585) 2.646 8.751 ( -4.643 0.426 -2.388) 5.239 9.131 ( 12.656 -4.255 0.758) 13.374 22.507 ( 0.915 -0.707 -1.126) 1.614 22.669 ( -1.134 1.582 -1.222) 2.298 22.696 ( 0.277 -0.132 -2.405) 2.425 31.434 ( -1.712 -0.248 0.374) 1.770 31.574 ( 1.660 -0.216 0.777) 1.846 31.661 ( -0.114 0.496 0.999) 1.121 40.507 ( 0.282 -0.843 0.126) 0.898 40.562 ( 0.265 -0.186 0.943) 0.997 40.715 ( -0.155 -0.248 0.276) 0.403 41.308 ( -0.933 0.471 -1.132) 1.541 41.524 ( 1.053 0.842 0.153) 1.357 41.763 ( -0.099 0.081 0.408) 0.428 46.781 ( 4.392 1.552 -2.043) 5.086 47.398 ( -2.230 6.620 3.234) 7.698 49.943 ( -3.176 -8.494 14.816) 17.371 87.540 ( 0.129 -0.003 -0.462) 0.480 87.556 ( 0.030 0.156 -0.247) 0.294 87.569 ( -0.056 -0.103 -0.147) 0.188======================= Grid point 82 (53/288) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( -15.281 0.000 0.000) 15.281 2.051 ( -22.263 0.000 0.000) 22.263 2.521 ( 12.271 -0.000 -0.000) 12.271 2.986 ( -13.005 0.000 0.000) 13.005 4.357 ( -2.904 0.000 0.000) 2.904 4.461 ( 4.974 -0.000 -0.000) 4.974 4.792 ( -8.539 0.000 0.000) 8.539 5.165 ( 1.232 -0.000 -0.000) 1.232 5.230 ( -1.516 0.000 0.000) 1.516 5.680 ( 0.743 -0.000 -0.000) 0.743 6.032 ( -10.045 0.000 0.000) 10.045 6.546 ( 1.768 -0.000 -0.000) 1.768 6.725 ( 1.148 -0.000 -0.000) 1.148 7.036 ( 3.776 -0.000 -0.000) 3.776 7.727 ( 8.052 -0.000 -0.000) 8.052 8.003 ( 1.704 -0.000 -0.000) 1.704 8.185 ( -5.383 0.000 0.000) 5.383 8.536 ( -1.541 0.000 0.000) 1.541 8.625 ( -1.521 0.000 0.000) 1.521 8.694 ( -2.625 0.000 0.000) 2.625 9.242 ( 14.611 -0.000 -0.000) 14.611 22.504 ( 1.283 -0.000 -0.000) 1.283 22.657 ( -0.864 0.000 0.000) 0.864 22.666 ( -0.832 0.000 0.000) 0.832 31.424 ( -1.859 0.000 0.000) 1.859 31.592 ( 1.821 -0.000 -0.000) 1.821 31.670 ( -0.156 0.000 0.000) 0.156 40.510 ( 0.586 -0.000 -0.000) 0.586 40.573 ( 0.330 -0.000 -0.000) 0.330 40.713 ( -0.473 0.000 0.000) 0.473 41.289 ( -1.437 0.000 0.000) 1.437 41.535 ( 1.285 -0.000 -0.000) 1.285 41.766 ( -0.172 0.000 0.000) 0.172 46.799 ( 5.510 -0.000 -0.000) 5.510 47.423 ( -2.894 0.000 0.000) 2.894 50.056 ( -1.314 0.000 0.000) 1.314 87.536 ( 0.069 -0.000 -0.000) 0.069 87.554 ( 0.053 -0.000 -0.000) 0.053 87.567 ( -0.070 0.000 0.000) 0.070======================= Grid point 93 (54/288) =======================q-point: ( 0.43 -0.57 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 0.000 -13.405 -16.902) 21.572 2.459 ( -0.000 -1.923 -10.602) 10.775 2.880 ( -0.000 3.335 -22.689) 22.933 2.976 ( 0.000 -1.308 5.889) 6.033 4.347 ( 0.000 0.354 2.556) 2.580 4.777 ( -0.000 -3.808 -13.652) 14.173 4.849 ( -0.000 2.283 -0.186) 2.291 5.351 ( -0.000 6.678 -10.618) 12.543 5.592 ( 0.000 -7.214 -16.250) 17.779 5.617 ( 0.000 -9.403 5.960) 11.133 6.159 ( -0.000 4.672 -0.471) 4.696 6.481 ( 0.000 2.479 11.478) 11.743 6.555 ( -0.000 0.784 -2.075) 2.218 7.014 ( -0.000 1.942 0.259) 1.959 7.411 ( 0.000 1.706 6.213) 6.443 7.858 ( 0.000 -6.960 6.239) 9.347 8.247 ( -0.000 3.184 2.219) 3.880 8.342 ( 0.000 -3.408 14.758) 15.146 8.554 ( 0.000 -1.449 4.482) 4.710 8.790 ( -0.000 1.918 2.693) 3.306 9.128 ( 0.000 -9.140 -10.582) 13.983 22.533 ( 0.000 -1.388 -2.278) 2.667 22.721 ( -0.000 2.498 -2.656) 3.646 22.722 ( -0.000 -0.169 -2.402) 2.408 31.446 ( 0.000 -0.581 0.704) 0.912 31.535 ( 0.000 -0.364 1.403) 1.449 31.634 ( -0.000 0.974 1.741) 1.995 40.510 ( 0.000 -1.686 0.182) 1.696 40.536 ( 0.000 -1.132 1.823) 2.146 40.706 ( -0.000 0.251 0.671) 0.717 41.336 ( -0.000 0.637 -1.355) 1.497 41.506 ( -0.000 1.646 0.106) 1.649 41.751 ( -0.000 0.337 1.059) 1.111 46.779 ( -0.000 2.809 -3.787) 4.715 47.306 ( -0.000 10.933 5.428) 12.206 49.712 ( 0.000 -14.775 21.076) 25.739 87.548 ( -0.000 0.026 -0.684) 0.685 87.560 ( -0.000 0.283 -0.345) 0.446 87.575 ( 0.000 -0.243 -0.413) 0.479======================= Grid point 95 (55/288) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( -4.900 -8.611 -12.846) 16.223 2.317 ( 2.780 -0.751 -6.226) 6.860 2.555 ( -6.140 1.738 -11.565) 13.209 3.075 ( -0.522 -0.806 4.720) 4.817 4.382 ( -0.851 0.661 1.353) 1.729 4.474 ( 2.889 -0.446 -14.322) 14.618 4.914 ( -3.305 0.033 3.378) 4.726 5.204 ( 0.595 5.055 -8.134) 9.595 5.338 ( -0.661 -5.614 -8.318) 10.057 5.664 ( 0.109 -5.275 2.583) 5.874 6.162 ( -1.811 2.337 0.073) 2.958 6.514 ( -4.762 1.038 0.055) 4.874 6.687 ( 5.016 2.535 6.233) 8.393 7.010 ( -2.615 0.681 0.147) 2.706 7.523 ( 5.392 1.248 3.416) 6.504 7.944 ( 0.117 -3.329 5.372) 6.321 8.269 ( -1.222 -1.409 0.194) 1.875 8.515 ( -1.672 -2.524 6.526) 7.194 8.622 ( -0.078 -0.497 3.130) 3.170 8.829 ( -6.965 0.267 -0.394) 6.981 8.969 ( 10.578 -3.687 -3.601) 11.767 22.499 ( 0.326 -0.804 -1.195) 1.476 22.682 ( -0.715 0.608 -1.439) 1.718 22.692 ( 0.381 0.816 -1.780) 1.994 31.452 ( -0.821 -0.284 0.399) 0.955 31.556 ( 0.803 -0.178 0.730) 1.100 31.662 ( -0.041 0.497 1.010) 1.126 40.505 ( 0.082 -0.826 -0.067) 0.833 40.559 ( 0.116 -0.494 1.084) 1.197 40.716 ( -0.080 -0.083 0.398) 0.414 41.317 ( -0.363 0.423 -0.886) 1.046 41.514 ( 0.407 0.915 0.094) 1.006 41.764 ( -0.032 0.140 0.434) 0.457 46.740 ( 1.581 1.506 -2.080) 3.016 47.419 ( -0.805 6.681 3.329) 7.507 49.971 ( -1.012 -8.508 13.016) 15.583 87.538 ( 0.044 0.006 -0.405) 0.407 87.556 ( 0.010 0.160 -0.250) 0.297 87.569 ( -0.020 -0.112 -0.147) 0.186======================= Grid point 96 (56/288) =======================q-point: (-0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.663 ( -9.227 0.000 0.000) 9.227 2.255 ( -4.525 0.000 0.000) 4.525 2.428 ( -1.439 0.000 0.000) 1.439 3.101 ( -4.610 0.000 0.000) 4.610 4.366 ( 5.033 -0.000 -0.000) 5.033 4.391 ( -0.379 0.000 0.000) 0.379 4.909 ( -6.822 0.000 0.000) 6.822 5.143 ( 1.665 -0.000 -0.000) 1.665 5.250 ( -1.170 0.000 0.000) 1.170 5.676 ( 0.028 -0.000 -0.000) 0.028 6.147 ( -5.183 0.000 0.000) 5.183 6.496 ( -0.329 0.000 0.000) 0.329 6.764 ( -0.431 0.000 0.000) 0.431 7.002 ( -0.305 0.000 0.000) 0.305 7.605 ( 8.614 -0.000 -0.000) 8.614 7.995 ( 0.007 -0.000 -0.000) 0.007 8.243 ( -3.055 0.000 0.000) 3.055 8.557 ( -1.352 0.000 0.000) 1.352 8.644 ( -1.169 0.000 0.000) 1.169 8.747 ( -5.631 0.000 0.000) 5.631 9.049 ( 13.509 -0.000 -0.000) 13.509 22.490 ( 0.708 -0.000 -0.000) 0.708 22.667 ( -0.494 0.000 0.000) 0.494 22.675 ( -0.441 0.000 0.000) 0.441 31.447 ( -1.411 0.000 0.000) 1.411 31.569 ( 1.390 -0.000 -0.000) 1.390 31.671 ( -0.087 0.000 0.000) 0.087 40.504 ( 0.299 -0.000 -0.000) 0.299 40.569 ( 0.178 -0.000 -0.000) 0.178 40.718 ( -0.260 0.000 0.000) 0.260 41.305 ( -0.854 0.000 0.000) 0.854 41.521 ( 0.799 -0.000 -0.000) 0.799 41.768 ( -0.097 0.000 0.000) 0.097 46.740 ( 3.106 -0.000 -0.000) 3.106 47.454 ( -1.635 0.000 0.000) 1.635 50.070 ( -0.740 0.000 0.000) 0.740 87.535 ( 0.042 -0.000 -0.000) 0.042 87.554 ( 0.025 -0.000 -0.000) 0.025 87.568 ( -0.039 0.000 0.000) 0.039======================= Grid point 110 (57/288) =======================q-point: (-0.50 0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 400Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.728 ( 0.000 -0.000 -0.000) 0.000 2.252 ( 0.000 -0.000 -0.000) 0.000 2.472 ( 0.000 -0.000 -0.000) 0.000 3.129 ( 0.000 -0.000 -0.000) 0.000 4.324 ( 0.000 -0.000 -0.000) 0.000 4.399 ( 0.000 -0.000 -0.000) 0.000 4.957 ( 0.000 -0.000 -0.000) 0.000 5.129 ( 0.000 -0.000 -0.000) 0.000 5.258 ( 0.000 -0.000 -0.000) 0.000 5.676 ( 0.000 -0.000 -0.000) 0.000 6.171 ( 0.000 -0.000 -0.000) 0.000 6.534 ( 0.000 -0.000 -0.000) 0.000 6.736 ( -0.000 0.000 0.000) 0.000 7.021 ( 0.000 -0.000 -0.000) 0.000 7.537 ( 0.000 -0.000 -0.000) 0.000 7.996 ( 0.000 -0.000 -0.000) 0.000 8.264 ( 0.000 -0.000 -0.000) 0.000 8.567 ( 0.000 -0.000 -0.000) 0.000 8.653 ( 0.000 -0.000 -0.000) 0.000 8.824 ( 0.000 -0.000 -0.000) 0.000 8.917 ( -0.000 0.000 0.000) 0.000 22.485 ( 0.000 -0.000 -0.000) 0.000 22.670 ( 0.000 -0.000 -0.000) 0.000 22.678 ( 0.000 -0.000 -0.000) 0.000 31.458 ( 0.000 -0.000 -0.000) 0.000 31.559 ( 0.000 -0.000 -0.000) 0.000 31.672 ( 0.000 -0.000 -0.000) 0.000 40.502 ( 0.000 -0.000 -0.000) 0.000 40.568 ( 0.000 -0.000 -0.000) 0.000 40.720 ( 0.000 -0.000 -0.000) 0.000 41.311 ( 0.000 -0.000 -0.000) 0.000 41.515 ( 0.000 -0.000 -0.000) 0.000 41.768 ( 0.000 -0.000 -0.000) 0.000 46.719 ( 0.000 -0.000 -0.000) 0.000 47.466 ( 0.000 -0.000 -0.000) 0.000 50.075 ( 0.000 -0.000 -0.000) 0.000 87.535 ( 0.000 -0.000 -0.000) 0.000 87.554 ( 0.000 -0.000 -0.000) 0.000 87.568 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 220 (58/288) =======================q-point: ( 0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 0.000 -0.000 27.677) 27.677 1.548 ( 0.000 -0.000 27.677) 27.677 2.998 ( 0.000 -0.000 47.608) 47.608 3.837 ( -0.000 0.000 -0.206) 0.206 3.837 ( 0.000 -0.000 -0.206) 0.206 3.962 ( 0.000 -0.000 8.977) 8.977 5.131 ( -0.000 0.000 -3.015) 3.015 5.131 ( 0.000 0.000 -3.015) 3.015 5.809 ( -0.000 0.000 3.050) 3.050 5.809 ( 0.000 -0.000 3.050) 3.050 5.944 ( -0.000 0.000 -5.731) 5.731 6.700 ( 0.000 -0.000 9.253) 9.253 7.061 ( 0.000 0.000 0.243) 0.243 7.061 ( 0.000 -0.000 0.243) 0.243 7.690 ( -0.000 0.000 -1.456) 1.456 7.690 ( 0.000 -0.000 -1.456) 1.456 7.830 ( -0.000 0.000 -2.254) 2.254 8.017 ( -0.000 0.000 -14.313) 14.313 8.519 ( -0.000 0.000 -0.451) 0.451 8.519 ( 0.000 -0.000 -0.451) 0.451 9.109 ( 0.000 -0.000 6.410) 6.410 22.651 ( 0.000 -0.000 2.341) 2.341 22.651 ( 0.000 -0.000 2.341) 2.341 23.080 ( -0.000 0.000 -2.145) 2.145 31.328 ( -0.000 0.000 -0.434) 0.434 31.592 ( -0.000 0.000 -2.163) 2.163 31.592 ( -0.000 0.000 -2.163) 2.163 40.525 ( -0.000 0.000 -0.870) 0.870 40.525 ( 0.000 0.000 -0.870) 0.870 40.801 ( -0.000 0.000 -3.160) 3.160 41.537 ( -0.000 0.000 -1.354) 1.354 41.573 ( -0.000 0.000 -1.010) 1.010 41.573 ( -0.000 0.000 -1.010) 1.010 47.223 ( -0.000 0.000 -2.471) 2.471 47.223 ( 0.000 -0.000 -2.471) 2.471 47.623 ( 0.000 -0.000 2.536) 2.536 87.570 ( 0.000 -0.000 0.379) 0.379 87.570 ( 0.000 -0.000 0.379) 0.379 87.617 ( 0.000 -0.000 0.767) 0.767======================= Grid point 221 (59/288) =======================q-point: ( 0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( -1.717 -0.991 23.313) 23.397 2.066 ( 6.430 3.712 24.907) 25.990 3.739 ( -3.385 -1.954 28.651) 28.917 3.830 ( -3.178 -1.835 2.180) 4.268 3.857 ( 5.094 2.941 8.576) 10.400 4.127 ( 2.075 1.198 6.727) 7.141 5.039 ( -2.586 -1.493 -3.774) 4.813 5.114 ( 4.855 2.803 -2.108) 5.989 5.808 ( -3.697 -2.134 -3.546) 5.549 5.834 ( -3.510 -2.026 3.320) 5.239 5.929 ( 8.514 4.916 -0.387) 9.839 6.729 ( -15.448 -8.919 4.896) 18.497 7.048 ( -3.055 -1.764 -0.180) 3.532 7.145 ( 11.444 6.607 -0.332) 13.219 7.646 ( -0.205 -0.118 -2.413) 2.425 7.664 ( 0.463 0.268 -3.334) 3.376 7.742 ( -0.871 -0.503 -15.903) 15.935 7.799 ( 5.333 3.079 -3.040) 6.868 8.506 ( -1.986 -1.146 0.714) 2.401 8.538 ( 2.015 1.163 0.914) 2.500 9.248 ( -0.366 -0.211 8.995) 9.005 22.695 ( 0.031 0.018 2.673) 2.673 22.697 ( 0.070 0.040 2.692) 2.693 23.033 ( -1.155 -0.667 -2.424) 2.767 31.323 ( 0.222 0.128 -0.237) 0.349 31.547 ( -0.579 -0.334 -2.269) 2.365 31.557 ( 0.464 0.268 -2.113) 2.180 40.500 ( -1.293 -0.747 -0.834) 1.710 40.522 ( 1.070 0.618 -0.465) 1.320 40.733 ( -0.676 -0.390 -4.006) 4.082 41.502 ( -2.765 -1.597 -0.263) 3.204 41.553 ( -0.136 -0.079 -1.145) 1.155 41.570 ( 2.804 1.619 -1.657) 3.637 47.132 ( -4.500 -2.598 -3.450) 6.237 47.221 ( 5.446 3.144 -2.395) 6.729 47.710 ( 4.204 2.427 4.150) 6.387 87.576 ( -0.184 -0.106 0.380) 0.435 87.579 ( 0.196 0.113 0.433) 0.489 87.629 ( -0.202 -0.117 0.723) 0.760======================= Grid point 222 (60/288) =======================q-point: ( 0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( -2.521 -1.455 16.388) 16.644 2.524 ( 7.347 4.242 19.117) 20.914 3.813 ( -1.853 -1.070 1.744) 2.760 3.872 ( -1.655 -0.956 4.988) 5.342 4.213 ( -0.739 -0.426 2.016) 2.189 4.353 ( 2.404 1.388 23.912) 24.073 4.983 ( -1.336 -0.771 0.021) 1.543 5.147 ( 5.708 3.296 0.320) 6.599 5.724 ( -1.690 -0.976 -2.300) 3.017 5.840 ( -4.099 -2.367 0.809) 4.802 5.999 ( 7.889 4.555 -0.094) 9.110 6.657 ( -11.118 -6.419 1.351) 12.909 6.984 ( -5.989 -3.458 -2.639) 7.402 7.199 ( 3.695 2.133 -1.941) 4.687 7.451 ( -1.490 -0.860 -15.162) 15.259 7.602 ( 0.967 0.558 -2.947) 3.152 7.611 ( 1.533 0.885 -2.172) 2.802 7.816 ( 10.257 5.922 -3.560) 12.368 8.510 ( -2.235 -1.291 1.836) 3.168 8.581 ( 1.655 0.955 1.691) 2.552 9.405 ( -1.648 -0.952 9.304) 9.496 22.744 ( 0.215 0.124 2.634) 2.646 22.745 ( -0.019 -0.011 2.522) 2.522 22.978 ( -1.157 -0.668 -2.531) 2.862 31.325 ( 0.371 0.214 0.165) 0.459 31.503 ( -0.716 -0.413 -2.014) 2.177 31.527 ( 0.487 0.281 -1.702) 1.792 40.473 ( -1.628 -0.940 -0.675) 1.997 40.528 ( 1.172 0.677 -0.022) 1.353 40.655 ( -0.635 -0.367 -3.898) 3.966 41.481 ( -2.072 -1.196 0.169) 2.399 41.532 ( -0.047 -0.027 -1.069) 1.071 41.564 ( 2.145 1.239 -1.487) 2.889 47.026 ( -4.509 -2.603 -3.730) 6.405 47.233 ( 7.166 4.137 -2.806) 8.737 47.835 ( 2.526 1.458 6.565) 7.184 87.580 ( -0.221 -0.127 0.302) 0.395 87.588 ( 0.261 0.151 0.387) 0.491 87.638 ( -0.305 -0.176 0.504) 0.615======================= Grid point 223 (61/288) =======================q-point: ( 0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( -3.894 -2.248 8.661) 9.758 2.860 ( 7.347 4.242 11.285) 14.118 3.850 ( -2.075 -1.198 4.686) 5.263 3.962 ( -2.252 -1.300 5.751) 6.312 4.189 ( -0.628 -0.362 -3.035) 3.121 4.662 ( -0.501 -0.289 9.984) 10.000 5.022 ( 0.196 0.113 4.663) 4.669 5.218 ( 3.916 2.261 2.582) 5.207 5.713 ( 0.718 0.415 1.701) 1.892 5.789 ( -5.503 -3.177 -1.213) 6.469 6.069 ( 6.922 3.996 0.216) 7.995 6.599 ( -4.526 -2.613 0.351) 5.238 6.859 ( -6.674 -3.853 -3.948) 8.659 7.138 ( -4.410 -2.546 -3.985) 6.466 7.191 ( -1.938 -1.119 -12.083) 12.288 7.601 ( 2.205 1.273 -0.969) 2.725 7.602 ( 5.007 2.891 -0.520) 5.805 7.850 ( 12.332 7.120 -3.985) 14.787 8.523 ( -2.092 -1.208 1.605) 2.900 8.619 ( 0.446 0.257 1.378) 1.471 9.533 ( -3.265 -1.885 7.435) 8.336 22.782 ( -0.133 -0.077 1.707) 1.714 22.789 ( 0.285 0.165 2.131) 2.156 22.924 ( -0.707 -0.408 -2.503) 2.633 31.336 ( 0.394 0.228 0.708) 0.842 31.465 ( -0.806 -0.465 -1.474) 1.743 31.507 ( 0.512 0.296 -1.049) 1.204 40.448 ( -1.767 -1.020 -0.393) 2.078 40.541 ( 1.071 0.618 0.252) 1.262 40.591 ( -0.266 -0.154 -2.633) 2.651 41.466 ( -1.422 -0.821 -0.136) 1.648 41.515 ( 0.161 0.093 -0.887) 0.906 41.561 ( 1.371 0.791 -0.524) 1.667 46.926 ( -3.713 -2.144 -3.148) 5.319 47.244 ( 8.190 4.729 -3.946) 10.247 47.986 ( -1.099 -0.635 9.704) 9.787 87.582 ( -0.220 -0.127 0.157) 0.298 87.597 ( 0.311 0.180 0.230) 0.426 87.641 ( -0.341 -0.197 0.166) 0.427======================= Grid point 224 (62/288) =======================q-point: ( 0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.574 ( -4.544 -2.623 3.505) 6.310 3.057 ( 6.139 3.545 4.109) 8.194 3.932 ( -4.022 -2.322 7.099) 8.483 3.936 ( -3.942 -2.276 -6.391) 7.846 4.173 ( 1.206 0.697 1.500) 2.047 4.719 ( -1.417 -0.818 -1.655) 2.328 5.127 ( -0.349 -0.201 6.518) 6.531 5.310 ( 0.698 0.403 5.521) 5.579 5.716 ( -5.377 -3.104 -1.016) 6.291 5.788 ( 3.133 1.809 4.162) 5.515 6.102 ( 2.315 1.337 -2.129) 3.418 6.587 ( -0.100 -0.058 0.380) 0.397 6.777 ( -2.346 -1.354 0.594) 2.773 7.003 ( -1.859 -1.073 -6.472) 6.819 7.004 ( -6.213 -3.587 -5.180) 8.848 7.612 ( 1.905 1.100 0.049) 2.200 7.644 ( 4.435 2.560 -0.103) 5.122 7.905 ( 13.959 8.059 -3.120) 16.418 8.522 ( -1.837 -1.061 0.138) 2.126 8.635 ( -0.941 -0.543 0.801) 1.350 9.603 ( -4.832 -2.790 4.416) 7.116 22.799 ( -0.309 -0.179 0.347) 0.498 22.818 ( 0.042 0.024 0.552) 0.554 22.881 ( 0.151 0.087 -1.681) 1.690 31.356 ( 0.140 0.081 1.171) 1.182 31.438 ( -0.680 -0.393 -0.642) 1.015 31.500 ( 0.535 0.309 -0.294) 0.684 40.430 ( -1.555 -0.898 0.214) 1.809 40.554 ( 0.742 0.429 0.277) 0.901 40.561 ( 0.082 0.047 -0.724) 0.730 41.449 ( -0.737 -0.426 -0.660) 1.077 41.504 ( 0.442 0.255 -0.698) 0.864 41.571 ( 0.598 0.345 0.724) 1.000 46.855 ( -2.191 -1.265 -1.750) 3.077 47.237 ( 8.313 4.800 -5.320) 10.975 48.156 ( -5.531 -3.194 12.692) 14.208 87.581 ( -0.177 -0.102 -0.023) 0.205 87.602 ( 0.335 0.194 -0.017) 0.388 87.638 ( -0.299 -0.173 -0.201) 0.400======================= Grid point 225 (63/288) =======================q-point: (-0.57 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -5.281 -3.049 1.374) 6.251 3.103 ( 1.332 0.769 -3.635) 3.947 3.744 ( 1.527 0.882 -12.260) 12.387 4.002 ( -7.275 -4.200 5.643) 10.120 4.200 ( -1.354 -0.782 1.025) 1.869 4.614 ( 0.561 0.324 -8.801) 8.825 5.223 ( -4.241 -2.448 6.130) 7.846 5.417 ( -2.580 -1.490 6.986) 7.595 5.668 ( -3.185 -1.839 0.033) 3.678 5.863 ( 0.355 0.205 -0.255) 0.483 6.071 ( 2.270 1.311 -0.200) 2.629 6.587 ( 0.822 0.475 -1.921) 2.143 6.797 ( -2.076 -1.199 1.172) 2.668 6.863 ( -2.523 -1.457 -5.267) 6.019 6.993 ( 3.387 1.955 6.382) 7.485 7.634 ( 1.308 0.755 0.719) 1.672 7.670 ( 2.225 1.285 -0.144) 2.574 7.991 ( 13.384 7.727 -1.177) 15.499 8.495 ( -1.583 -0.914 -1.306) 2.247 8.635 ( -1.994 -1.151 0.714) 2.411 9.603 ( -6.153 -3.552 1.233) 7.211 22.788 ( -0.477 -0.275 -1.220) 1.338 22.799 ( -0.209 -0.121 -2.149) 2.162 22.877 ( 1.044 0.603 0.108) 1.211 31.373 ( -0.757 -0.437 0.881) 1.241 31.436 ( 0.054 0.031 0.910) 0.912 31.506 ( 0.563 0.325 0.439) 0.784 40.430 ( -1.150 -0.664 1.092) 1.720 40.562 ( 0.287 0.166 0.095) 0.344 40.566 ( 0.389 0.224 1.044) 1.137 41.430 ( -0.114 -0.066 -0.983) 0.992 41.499 ( 0.765 0.442 -0.487) 1.009 41.596 ( 0.035 0.020 1.728) 1.728 46.829 ( -0.264 -0.152 0.160) 0.344 47.205 ( 7.746 4.472 -6.331) 10.958 48.332 ( -10.383 -5.994 15.217) 19.372 87.578 ( -0.101 -0.058 -0.191) 0.223 87.602 ( 0.311 0.179 -0.292) 0.463 87.629 ( -0.165 -0.095 -0.523) 0.557======================= Grid point 226 (64/288) =======================q-point: (-0.50 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( -7.740 -4.469 -0.023) 8.937 2.933 ( -5.876 -3.393 -12.950) 14.620 3.554 ( 6.687 3.861 -13.592) 15.632 3.963 ( -7.449 -4.301 -3.772) 9.392 4.201 ( -1.383 -0.799 1.193) 1.994 4.454 ( -0.412 -0.238 -8.261) 8.275 5.265 ( -8.556 -4.940 5.492) 11.304 5.484 ( -5.239 -3.025 3.433) 6.956 5.649 ( -0.556 -0.321 -1.060) 1.239 5.790 ( -2.823 -1.630 -3.326) 4.656 6.163 ( 4.878 2.817 4.512) 7.217 6.485 ( -1.674 -0.966 -9.055) 9.259 6.804 ( -2.545 -1.469 2.956) 4.168 6.813 ( 6.194 3.576 -2.487) 7.573 7.225 ( 6.650 3.840 12.474) 14.648 7.661 ( 0.533 0.308 1.484) 1.607 7.696 ( 0.120 0.069 2.431) 2.435 8.100 ( 10.367 5.985 1.237) 12.034 8.456 ( -1.274 -0.736 -1.402) 2.033 8.626 ( -2.891 -1.669 0.717) 3.415 9.540 ( -7.091 -4.094 -1.318) 8.294 22.749 ( -0.490 -0.283 -2.535) 2.597 22.753 ( -0.041 -0.023 -2.704) 2.704 22.889 ( 1.582 0.913 -0.276) 1.847 31.374 ( -1.373 -0.793 0.506) 1.664 31.469 ( 0.505 0.292 2.274) 2.348 31.525 ( 0.608 0.351 1.050) 1.263 40.447 ( -0.802 -0.463 1.720) 1.953 40.562 ( -0.108 -0.062 -0.159) 0.202 40.601 ( 0.756 0.436 2.242) 2.406 41.412 ( 0.413 0.238 -1.236) 1.325 41.501 ( 1.098 0.634 -0.177) 1.281 41.632 ( -0.325 -0.188 2.384) 2.414 46.856 ( 1.582 0.913 2.110) 2.791 47.156 ( 6.939 4.006 -6.593) 10.377 48.506 ( -15.491 -8.944 17.597) 25.092 87.573 ( -0.010 -0.006 -0.305) 0.305 87.597 ( 0.215 0.124 -0.505) 0.563 87.617 ( 0.056 0.032 -0.774) 0.777======================= Grid point 227 (65/288) =======================q-point: (-0.43 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( -12.817 -7.400 -2.638) 15.033 2.565 ( -10.740 -6.201 -19.334) 22.970 3.376 ( 9.022 5.209 -14.175) 17.592 3.712 ( -2.060 -1.189 -19.519) 19.664 4.223 ( -0.808 -0.466 2.117) 2.314 4.332 ( -8.757 -5.056 -1.128) 10.174 5.284 ( -8.938 -5.161 5.972) 11.924 5.425 ( -5.588 -3.226 -3.741) 7.458 5.591 ( 0.661 0.381 -5.884) 5.933 5.758 ( -0.902 -0.521 1.251) 1.628 6.271 ( 0.673 0.389 4.370) 4.438 6.275 ( -0.518 -0.299 -13.011) 13.025 6.853 ( -0.745 -0.430 3.845) 3.940 6.854 ( 11.758 6.788 -2.314) 13.772 7.507 ( 7.870 4.544 10.644) 13.995 7.704 ( -0.928 -0.536 4.323) 4.454 7.773 ( -2.156 -1.245 7.233) 7.649 8.215 ( 6.167 3.560 3.114) 7.772 8.435 ( -0.776 -0.448 0.358) 0.964 8.607 ( -3.835 -2.214 0.587) 4.467 9.439 ( -7.459 -4.306 -2.304) 8.915 22.694 ( -0.240 -0.138 -3.211) 3.223 22.705 ( -0.005 -0.003 -2.669) 2.669 22.893 ( 2.390 1.380 -1.276) 3.041 31.371 ( -1.467 -0.847 0.562) 1.784 31.519 ( 0.464 0.268 2.746) 2.797 31.553 ( 0.672 0.388 1.450) 1.644 40.473 ( -0.555 -0.320 1.823) 1.933 40.556 ( -0.263 -0.152 -0.316) 0.438 40.654 ( 1.163 0.671 2.617) 2.941 41.393 ( 0.856 0.494 -1.642) 1.917 41.512 ( 1.367 0.789 0.216) 1.593 41.673 ( -0.586 -0.338 2.609) 2.696 46.928 ( 2.865 1.654 3.628) 4.909 47.102 ( 6.252 3.610 -6.010) 9.393 48.679 ( -20.694 -11.948 20.481) 31.472 87.568 ( 0.071 0.041 -0.344) 0.354 87.589 ( 0.077 0.044 -0.576) 0.583 87.603 ( 0.305 0.176 -0.974) 1.036======================= Grid point 228 (66/288) =======================q-point: (-0.36 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( -14.286 -8.248 -22.370) 27.794 2.185 ( -19.000 -10.970 -7.515) 23.190 3.233 ( 11.851 6.842 -12.120) 18.280 3.251 ( -4.010 -2.315 -28.959) 29.327 4.241 ( -13.396 -7.734 1.996) 15.597 4.244 ( -2.178 -1.257 1.344) 2.851 5.293 ( -3.223 -1.861 -5.897) 6.973 5.309 ( -3.360 -1.940 1.792) 4.273 5.482 ( 0.154 0.089 -4.555) 4.558 5.789 ( 0.748 0.432 1.775) 1.974 6.016 ( 1.135 0.655 -16.528) 16.580 6.317 ( -4.503 -2.600 2.617) 5.821 6.917 ( 0.879 0.508 3.141) 3.301 6.951 ( 14.718 8.498 -0.058) 16.995 7.666 ( 3.383 1.953 1.893) 4.340 7.858 ( 2.861 1.652 11.410) 11.879 7.891 ( -4.773 -2.755 8.609) 10.222 8.314 ( 1.064 0.615 4.323) 4.495 8.458 ( -0.331 -0.191 2.781) 2.807 8.583 ( -3.999 -2.309 1.030) 4.732 9.344 ( -7.276 -4.201 -0.256) 8.405 22.637 ( 0.243 0.140 -3.098) 3.110 22.660 ( -0.065 -0.037 -2.299) 2.300 22.884 ( 3.472 2.004 -2.881) 4.937 31.368 ( -1.406 -0.812 0.586) 1.726 31.571 ( 0.320 0.185 2.675) 2.700 31.587 ( 0.737 0.425 1.557) 1.774 40.499 ( -0.318 -0.184 1.611) 1.652 40.548 ( -0.118 -0.068 -0.284) 0.315 40.709 ( 1.515 0.875 2.028) 2.678 41.367 ( 1.254 0.724 -2.375) 2.782 41.532 ( 1.472 0.850 0.535) 1.782 41.711 ( -0.793 -0.458 2.323) 2.497 47.029 ( 3.294 1.902 4.390) 5.809 47.060 ( 5.722 3.304 -4.776) 8.152 48.869 ( -25.714 -14.846 24.935) 38.773 87.563 ( 0.124 0.072 -0.310) 0.342 87.579 ( -0.046 -0.027 -0.518) 0.520 87.588 ( 0.513 0.296 -1.118) 1.265======================= Grid point 229 (67/288) =======================q-point: (-0.29 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -17.176 -9.917 -22.045) 29.654 1.799 ( -22.235 -12.837 -15.197) 29.835 2.633 ( -16.614 -9.592 -29.443) 35.141 3.171 ( 14.700 8.487 -8.324) 18.906 4.161 ( -12.828 -7.406 2.334) 14.996 4.226 ( -4.696 -2.711 0.214) 5.426 5.174 ( -0.590 -0.341 -5.364) 5.407 5.245 ( 5.782 3.338 -8.609) 10.894 5.480 ( -1.504 -0.868 1.393) 2.226 5.738 ( 0.969 0.560 -13.165) 13.212 5.820 ( 2.113 1.220 -0.145) 2.444 6.288 ( -7.352 -4.245 0.572) 8.509 6.980 ( 1.162 0.671 2.854) 3.154 7.113 ( 15.508 8.953 2.701) 18.109 7.706 ( 0.051 0.029 1.590) 1.591 7.957 ( -6.886 -3.976 4.241) 9.012 8.080 ( 5.735 3.311 8.371) 10.674 8.391 ( -4.035 -2.330 6.156) 7.720 8.517 ( -0.480 -0.277 3.800) 3.840 8.577 ( -2.741 -1.582 1.711) 3.597 9.329 ( -7.471 -4.313 6.973) 11.092 22.592 ( 0.772 0.446 -2.339) 2.503 22.624 ( -0.131 -0.075 -1.704) 1.711 22.848 ( 4.559 2.632 -5.522) 7.629 31.366 ( -1.260 -0.728 0.482) 1.533 31.617 ( 0.158 0.091 2.156) 2.164 31.620 ( 0.773 0.446 1.326) 1.598 40.525 ( -0.050 -0.029 1.466) 1.467 40.545 ( 0.223 0.129 -0.151) 0.298 40.747 ( 1.727 0.997 0.357) 2.026 41.329 ( 1.513 0.873 -3.505) 3.916 41.556 ( 1.366 0.789 0.620) 1.695 41.739 ( -0.856 -0.494 1.623) 1.900 47.038 ( 5.033 2.906 -3.165) 6.618 47.135 ( 2.857 1.649 4.300) 5.420 49.123 ( -29.500 -17.032 32.868) 47.335 87.559 ( 0.140 0.081 -0.221) 0.274 87.569 ( 0.049 0.028 -0.696) 0.698 87.574 ( 0.481 0.278 -0.920) 1.075======================= Grid point 230 (68/288) =======================q-point: (-0.21 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( -20.316 -11.729 -17.376) 29.193 1.249 ( -21.595 -12.468 -23.885) 34.529 1.960 ( -35.627 -20.569 -18.091) 44.941 3.203 ( 16.505 9.529 -4.024) 19.478 4.096 ( -10.195 -5.886 2.114) 11.961 4.174 ( -7.094 -4.095 0.018) 8.191 5.098 ( 1.001 0.578 -3.238) 3.438 5.153 ( 7.735 4.466 -8.670) 12.447 5.332 ( 1.241 0.716 -13.721) 13.796 5.713 ( -1.936 -1.118 7.073) 7.418 5.811 ( 2.534 1.463 -3.370) 4.463 6.226 ( -6.835 -3.946 0.094) 7.893 7.034 ( 0.532 0.307 2.281) 2.362 7.310 ( 14.988 8.653 3.452) 17.647 7.730 ( -1.237 -0.714 1.746) 2.255 7.924 ( -7.344 -4.240 -0.169) 8.482 8.247 ( 6.519 3.764 4.210) 8.625 8.462 ( -4.124 -2.381 5.999) 7.659 8.570 ( -1.000 -0.577 2.617) 2.860 8.587 ( -1.740 -1.004 1.385) 2.440 9.489 ( -6.642 -3.835 18.813) 20.316 22.569 ( 1.114 0.643 -1.256) 1.798 22.598 ( -0.129 -0.075 -0.939) 0.950 22.759 ( 4.009 2.315 -9.057) 10.171 31.362 ( -1.055 -0.609 0.266) 1.247 31.646 ( 0.776 0.448 0.772) 1.183 31.649 ( 0.008 0.005 1.286) 1.286 40.546 ( 0.555 0.320 -0.140) 0.656 40.553 ( 0.116 0.067 1.826) 1.831 40.743 ( 1.475 0.852 -2.788) 3.267 41.270 ( 0.861 0.497 -4.214) 4.329 41.577 ( 1.093 0.631 0.454) 1.341 41.753 ( -0.605 -0.350 0.832) 1.087 47.039 ( 3.700 2.136 -1.179) 4.432 47.226 ( 1.767 1.020 3.471) 4.027 49.545 ( -25.485 -14.714 43.545) 52.556 87.553 ( 0.447 0.258 -1.269) 1.370 87.558 ( 0.122 0.070 -0.097) 0.171 87.566 ( 0.018 0.010 -0.288) 0.288======================= Grid point 231 (69/288) =======================q-point: (-0.14 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( -23.199 -13.394 -2.235) 26.881 0.695 ( -25.334 -14.627 -5.292) 29.729 1.420 ( -48.333 -27.905 2.298) 55.858 3.319 ( 16.819 9.710 -0.038) 19.421 4.045 ( -6.434 -3.715 -0.459) 7.443 4.103 ( -9.043 -5.221 0.230) 10.444 5.073 ( 5.416 3.127 -3.541) 7.187 5.082 ( 1.221 0.705 0.385) 1.461 5.211 ( -3.389 -1.957 3.944) 5.556 5.753 ( 3.039 1.755 -5.523) 6.543 5.823 ( -1.812 -1.046 5.977) 6.332 6.173 ( -4.568 -2.638 -0.380) 5.289 7.066 ( -0.071 -0.041 1.109) 1.112 7.481 ( 12.836 7.411 0.838) 14.845 7.744 ( -1.931 -1.115 1.404) 2.635 7.841 ( -5.904 -3.409 -1.979) 7.099 8.344 ( 5.964 3.443 0.190) 6.889 8.515 ( 0.399 0.230 0.225) 0.513 8.582 ( -1.888 -1.090 -0.759) 2.308 8.584 ( -1.305 -0.754 0.173) 1.517 9.744 ( 5.339 3.082 -3.620) 7.149 22.567 ( 1.137 0.656 -0.149) 1.321 22.608 ( 0.005 0.003 4.651) 4.651 22.631 ( -1.477 -0.853 -3.657) 4.035 31.356 ( -0.808 -0.466 -0.006) 0.933 31.659 ( 0.777 0.449 -0.203) 0.920 31.662 ( -0.120 -0.069 0.226) 0.265 40.548 ( 0.727 0.420 -0.393) 0.927 40.596 ( 0.767 0.443 1.509) 1.750 40.681 ( -0.977 -0.564 -1.387) 1.788 41.221 ( -1.046 -0.604 0.468) 1.295 41.590 ( 0.748 0.432 0.128) 0.873 41.757 ( -0.145 -0.084 -0.138) 0.217 47.065 ( 1.814 1.047 1.554) 2.608 47.286 ( 0.327 0.189 2.139) 2.172 49.992 ( -1.156 -0.667 -3.672) 3.907 87.538 ( 0.025 0.015 -0.046) 0.054 87.558 ( 0.078 0.045 0.046) 0.101 87.563 ( -0.063 -0.037 0.000) 0.073======================= Grid point 232 (70/288) =======================q-point: (-0.07 0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( -12.630 -7.292 22.002) 26.396 0.792 ( -18.269 -10.548 25.572) 33.150 1.378 ( -32.212 -18.598 41.256) 55.548 3.496 ( 15.813 9.130 3.171) 18.532 3.935 ( -6.953 -4.015 -3.133) 8.619 4.020 ( -10.482 -6.052 0.436) 12.112 5.124 ( 0.375 0.217 2.744) 2.778 5.129 ( -0.415 -0.239 3.017) 3.055 5.612 ( 23.611 13.632 28.427) 39.388 5.695 ( 5.202 3.004 -4.406) 7.450 5.877 ( -2.576 -1.487 3.873) 4.883 6.120 ( -2.931 -1.692 -2.015) 3.939 7.074 ( -0.320 -0.184 0.028) 0.370 7.518 ( 3.064 1.769 -8.427) 9.139 7.743 ( -2.331 -1.346 0.620) 2.762 7.760 ( -3.551 -2.050 -2.016) 4.570 8.229 ( -25.610 -14.786 -23.887) 38.014 8.350 ( 3.936 2.272 -4.937) 6.710 8.552 ( -0.411 -0.237 -0.964) 1.074 8.562 ( -0.892 -0.515 -1.090) 1.499 9.190 ( -16.614 -9.592 -20.446) 28.037 22.583 ( 0.885 0.511 0.836) 1.320 22.602 ( -1.135 -0.655 0.802) 1.536 22.913 ( 13.370 7.719 13.469) 20.488 31.347 ( -0.537 -0.310 -0.262) 0.674 31.649 ( 0.365 0.211 -1.352) 1.416 31.655 ( -0.229 -0.132 -0.823) 0.864 40.544 ( 0.755 0.436 -0.780) 1.170 40.566 ( -0.981 -0.566 -1.197) 1.648 40.791 ( 5.728 3.307 4.127) 7.797 41.336 ( 7.029 4.058 8.520) 11.767 41.594 ( 0.410 0.237 -0.270) 0.545 41.728 ( -2.274 -1.313 -2.513) 3.635 47.133 ( 2.569 1.483 3.736) 4.770 47.306 ( -1.205 -0.696 0.558) 1.499 48.708 ( -60.473 -34.914 -67.302) 96.982 87.558 ( 0.279 0.161 0.438) 0.543 87.561 ( 0.019 0.011 0.188) 0.190 87.575 ( 1.110 0.641 1.403) 1.900======================= Grid point 235 (71/288) =======================q-point: ( 0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( 0.000 -6.377 18.137) 19.225 2.463 ( -0.000 8.596 18.841) 20.709 3.823 ( 0.000 -5.580 2.250) 6.017 3.886 ( -0.000 3.524 3.128) 4.712 4.218 ( 0.000 -0.845 2.882) 3.003 4.336 ( 0.000 1.873 25.319) 25.389 4.994 ( 0.000 -7.280 0.152) 7.281 5.106 ( -0.000 8.234 0.840) 8.277 5.738 ( 0.000 -3.395 -2.758) 4.374 5.904 ( -0.000 0.913 0.695) 1.147 5.905 ( -0.000 4.804 0.461) 4.826 6.752 ( 0.000 -15.560 -1.296) 15.614 7.077 ( -0.000 0.190 -0.051) 0.197 7.097 ( -0.000 7.379 -2.358) 7.747 7.461 ( -0.000 -0.891 -15.299) 15.325 7.600 ( -0.000 1.866 -2.973) 3.510 7.612 ( -0.000 2.577 -3.658) 4.475 7.736 ( -0.000 2.935 -2.723) 4.004 8.534 ( 0.000 -1.263 1.710) 2.126 8.560 ( -0.000 1.469 1.904) 2.405 9.417 ( 0.000 -1.802 9.875) 10.038 22.740 ( 0.000 -0.425 2.641) 2.675 22.746 ( 0.000 0.619 2.512) 2.587 22.986 ( -0.000 -0.718 -2.828) 2.918 31.322 ( -0.000 0.193 0.201) 0.279 31.509 ( 0.000 -0.973 -1.933) 2.164 31.523 ( -0.000 0.859 -1.792) 1.987 40.489 ( 0.000 -1.982 -0.391) 2.020 40.515 ( -0.000 1.083 -0.224) 1.106 40.660 ( -0.000 0.009 -4.122) 4.122 41.501 ( 0.000 -2.181 0.082) 2.183 41.528 ( -0.000 -0.372 -1.435) 1.482 41.547 ( -0.000 2.746 -1.104) 2.959 47.080 ( 0.000 -2.497 -3.850) 4.589 47.158 ( -0.000 5.884 -3.521) 6.857 47.821 ( 0.000 -0.294 8.725) 8.730 87.582 ( 0.000 -0.237 0.320) 0.398 87.586 ( -0.000 0.245 0.365) 0.440 87.640 ( 0.000 -0.189 0.480) 0.516======================= Grid point 236 (72/288) =======================q-point: ( 0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.563 ( -3.051 -5.940 10.204) 12.195 2.776 ( 4.188 7.438 11.137) 14.032 3.871 ( -0.855 -5.608 6.061) 8.302 3.983 ( -0.811 3.406 6.289) 7.198 4.197 ( -0.361 -1.168 -4.610) 4.769 4.666 ( -0.076 0.299 11.108) 11.112 5.009 ( 0.972 -8.915 4.918) 10.228 5.190 ( 0.707 7.472 4.344) 8.672 5.709 ( -0.062 -2.177 0.929) 2.368 5.874 ( -6.709 1.461 -0.325) 6.873 5.970 ( 7.409 4.625 0.373) 8.742 6.643 ( -1.703 -13.942 -2.216) 14.220 6.982 ( -11.369 1.863 -3.403) 12.013 7.127 ( 7.404 2.079 -3.232) 8.342 7.208 ( -0.645 -0.688 -12.114) 12.150 7.541 ( -0.948 -0.589 -2.351) 2.602 7.589 ( 3.309 5.766 -2.161) 6.991 7.727 ( 4.885 6.460 -2.666) 8.527 8.551 ( -1.668 -1.317 1.439) 2.567 8.605 ( 1.138 1.174 1.737) 2.386 9.567 ( -1.366 -3.303 8.301) 9.037 22.782 ( 0.049 -0.306 2.093) 2.116 22.787 ( 0.009 0.492 1.829) 1.894 22.931 ( -0.272 -0.484 -2.900) 2.953 31.332 ( 0.136 0.195 0.813) 0.847 31.474 ( -0.419 -1.012 -1.406) 1.783 31.501 ( 0.320 0.864 -1.164) 1.485 40.471 ( -1.460 -1.984 -0.074) 2.464 40.519 ( 1.495 -0.575 -0.124) 1.606 40.598 ( -0.389 1.555 -2.725) 3.161 41.487 ( -1.562 -1.072 -0.446) 1.946 41.507 ( 1.100 -0.761 -1.095) 1.729 41.547 ( 0.502 2.147 -0.100) 2.207 46.985 ( -4.209 -1.306 -3.717) 5.765 47.139 ( 6.166 5.559 -4.138) 9.276 48.001 ( -0.695 -2.185 12.161) 12.376 87.585 ( -0.165 -0.221 0.166) 0.322 87.593 ( 0.198 0.238 0.206) 0.372 87.645 ( -0.124 -0.233 0.127) 0.293======================= Grid point 237 (73/288) =======================q-point: ( 0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -4.626 -4.885 4.484) 8.085 2.974 ( 5.598 6.012 4.716) 9.473 3.955 ( -1.110 -7.298 0.740) 7.419 4.017 ( -5.766 0.665 -0.396) 5.818 4.150 ( 2.197 1.156 3.507) 4.297 4.734 ( -0.847 -0.523 -2.310) 2.515 5.106 ( 2.208 -9.889 8.471) 13.207 5.315 ( -0.651 5.174 6.897) 8.647 5.740 ( 1.199 -3.391 2.149) 4.190 5.828 ( -7.992 3.971 0.643) 8.947 6.043 ( 6.164 3.959 -0.260) 7.330 6.570 ( 2.012 -11.732 -0.141) 11.904 6.862 ( -9.798 3.036 -1.949) 10.441 7.023 ( -0.932 -0.992 -7.092) 7.222 7.074 ( -1.982 0.536 -5.668) 6.029 7.530 ( 5.259 -3.205 0.045) 6.159 7.613 ( 4.548 7.211 -1.100) 8.596 7.752 ( 6.723 10.591 -2.545) 12.800 8.548 ( -1.818 -1.665 0.140) 2.469 8.639 ( 0.301 0.803 0.988) 1.308 9.658 ( -3.076 -4.561 5.355) 7.677 22.804 ( -0.383 -0.167 0.477) 0.634 22.816 ( 0.227 -0.036 0.937) 0.964 22.880 ( 0.067 0.137 -2.455) 2.460 31.354 ( 0.091 0.100 1.462) 1.469 31.447 ( -0.550 -0.950 -0.731) 1.319 31.493 ( 0.458 0.831 -0.418) 1.037 40.454 ( -1.849 -1.789 0.309) 2.591 40.523 ( 2.350 -2.720 -0.096) 3.596 40.576 ( -0.916 3.469 -0.534) 3.627 41.461 ( -0.948 -0.557 -1.053) 1.523 41.495 ( 0.826 -0.128 -0.836) 1.182 41.565 ( 0.283 1.153 1.056) 1.589 46.896 ( -3.720 -0.376 -2.625) 4.568 47.126 ( 7.437 5.281 -4.967) 10.386 48.217 ( -3.304 -4.358 15.096) 16.056 87.584 ( -0.197 -0.174 -0.030) 0.265 87.597 ( 0.296 0.218 -0.036) 0.369 87.641 ( -0.179 -0.242 -0.255) 0.395======================= Grid point 238 (74/288) =======================q-point: (-0.64 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( -5.560 -4.213 2.616) 7.450 3.065 ( 3.832 3.508 -0.717) 5.244 3.732 ( 0.430 -1.399 -15.467) 15.536 4.100 ( -6.885 -5.040 8.057) 11.736 4.221 ( -1.449 -1.178 3.002) 3.535 4.604 ( 0.820 0.003 -10.842) 10.873 5.239 ( 0.591 -10.730 9.417) 14.289 5.457 ( -2.397 2.438 7.988) 8.689 5.725 ( -3.721 -2.364 -0.666) 4.458 5.858 ( -1.241 5.146 2.275) 5.762 6.045 ( 2.154 0.590 -2.743) 3.537 6.567 ( 2.180 -5.213 0.712) 5.695 6.817 ( -3.415 -2.474 -0.233) 4.224 6.936 ( -5.020 3.119 -5.866) 8.327 6.963 ( 0.878 1.107 1.672) 2.189 7.566 ( 5.676 -5.037 1.364) 7.710 7.661 ( 2.820 6.355 0.395) 6.964 7.819 ( 9.771 13.225 -1.117) 16.481 8.520 ( -1.811 -2.016 -1.074) 2.915 8.653 ( -0.770 0.398 0.693) 1.110 9.678 ( -4.644 -5.560 2.050) 7.529 22.790 ( 0.043 -1.291 -1.695) 2.131 22.808 ( -1.047 0.713 -1.423) 1.905 22.862 ( 1.185 0.733 -0.405) 1.452 31.382 ( -0.522 -0.274 1.627) 1.730 31.437 ( -0.100 -0.661 0.373) 0.766 31.499 ( 0.530 0.845 0.307) 1.044 40.448 ( -1.517 -1.520 1.093) 2.410 40.532 ( 2.307 -3.155 0.652) 3.962 40.584 ( -1.143 3.591 0.477) 3.799 41.434 ( -0.388 -0.299 -1.243) 1.336 41.487 ( 0.844 0.542 -0.719) 1.234 41.596 ( 0.009 0.530 1.879) 1.952 46.846 ( -2.120 0.898 -0.829) 2.447 47.102 ( 7.274 4.870 -5.682) 10.436 48.451 ( -6.982 -6.943 17.587) 20.156 87.580 ( -0.164 -0.110 -0.214) 0.291 87.597 ( 0.354 0.200 -0.311) 0.512 87.632 ( -0.164 -0.212 -0.580) 0.639======================= Grid point 239 (75/288) =======================q-point: (-0.57 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( -7.342 -4.700 2.291) 9.014 2.994 ( -2.940 -1.512 -8.893) 9.488 3.470 ( 5.518 1.574 -15.776) 16.787 4.070 ( -7.902 -4.123 -6.595) 11.087 4.227 ( -2.523 -2.708 0.679) 3.763 4.453 ( 0.728 -0.095 -3.698) 3.770 5.342 ( -3.475 -10.816 7.530) 13.629 5.548 ( -3.717 -1.361 3.122) 5.041 5.681 ( -3.384 -0.038 -1.044) 3.542 5.836 ( -3.965 2.516 -3.418) 5.809 6.086 ( 5.994 2.626 4.112) 7.729 6.513 ( -2.506 -0.370 -7.260) 7.689 6.735 ( 2.063 -6.738 -3.511) 7.873 6.876 ( -4.516 5.178 0.473) 6.887 7.127 ( 7.702 2.584 10.217) 13.053 7.619 ( 3.433 -4.691 3.515) 6.793 7.715 ( -0.571 5.470 2.627) 6.095 7.946 ( 11.042 11.000 1.783) 15.687 8.478 ( -1.829 -2.002 -1.053) 2.909 8.658 ( -1.825 -0.156 0.829) 2.011 9.628 ( -5.666 -6.277 -0.916) 8.506 22.743 ( 0.519 -1.772 -2.818) 3.369 22.770 ( -1.556 1.447 -2.357) 3.174 22.867 ( 1.671 0.772 -0.702) 1.970 31.394 ( -1.488 -0.852 0.816) 1.899 31.461 ( 0.727 -0.216 2.150) 2.280 31.517 ( 0.561 0.930 0.916) 1.421 40.459 ( -1.079 -1.270 1.738) 2.408 40.548 ( 1.721 -2.676 0.656) 3.249 40.605 ( -0.859 2.832 1.438) 3.290 41.409 ( 0.050 -0.005 -1.372) 1.373 41.486 ( 1.068 1.001 -0.473) 1.538 41.635 ( -0.162 0.202 2.388) 2.402 46.848 ( -0.327 2.406 1.234) 2.724 47.063 ( 6.567 4.428 -5.897) 9.875 48.689 ( -11.306 -9.756 19.874) 24.859 87.574 ( -0.090 -0.033 -0.338) 0.351 87.593 ( 0.383 0.185 -0.545) 0.691 87.618 ( -0.098 -0.153 -0.797) 0.817======================= Grid point 240 (76/288) =======================q-point: (-0.50 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( -10.979 -7.833 0.378) 13.492 2.710 ( -10.067 -4.516 -15.459) 18.993 3.255 ( 8.713 2.616 -15.230) 17.740 3.746 ( -2.713 -0.334 -22.257) 22.424 4.231 ( -0.880 -3.239 2.415) 4.136 4.449 ( -7.754 -1.834 3.867) 8.857 5.362 ( -3.383 -6.659 0.814) 7.513 5.494 ( -3.843 -2.015 -4.914) 6.555 5.619 ( -3.716 -4.981 -1.583) 6.413 5.793 ( -4.782 3.717 0.523) 6.079 6.231 ( 4.354 1.881 5.006) 6.897 6.301 ( -2.455 0.294 -12.037) 12.288 6.701 ( 8.288 -0.018 -3.246) 8.901 6.895 ( -3.292 1.622 2.590) 4.492 7.383 ( 10.301 3.094 9.274) 14.202 7.705 ( 0.054 -2.964 6.570) 7.208 7.809 ( -2.379 2.699 7.716) 8.514 8.103 ( 9.207 6.901 3.946) 12.164 8.453 ( -1.717 -1.277 0.608) 2.224 8.655 ( -3.083 -0.918 0.913) 3.344 9.529 ( -5.651 -6.535 -2.797) 9.081 22.687 ( 0.734 -1.985 -3.142) 3.789 22.719 ( -1.549 1.928 -2.812) 3.745 22.863 ( 2.182 0.947 -1.670) 2.906 31.392 ( -1.678 -0.921 0.683) 2.032 31.510 ( 0.882 -0.361 2.724) 2.886 31.545 ( 0.512 1.131 1.363) 1.844 40.481 ( -0.723 -1.077 1.848) 2.258 40.553 ( 0.619 -1.322 -0.021) 1.460 40.646 ( 0.165 1.371 2.288) 2.673 41.385 ( 0.344 0.278 -1.631) 1.690 41.494 ( 1.359 1.263 -0.065) 1.856 41.678 ( -0.247 0.027 2.509) 2.521 46.901 ( 1.384 3.439 2.833) 4.665 47.021 ( 5.480 4.436 -5.136) 8.723 48.927 ( -15.750 -12.413 22.279) 29.975 87.567 ( 0.001 0.036 -0.379) 0.380 87.585 ( 0.397 0.180 -0.681) 0.808 87.602 ( -0.027 -0.094 -0.899) 0.904======================= Grid point 241 (77/288) =======================q-point: (-0.43 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( -14.019 -10.287 -18.559) 25.431 2.440 ( -18.058 -7.757 -4.883) 20.251 3.074 ( 11.402 3.205 -13.748) 18.146 3.299 ( -2.727 0.752 -25.149) 25.308 4.260 ( -1.019 -2.760 2.456) 3.832 4.433 ( -13.671 -3.451 3.415) 14.507 5.265 ( 5.062 -1.226 -10.203) 11.455 5.347 ( -3.106 2.188 -8.154) 8.996 5.572 ( -9.345 -10.190 4.971) 14.693 5.791 ( -1.588 2.485 -0.099) 2.951 6.025 ( -2.091 -1.478 -14.664) 14.886 6.358 ( -1.558 2.326 4.404) 5.218 6.744 ( 14.364 4.493 -1.121) 15.092 6.928 ( -1.587 0.113 2.657) 3.097 7.583 ( 8.400 3.298 4.370) 10.026 7.836 ( 0.380 -2.513 9.304) 9.645 7.959 ( -4.758 0.267 10.048) 11.120 8.255 ( 6.192 2.952 5.087) 8.540 8.472 ( -1.441 -0.114 3.015) 3.343 8.644 ( -4.299 -1.577 1.273) 4.752 9.421 ( -4.055 -6.072 -2.125) 7.604 22.629 ( 0.788 -1.464 -3.148) 3.560 22.669 ( -1.169 1.780 -2.468) 3.260 22.843 ( 2.693 1.134 -2.986) 4.178 31.389 ( -1.694 -0.850 0.652) 2.004 31.562 ( 1.157 -0.688 2.396) 2.749 31.580 ( 0.215 1.401 1.749) 2.251 40.504 ( -0.409 -0.965 1.576) 1.892 40.549 ( 0.089 -0.288 -0.314) 0.435 40.693 ( 0.874 0.519 2.044) 2.283 41.356 ( 0.435 0.457 -2.113) 2.206 41.511 ( 1.567 1.321 0.352) 2.079 41.718 ( -0.304 -0.101 2.134) 2.158 46.963 ( 6.125 0.996 -1.718) 6.439 47.019 ( 0.710 7.480 1.855) 7.739 49.174 ( -19.370 -14.255 25.156) 34.803 87.561 ( 0.089 0.075 -0.341) 0.360 87.576 ( 0.454 0.224 -0.784) 0.933 87.586 ( -0.049 -0.091 -0.827) 0.833======================= Grid point 242 (78/288) =======================q-point: (-0.36 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( -18.382 -11.219 -18.674) 28.504 2.091 ( -20.896 -9.854 -16.054) 28.133 2.839 ( -11.976 -4.488 -18.264) 22.297 2.977 ( 12.740 6.076 -9.900) 17.241 4.270 ( -3.031 -3.361 1.410) 4.740 4.362 ( -15.306 -3.992 1.727) 15.912 5.104 ( 10.182 0.382 -12.343) 16.005 5.202 ( -1.230 5.323 -7.763) 9.493 5.554 ( -6.349 -6.521 -1.113) 9.169 5.736 ( 0.089 -6.945 -4.812) 8.450 5.823 ( -3.690 5.366 -2.598) 7.011 6.382 ( -6.519 -0.772 1.301) 6.692 6.886 ( 17.466 7.502 1.747) 19.089 6.974 ( -0.085 0.020 3.199) 3.200 7.689 ( 2.904 1.355 2.762) 4.230 7.999 ( 4.241 -1.660 7.166) 8.490 8.060 ( -6.506 -0.598 5.313) 8.421 8.389 ( 2.803 0.516 5.576) 6.263 8.530 ( -1.344 0.299 4.120) 4.344 8.634 ( -4.727 -1.659 1.676) 5.283 9.386 ( -0.968 -4.756 3.422) 5.939 22.580 ( 1.018 -0.547 -2.505) 2.759 22.630 ( -0.860 1.334 -1.818) 2.414 22.799 ( 2.792 1.043 -4.585) 5.469 31.385 ( -1.627 -0.735 0.513) 1.857 31.602 ( 1.415 -0.321 1.462) 2.060 31.619 ( -0.105 0.943 1.943) 2.162 40.524 ( 0.136 -1.016 1.158) 1.547 40.544 ( -0.134 0.688 -0.119) 0.711 40.727 ( 1.133 0.044 0.776) 1.374 41.318 ( 0.189 0.426 -2.682) 2.722 41.536 ( 1.586 1.174 0.565) 2.053 41.746 ( -0.338 -0.207 1.335) 1.393 46.962 ( 6.211 1.009 -2.452) 6.754 47.118 ( -0.194 7.071 4.682) 8.483 49.457 ( -20.180 -14.048 28.469) 37.617 87.557 ( 0.188 0.041 -0.280) 0.340 87.564 ( 0.456 0.300 -1.034) 1.169 87.573 ( -0.128 -0.117 -0.418) 0.453======================= Grid point 243 (79/288) =======================q-point: (-0.29 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( -21.165 -13.027 -14.759) 28.905 1.554 ( -23.606 -7.448 -21.278) 32.642 2.422 ( -30.944 -11.359 -8.703) 34.093 2.975 ( 16.784 6.702 -4.820) 18.704 4.239 ( -7.868 -5.891 1.004) 9.880 4.276 ( -10.937 -1.739 0.467) 11.085 4.990 ( 11.892 0.661 -9.083) 14.978 5.107 ( -0.069 6.908 -5.041) 8.552 5.363 ( -2.984 -4.042 -9.183) 10.467 5.740 ( 0.105 -5.438 3.573) 6.508 5.800 ( -3.508 3.503 0.468) 4.980 6.330 ( -8.441 -2.407 -0.177) 8.779 7.026 ( 2.519 -0.030 2.207) 3.350 7.086 ( 15.994 8.298 3.245) 18.308 7.745 ( -0.632 0.132 2.596) 2.675 8.025 ( -7.239 -4.019 -0.229) 8.283 8.153 ( 6.768 2.319 3.639) 8.026 8.482 ( 0.377 -0.065 3.409) 3.430 8.585 ( -1.293 -0.514 2.606) 2.954 8.623 ( -3.216 -0.648 0.804) 3.378 9.505 ( 3.520 -1.998 9.679) 10.491 22.552 ( 1.285 0.274 -1.362) 1.893 22.604 ( -0.722 1.049 -0.986) 1.611 22.726 ( 1.388 0.022 -5.323) 5.501 31.379 ( -1.485 -0.598 0.272) 1.624 31.631 ( 1.357 0.178 0.684) 1.530 31.650 ( -0.146 0.331 1.294) 1.344 40.535 ( 0.887 -0.374 -0.041) 0.963 40.555 ( -0.264 0.859 1.271) 1.557 40.729 ( 0.628 -0.418 -1.301) 1.504 41.270 ( -0.662 0.018 -2.456) 2.544 41.560 ( 1.421 0.869 0.491) 1.737 41.759 ( -0.293 -0.227 0.488) 0.613 46.978 ( 5.466 0.124 -0.392) 5.481 47.221 ( -0.901 5.890 4.148) 7.260 49.801 ( -13.668 -9.489 27.319) 31.987 87.548 ( 0.345 0.055 -0.966) 1.027 87.556 ( 0.102 0.164 -0.126) 0.231 87.567 ( -0.096 -0.075 -0.184) 0.221======================= Grid point 244 (80/288) =======================q-point: (-0.21 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( -21.919 -14.642 -2.598) 26.487 1.091 ( -31.018 -1.482 -3.999) 31.309 2.046 ( -42.938 -16.486 2.147) 46.044 3.077 ( 18.387 6.722 -0.197) 19.579 4.160 ( -10.239 -5.139 -0.272) 11.460 4.217 ( -7.893 -1.808 0.242) 8.101 4.966 ( 9.188 0.189 -0.406) 9.199 5.082 ( -0.183 6.125 -0.318) 6.136 5.253 ( -2.546 -4.070 1.462) 5.018 5.707 ( 3.496 3.980 -6.691) 8.534 5.860 ( -3.824 -4.479 6.997) 9.146 6.258 ( -7.897 -2.071 -0.577) 8.184 7.065 ( 0.685 -0.610 1.116) 1.445 7.273 ( 17.188 6.744 1.113) 18.497 7.774 ( -2.310 -0.622 1.843) 3.020 7.931 ( -7.161 -2.674 -2.751) 8.124 8.248 ( 7.893 2.428 0.198) 8.261 8.511 ( 0.141 0.353 -0.423) 0.568 8.595 ( -0.803 -1.456 -0.011) 1.663 8.615 ( -2.361 0.594 -0.201) 2.443 9.648 ( 8.878 2.829 -4.277) 10.252 22.550 ( 1.379 0.839 -0.273) 1.637 22.609 ( -0.352 0.837 2.672) 2.822 22.652 ( -1.506 -1.839 -1.451) 2.785 31.370 ( -1.283 -0.446 -0.017) 1.358 31.645 ( 1.239 0.422 -0.248) 1.332 31.664 ( -0.174 -0.053 0.288) 0.341 40.536 ( 0.975 0.414 -0.520) 1.180 40.586 ( 0.671 0.481 1.161) 1.425 40.694 ( -0.962 -0.653 -1.072) 1.582 41.238 ( -1.525 -0.627 0.570) 1.744 41.577 ( 1.159 0.486 0.198) 1.272 41.760 ( -0.210 -0.114 -0.124) 0.269 47.023 ( 4.556 -1.306 1.907) 5.109 47.292 ( -1.392 3.043 2.666) 4.279 50.011 ( -1.719 -1.159 -4.605) 5.050 87.538 ( 0.043 0.008 -0.045) 0.063 87.557 ( 0.106 0.067 0.056) 0.138 87.564 ( -0.091 -0.055 -0.005) 0.107======================= Grid point 245 (81/288) =======================q-point: (-0.14 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -20.607 -2.049 15.625) 25.942 1.076 ( -23.865 -1.371 22.205) 32.626 1.894 ( -40.573 -15.353 24.009) 49.581 3.258 ( 18.586 5.752 3.475) 19.764 4.050 ( -10.042 -3.405 -2.202) 10.830 4.155 ( -9.091 -2.422 0.136) 9.409 5.092 ( 4.564 -0.878 5.189) 6.966 5.141 ( -0.806 4.240 4.358) 6.134 5.403 ( 8.419 -0.542 17.410) 19.346 5.625 ( 4.802 4.522 -6.504) 9.263 5.919 ( -3.050 -5.124 4.223) 7.307 6.186 ( -6.837 -0.741 -1.440) 7.026 7.070 ( 0.635 -1.450 -0.426) 1.639 7.386 ( 14.509 3.184 -3.408) 15.240 7.760 ( -1.544 -4.498 -1.228) 4.911 7.841 ( -6.983 3.165 -1.211) 7.762 8.275 ( 6.976 1.286 -4.185) 8.236 8.434 ( -6.628 -1.065 -9.406) 11.556 8.561 ( -1.389 -0.993 -1.901) 2.556 8.579 ( -1.734 0.688 -1.795) 2.589 9.365 ( -7.056 1.773 -23.306) 24.415 22.567 ( 1.388 0.614 0.827) 1.728 22.621 ( -1.495 -1.103 0.678) 1.978 22.779 ( 6.349 1.437 11.265) 13.011 31.358 ( -1.037 -0.287 -0.283) 1.112 31.640 ( 0.911 0.429 -1.317) 1.658 31.658 ( -0.208 -0.260 -0.737) 0.808 40.532 ( 1.007 0.671 -0.929) 1.525 40.576 ( -0.419 -0.718 -1.424) 1.649 40.732 ( 2.754 1.410 3.398) 4.596 41.287 ( 1.282 -0.218 5.247) 5.405 41.585 ( 0.886 0.098 -0.208) 0.916 41.747 ( -0.823 -0.097 -1.139) 1.408 47.093 ( 3.831 -2.251 3.454) 5.628 47.316 ( -0.986 -2.085 0.677) 2.404 49.321 ( -30.536 -3.612 -54.741) 62.786 87.552 ( 0.501 0.207 1.023) 1.158 87.560 ( 0.070 -0.001 0.232) 0.242 87.567 ( 0.190 0.011 0.517) 0.551======================= Grid point 246 (82/288) =======================q-point: (-0.07 0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.130 ( -11.804 5.188 23.619) 26.910 1.338 ( -19.769 -5.000 24.156) 31.612 2.302 ( -19.020 -5.585 45.605) 49.727 3.484 ( 17.535 4.007 5.620) 18.844 3.942 ( -8.615 -2.164 -1.142) 8.956 4.088 ( -9.945 -1.767 0.885) 10.139 5.151 ( 0.296 1.001 -0.300) 1.086 5.199 ( -3.466 -0.278 2.387) 4.218 5.611 ( 7.921 2.443 -0.087) 8.289 5.834 ( 8.491 2.124 7.184) 11.323 6.004 ( 11.949 -3.475 14.703) 19.263 6.106 ( -6.691 1.046 -1.987) 7.057 7.054 ( 1.630 -2.814 -1.033) 3.412 7.349 ( 2.821 1.686 -7.935) 8.589 7.711 ( 0.875 -4.264 -1.115) 4.493 7.801 ( -6.755 3.555 -0.599) 7.656 8.086 ( -21.461 -2.366 -9.981) 23.787 8.197 ( 3.818 0.601 -9.847) 10.579 8.524 ( 0.680 -1.043 -1.737) 2.137 8.550 ( -0.820 1.254 -0.945) 1.771 9.093 ( -5.933 1.712 -2.425) 6.634 22.601 ( 1.068 0.565 1.730) 2.111 22.630 ( -1.186 -0.892 1.741) 2.288 22.989 ( 8.568 1.264 3.969) 9.527 31.344 ( -0.765 -0.128 -0.452) 0.898 31.617 ( 0.646 0.363 -1.978) 2.112 31.634 ( -0.286 -0.330 -1.566) 1.626 40.522 ( 1.033 0.636 -1.211) 1.714 40.553 ( -0.411 -0.403 -0.729) 0.930 40.794 ( 3.769 1.090 -0.238) 3.930 41.403 ( 5.503 0.504 3.816) 6.715 41.583 ( 0.638 -0.218 -0.640) 0.929 41.700 ( -3.119 -0.315 -2.506) 4.013 47.168 ( 2.763 -1.094 2.571) 3.929 47.289 ( 0.600 -8.341 -0.897) 8.411 48.227 ( -42.334 1.994 -28.976) 51.339 87.563 ( 0.104 -0.047 0.263) 0.286 87.566 ( -0.068 0.080 0.355) 0.370 87.591 ( 0.960 0.157 1.096) 1.465======================= Grid point 250 (83/288) =======================q-point: ( 0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.677 ( 0.000 -7.002 4.897) 8.544 2.930 ( -0.000 8.201 4.770) 9.487 3.963 ( 0.000 -7.739 0.357) 7.747 4.069 ( -0.000 0.028 -2.895) 2.896 4.124 ( 0.000 1.685 7.077) 7.275 4.740 ( -0.000 -0.172 -2.583) 2.589 5.089 ( 0.000 -12.235 9.275) 15.354 5.320 ( -0.000 5.504 7.105) 8.988 5.731 ( 0.000 -3.036 2.122) 3.704 5.942 ( -0.000 2.384 1.291) 2.711 5.943 ( -0.000 7.160 -0.164) 7.162 6.554 ( 0.000 -15.670 -0.571) 15.680 7.000 ( -0.000 -0.702 -5.209) 5.256 7.001 ( -0.000 3.811 -4.055) 5.565 7.052 ( -0.000 2.016 -5.836) 6.175 7.525 ( -0.000 1.696 -2.315) 2.870 7.535 ( -0.000 1.625 -0.768) 1.798 7.718 ( -0.000 12.219 -1.277) 12.285 8.563 ( 0.000 -2.287 0.004) 2.287 8.635 ( -0.000 1.681 1.206) 2.068 9.680 ( 0.000 -5.147 5.623) 7.623 22.808 ( 0.000 -0.163 0.295) 0.338 22.813 ( 0.000 -0.042 1.330) 1.331 22.880 ( -0.000 0.140 -2.761) 2.764 31.354 ( 0.000 0.104 1.556) 1.559 31.451 ( 0.000 -1.306 -0.743) 1.503 31.489 ( -0.000 1.178 -0.471) 1.268 40.473 ( 0.000 -2.559 0.543) 2.616 40.501 ( 0.000 -2.162 -0.323) 2.186 40.582 ( -0.000 3.461 -0.574) 3.508 41.470 ( 0.000 -0.698 -1.537) 1.688 41.486 ( 0.000 -0.185 -0.525) 0.557 41.564 ( -0.000 1.454 1.160) 1.860 46.933 ( -0.000 -0.548 -3.247) 3.293 47.064 ( -0.000 5.863 -4.390) 7.324 48.240 ( 0.000 -4.694 15.819) 16.501 87.586 ( 0.000 -0.248 -0.030) 0.250 87.595 ( -0.000 0.271 -0.047) 0.275 87.643 ( 0.000 -0.264 -0.274) 0.380======================= Grid point 251 (84/288) =======================q-point: (-0.71 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.708 ( -2.898 -5.888 3.180) 7.292 3.017 ( 2.455 6.145 0.728) 6.657 3.729 ( 0.101 -2.706 -17.014) 17.228 4.179 ( -4.391 -4.481 9.738) 11.584 4.227 ( 0.802 -2.601 4.693) 5.425 4.594 ( 0.486 0.086 -13.006) 13.015 5.229 ( 0.520 -12.916 11.327) 17.187 5.476 ( -0.596 3.030 8.626) 9.162 5.740 ( 0.411 -3.137 -0.482) 3.200 5.921 ( -6.498 5.421 0.477) 8.476 6.001 ( 4.482 3.387 -1.721) 5.876 6.537 ( 1.660 -10.367 3.875) 11.191 6.891 ( -6.399 -0.100 -3.506) 7.297 6.946 ( 1.339 -0.001 -2.360) 2.714 6.979 ( -0.112 2.299 -4.723) 5.254 7.516 ( 0.926 0.326 1.727) 1.987 7.577 ( 6.596 3.272 1.132) 7.449 7.759 ( 0.943 15.276 -0.514) 15.314 8.539 ( -0.828 -3.134 -1.014) 3.396 8.658 ( -0.078 1.749 0.736) 1.899 9.722 ( -1.706 -6.548 2.301) 7.147 22.789 ( 0.032 -1.403 -2.009) 2.450 22.823 ( -1.034 0.489 -0.384) 1.207 22.846 ( 1.054 1.043 -1.259) 1.945 31.387 ( -0.179 -0.104 2.166) 2.176 31.438 ( -0.089 -1.291 -0.060) 1.295 31.493 ( 0.236 1.300 0.244) 1.343 40.470 ( -1.551 -2.308 1.020) 2.962 40.503 ( 1.821 -2.712 0.804) 3.364 40.594 ( -0.401 3.491 0.401) 3.537 41.439 ( -0.276 -0.591 -1.483) 1.620 41.478 ( 0.439 0.784 -0.727) 1.156 41.596 ( 0.002 0.783 1.934) 2.087 46.880 ( -2.251 1.314 -1.681) 3.102 47.020 ( 4.082 5.134 -4.827) 8.144 48.516 ( -2.448 -7.360 18.679) 20.226 87.582 ( -0.117 -0.170 -0.224) 0.305 87.593 ( 0.190 0.227 -0.326) 0.440 87.633 ( -0.064 -0.260 -0.608) 0.665======================= Grid point 252 (85/288) =======================q-point: (-0.64 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.717 ( -5.219 -5.036 3.455) 8.033 3.012 ( -0.047 0.916 -4.814) 4.900 3.411 ( 2.980 -0.605 -18.249) 18.501 4.160 ( -4.630 -3.772 -10.275) 11.885 4.275 ( -4.809 -3.576 -0.402) 6.007 4.428 ( 3.199 -1.274 1.474) 3.746 5.373 ( -1.310 -12.111 9.837) 15.658 5.594 ( -3.529 -0.233 2.587) 4.382 5.701 ( 1.037 -0.924 -2.399) 2.772 5.893 ( -3.601 3.317 -1.679) 5.175 6.017 ( 3.401 3.050 1.853) 4.930 6.550 ( -2.488 -1.510 -3.639) 4.659 6.753 ( -4.362 -5.599 -5.019) 8.693 6.910 ( 0.678 2.182 -1.254) 2.607 7.029 ( 5.560 0.945 6.746) 8.793 7.587 ( 0.901 -1.374 5.619) 5.854 7.685 ( 5.035 2.565 4.684) 7.340 7.841 ( 3.692 16.029 1.546) 16.521 8.500 ( -1.266 -3.480 -0.820) 3.793 8.675 ( -0.703 1.471 0.797) 1.815 9.688 ( -3.071 -7.593 -1.053) 8.258 22.738 ( 0.276 -1.775 -2.951) 3.455 22.792 ( -1.768 1.345 -2.059) 3.029 22.843 ( 1.771 0.775 -1.046) 2.198 31.414 ( -1.465 -0.860 1.245) 2.106 31.449 ( 1.024 -0.702 1.780) 2.170 31.511 ( 0.333 1.430 0.893) 1.718 40.475 ( -1.222 -1.967 1.604) 2.817 40.524 ( 1.658 -2.770 1.253) 3.463 40.616 ( -0.591 2.932 1.030) 3.164 41.410 ( -0.109 -0.308 -1.470) 1.506 41.474 ( 0.701 1.432 -0.644) 1.719 41.636 ( -0.058 0.414 2.355) 2.392 46.863 ( -1.765 3.456 0.324) 3.894 46.983 ( 5.066 4.502 -4.917) 8.374 48.807 ( -5.929 -10.203 21.086) 24.163 87.576 ( -0.136 -0.055 -0.364) 0.392 87.588 ( 0.321 0.181 -0.567) 0.676 87.619 ( -0.081 -0.229 -0.811) 0.847======================= Grid point 253 (86/288) =======================q-point: (-0.57 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.709 ( -8.569 -6.724 2.164) 11.104 2.826 ( -6.966 -4.183 -11.532) 14.107 3.145 ( 7.385 0.817 -16.002) 17.643 3.778 ( -1.867 -0.074 -24.969) 25.039 4.254 ( -2.459 -4.249 2.294) 5.418 4.528 ( -3.828 -1.405 7.375) 8.427 5.399 ( -2.555 -4.045 -4.371) 6.480 5.537 ( -2.841 -4.397 -3.054) 6.060 5.644 ( 0.300 -4.891 -1.579) 5.149 5.881 ( -7.156 4.014 1.882) 8.418 6.155 ( 6.754 3.278 7.264) 10.447 6.339 ( -3.015 -1.434 -14.190) 14.578 6.651 ( -1.158 -0.593 -4.027) 4.232 6.928 ( -1.090 -1.095 2.314) 2.782 7.238 ( 10.572 2.110 8.425) 13.682 7.709 ( -0.641 -2.342 8.358) 8.703 7.827 ( -0.067 1.828 9.070) 9.253 7.990 ( 6.740 11.085 4.785) 13.827 8.476 ( -1.483 -2.762 0.778) 3.230 8.687 ( -1.660 0.887 0.923) 2.097 9.589 ( -3.291 -8.141 -3.953) 9.630 22.678 ( 0.505 -2.050 -3.159) 3.799 22.742 ( -1.919 1.886 -2.750) 3.848 22.834 ( 2.099 0.817 -1.913) 2.955 31.415 ( -1.698 -1.038 0.787) 2.140 31.495 ( 1.259 -0.692 2.492) 2.876 31.540 ( 0.250 1.606 1.502) 2.213 40.492 ( -0.811 -1.645 1.754) 2.538 40.542 ( 0.991 -1.999 0.649) 2.324 40.647 ( -0.263 1.699 1.774) 2.470 41.383 ( 0.037 0.012 -1.555) 1.555 41.477 ( 1.040 1.800 -0.304) 2.101 41.680 ( -0.062 0.231 2.403) 2.415 46.886 ( 0.920 3.858 0.185) 3.971 46.960 ( 3.387 5.721 -2.281) 7.029 49.100 ( -9.747 -12.758 23.048) 28.089 87.568 ( -0.079 0.044 -0.421) 0.431 87.579 ( 0.406 0.173 -0.718) 0.843 87.603 ( -0.087 -0.196 -0.858) 0.884======================= Grid point 254 (87/288) =======================q-point: (-0.50 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.448 ( -12.053 -10.621 -15.532) 22.346 2.664 ( -14.733 -5.892 -1.717) 15.960 2.931 ( 9.561 0.491 -14.853) 17.671 3.321 ( -0.523 1.750 -24.099) 24.169 4.277 ( -1.522 -2.338 2.851) 3.989 4.594 ( -9.603 -1.459 5.319) 11.074 5.203 ( 3.595 -0.716 -14.769) 15.217 5.390 ( -3.200 2.729 -9.254) 10.165 5.658 ( -2.660 -11.808 5.341) 13.230 5.848 ( -6.514 1.280 -2.784) 7.199 6.064 ( -3.405 -2.141 -11.373) 12.063 6.351 ( 3.399 5.240 7.413) 9.693 6.597 ( 5.652 2.587 -3.306) 7.040 6.952 ( -1.677 -2.198 2.164) 3.511 7.452 ( 10.478 3.572 6.107) 12.643 7.841 ( -0.825 -4.557 8.460) 9.645 8.013 ( -3.187 1.810 11.112) 11.701 8.171 ( 5.771 4.524 7.218) 10.289 8.492 ( -1.418 -1.153 3.072) 3.575 8.692 ( -2.788 0.279 1.108) 3.013 9.456 ( -1.265 -7.766 -5.223) 9.444 22.619 ( 0.646 -1.936 -3.079) 3.694 22.689 ( -1.734 2.177 -2.623) 3.824 22.809 ( 2.263 0.786 -2.875) 3.743 31.413 ( -1.796 -0.919 0.721) 2.142 31.543 ( 1.533 -0.654 2.002) 2.605 31.579 ( 0.019 1.482 2.055) 2.533 40.510 ( -0.521 -1.443 1.451) 2.111 40.546 ( 0.361 -0.712 0.001) 0.798 40.685 ( 0.303 0.379 1.899) 1.960 41.354 ( -0.029 0.224 -1.772) 1.786 41.491 ( 1.374 1.863 0.152) 2.320 41.720 ( -0.038 0.095 2.004) 2.006 46.885 ( 5.136 1.502 -3.127) 6.198 47.019 ( -0.402 9.184 3.705) 9.911 49.391 ( -12.695 -14.201 24.275) 30.856 87.560 ( 0.041 0.078 -0.414) 0.423 87.569 ( 0.424 0.226 -0.791) 0.925 87.587 ( -0.119 -0.188 -0.726) 0.759======================= Grid point 255 (88/288) =======================q-point: (-0.43 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( -16.276 -13.028 -16.306) 26.467 2.363 ( -19.168 -6.695 -16.302) 26.038 2.777 ( 12.070 1.362 -10.599) 16.120 2.998 ( -6.950 0.852 -10.329) 12.479 4.303 ( -1.978 -1.444 1.988) 3.154 4.565 ( -13.822 -2.039 1.149) 14.018 4.977 ( 8.300 -0.310 -13.797) 16.104 5.225 ( -1.857 5.912 -8.870) 10.820 5.615 ( -2.771 -6.909 -8.512) 11.308 5.728 ( 0.783 -4.359 -1.661) 4.730 5.926 ( -10.404 -1.791 1.013) 10.606 6.462 ( -4.813 3.771 3.038) 6.828 6.661 ( 14.551 5.221 1.010) 15.493 6.978 ( -0.328 -1.686 2.732) 3.227 7.619 ( 7.310 3.325 4.414) 9.163 7.957 ( 1.581 -4.785 6.332) 8.093 8.143 ( -5.060 0.385 5.477) 7.466 8.349 ( 2.266 0.790 7.956) 8.310 8.549 ( -1.309 -0.148 4.187) 4.390 8.692 ( -3.752 -0.032 1.095) 3.909 9.363 ( 3.855 -5.821 -1.994) 7.261 22.567 ( 0.838 -1.160 -2.517) 2.896 22.646 ( -1.420 1.985 -1.936) 3.116 22.768 ( 1.924 0.411 -3.633) 4.132 31.409 ( -1.834 -0.759 0.553) 2.061 31.581 ( 1.680 -0.230 1.315) 2.146 31.620 ( -0.109 0.929 2.010) 2.217 40.522 ( 0.053 -1.271 0.598) 1.406 40.547 ( -0.146 0.456 0.269) 0.549 40.716 ( 0.582 -0.444 1.101) 1.322 41.320 ( -0.443 0.199 -1.948) 2.008 41.514 ( 1.571 1.621 0.470) 2.305 41.749 ( -0.064 -0.059 1.228) 1.231 46.877 ( 6.028 0.312 -2.196) 6.423 47.132 ( -1.463 10.103 5.083) 11.404 49.678 ( -12.796 -13.327 23.817) 30.143 87.554 ( 0.287 -0.013 -0.542) 0.613 87.559 ( 0.200 0.325 -0.636) 0.742 87.575 ( -0.131 -0.171 -0.429) 0.481======================= Grid point 256 (89/288) =======================q-point: (-0.36 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( -18.589 -15.099 -14.311) 27.898 1.878 ( -23.853 -3.690 -16.578) 29.282 2.717 ( 3.399 -1.313 -4.478) 5.773 2.812 ( -8.787 0.545 -4.105) 9.714 4.305 ( -3.498 -1.496 1.052) 3.947 4.456 ( -12.853 -2.713 -1.165) 13.187 4.845 ( 8.599 -0.267 -7.431) 11.368 5.111 ( -0.463 7.802 -5.767) 9.713 5.391 ( -1.264 -5.538 -9.152) 10.772 5.715 ( 2.207 0.317 -2.188) 3.124 5.903 ( -10.206 -5.298 5.479) 12.738 6.449 ( -8.720 0.342 0.518) 8.742 6.824 ( 17.543 5.703 1.785) 18.533 7.032 ( 0.874 0.432 3.195) 3.340 7.733 ( 2.913 1.753 3.520) 4.894 8.047 ( 4.260 -2.662 2.820) 5.761 8.144 ( -6.089 -1.266 0.040) 6.220 8.472 ( 0.534 0.246 4.619) 4.656 8.602 ( -1.286 -0.377 2.405) 2.753 8.668 ( -3.315 0.049 -0.888) 3.432 9.413 ( 9.624 -2.046 3.238) 10.359 22.536 ( 1.172 -0.145 -1.431) 1.855 22.618 ( -1.258 1.705 -0.976) 2.333 22.714 ( 0.621 -0.690 -3.213) 3.344 31.401 ( -1.787 -0.590 0.282) 1.903 31.610 ( 1.695 0.141 0.612) 1.807 31.652 ( -0.161 0.400 1.310) 1.379 40.524 ( 0.680 -0.366 -0.206) 0.799 40.559 ( -0.201 0.704 0.901) 1.161 40.724 ( 0.202 -0.900 -0.272) 0.961 41.283 ( -1.212 -0.142 -1.462) 1.904 41.539 ( 1.572 1.151 0.496) 2.011 41.762 ( -0.149 -0.177 0.431) 0.489 46.895 ( 6.384 -1.102 -0.226) 6.482 47.245 ( -2.360 8.949 4.589) 10.330 49.942 ( -7.891 -8.899 17.624) 21.261 87.544 ( 0.249 -0.010 -0.686) 0.730 87.555 ( 0.083 0.215 -0.160) 0.281 87.568 ( -0.109 -0.119 -0.180) 0.242======================= Grid point 257 (90/288) =======================q-point: (-0.29 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -20.326 -13.303 -2.763) 24.449 1.507 ( -29.937 0.087 -2.541) 30.045 2.548 ( -29.917 -8.799 1.683) 31.229 2.837 ( 16.185 5.042 -0.380) 16.956 4.280 ( -5.924 -2.767 0.340) 6.547 4.350 ( -12.538 -2.609 0.112) 12.807 4.836 ( 9.315 -0.344 0.496) 9.334 5.084 ( -0.101 8.218 -0.408) 8.229 5.277 ( -1.125 -5.561 0.070) 5.674 5.664 ( 2.694 5.900 -6.783) 9.385 5.930 ( -6.605 -8.146 6.434) 12.304 6.383 ( -10.356 -0.759 -0.186) 10.385 6.982 ( 15.843 1.537 0.946) 15.945 7.094 ( 4.333 3.264 0.918) 5.502 7.797 ( -0.427 -0.054 2.080) 2.124 8.024 ( -5.793 -2.084 -3.012) 6.854 8.144 ( 6.285 1.316 -0.210) 6.425 8.511 ( -0.241 0.703 -0.928) 1.189 8.606 ( -0.937 -1.135 0.203) 1.485 8.645 ( -2.109 0.758 -0.082) 2.243 9.506 ( 12.017 2.478 -4.076) 12.929 22.530 ( 1.484 0.630 -0.358) 1.652 22.618 ( -0.851 1.482 1.546) 2.304 22.670 ( -1.156 -2.237 -0.353) 2.543 31.390 ( -1.656 -0.420 -0.033) 1.709 31.626 ( 1.607 0.391 -0.247) 1.672 31.666 ( -0.192 -0.034 0.308) 0.365 40.523 ( 0.932 0.439 -0.587) 1.185 40.578 ( 0.533 0.526 0.617) 0.971 40.706 ( -0.800 -0.803 -0.612) 1.288 41.261 ( -1.733 -0.682 0.571) 1.948 41.560 ( 1.423 0.588 0.258) 1.561 41.763 ( -0.234 -0.156 -0.056) 0.287 46.947 ( 6.424 -2.767 1.916) 7.252 47.322 ( -2.847 5.214 2.792) 6.564 50.037 ( -1.944 -1.844 -4.820) 5.515 87.537 ( 0.059 -0.007 -0.029) 0.066 87.555 ( 0.106 0.102 0.057) 0.157 87.566 ( -0.100 -0.078 -0.012) 0.128======================= Grid point 258 (91/288) =======================q-point: (-0.21 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( -19.775 -3.042 13.914) 24.370 1.428 ( -27.593 2.625 15.618) 31.815 2.408 ( -33.741 -10.284 13.770) 37.866 3.007 ( 18.202 4.462 3.931) 19.148 4.201 ( -11.107 -4.047 -1.037) 11.867 4.272 ( -9.529 -0.875 0.059) 9.570 4.992 ( 9.694 -0.779 8.540) 12.943 5.153 ( -1.060 6.214 4.603) 7.806 5.343 ( 1.877 -4.000 9.847) 10.792 5.572 ( 2.794 7.193 -7.585) 10.820 5.962 ( -3.492 -8.325 4.307) 10.002 6.304 ( -10.405 0.018 -0.595) 10.422 7.052 ( 3.202 -1.742 -0.355) 3.663 7.161 ( 16.878 2.627 -2.949) 17.334 7.784 ( -1.598 -3.758 -2.117) 4.599 7.937 ( -6.825 3.636 -1.361) 7.852 8.169 ( 8.161 0.860 -3.659) 8.985 8.463 ( 0.491 1.388 -4.719) 4.944 8.585 ( -1.513 -0.362 -1.715) 2.315 8.617 ( -3.889 -0.086 -1.565) 4.193 9.385 ( 3.231 5.483 -15.966) 17.187 22.547 ( 1.572 0.648 0.786) 1.873 22.640 ( -1.282 -0.785 0.866) 1.735 22.726 ( 2.170 -0.449 7.348) 7.674 31.375 ( -1.457 -0.249 -0.319) 1.512 31.625 ( 1.354 0.527 -1.216) 1.895 31.660 ( -0.202 -0.369 -0.699) 0.816 40.518 ( 1.013 0.864 -0.999) 1.664 40.577 ( 0.294 -0.388 -1.098) 1.201 40.712 ( 0.601 0.552 1.508) 1.715 41.284 ( -0.557 -0.935 3.358) 3.530 41.571 ( 1.203 0.060 -0.131) 1.212 41.755 ( -0.472 -0.040 -0.591) 0.757 47.025 ( 6.105 -4.097 3.542) 8.161 47.340 ( -2.513 -1.008 0.278) 2.722 49.609 ( -14.566 3.199 -37.208) 40.085 87.547 ( 0.329 0.099 0.878) 0.943 87.559 ( 0.083 0.005 0.260) 0.273 87.566 ( -0.027 -0.043 0.205) 0.212======================= Grid point 259 (92/288) =======================q-point: (-0.14 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( -16.951 6.520 19.214) 26.439 1.621 ( -21.822 -0.076 20.919) 30.230 2.595 ( -22.596 -6.670 33.242) 40.744 3.243 ( 17.828 3.348 6.854) 19.391 4.085 ( -11.950 -2.716 -1.295) 12.323 4.207 ( -8.227 -0.490 -0.153) 8.243 5.142 ( 1.394 1.746 1.303) 2.586 5.243 ( -2.372 1.374 4.191) 5.008 5.499 ( 7.922 0.755 0.111) 7.959 5.671 ( 9.424 3.941 15.212) 18.324 5.974 ( -1.355 -8.750 3.863) 9.660 6.223 ( -10.177 1.579 -0.931) 10.341 7.029 ( 2.102 -2.632 -2.541) 4.219 7.212 ( 15.000 1.112 -4.442) 15.683 7.709 ( -0.541 -2.929 -2.773) 4.070 7.892 ( -6.497 3.785 -1.215) 7.617 8.115 ( 6.662 -0.095 -8.522) 10.818 8.322 ( -9.880 1.042 -9.053) 13.441 8.524 ( -1.529 -0.870 -2.901) 3.393 8.561 ( -1.195 1.022 -1.516) 2.184 9.172 ( -4.744 5.720 -6.510) 9.879 22.583 ( 1.446 0.641 1.848) 2.433 22.649 ( -1.538 -1.246 1.754) 2.645 22.885 ( 6.418 0.062 5.725) 8.600 31.358 ( -1.210 -0.085 -0.500) 1.312 31.606 ( 1.010 0.547 -2.000) 2.307 31.637 ( -0.216 -0.545 -1.490) 1.601 40.508 ( 1.056 0.958 -1.328) 1.949 40.556 ( -0.048 -0.287 -0.918) 0.963 40.748 ( 2.698 0.764 0.352) 2.826 41.354 ( 2.070 -0.749 3.788) 4.382 41.572 ( 0.964 -0.316 -0.555) 1.156 41.729 ( -1.451 -0.003 -1.746) 2.270 47.117 ( 5.072 -4.018 4.127) 7.675 47.291 ( -1.226 -8.060 -2.137) 8.429 48.748 ( -33.101 8.934 -36.487) 50.068 87.561 ( 0.170 -0.057 0.326) 0.373 87.567 ( -0.057 0.147 0.435) 0.463 87.579 ( 0.736 -0.000 1.083) 1.310======================= Grid point 260 (93/288) =======================q-point: (-0.07 0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( -10.069 9.956 20.922) 25.263 1.863 ( -16.693 -3.904 23.053) 28.728 3.141 ( -8.725 -1.756 38.737) 39.746 3.501 ( 15.485 2.328 7.781) 17.485 3.986 ( -10.220 -2.354 0.032) 10.488 4.161 ( -6.812 0.667 0.961) 6.912 5.096 ( 0.153 5.810 -6.609) 8.801 5.256 ( -6.198 -2.543 1.273) 6.819 5.620 ( 7.469 0.668 5.400) 9.240 5.848 ( 1.443 -3.703 -0.288) 3.985 6.110 ( -3.576 2.856 1.804) 4.919 6.208 ( 7.249 -2.614 11.805) 14.097 6.995 ( 4.660 -2.873 -2.173) 5.890 7.227 ( 7.111 2.503 -2.732) 8.019 7.666 ( 1.689 -1.840 -1.886) 3.129 7.818 ( -5.822 -1.128 -3.200) 6.739 7.957 ( 4.139 -0.439 -13.093) 13.738 8.091 ( -16.845 4.522 -5.873) 18.404 8.483 ( 1.177 -1.665 -1.233) 2.382 8.550 ( -0.202 1.123 0.049) 1.142 9.142 ( -2.856 4.088 2.876) 5.757 22.634 ( 1.069 0.729 2.500) 2.815 22.671 ( -1.310 -1.136 2.374) 2.940 22.985 ( 5.366 -0.334 1.085) 5.485 31.341 ( -0.935 0.060 -0.506) 1.064 31.574 ( 0.823 0.438 -2.396) 2.571 31.603 ( -0.290 -0.511 -1.929) 2.017 40.494 ( 1.144 0.741 -1.402) 1.955 40.543 ( -0.126 0.170 -0.573) 0.611 40.754 ( 2.483 -0.035 -1.896) 3.124 41.423 ( 3.181 -0.715 1.997) 3.823 41.563 ( 0.714 -0.386 -0.891) 1.206 41.675 ( -2.758 0.147 -2.561) 3.767 47.170 ( -0.336 -4.946 -1.876) 5.300 47.229 ( 3.890 -8.182 1.967) 9.271 48.103 ( -28.070 13.401 -17.221) 35.554 87.567 ( 0.126 -0.090 0.309) 0.346 87.574 ( -0.146 0.121 0.466) 0.503 87.604 ( 0.787 -0.021 1.020) 1.288======================= Grid point 265 (94/288) =======================q-point: ( 0.29 -0.71 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 0.000 -5.506 3.801) 6.691 3.009 ( -0.000 2.407 -3.080) 3.909 3.391 ( -0.000 -1.615 -19.359) 19.426 4.189 ( 0.000 -4.001 -11.419) 12.099 4.334 ( -0.000 -2.099 -8.801) 9.047 4.383 ( 0.000 -3.234 11.050) 11.514 5.381 ( 0.000 -12.308 10.801) 16.375 5.634 ( -0.000 3.711 5.407) 6.558 5.675 ( 0.000 -3.781 -5.218) 6.444 5.915 ( 0.000 -1.333 -1.218) 1.805 6.000 ( -0.000 7.056 -0.044) 7.056 6.568 ( 0.000 -2.827 -1.672) 3.284 6.831 ( 0.000 -4.005 -1.412) 4.247 6.850 ( -0.000 -0.864 -5.584) 5.651 7.000 ( 0.000 1.264 4.415) 4.593 7.593 ( -0.000 2.731 5.830) 6.438 7.629 ( 0.000 0.902 6.825) 6.885 7.823 ( -0.000 16.218 1.154) 16.259 8.509 ( 0.000 -4.162 -0.743) 4.228 8.679 ( -0.000 2.184 0.782) 2.320 9.709 ( 0.000 -8.032 -1.171) 8.117 22.736 ( 0.000 -1.784 -2.995) 3.486 22.813 ( -0.000 1.586 -2.192) 2.705 22.823 ( -0.000 0.508 -0.921) 1.052 31.431 ( 0.000 -0.347 2.654) 2.677 31.435 ( 0.000 -1.408 0.367) 1.455 31.508 ( -0.000 1.625 0.909) 1.862 40.487 ( 0.000 -2.425 1.334) 2.768 40.509 ( 0.000 -2.517 1.645) 3.007 40.620 ( -0.000 2.895 0.934) 3.042 41.411 ( 0.000 -0.482 -1.511) 1.587 41.469 ( -0.000 1.657 -0.695) 1.797 41.637 ( 0.000 0.482 2.338) 2.387 46.883 ( -0.000 3.953 0.200) 3.958 46.940 ( -0.000 4.378 -4.743) 6.455 48.847 ( 0.000 -10.349 21.462) 23.827 87.577 ( -0.000 -0.077 -0.365) 0.373 87.585 ( -0.000 0.187 -0.580) 0.610 87.620 ( 0.000 -0.250 -0.817) 0.854======================= Grid point 267 (95/288) =======================q-point: (-0.64 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( -3.739 -5.424 3.880) 7.646 2.896 ( -3.149 -4.694 -8.740) 10.408 3.063 ( 4.062 0.038 -17.542) 18.007 3.794 ( -0.560 -0.165 -26.548) 26.555 4.286 ( -1.720 -4.784 1.575) 5.322 4.555 ( -0.613 -1.467 9.324) 9.458 5.428 ( -1.376 -2.434 -7.264) 7.784 5.574 ( -2.554 -8.344 0.926) 8.775 5.623 ( 2.164 0.056 -4.995) 5.444 5.969 ( -5.722 1.558 5.274) 7.936 6.062 ( 6.430 4.162 4.895) 9.090 6.372 ( -1.403 -2.086 -15.377) 15.581 6.714 ( -6.067 -2.022 -4.643) 7.903 6.908 ( 3.850 -1.702 4.158) 5.917 7.129 ( 4.312 1.635 7.674) 8.953 7.720 ( -0.691 -1.699 8.374) 8.573 7.814 ( 1.324 0.236 12.341) 12.414 7.934 ( 1.718 14.452 4.071) 15.112 8.490 ( -0.573 -3.867 0.861) 4.003 8.702 ( -0.500 2.087 0.906) 2.330 9.619 ( -1.056 -8.997 -4.816) 10.259 22.674 ( 0.172 -2.080 -3.166) 3.792 22.768 ( -1.694 1.794 -2.699) 3.656 22.807 ( 1.720 0.818 -2.017) 2.774 31.435 ( -1.091 -1.249 0.738) 1.815 31.479 ( 0.955 -0.616 2.419) 2.673 31.538 ( 0.070 1.753 1.629) 2.394 40.502 ( -0.567 -1.963 1.572) 2.578 40.529 ( 0.658 -2.216 1.163) 2.588 40.650 ( -0.144 1.745 1.498) 2.304 41.383 ( -0.030 -0.227 -1.489) 1.507 41.467 ( 0.401 2.202 -0.450) 2.283 41.680 ( -0.005 0.323 2.338) 2.361 46.875 ( 0.555 3.324 -3.801) 5.080 46.932 ( 0.918 7.099 1.847) 7.393 49.189 ( -3.291 -12.956 23.294) 26.857 87.569 ( -0.114 0.063 -0.438) 0.457 87.575 ( 0.233 0.133 -0.727) 0.775 87.604 ( -0.037 -0.229 -0.850) 0.881======================= Grid point 268 (96/288) =======================q-point: (-0.57 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( -9.098 -9.862 -13.967) 19.368 2.792 ( 3.409 -5.011 -8.272) 10.254 2.852 ( -5.046 -1.453 -4.243) 6.751 3.314 ( 1.276 1.471 -25.926) 25.999 4.300 ( -1.699 -2.401 2.595) 3.923 4.685 ( -3.894 0.097 6.947) 7.965 5.172 ( 1.136 -1.254 -17.638) 17.719 5.429 ( -2.384 4.684 -10.746) 11.962 5.664 ( 0.788 -9.704 5.142) 11.010 5.939 ( -6.255 -2.286 -7.351) 9.919 6.096 ( -0.070 0.487 -7.042) 7.059 6.280 ( 4.799 3.031 9.267) 10.867 6.598 ( -3.850 -0.229 -3.565) 5.253 6.966 ( -0.199 -1.407 1.904) 2.376 7.319 ( 8.333 2.796 7.234) 11.384 7.852 ( -0.563 -5.992 8.288) 10.242 8.046 ( -1.813 4.488 10.608) 11.660 8.108 ( 3.378 4.587 10.536) 11.978 8.508 ( -0.834 -2.283 3.082) 3.925 8.720 ( -1.323 1.790 0.985) 2.434 9.463 ( -0.033 -9.024 -7.941) 12.020 22.612 ( 0.331 -2.150 -3.016) 3.718 22.714 ( -1.898 2.087 -2.708) 3.911 22.780 ( 2.018 0.845 -2.748) 3.513 31.436 ( -1.474 -1.048 0.761) 1.963 31.522 ( 1.351 -0.477 1.827) 2.322 31.579 ( -0.008 1.461 2.176) 2.621 40.518 ( -0.619 -1.556 1.349) 2.151 40.539 ( 0.573 -1.214 0.331) 1.383 40.683 ( 0.025 0.337 1.731) 1.763 41.356 ( -0.143 -0.027 -1.489) 1.496 41.476 ( 0.834 2.354 -0.026) 2.498 41.720 ( 0.035 0.198 1.932) 1.943 46.830 ( 2.878 1.778 -3.559) 4.910 47.025 ( -0.425 10.185 4.406) 11.105 49.519 ( -6.253 -14.339 23.379) 28.130 87.560 ( -0.018 0.077 -0.560) 0.566 87.565 ( 0.265 0.204 -0.635) 0.717 87.588 ( -0.070 -0.218 -0.713) 0.749======================= Grid point 269 (97/288) =======================q-point: (-0.50 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( -12.233 -14.140 -15.130) 24.052 2.573 ( -3.447 -2.936 -17.299) 17.881 2.661 ( -3.216 -1.129 -10.121) 10.679 3.049 ( -0.433 0.668 -4.722) 4.789 4.327 ( -1.636 -0.675 2.146) 2.782 4.719 ( -8.471 1.721 -1.406) 8.758 4.884 ( 5.201 -2.528 -12.639) 13.899 5.248 ( -1.386 7.215 -10.377) 12.714 5.642 ( -1.629 -6.806 -11.185) 13.194 5.717 ( 0.961 -2.825 -2.522) 3.907 6.064 ( -8.372 -3.918 3.763) 9.980 6.460 ( 4.856 3.994 3.983) 7.443 6.565 ( -1.021 3.237 2.170) 4.029 6.982 ( -0.370 -2.142 1.550) 2.670 7.504 ( 8.892 3.404 5.597) 11.044 7.950 ( -0.080 -7.415 5.930) 9.495 8.185 ( -1.164 3.831 4.887) 6.318 8.342 ( -1.229 -0.435 11.733) 11.805 8.564 ( -0.907 -0.976 4.220) 4.425 8.734 ( -2.515 1.561 1.214) 3.199 9.297 ( 5.156 -7.152 -7.635) 11.663 22.558 ( 0.519 -1.602 -2.507) 3.020 22.668 ( -1.720 2.032 -2.016) 3.340 22.744 ( 1.685 0.475 -2.987) 3.462 31.433 ( -1.739 -0.821 0.594) 2.013 31.558 ( 1.644 -0.142 1.210) 2.046 31.622 ( -0.080 0.937 2.046) 2.252 40.523 ( -0.126 -1.186 0.077) 1.195 40.547 ( 0.058 -0.080 0.702) 0.709 40.711 ( 0.193 -0.645 1.271) 1.439 41.328 ( -0.546 -0.031 -1.400) 1.503 41.495 ( 1.217 2.076 0.348) 2.431 41.749 ( 0.036 0.034 1.218) 1.219 46.806 ( 4.290 0.273 -2.238) 4.847 47.152 ( -1.353 11.578 5.472) 12.877 49.811 ( -7.108 -13.403 20.484) 25.490 87.550 ( 0.222 -0.008 -0.652) 0.689 87.558 ( 0.076 0.309 -0.414) 0.522 87.577 ( -0.089 -0.199 -0.445) 0.496======================= Grid point 270 (98/288) =======================q-point: (-0.43 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -14.672 -16.032 -14.061) 25.884 2.178 ( -19.298 -1.408 -13.159) 23.400 2.559 ( 10.837 1.422 -5.897) 12.419 2.994 ( -10.231 -1.776 0.659) 10.405 4.343 ( -2.260 -0.171 1.311) 2.619 4.552 ( 0.415 0.551 -9.005) 9.032 4.803 ( -3.550 -1.923 -0.669) 4.092 5.116 ( -0.210 8.838 -6.926) 11.230 5.403 ( -0.703 -6.229 -9.107) 11.056 5.691 ( 1.254 1.872 -2.980) 3.736 6.054 ( -11.166 -8.447 5.303) 14.971 6.524 ( 1.552 2.298 0.604) 2.838 6.654 ( 3.175 4.840 3.294) 6.660 7.015 ( 1.639 -1.290 2.414) 3.190 7.659 ( 7.765 2.900 3.981) 9.196 8.008 ( 1.299 -4.966 3.051) 5.971 8.221 ( -4.468 -0.641 0.253) 4.520 8.479 ( -1.779 0.057 5.608) 5.883 8.618 ( -1.014 -0.653 2.395) 2.681 8.714 ( -3.719 0.767 -1.904) 4.248 9.259 ( 12.528 -2.432 -1.279) 12.825 22.521 ( 0.894 -0.607 -1.549) 1.888 22.637 ( -1.557 1.816 -0.973) 2.583 22.705 ( 0.663 -0.568 -2.083) 2.258 31.426 ( -1.866 -0.602 0.295) 1.982 31.586 ( 1.802 0.141 0.556) 1.891 31.654 ( -0.133 0.438 1.325) 1.402 40.517 ( 0.420 -0.351 -0.432) 0.698 40.561 ( -0.085 0.447 0.660) 0.802 40.723 ( -0.021 -1.084 0.348) 1.139 41.300 ( -1.207 -0.309 -0.859) 1.513 41.519 ( 1.436 1.470 0.469) 2.108 41.763 ( -0.072 -0.133 0.490) 0.513 46.814 ( 5.445 -1.362 -0.299) 5.621 47.278 ( -2.329 10.412 4.901) 11.741 50.025 ( -4.620 -9.291 12.281) 16.078 87.541 ( 0.172 -0.033 -0.505) 0.534 87.554 ( 0.056 0.251 -0.184) 0.316 87.570 ( -0.089 -0.149 -0.187) 0.255======================= Grid point 271 (99/288) =======================q-point: (-0.36 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( -17.304 -12.572 -2.840) 21.577 1.888 ( -25.990 -0.149 -1.258) 26.021 2.597 ( 13.831 2.407 -0.443) 14.046 2.901 ( -17.417 -3.211 0.998) 17.739 4.339 ( -3.346 -0.759 0.447) 3.460 4.478 ( -2.355 -1.239 0.668) 2.744 4.764 ( -1.522 -1.568 0.151) 2.191 5.083 ( 0.330 9.578 -0.595) 9.602 5.288 ( -0.645 -6.155 -0.510) 6.210 5.637 ( 1.283 6.817 -6.094) 9.233 6.038 ( -9.266 -10.413 4.937) 14.788 6.519 ( -7.944 0.362 0.722) 7.985 6.760 ( 13.198 3.033 0.831) 13.567 7.059 ( 2.572 0.056 0.553) 2.631 7.767 ( 5.394 0.938 2.010) 5.832 8.031 ( 2.690 -1.893 -1.045) 3.452 8.149 ( -5.394 -0.180 -2.708) 6.038 8.519 ( -0.902 1.275 -1.492) 2.160 8.621 ( -1.285 -0.963 0.441) 1.665 8.673 ( -2.174 0.756 -0.045) 2.303 9.328 ( 14.088 2.115 -3.531) 14.677 22.511 ( 1.327 0.283 -0.419) 1.420 22.632 ( -1.163 1.735 0.824) 2.246 22.682 ( -0.629 -2.109 0.264) 2.216 31.414 ( -1.860 -0.397 -0.053) 1.903 31.602 ( 1.815 0.363 -0.230) 1.866 31.669 ( -0.173 -0.016 0.315) 0.360 40.512 ( 0.713 0.442 -0.622) 1.044 40.571 ( 0.422 0.594 0.122) 0.739 40.716 ( -0.627 -0.968 -0.227) 1.176 41.284 ( -1.647 -0.770 0.546) 1.898 41.540 ( 1.461 0.736 0.314) 1.666 41.766 ( -0.213 -0.199 0.029) 0.293 46.858 ( 6.309 -3.095 1.815) 7.257 47.363 ( -3.024 6.270 2.832) 7.516 50.062 ( -1.784 -2.543 -4.845) 5.755 87.536 ( 0.065 -0.028 -0.010) 0.071 87.554 ( 0.083 0.140 0.054) 0.171 87.567 ( -0.090 -0.100 -0.018) 0.135======================= Grid point 272 (100/288) =======================q-point: (-0.29 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.404 ( -17.542 -3.501 12.480) 21.811 1.803 ( -27.228 2.557 11.759) 29.769 2.721 ( 2.932 -1.493 5.566) 6.466 2.833 ( -7.989 -1.006 5.865) 9.962 4.303 ( -4.740 -1.743 -1.038) 5.156 4.449 ( -14.641 -2.369 1.796) 14.940 4.854 ( 9.761 -1.135 8.206) 12.803 5.169 ( -1.120 8.222 5.364) 9.881 5.326 ( 0.860 -4.746 7.328) 8.773 5.551 ( 0.426 9.354 -7.188) 11.804 6.021 ( -5.602 -10.609 3.427) 12.477 6.457 ( -11.750 0.036 0.132) 11.751 6.878 ( 17.821 0.891 -0.426) 17.848 7.054 ( 2.802 -0.674 -3.104) 4.235 7.789 ( 1.570 -3.115 -2.088) 4.065 7.988 ( 1.943 2.469 -4.073) 5.144 8.099 ( -1.072 2.270 -1.885) 3.139 8.451 ( 0.822 2.071 -5.478) 5.914 8.602 ( -1.030 0.006 -2.183) 2.414 8.672 ( -3.936 -0.279 0.933) 4.055 9.299 ( 8.967 5.930 -9.942) 14.643 22.526 ( 1.501 0.606 0.784) 1.798 22.654 ( -0.885 0.309 1.277) 1.584 22.711 ( 0.336 -1.747 4.669) 4.996 31.397 ( -1.747 -0.204 -0.368) 1.797 31.604 ( 1.660 0.540 -1.111) 2.069 31.663 ( -0.188 -0.417 -0.695) 0.832 40.506 ( 0.775 1.047 -0.973) 1.626 40.570 ( 0.672 0.185 -0.958) 1.184 40.710 ( -0.259 -0.173 0.412) 0.517 41.296 ( -1.101 -1.122 2.344) 2.822 41.554 ( 1.341 0.062 -0.027) 1.343 41.761 ( -0.340 -0.154 -0.371) 0.526 46.936 ( 6.748 -4.588 3.552) 8.899 47.379 ( -3.125 -0.252 -0.041) 3.135 49.756 ( -7.941 4.630 -26.771) 28.306 87.543 ( 0.217 0.028 0.661) 0.696 87.558 ( 0.070 0.026 0.284) 0.293 87.567 ( -0.066 -0.046 0.128) 0.152======================= Grid point 273 (101/288) =======================q-point: (-0.21 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -17.070 5.683 17.042) 24.782 1.924 ( -22.896 3.030 17.508) 28.982 2.860 ( -13.238 -5.958 20.709) 25.290 3.019 ( 12.799 2.857 9.141) 15.985 4.225 ( -7.084 -2.068 -2.203) 7.702 4.349 ( -14.305 -1.269 -0.072) 14.361 5.093 ( 6.558 0.429 8.106) 10.436 5.258 ( -0.770 3.668 3.254) 4.964 5.435 ( 1.309 2.116 -0.385) 2.518 5.592 ( 3.132 4.525 12.597) 13.747 6.003 ( -2.930 -9.743 2.537) 10.486 6.374 ( -11.823 0.649 -0.616) 11.857 6.965 ( 15.231 -0.052 -6.231) 16.456 7.012 ( 5.733 -1.698 -0.104) 5.980 7.718 ( -0.297 -2.601 -3.861) 4.665 7.944 ( 2.315 3.228 -4.781) 6.216 8.044 ( 0.150 1.444 -5.318) 5.512 8.365 ( 1.013 2.016 -5.914) 6.330 8.545 ( -0.578 0.031 -3.309) 3.359 8.615 ( -6.401 -0.200 -2.647) 6.930 9.204 ( 0.260 7.938 -5.562) 9.696 22.563 ( 1.504 0.683 1.960) 2.563 22.670 ( -1.532 -1.197 1.822) 2.665 22.817 ( 3.716 -0.625 5.303) 6.505 31.377 ( -1.554 -0.023 -0.570) 1.655 31.590 ( 1.362 0.648 -1.914) 2.436 31.640 ( -0.179 -0.701 -1.461) 1.630 40.495 ( 0.808 1.320 -1.365) 2.064 40.553 ( 0.460 0.198 -1.200) 1.301 40.722 ( 1.202 0.167 0.239) 1.237 41.339 ( 0.391 -1.157 3.059) 3.294 41.557 ( 1.143 -0.406 -0.424) 1.285 41.743 ( -0.739 -0.125 -1.234) 1.444 47.035 ( 6.644 -5.325 4.613) 9.684 47.319 ( -2.624 -7.086 -2.786) 8.053 49.114 ( -21.508 11.458 -34.087) 41.902 87.558 ( 0.269 -0.027 0.516) 0.583 87.567 ( 0.070 0.119 0.640) 0.654 87.572 ( 0.257 -0.061 0.591) 0.648======================= Grid point 274 (102/288) =======================q-point: (-0.14 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -14.024 11.295 17.247) 24.934 2.100 ( -17.983 -1.659 18.428) 25.802 3.237 ( 0.861 -1.412 24.113) 24.169 3.311 ( 6.694 1.135 16.546) 17.885 4.126 ( -8.748 -1.550 -1.444) 9.001 4.264 ( -9.861 -0.473 0.172) 9.874 5.102 ( -0.977 8.667 -7.203) 11.311 5.337 ( -5.145 -1.569 3.771) 6.569 5.518 ( 6.807 -1.210 7.014) 9.848 5.820 ( 1.852 0.122 3.796) 4.225 6.065 ( 2.669 -4.463 10.934) 12.108 6.286 ( -10.011 0.677 -0.812) 10.067 6.910 ( 8.558 -1.164 -5.705) 10.351 7.094 ( 10.494 -0.208 1.075) 10.551 7.650 ( 0.835 -0.674 -3.302) 3.472 7.853 ( 3.710 0.470 -8.887) 9.642 7.921 ( -1.972 -0.661 -7.453) 7.737 8.260 ( -6.429 2.858 -5.191) 8.743 8.481 ( -1.095 -1.025 -2.197) 2.660 8.556 ( -1.750 0.688 -0.409) 1.924 9.186 ( -3.171 7.089 1.133) 7.848 22.618 ( 1.292 0.803 2.688) 3.088 22.691 ( -1.600 -1.426 2.372) 3.197 22.916 ( 4.627 -0.506 2.475) 5.272 31.357 ( -1.306 0.132 -0.592) 1.440 31.561 ( 1.078 0.615 -2.410) 2.710 31.606 ( -0.194 -0.764 -1.851) 2.011 40.480 ( 0.925 1.259 -1.539) 2.193 40.540 ( 0.539 0.736 -0.888) 1.273 40.725 ( 1.650 -0.419 -1.126) 2.041 41.391 ( 1.585 -1.019 2.304) 2.976 41.552 ( 0.909 -0.532 -0.745) 1.290 41.704 ( -1.573 -0.106 -2.247) 2.745 47.142 ( 5.571 -5.206 4.531) 8.869 47.204 ( -1.354 -10.320 -3.863) 11.102 48.474 ( -25.652 16.110 -24.088) 38.702 87.565 ( 0.112 -0.112 0.310) 0.348 87.576 ( -0.121 0.168 0.492) 0.534 87.593 ( 0.763 -0.036 1.083) 1.325======================= Grid point 275 (103/288) =======================q-point: (-0.07 0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( -7.531 8.899 15.077) 19.058 2.346 ( -12.505 -1.693 21.414) 24.855 3.559 ( 11.892 3.281 9.327) 15.465 3.717 ( -0.790 -2.929 19.360) 19.596 4.096 ( -6.367 0.223 7.288) 9.681 4.224 ( -6.958 -0.755 2.542) 7.447 5.000 ( -0.010 9.382 -6.622) 11.484 5.315 ( -8.778 -1.899 0.676) 9.007 5.663 ( 5.175 0.788 3.182) 6.126 5.811 ( -0.399 -6.007 -0.642) 6.055 6.173 ( -8.065 2.780 -0.808) 8.569 6.342 ( 6.948 -0.915 9.440) 11.756 6.889 ( 9.405 -1.014 -3.207) 9.989 7.171 ( 6.781 -1.778 0.879) 7.065 7.596 ( 3.207 1.189 -5.134) 6.170 7.673 ( 3.551 -0.705 -13.026) 13.520 7.791 ( -5.272 -4.296 -3.117) 7.481 8.125 ( -12.614 5.974 -4.446) 14.648 8.461 ( 0.888 -2.139 0.424) 2.355 8.564 ( 0.237 0.332 1.213) 1.280 9.251 ( -1.534 4.775 5.255) 7.264 22.679 ( 0.936 0.887 2.938) 3.209 22.720 ( -1.351 -1.269 2.600) 3.193 22.960 ( 3.428 -0.541 -0.220) 3.478 31.340 ( -1.021 0.239 -0.387) 1.118 31.526 ( 0.934 0.385 -2.472) 2.670 31.568 ( -0.281 -0.567 -1.862) 1.967 40.464 ( 1.132 0.764 -1.446) 1.989 40.535 ( 0.495 1.323 -0.544) 1.514 40.699 ( 1.070 -1.210 -2.457) 2.940 41.431 ( 1.873 -0.893 1.233) 2.413 41.541 ( 0.672 -0.255 -0.900) 1.152 41.647 ( -2.187 0.009 -2.464) 3.294 47.072 ( 0.230 -8.737 -4.522) 9.840 47.254 ( 3.365 -3.173 4.674) 6.575 48.064 ( -19.323 14.259 -11.899) 26.801 87.571 ( 0.141 -0.088 0.316) 0.357 87.585 ( -0.188 0.145 0.513) 0.565 87.616 ( 0.702 -0.075 0.883) 1.130======================= Grid point 281 (104/288) =======================q-point: ( 0.36 -0.64 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.691 ( 0.000 -13.107 -12.162) 17.880 2.710 ( -0.000 -0.850 -15.117) 15.141 2.911 ( 0.000 -2.248 4.393) 4.935 3.302 ( -0.000 1.071 -28.194) 28.214 4.313 ( 0.000 -2.591 2.335) 3.488 4.708 ( 0.000 0.722 7.510) 7.545 5.166 ( -0.000 -1.474 -18.643) 18.702 5.447 ( -0.000 5.984 -11.810) 13.240 5.656 ( 0.000 -9.600 5.743) 11.187 5.997 ( 0.000 -5.624 -15.563) 16.548 6.074 ( -0.000 4.961 1.706) 5.246 6.252 ( 0.000 1.948 8.931) 9.141 6.637 ( 0.000 -3.953 -3.912) 5.561 6.963 ( -0.000 1.367 2.273) 2.653 7.257 ( 0.000 1.709 7.678) 7.866 7.855 ( 0.000 -6.587 8.276) 10.578 8.063 ( -0.000 10.830 5.284) 12.050 8.081 ( 0.000 -0.591 16.971) 16.981 8.514 ( 0.000 -2.767 3.082) 4.141 8.728 ( -0.000 2.375 0.950) 2.559 9.462 ( 0.000 -9.500 -9.014) 13.096 22.610 ( 0.000 -2.224 -2.990) 3.727 22.733 ( -0.000 2.046 -2.791) 3.461 22.761 ( -0.000 0.879 -2.643) 2.785 31.447 ( 0.000 -1.178 0.746) 1.394 31.512 ( 0.000 -0.331 1.804) 1.834 31.579 ( -0.000 1.454 2.210) 2.645 40.525 ( 0.000 -1.359 1.512) 2.032 40.533 ( 0.000 -1.627 0.260) 1.648 40.683 ( 0.000 0.326 1.665) 1.697 41.357 ( -0.000 -0.152 -1.376) 1.385 41.470 ( -0.000 2.569 -0.102) 2.571 41.720 ( 0.000 0.231 1.910) 1.924 46.810 ( -0.000 1.872 -3.686) 4.134 47.028 ( -0.000 10.509 4.622) 11.480 49.561 ( 0.000 -14.415 23.027) 27.167 87.561 ( -0.000 0.058 -0.775) 0.777 87.563 ( -0.000 0.215 -0.412) 0.465 87.589 ( 0.000 -0.226 -0.712) 0.747======================= Grid point 283 (105/288) =======================q-point: (-0.57 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( -7.775 -15.415 -15.038) 22.896 2.490 ( 6.938 -1.347 -13.178) 14.954 2.814 ( -9.736 0.204 -18.115) 20.567 3.018 ( 3.915 -1.481 2.285) 4.769 4.344 ( -0.775 -0.497 2.013) 2.213 4.784 ( -1.301 4.510 -11.788) 12.688 4.845 ( 0.443 -4.143 -3.192) 5.248 5.260 ( -0.418 8.022 -11.652) 14.153 5.665 ( -1.734 -6.211 -12.908) 14.429 5.700 ( 1.558 -3.312 -1.835) 4.094 6.123 ( -1.034 -0.134 3.091) 3.262 6.443 ( -1.659 2.185 8.864) 9.279 6.578 ( 0.071 -2.233 0.270) 2.250 6.990 ( -0.667 0.690 0.848) 1.281 7.406 ( 4.547 2.197 6.224) 8.015 7.952 ( -0.130 -8.748 5.990) 10.603 8.189 ( 0.108 6.184 4.718) 7.779 8.364 ( -1.216 -1.006 14.122) 14.210 8.572 ( -0.302 -1.671 4.247) 4.574 8.759 ( -0.991 2.689 1.934) 3.458 9.242 ( 2.443 -8.254 -11.861) 14.655 22.553 ( 0.174 -1.858 -2.506) 3.124 22.690 ( -1.475 1.718 -2.046) 3.052 22.722 ( 1.409 0.885 -2.682) 3.157 31.452 ( -0.877 -0.933 0.613) 1.420 31.540 ( 0.845 -0.019 1.158) 1.433 31.622 ( -0.029 0.943 2.065) 2.270 40.525 ( -0.113 -1.028 -0.390) 1.106 40.546 ( 0.095 -0.510 1.137) 1.250 40.710 ( 0.026 -0.710 1.332) 1.510 41.333 ( -0.244 -0.223 -1.093) 1.142 41.483 ( 0.473 2.401 0.250) 2.460 41.748 ( 0.025 0.082 1.233) 1.236 46.766 ( 1.548 0.343 -2.316) 2.807 47.165 ( -0.527 12.201 5.694) 13.474 49.874 ( -2.286 -13.577 18.812) 23.312 87.548 ( 0.078 -0.002 -0.654) 0.658 87.557 ( 0.022 0.302 -0.355) 0.466 87.577 ( -0.031 -0.213 -0.453) 0.501======================= Grid point 284 (106/288) =======================q-point: (-0.50 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.959 ( -9.428 -16.550 -13.933) 23.599 2.323 ( 0.629 1.882 -9.429) 9.636 2.509 ( -5.533 -1.397 -8.263) 10.043 3.080 ( -3.064 -1.770 3.649) 5.083 4.368 ( -1.328 0.376 1.378) 1.950 4.503 ( 4.135 -0.187 -13.591) 14.207 4.877 ( -4.923 0.897 2.294) 5.505 5.114 ( 0.548 9.249 -8.002) 12.243 5.413 ( -0.666 -6.340 -9.175) 11.173 5.680 ( 0.494 2.334 -2.810) 3.686 6.163 ( -3.501 -5.835 4.064) 7.925 6.492 ( -2.726 -1.135 1.597) 3.357 6.669 ( 0.443 4.202 5.225) 6.719 7.002 ( -0.370 -1.372 1.364) 1.970 7.547 ( 7.642 2.364 3.907) 8.902 8.002 ( -0.096 -6.401 3.305) 7.205 8.260 ( -1.533 0.983 1.574) 2.407 8.515 ( -2.857 -0.268 5.146) 5.892 8.629 ( -0.563 -1.056 2.574) 2.838 8.775 ( -5.559 1.348 -0.790) 5.774 9.089 ( 12.091 -3.046 -5.615) 13.675 22.512 ( 0.484 -0.963 -1.653) 1.973 22.659 ( -1.569 1.452 -1.024) 2.371 22.694 ( 0.992 0.020 -1.482) 1.784 31.450 ( -1.446 -0.654 0.307) 1.617 31.563 ( 1.413 0.189 0.520) 1.517 31.656 ( -0.075 0.459 1.335) 1.414 40.513 ( 0.189 -0.352 -0.627) 0.743 40.561 ( -0.006 0.250 0.554) 0.608 40.724 ( -0.077 -1.162 0.662) 1.340 41.314 ( -0.770 -0.492 -0.504) 1.044 41.502 ( 0.902 1.767 0.425) 2.029 41.764 ( -0.028 -0.099 0.567) 0.576 46.755 ( 3.100 -1.313 -0.411) 3.392 47.303 ( -1.383 11.079 5.095) 12.272 50.070 ( -2.196 -9.721 9.611) 13.845 87.539 ( 0.090 -0.041 -0.405) 0.417 87.553 ( 0.028 0.273 -0.198) 0.338 87.571 ( -0.049 -0.168 -0.192) 0.259======================= Grid point 285 (107/288) =======================q-point: (-0.43 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( -12.619 -12.324 -2.858) 17.869 2.180 ( -14.886 0.588 -0.465) 14.905 2.446 ( 6.202 0.659 -0.147) 6.239 3.070 ( -7.943 -1.928 0.366) 8.182 4.373 ( -1.539 -0.042 0.463) 1.608 4.422 ( 6.701 -0.580 0.465) 6.742 4.853 ( -7.865 0.275 -0.126) 7.871 5.074 ( 0.992 9.821 -0.874) 9.909 5.298 ( -0.773 -5.952 -0.584) 6.030 5.628 ( 0.165 7.066 -5.291) 8.829 6.162 ( -7.572 -9.656 3.408) 12.735 6.518 ( 3.799 -0.717 1.514) 4.151 6.726 ( -4.473 3.031 1.156) 5.525 7.022 ( 2.166 -1.632 0.398) 2.741 7.660 ( 9.346 1.261 1.345) 9.526 8.013 ( 0.256 -2.793 -0.780) 2.912 8.220 ( -4.414 -0.245 -2.863) 5.267 8.535 ( -1.444 1.907 -2.109) 3.189 8.640 ( -1.354 -0.726 0.405) 1.589 8.711 ( -3.835 0.665 -0.259) 3.901 9.134 ( 14.313 1.790 -2.644) 14.665 22.496 ( 0.911 -0.024 -0.469) 1.025 22.648 ( -1.148 1.597 0.287) 1.988 22.687 ( -0.082 -1.637 0.704) 1.784 31.439 ( -1.735 -0.394 -0.075) 1.781 31.578 ( 1.704 0.356 -0.208) 1.753 31.671 ( -0.119 -0.001 0.318) 0.339 40.504 ( 0.431 0.411 -0.624) 0.863 40.567 ( 0.292 0.690 -0.266) 0.795 40.723 ( -0.426 -1.121 0.041) 1.200 41.304 ( -1.236 -0.887 0.523) 1.608 41.522 ( 1.162 0.913 0.357) 1.521 41.768 ( -0.150 -0.232 0.103) 0.295 46.784 ( 4.524 -2.999 1.708) 5.690 47.399 ( -2.213 6.767 2.850) 7.669 50.083 ( -1.254 -3.105 -4.825) 5.873 87.536 ( 0.051 -0.047 0.006) 0.070 87.553 ( 0.050 0.172 0.050) 0.186 87.568 ( -0.062 -0.115 -0.023) 0.133======================= Grid point 286 (108/288) =======================q-point: (-0.36 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( -14.142 -3.643 11.027) 18.299 2.144 ( -21.893 1.586 10.160) 24.187 2.558 ( 11.091 1.989 5.054) 12.349 3.009 ( -9.297 -3.052 2.093) 10.006 4.352 ( -2.803 -0.896 -1.192) 3.175 4.569 ( 0.560 -1.271 9.924) 10.021 4.792 ( -3.545 -0.861 0.534) 3.687 5.178 ( -0.022 9.797 6.938) 12.005 5.323 ( -0.543 -5.066 6.044) 7.905 5.555 ( -0.755 10.229 -6.047) 11.906 6.114 ( -7.847 -10.831 1.992) 13.522 6.571 ( 0.408 -1.146 1.883) 2.242 6.702 ( 2.276 0.755 -2.332) 3.345 7.014 ( 2.911 -1.474 -2.654) 4.206 7.719 ( 8.690 -1.800 -1.778) 9.051 7.942 ( 2.237 0.327 -6.503) 6.885 8.160 ( -5.353 4.059 -0.978) 6.788 8.448 ( -0.542 2.753 -6.735) 7.296 8.614 ( -0.713 -0.175 -2.708) 2.806 8.724 ( -3.875 0.045 2.611) 4.673 9.157 ( 11.483 5.229 -5.560) 13.789 22.507 ( 1.186 0.518 0.832) 1.539 22.665 ( -0.675 1.146 1.427) 1.950 22.710 ( -0.170 -2.423 3.241) 4.050 31.421 ( -1.809 -0.160 -0.426) 1.866 31.581 ( 1.745 0.520 -1.011) 2.082 31.665 ( -0.147 -0.435 -0.702) 0.839 40.498 ( 0.448 1.167 -0.844) 1.509 40.560 ( 0.713 0.708 -1.138) 1.518 40.716 ( -0.455 -0.715 -0.008) 0.847 41.311 ( -1.088 -1.210 1.724) 2.371 41.536 ( 1.221 0.100 0.092) 1.229 41.765 ( -0.238 -0.291 -0.285) 0.472 46.851 ( 5.630 -4.487 3.539) 8.022 47.420 ( -2.697 0.130 -0.272) 2.713 49.838 ( -4.513 4.790 -21.093) 22.096 87.541 ( 0.145 -0.020 0.516) 0.536 87.557 ( 0.046 0.048 0.302) 0.310 87.568 ( -0.061 -0.047 0.100) 0.126======================= Grid point 287 (109/288) =======================q-point: (-0.29 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( -14.577 4.950 16.213) 22.357 2.233 ( -22.177 3.780 13.956) 26.474 2.777 ( 13.142 2.113 9.353) 16.268 3.063 ( -7.306 -4.551 13.651) 16.138 4.290 ( -3.394 -0.919 -2.878) 4.543 4.562 ( -15.183 -1.845 -0.846) 15.318 4.980 ( 9.095 -0.781 13.641) 16.414 5.286 ( -3.344 5.378 0.735) 6.375 5.434 ( -0.259 5.809 2.381) 6.284 5.574 ( -0.042 3.906 10.647) 11.341 6.057 ( -5.244 -9.951 1.506) 11.349 6.533 ( -11.205 -1.150 -0.806) 11.292 6.727 ( 16.888 -0.335 -3.391) 17.228 6.971 ( 2.506 -1.465 -2.679) 3.951 7.696 ( 4.748 -3.466 -4.300) 7.283 7.858 ( 6.320 3.275 -7.172) 10.105 8.100 ( -5.652 4.114 -4.416) 8.269 8.341 ( 1.875 2.019 -6.091) 6.685 8.548 ( -0.050 0.291 -3.905) 3.916 8.698 ( -5.490 -0.481 -1.840) 5.810 9.170 ( 4.351 8.326 -1.500) 9.513 22.544 ( 1.288 0.722 2.054) 2.530 22.689 ( -1.264 -0.625 1.938) 2.397 22.780 ( 1.907 -1.301 4.366) 4.939 31.399 ( -1.734 0.050 -0.658) 1.855 31.569 ( 1.581 0.667 -1.780) 2.472 31.642 ( -0.145 -0.789 -1.466) 1.671 40.487 ( 0.383 1.661 -1.327) 2.160 40.544 ( 0.871 0.840 -1.512) 1.936 40.713 ( 0.232 -0.495 0.024) 0.547 41.339 ( -0.260 -1.293 2.369) 2.711 41.542 ( 1.127 -0.484 -0.256) 1.253 41.751 ( -0.393 -0.344 -0.975) 1.106 46.946 ( 6.281 -5.486 4.768) 9.606 47.356 ( -2.726 -6.633 -3.177) 7.844 49.345 ( -13.105 12.266 -29.735) 34.733 87.554 ( 0.288 -0.020 0.682) 0.741 87.565 ( 0.125 -0.071 0.602) 0.619 87.571 ( -0.026 0.088 0.316) 0.329======================= Grid point 288 (110/288) =======================q-point: (-0.21 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( -14.628 10.905 15.253) 23.781 2.341 ( -17.398 0.726 13.221) 21.863 3.075 ( 13.874 3.059 12.155) 18.697 3.358 ( -4.382 -3.642 24.253) 24.913 4.203 ( -3.581 -0.299 -3.677) 5.142 4.432 ( -13.314 -1.911 -1.127) 13.498 5.124 ( -2.319 9.950 -5.606) 11.653 5.352 ( 3.474 1.077 8.482) 9.229 5.484 ( -2.581 -1.811 5.121) 6.014 5.811 ( -0.526 2.324 8.353) 8.686 6.058 ( -1.244 -5.899 7.315) 9.479 6.421 ( -9.315 -1.740 -2.653) 9.841 6.754 ( 13.388 0.632 -5.461) 14.473 6.983 ( 5.832 -1.611 1.937) 6.353 7.628 ( 3.560 -1.715 -5.229) 6.554 7.772 ( 5.959 2.197 -9.077) 11.078 7.965 ( -2.988 1.258 -7.547) 8.214 8.280 ( 1.326 0.700 -3.108) 3.451 8.490 ( 0.168 -0.478 -2.536) 2.586 8.616 ( -6.155 0.657 -1.900) 6.475 9.219 ( -1.550 8.813 1.854) 9.139 22.600 ( 1.241 0.861 2.865) 3.238 22.713 ( -1.610 -1.390 2.369) 3.184 22.863 ( 3.269 -0.720 2.964) 4.471 31.376 ( -1.559 0.226 -0.704) 1.725 31.545 ( 1.318 0.714 -2.333) 2.773 31.608 ( -0.130 -0.957 -1.817) 2.058 40.470 ( 0.528 1.756 -1.635) 2.457 40.529 ( 1.061 1.429 -1.403) 2.266 40.710 ( 0.639 -0.940 -0.573) 1.273 41.377 ( 0.646 -1.157 2.125) 2.504 41.539 ( 0.949 -0.699 -0.552) 1.301 41.720 ( -0.843 -0.414 -1.902) 2.121 47.057 ( 6.457 -6.108 5.253) 10.324 47.232 ( -2.360 -10.114 -4.604) 11.360 48.780 ( -19.347 17.166 -26.265) 36.862 87.564 ( 0.088 -0.118 0.358) 0.387 87.577 ( 0.035 0.128 0.513) 0.530 87.584 ( 0.486 0.018 1.007) 1.118======================= Grid point 289 (111/288) =======================q-point: (-0.14 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( -11.061 10.641 10.685) 18.701 2.514 ( -11.913 -1.229 17.727) 21.393 3.395 ( 12.142 3.870 11.923) 17.451 3.740 ( -2.366 -2.721 18.969) 19.309 4.138 ( -1.196 1.255 -0.329) 1.764 4.350 ( -9.902 -2.570 2.592) 10.554 5.013 ( -2.048 13.288 -8.022) 15.656 5.424 ( -6.487 -0.980 1.755) 6.792 5.604 ( 2.683 -1.082 5.995) 6.656 5.835 ( -3.148 -4.394 -0.203) 5.409 6.225 ( 0.707 1.379 5.761) 5.966 6.336 ( -5.419 -1.558 2.417) 6.135 6.746 ( 11.031 1.032 -4.276) 11.876 7.075 ( 6.929 -3.427 3.333) 8.418 7.534 ( 6.403 -0.171 -9.553) 11.502 7.636 ( 1.442 0.961 -8.542) 8.716 7.842 ( -2.234 -1.975 -3.775) 4.811 8.233 ( -2.929 1.354 -2.700) 4.208 8.460 ( -0.396 -1.697 -0.151) 1.749 8.574 ( -2.652 0.542 0.360) 2.731 9.282 ( -2.902 7.544 3.544) 8.825 22.665 ( 1.032 0.958 3.136) 3.438 22.740 ( -1.544 -1.476 2.493) 3.284 22.916 ( 3.058 -0.494 0.806) 3.201 31.356 ( -1.310 0.343 -0.524) 1.452 31.512 ( 1.103 0.568 -2.484) 2.777 31.571 ( -0.161 -0.850 -1.771) 1.971 40.451 ( 0.766 1.431 -1.659) 2.321 40.521 ( 1.391 2.168 -1.121) 2.809 40.690 ( 0.234 -1.783 -1.409) 2.285 41.411 ( 1.110 -0.931 1.441) 2.043 41.531 ( 0.746 -0.480 -0.715) 1.140 41.671 ( -1.408 -0.431 -2.359) 2.781 47.073 ( -0.045 -10.600 -4.383) 11.471 47.197 ( 4.510 -4.217 5.456) 8.240 48.326 ( -18.689 16.956 -17.553) 30.740 87.569 ( 0.081 -0.091 0.306) 0.329 87.587 ( -0.095 0.157 0.539) 0.569 87.606 ( 0.664 -0.019 0.936) 1.148======================= Grid point 290 (112/288) =======================q-point: (-0.07 0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( -4.041 4.771 8.765) 10.766 2.760 ( -8.823 1.144 16.690) 18.913 3.667 ( 7.910 5.378 8.332) 12.685 3.879 ( -2.563 -5.349 3.715) 6.998 4.182 ( 1.134 1.013 0.965) 1.801 4.442 ( -2.944 -1.235 13.714) 14.081 4.952 ( 0.450 13.266 -3.548) 13.740 5.372 ( -8.797 -1.200 -0.788) 8.914 5.671 ( 1.965 0.399 0.773) 2.149 5.794 ( -2.570 -5.989 0.439) 6.532 6.201 ( -4.718 0.065 -1.811) 5.054 6.446 ( 2.245 4.154 5.056) 6.918 6.768 ( 9.973 -0.564 -1.849) 10.158 7.122 ( 4.360 -8.564 -0.555) 9.626 7.360 ( 5.384 -0.453 -13.469) 14.512 7.554 ( 1.801 4.495 -2.811) 5.599 7.771 ( -4.145 -4.471 -0.935) 6.168 8.147 ( -9.187 3.908 -3.329) 10.524 8.469 ( 0.469 -2.126 1.782) 2.813 8.586 ( 0.476 -0.406 1.329) 1.469 9.371 ( -0.394 4.677 5.109) 6.938 22.729 ( 0.735 0.902 2.870) 3.097 22.768 ( -1.183 -1.169 2.248) 2.796 22.930 ( 2.026 -0.406 -0.874) 2.243 31.344 ( -0.995 0.369 -0.109) 1.067 31.479 ( 0.988 0.273 -2.171) 2.401 31.538 ( -0.271 -0.537 -1.435) 1.556 40.434 ( 1.071 0.721 -1.318) 1.845 40.524 ( 1.588 2.862 -0.790) 3.367 40.651 ( -0.685 -2.558 -1.843) 3.226 41.435 ( 1.172 -0.732 0.823) 1.608 41.521 ( 0.565 0.078 -0.744) 0.938 41.620 ( -1.675 -0.432 -1.968) 2.620 46.962 ( 0.477 -7.080 -3.866) 8.081 47.309 ( 2.512 -2.181 4.662) 5.727 48.045 ( -12.477 11.762 -8.245) 19.027 87.575 ( 0.127 -0.062 0.263) 0.298 87.595 ( -0.193 0.161 0.455) 0.520 87.625 ( 0.607 -0.064 0.638) 0.883======================= Grid point 297 (113/288) =======================q-point: ( 0.43 -0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 0.000 -17.473 -14.322) 22.593 2.292 ( -0.000 2.782 -7.269) 7.783 2.571 ( -0.000 -1.217 -9.866) 9.941 3.097 ( 0.000 -2.122 5.112) 5.535 4.377 ( -0.000 0.500 1.434) 1.519 4.472 ( -0.000 -0.760 -14.680) 14.699 4.912 ( -0.000 2.283 2.668) 3.512 5.108 ( -0.000 9.378 -8.646) 12.755 5.418 ( 0.000 -6.277 -9.289) 11.211 5.677 ( -0.000 2.415 -2.569) 3.526 6.174 ( 0.000 -3.249 3.085) 4.480 6.563 ( 0.000 -5.075 1.136) 5.201 6.627 ( -0.000 3.863 7.292) 8.252 7.013 ( 0.000 0.187 1.157) 1.173 7.488 ( -0.000 1.704 3.770) 4.137 8.004 ( 0.000 -6.844 3.440) 7.660 8.270 ( -0.000 1.677 2.226) 2.787 8.537 ( 0.000 -0.165 4.513) 4.516 8.633 ( 0.000 -1.290 2.740) 3.029 8.839 ( -0.000 2.867 4.889) 5.668 8.978 ( 0.000 -4.765 -12.199) 13.097 22.509 ( 0.000 -1.097 -1.693) 2.017 22.678 ( -0.000 0.430 -0.440) 0.615 22.679 ( -0.000 1.131 -1.903) 2.213 31.461 ( 0.000 -0.710 0.310) 0.775 31.553 ( -0.000 0.244 0.508) 0.564 31.656 ( -0.000 0.466 1.339) 1.418 40.511 ( 0.000 -0.355 -0.706) 0.790 40.561 ( -0.000 0.180 0.532) 0.561 40.724 ( 0.000 -1.187 0.755) 1.407 41.319 ( 0.000 -0.581 -0.381) 0.695 41.496 ( -0.000 1.899 0.401) 1.941 41.764 ( 0.000 -0.086 0.600) 0.606 46.733 ( 0.000 -1.268 -0.458) 1.348 47.313 ( -0.000 11.274 5.160) 12.399 50.085 ( 0.000 -9.889 8.799) 13.237 87.538 ( -0.000 -0.043 -0.373) 0.376 87.553 ( -0.000 0.280 -0.202) 0.345 87.571 ( 0.000 -0.174 -0.194) 0.260======================= Grid point 299 (114/288) =======================q-point: (-0.50 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -5.148 -12.572 -2.862) 13.883 2.237 ( 1.858 3.547 -1.220) 4.186 2.472 ( -5.054 -2.935 1.616) 6.064 3.132 ( -1.834 -1.349 -0.310) 2.297 4.339 ( 3.234 -0.613 -0.105) 3.293 4.397 ( -0.568 -0.027 0.650) 0.863 4.931 ( -3.240 2.376 -0.391) 4.037 5.058 ( 1.080 9.858 -0.999) 9.967 5.306 ( -0.405 -5.725 -0.493) 5.760 5.628 ( -0.023 7.229 -4.948) 8.760 6.207 ( -0.124 -5.859 2.561) 6.395 6.545 ( -5.781 -4.890 1.812) 7.785 6.736 ( 3.133 2.481 1.458) 4.254 7.024 ( -1.767 -1.785 0.914) 2.673 7.550 ( 5.321 1.046 0.616) 5.457 8.014 ( -0.135 -3.114 -0.851) 3.231 8.261 ( -1.546 -0.258 -2.480) 2.934 8.552 ( -0.725 2.169 -2.281) 3.230 8.653 ( -0.518 -0.433 0.147) 0.691 8.786 ( -6.989 0.695 -1.842) 7.261 8.955 ( 11.097 1.564 -0.879) 11.241 22.487 ( 0.323 -0.200 -0.499) 0.627 22.660 ( -0.601 1.324 -0.233) 1.472 22.686 ( 0.164 -1.174 1.170) 1.665 31.457 ( -0.841 -0.425 -0.092) 0.947 31.560 ( 0.830 0.385 -0.190) 0.934 31.672 ( -0.043 0.007 0.318) 0.321 40.500 ( 0.142 0.377 -0.613) 0.734 40.564 ( 0.107 0.766 -0.483) 0.912 40.727 ( -0.155 -1.216 0.177) 1.239 41.316 ( -0.473 -0.987 0.510) 1.208 41.510 ( 0.458 1.052 0.380) 1.209 41.770 ( -0.054 -0.251 0.147) 0.296 46.741 ( 1.638 -2.873 1.644) 3.693 47.420 ( -0.805 6.972 2.858) 7.578 50.095 ( -0.452 -3.418 -4.808) 5.916 87.535 ( 0.020 -0.058 0.015) 0.063 87.553 ( 0.017 0.190 0.048) 0.197 87.569 ( -0.022 -0.124 -0.025) 0.128======================= Grid point 300 (115/288) =======================q-point: (-0.43 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -8.863 -3.903 10.142) 14.023 2.303 ( 0.751 3.892 6.045) 7.229 2.528 ( -8.460 -2.291 10.307) 13.530 3.074 ( -1.246 -1.533 -2.470) 3.163 4.381 ( -1.594 -0.710 -1.135) 2.082 4.502 ( 5.568 -0.388 13.514) 14.621 4.876 ( -5.510 0.961 -3.073) 6.382 5.170 ( 0.888 9.925 8.080) 12.829 5.339 ( -1.410 -5.077 6.551) 8.407 5.563 ( -0.174 10.737 -5.919) 12.262 6.204 ( -3.846 -8.040 1.307) 9.008 6.526 ( -1.043 -3.766 1.075) 4.053 6.733 ( 1.002 -0.748 -3.464) 3.683 7.003 ( -2.402 -1.967 -0.779) 3.201 7.586 ( 9.486 -0.692 -2.405) 9.811 7.927 ( 0.462 -0.048 -7.367) 7.381 8.220 ( -3.204 4.023 -0.673) 5.187 8.464 ( -1.583 3.841 -7.779) 8.819 8.621 ( -0.287 -0.476 -3.223) 3.270 8.782 ( -5.053 0.862 3.009) 5.944 9.002 ( 11.058 3.869 -2.092) 11.901 22.495 ( 0.655 0.442 0.880) 1.183 22.673 ( -0.438 1.380 1.308) 1.951 22.713 ( -0.116 -2.468 2.702) 3.661 31.443 ( -1.380 -0.138 -0.480) 1.467 31.559 ( 1.345 0.507 -0.931) 1.712 31.667 ( -0.081 -0.440 -0.710) 0.839 40.493 ( 0.172 1.207 -0.661) 1.387 40.552 ( 0.465 1.072 -1.426) 1.844 40.721 ( -0.310 -1.033 -0.122) 1.086 41.324 ( -0.685 -1.280 1.359) 1.988 41.522 ( 0.760 0.158 0.195) 0.800 41.767 ( -0.125 -0.397 -0.258) 0.490 46.790 ( 3.178 -4.282 3.533) 6.397 47.449 ( -1.538 0.310 -0.418) 1.623 49.882 ( -2.112 4.686 -18.268) 18.978 87.539 ( 0.075 -0.049 0.436) 0.445 87.556 ( 0.022 0.064 0.314) 0.321 87.569 ( -0.035 -0.048 0.088) 0.106======================= Grid point 301 (116/288) =======================q-point: (-0.36 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( -10.932 4.602 15.765) 19.729 2.467 ( -6.328 5.317 10.448) 13.322 2.670 ( -3.584 -0.079 10.660) 11.247 3.104 ( 1.386 -4.043 9.359) 10.288 4.327 ( -2.253 -0.633 -3.018) 3.819 4.720 ( -6.975 0.689 -1.907) 7.263 4.875 ( 5.115 -1.265 15.265) 16.149 5.340 ( -4.189 4.784 3.022) 7.041 5.438 ( -0.628 8.812 3.524) 9.511 5.577 ( 0.387 3.191 9.432) 9.965 6.143 ( -7.052 -8.667 0.322) 11.178 6.539 ( 9.336 -1.731 -2.576) 9.838 6.647 ( -3.628 -3.689 -2.750) 5.860 6.957 ( -1.704 -0.646 -1.887) 2.624 7.583 ( 10.651 -2.917 -4.957) 12.105 7.808 ( 1.833 4.162 -7.318) 8.616 8.176 ( -5.366 4.590 -5.329) 8.847 8.320 ( 1.435 2.347 -7.523) 8.010 8.547 ( 0.203 0.271 -4.468) 4.481 8.761 ( -3.846 -0.544 -1.718) 4.247 9.100 ( 5.450 7.787 3.630) 10.174 22.529 ( 0.866 0.760 2.135) 2.426 22.703 ( -0.847 0.340 2.063) 2.256 22.762 ( 0.878 -2.175 3.585) 4.284 31.422 ( -1.607 0.121 -0.748) 1.777 31.548 ( 1.509 0.643 -1.648) 2.325 31.644 ( -0.096 -0.833 -1.481) 1.702 40.485 ( -0.033 1.925 -1.178) 2.257 40.531 ( 0.938 1.336 -1.848) 2.466 40.713 ( -0.133 -0.967 -0.120) 0.983 41.344 ( -0.372 -1.347 1.850) 2.318 41.528 ( 0.859 -0.533 -0.085) 1.014 41.755 ( -0.194 -0.548 -0.863) 1.041 46.872 ( 4.423 -5.308 4.864) 8.450 47.389 ( -1.976 -6.437 -3.465) 7.572 49.479 ( -7.094 12.469 -26.370) 30.019 87.551 ( 0.200 -0.039 0.712) 0.740 87.564 ( 0.064 -0.138 0.466) 0.490 87.572 ( -0.044 0.153 0.306) 0.345======================= Grid point 302 (117/288) =======================q-point: (-0.29 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -12.618 9.975 14.982) 21.981 2.557 ( -13.604 2.745 7.203) 15.636 2.908 ( 9.834 2.905 12.914) 16.490 3.392 ( -0.586 -3.996 22.434) 22.795 4.243 ( -2.649 -0.059 -4.336) 5.081 4.581 ( -7.863 -0.467 -5.252) 9.467 5.156 ( -1.689 6.061 3.551) 7.225 5.310 ( 0.768 6.385 3.244) 7.203 5.534 ( -3.455 -0.862 6.182) 7.135 5.829 ( -1.719 3.245 11.912) 12.465 6.094 ( -4.097 -5.866 3.862) 8.131 6.477 ( 5.421 -4.222 -7.439) 10.127 6.629 ( 0.600 -0.618 1.149) 1.437 6.930 ( 1.799 -0.385 -0.142) 1.845 7.532 ( 10.027 -3.316 -7.381) 12.884 7.721 ( 1.892 5.119 -6.334) 8.361 7.996 ( -1.840 2.821 -11.021) 11.524 8.259 ( 1.401 -1.013 -2.258) 2.844 8.484 ( 0.579 0.053 -2.793) 2.853 8.694 ( -4.866 0.197 -2.025) 5.274 9.228 ( 0.128 9.320 4.335) 10.279 22.585 ( 0.957 0.920 3.000) 3.281 22.734 ( -1.399 -0.873 2.350) 2.871 22.827 ( 2.096 -1.217 2.999) 3.856 31.398 ( -1.616 0.334 -0.824) 1.845 31.526 ( 1.428 0.734 -2.209) 2.731 31.609 ( -0.084 -1.080 -1.817) 2.116 40.466 ( 0.015 2.170 -1.722) 2.770 40.512 ( 1.273 1.974 -1.827) 2.976 40.706 ( 0.060 -1.328 -0.268) 1.356 41.372 ( 0.195 -1.196 1.817) 2.184 41.527 ( 0.806 -0.851 -0.344) 1.221 41.728 ( -0.417 -0.709 -1.653) 1.846 46.976 ( 5.273 -5.981 5.527) 9.701 47.262 ( -2.034 -10.321 -5.044) 11.666 48.995 ( -12.548 17.579 -26.153) 33.919 87.563 ( 0.057 -0.107 0.479) 0.494 87.574 ( 0.355 -0.106 0.597) 0.702 87.582 ( 0.007 0.249 0.750) 0.791======================= Grid point 303 (118/288) =======================q-point: (-0.21 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( -12.428 10.743 7.514) 18.065 2.658 ( -9.110 -0.063 13.460) 16.253 3.238 ( 10.827 4.367 13.894) 18.147 3.775 ( -2.570 -2.285 20.529) 20.815 4.152 ( -1.334 1.121 -3.543) 3.949 4.458 ( -5.425 -1.546 -2.331) 6.104 5.059 ( -4.646 15.205 -9.233) 18.386 5.466 ( -0.117 0.295 4.532) 4.543 5.616 ( -4.007 -2.039 7.121) 8.421 5.888 ( -4.257 -2.988 0.293) 5.209 6.209 ( 0.941 1.384 5.443) 5.694 6.397 ( -1.199 -5.183 1.278) 5.471 6.630 ( 3.996 2.007 -2.798) 5.275 6.990 ( 5.638 -2.310 3.903) 7.236 7.425 ( 9.318 -1.897 -10.853) 14.430 7.631 ( -0.275 2.723 -6.481) 7.035 7.849 ( 1.118 0.504 -5.355) 5.493 8.232 ( 1.542 -2.786 -1.122) 3.376 8.458 ( 0.511 -1.412 -0.254) 1.523 8.634 ( -5.150 0.860 -0.976) 5.312 9.322 ( -2.796 9.152 3.400) 10.156 22.652 ( 0.913 1.012 3.314) 3.583 22.761 ( -1.513 -1.336 2.329) 3.081 22.879 ( 2.345 -0.659 1.480) 2.851 31.375 ( -1.476 0.470 -0.680) 1.692 31.496 ( 1.251 0.673 -2.426) 2.811 31.573 ( -0.080 -1.072 -1.719) 2.028 40.444 ( 0.325 2.017 -1.830) 2.742 40.500 ( 1.642 2.706 -1.656) 3.573 40.691 ( -0.227 -2.050 -0.673) 2.170 41.399 ( 0.609 -0.919 1.435) 1.810 41.521 ( 0.687 -0.714 -0.517) 1.118 41.686 ( -0.822 -0.827 -2.149) 2.445 47.060 ( 2.401 -9.431 0.083) 9.732 47.151 ( 1.673 -6.686 1.069) 6.974 48.554 ( -14.667 18.211 -20.588) 31.155 87.569 ( 0.001 -0.091 0.312) 0.325 87.586 ( 0.177 0.066 0.582) 0.612 87.599 ( 0.355 0.133 0.914) 0.989======================= Grid point 304 (119/288) =======================q-point: (-0.14 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( -7.030 5.719 4.598) 10.163 2.868 ( -6.881 1.469 14.326) 15.961 3.555 ( 8.589 4.981 11.610) 15.277 3.930 ( -4.934 -2.470 1.630) 5.754 4.171 ( 0.437 1.060 3.015) 3.226 4.465 ( -0.312 -1.061 7.390) 7.472 4.956 ( -1.077 16.191 -6.353) 17.426 5.464 ( -4.475 0.865 -1.703) 4.866 5.676 ( -3.065 -1.926 2.516) 4.409 5.849 ( -5.144 -5.071 1.398) 7.358 6.213 ( 2.984 -1.368 -3.528) 4.819 6.462 ( -4.247 3.606 4.667) 7.268 6.646 ( 7.241 0.293 0.630) 7.275 7.068 ( 3.619 -7.554 1.831) 8.574 7.272 ( 7.575 -0.455 -11.758) 13.994 7.538 ( 0.487 2.783 -4.019) 4.913 7.802 ( -0.254 -1.764 -1.109) 2.099 8.211 ( -0.494 -2.207 -0.922) 2.442 8.467 ( 0.087 -2.101 1.634) 2.663 8.600 ( -2.905 0.399 0.030) 2.932 9.391 ( -2.416 7.417 3.027) 8.367 22.719 ( 0.744 0.984 3.061) 3.300 22.785 ( -1.252 -1.230 1.941) 2.617 22.904 ( 1.778 -0.426 -0.023) 1.829 31.359 ( -1.202 0.489 -0.324) 1.338 31.465 ( 1.083 0.466 -2.158) 2.459 31.541 ( -0.138 -0.830 -1.329) 1.573 40.423 ( 0.609 1.487 -1.548) 2.232 40.499 ( 2.091 3.350 -1.277) 4.151 40.663 ( -0.973 -2.813 -0.943) 3.122 41.422 ( 0.724 -0.636 0.997) 1.386 41.514 ( 0.586 -0.167 -0.601) 0.856 41.639 ( -1.171 -0.923 -1.926) 2.435 46.964 ( -0.774 -8.343 -3.658) 9.142 47.253 ( 5.176 -4.088 6.220) 9.066 48.220 ( -12.742 14.764 -13.726) 23.848 87.574 ( 0.043 -0.036 0.254) 0.260 87.597 ( -0.006 0.119 0.479) 0.494 87.617 ( 0.477 0.071 0.701) 0.851======================= Grid point 305 (120/288) =======================q-point: (-0.07 0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.469 ( -1.353 1.624 3.659) 4.226 3.047 ( -5.273 1.908 9.216) 10.788 3.770 ( 4.095 5.942 4.764) 8.646 3.909 ( 0.028 -4.839 1.430) 5.046 4.188 ( -0.762 -0.307 0.102) 0.828 4.627 ( 2.068 0.503 6.984) 7.301 4.962 ( 3.450 15.165 -0.727) 15.569 5.388 ( -5.420 -1.561 -1.925) 5.960 5.670 ( -0.645 -2.792 0.065) 2.866 5.833 ( -5.996 -3.368 2.928) 7.474 6.160 ( 1.996 -1.549 -3.508) 4.322 6.517 ( 0.335 8.922 1.234) 9.013 6.717 ( 4.195 -1.710 2.033) 4.966 7.030 ( 1.397 -9.103 -2.988) 9.682 7.118 ( 2.901 -4.168 -8.753) 10.120 7.535 ( 3.125 7.274 -0.564) 7.937 7.772 ( -2.986 -4.013 -0.027) 5.002 8.166 ( -6.057 0.571 -1.457) 6.255 8.492 ( 0.080 -1.657 1.575) 2.288 8.597 ( 0.434 -0.786 0.567) 1.062 9.461 ( 0.763 4.103 3.041) 5.164 22.774 ( 0.428 0.616 2.115) 2.244 22.803 ( -0.645 -0.606 1.271) 1.549 22.901 ( 0.845 -0.363 -0.988) 1.350 31.352 ( -0.767 0.351 0.179) 0.863 31.441 ( 0.898 0.245 -1.442) 1.717 31.518 ( -0.266 -0.491 -0.772) 0.953 40.411 ( 0.885 0.761 -0.837) 1.437 40.509 ( 2.295 3.781 -0.781) 4.491 40.626 ( -1.814 -3.320 -0.733) 3.853 41.438 ( 0.599 -0.473 0.481) 0.902 41.508 ( 0.503 0.532 -0.488) 0.880 41.599 ( -1.256 -0.982 -1.068) 1.919 46.882 ( -0.344 -5.088 -2.213) 5.559 47.359 ( 1.437 -1.306 3.078) 3.639 48.031 ( -5.559 7.971 -4.459) 10.692 87.578 ( 0.082 -0.021 0.150) 0.172 87.604 ( -0.127 0.145 0.275) 0.336 87.630 ( 0.421 0.021 0.326) 0.533======================= Grid point 313 (121/288) =======================q-point: (-0.50 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 0.000 -4.203 9.989) 10.837 2.274 ( 0.000 4.524 4.462) 6.354 2.614 ( -0.000 -4.087 13.561) 14.163 3.074 ( 0.000 -0.483 -5.485) 5.506 4.393 ( 0.000 -0.752 -1.205) 1.421 4.461 ( 0.000 -0.049 14.098) 14.098 4.914 ( 0.000 1.952 -3.655) 4.144 5.162 ( 0.000 9.798 8.534) 12.993 5.350 ( 0.000 -5.311 7.477) 9.171 5.563 ( -0.000 11.192 -6.507) 12.946 6.221 ( 0.000 -5.970 1.632) 6.189 6.580 ( 0.000 -6.521 2.099) 6.850 6.684 ( -0.000 -0.844 -6.091) 6.149 7.038 ( 0.000 -2.159 0.576) 2.234 7.511 ( 0.000 -0.108 -2.983) 2.985 7.925 ( 0.000 0.010 -7.695) 7.695 8.242 ( 0.000 3.747 -0.496) 3.780 8.478 ( 0.000 4.530 -8.166) 9.338 8.622 ( 0.000 -0.652 -3.508) 3.568 8.864 ( 0.000 4.426 6.236) 7.647 8.875 ( -0.000 0.056 -3.912) 3.913 22.490 ( 0.000 0.413 0.899) 0.989 22.676 ( 0.000 1.388 1.223) 1.850 22.713 ( 0.000 -2.401 2.583) 3.527 31.454 ( -0.000 -0.140 -0.504) 0.524 31.549 ( 0.000 0.512 -0.898) 1.034 31.667 ( 0.000 -0.441 -0.713) 0.838 40.492 ( 0.000 1.208 -0.566) 1.334 40.549 ( 0.000 1.208 -1.568) 1.979 40.723 ( 0.000 -1.137 -0.140) 1.146 41.329 ( 0.000 -1.312 1.233) 1.800 41.517 ( 0.000 0.189 0.238) 0.304 41.768 ( 0.000 -0.436 -0.253) 0.504 46.768 ( 0.000 -4.192 3.533) 5.482 47.460 ( 0.000 0.364 -0.468) 0.593 49.896 ( 0.000 4.626 -17.410) 18.014 87.539 ( 0.000 -0.059 0.411) 0.415 87.556 ( 0.000 0.069 0.318) 0.325 87.569 ( 0.000 -0.049 0.085) 0.098======================= Grid point 315 (122/288) =======================q-point: (-0.43 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( -4.962 4.340 15.883) 17.197 2.429 ( 4.165 5.634 8.877) 11.308 2.849 ( -15.189 -2.207 12.611) 19.865 3.029 ( 9.272 -2.625 5.507) 11.099 4.350 ( -0.943 -0.624 -2.891) 3.104 4.739 ( 1.429 3.379 5.934) 6.977 4.864 ( -1.279 -1.423 7.024) 7.280 5.378 ( -1.114 3.637 10.035) 10.731 5.466 ( -3.302 11.626 -3.879) 12.693 5.552 ( 2.913 1.525 11.906) 12.352 6.215 ( -2.478 -6.266 0.967) 6.807 6.497 ( -2.662 -3.337 -7.642) 8.753 6.621 ( 5.438 -5.513 -0.434) 7.756 7.017 ( -4.705 -1.241 -0.599) 4.902 7.453 ( 6.687 -1.546 -5.622) 8.873 7.793 ( 0.516 4.470 -7.561) 8.799 8.239 ( -3.517 3.426 -3.141) 5.829 8.298 ( 1.687 4.052 -11.619) 12.421 8.544 ( 0.194 0.123 -4.690) 4.696 8.800 ( -1.654 -0.581 -2.826) 3.325 9.040 ( 2.697 7.194 8.202) 11.238 22.521 ( 0.306 0.784 2.185) 2.341 22.711 ( -0.310 1.231 2.148) 2.495 22.755 ( 0.263 -2.976 3.158) 4.347 31.439 ( -0.776 0.167 -0.807) 1.132 31.532 ( 0.742 0.617 -1.564) 1.838 31.645 ( -0.034 -0.851 -1.492) 1.718 40.486 ( -0.141 2.081 -0.922) 2.281 40.521 ( 0.468 1.571 -2.196) 2.740 40.715 ( -0.091 -1.188 -0.187) 1.206 41.348 ( -0.165 -1.373 1.563) 2.087 41.520 ( 0.327 -0.551 0.031) 0.642 41.756 ( -0.058 -0.669 -0.825) 1.064 46.831 ( 1.589 -5.153 4.920) 7.300 47.407 ( -0.717 -6.360 -3.623) 7.355 49.542 ( -2.253 12.497 -24.649) 27.728 87.549 ( 0.070 -0.053 0.702) 0.707 87.563 ( 0.019 -0.156 0.411) 0.440 87.572 ( -0.017 0.176 0.310) 0.357======================= Grid point 316 (123/288) =======================q-point: (-0.36 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.334 ( -9.166 9.169 15.756) 20.404 2.644 ( 2.190 6.631 6.732) 9.700 2.864 ( -4.121 -0.519 6.746) 7.922 3.379 ( 1.938 -3.841 24.313) 24.691 4.276 ( -2.081 -0.062 -4.079) 4.579 4.641 ( -1.613 2.662 -8.888) 9.417 5.159 ( 0.695 1.735 14.144) 14.267 5.342 ( -4.142 11.218 -5.660) 13.230 5.563 ( -0.728 -1.166 8.126) 8.242 5.848 ( -0.892 4.113 14.629) 15.222 6.166 ( -6.025 -5.424 0.804) 8.147 6.361 ( 7.849 -3.892 -7.040) 11.239 6.647 ( 0.291 -4.131 2.846) 5.025 6.950 ( -4.638 0.078 -2.431) 5.237 7.388 ( 10.191 -2.784 -7.461) 12.934 7.703 ( 0.959 6.274 -5.670) 8.511 8.018 ( -1.313 3.533 -14.354) 14.840 8.245 ( 0.691 -1.962 -1.558) 2.599 8.477 ( 0.416 0.419 -2.967) 3.025 8.744 ( -2.510 -0.176 -1.886) 3.145 9.221 ( 0.601 9.237 6.859) 11.521 22.575 ( 0.517 0.970 3.085) 3.275 22.750 ( -0.973 0.221 2.293) 2.501 22.805 ( 1.184 -2.233 2.954) 3.887 31.418 ( -1.257 0.438 -0.914) 1.615 31.508 ( 1.155 0.699 -2.105) 2.500 31.610 ( -0.042 -1.146 -1.829) 2.159 40.469 ( -0.486 2.482 -1.761) 3.082 40.496 ( 1.191 2.247 -2.084) 3.287 40.706 ( -0.085 -1.522 -0.152) 1.532 41.370 ( 0.029 -1.198 1.560) 1.967 41.518 ( 0.471 -0.955 -0.176) 1.079 41.732 ( -0.168 -0.922 -1.510) 1.777 46.920 ( 2.943 -5.767 5.690) 8.620 47.284 ( -1.157 -10.456 -5.353) 11.803 49.121 ( -6.124 17.735 -25.523) 31.677 87.562 ( 0.023 -0.080 0.684) 0.690 87.570 ( 0.222 -0.187 0.413) 0.505 87.582 ( -0.033 0.307 0.680) 0.747======================= Grid point 317 (124/288) =======================q-point: (-0.29 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.510 ( -11.599 9.673 5.811) 16.182 2.749 ( -3.860 2.008 9.556) 10.500 3.110 ( 7.686 3.988 14.701) 17.062 3.804 ( -1.634 -2.028 23.219) 23.365 4.181 ( -2.913 1.124 -4.642) 5.594 4.492 ( 0.104 1.565 -7.423) 7.587 5.127 ( -4.646 15.772 -10.919) 19.737 5.466 ( -0.752 -0.144 9.063) 9.095 5.673 ( -3.515 -2.358 6.889) 8.085 5.931 ( -1.472 -0.176 -2.233) 2.680 6.205 ( -0.319 -1.114 1.022) 1.545 6.364 ( 3.493 -4.373 8.192) 9.922 6.652 ( -4.899 -0.918 -0.970) 5.078 6.925 ( 3.741 -0.173 1.621) 4.080 7.292 ( 9.818 -2.795 -9.838) 14.177 7.637 ( -0.422 4.223 -5.291) 6.783 7.822 ( 2.399 1.720 -8.010) 8.537 8.213 ( 1.037 -5.138 -0.921) 5.322 8.451 ( 0.503 -0.825 -0.244) 0.997 8.695 ( -3.587 0.298 -1.335) 3.839 9.353 ( -1.783 9.792 4.279) 10.834 22.642 ( 0.617 1.055 3.443) 3.654 22.780 ( -1.287 -0.662 2.077) 2.531 22.852 ( 1.636 -1.280 1.949) 2.848 31.395 ( -1.431 0.616 -0.813) 1.757 31.479 ( 1.265 0.689 -2.345) 2.752 31.573 ( -0.033 -1.222 -1.701) 2.095 40.442 ( -0.155 2.449 -1.993) 3.161 40.479 ( 1.452 2.985 -1.961) 3.855 40.695 ( -0.278 -2.109 -0.290) 2.147 41.393 ( 0.300 -0.874 1.359) 1.643 41.513 ( 0.491 -0.906 -0.350) 1.088 41.694 ( -0.418 -1.140 -1.953) 2.299 47.018 ( 3.159 -6.870 4.713) 8.910 47.146 ( -0.345 -9.792 -3.716) 10.479 48.716 ( -9.159 18.805 -21.954) 30.323 87.569 ( -0.095 -0.090 0.326) 0.351 87.582 ( 0.396 -0.051 0.663) 0.774 87.597 ( 0.044 0.297 0.821) 0.875======================= Grid point 318 (125/288) =======================q-point: (-0.21 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( -8.115 5.245 1.059) 9.720 2.941 ( -3.919 2.502 11.899) 12.775 3.441 ( 7.918 5.038 13.754) 16.650 4.011 ( -6.940 0.024 -0.268) 6.946 4.172 ( -0.545 1.162 5.867) 6.005 4.446 ( 3.255 0.717 2.924) 4.434 4.977 ( -1.800 17.103 -9.758) 19.773 5.512 ( -3.646 1.216 -1.534) 4.138 5.731 ( -3.867 -2.462 3.089) 5.528 5.910 ( -2.230 -2.657 2.327) 4.177 6.152 ( 3.826 -3.100 -4.735) 6.832 6.541 ( -6.897 0.244 5.153) 8.612 6.582 ( 2.285 0.948 1.472) 2.879 7.019 ( 4.090 -3.676 4.180) 6.908 7.161 ( 8.337 -1.439 -10.129) 13.198 7.542 ( -1.160 1.407 -4.771) 5.108 7.777 ( 3.830 0.492 -1.468) 4.131 8.191 ( 2.260 -6.796 -0.124) 7.163 8.464 ( 0.228 -1.759 1.837) 2.553 8.651 ( -3.861 0.529 -0.922) 4.005 9.429 ( -2.881 9.010 2.089) 9.688 22.710 ( 0.593 1.045 3.228) 3.444 22.801 ( -1.130 -0.860 1.520) 2.080 22.882 ( 1.365 -0.807 0.730) 1.746 31.376 ( -1.315 0.627 -0.557) 1.559 31.450 ( 1.171 0.583 -2.077) 2.455 31.542 ( -0.049 -1.063 -1.258) 1.648 40.418 ( 0.127 2.157 -1.708) 2.754 40.471 ( 1.894 3.481 -1.557) 4.257 40.675 ( -0.790 -2.751 -0.457) 2.899 41.415 ( 0.398 -0.521 1.113) 1.291 41.506 ( 0.497 -0.415 -0.497) 0.816 41.652 ( -0.731 -1.328 -1.796) 2.351 46.981 ( -1.656 -8.796 -2.946) 9.423 47.179 ( 5.528 -5.205 5.907) 9.620 48.375 ( -9.841 16.262 -16.875) 25.418 87.574 ( -0.047 -0.010 0.248) 0.252 87.595 ( 0.270 -0.000 0.520) 0.586 87.613 ( 0.171 0.270 0.724) 0.792======================= Grid point 319 (126/288) =======================q-point: (-0.14 0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( -3.776 2.389 0.876) 4.553 3.099 ( -2.262 1.253 6.876) 7.346 3.708 ( 4.911 5.773 7.849) 10.912 3.933 ( -3.465 -0.863 -1.794) 3.996 4.201 ( -0.846 -0.311 -0.265) 0.939 4.598 ( 1.973 1.969 7.170) 7.693 4.916 ( 3.380 16.523 -4.763) 17.525 5.435 ( -2.082 1.425 -4.035) 4.759 5.717 ( -5.045 -5.056 0.578) 7.166 5.919 ( -6.326 -3.779 2.899) 7.919 6.101 ( 5.717 -1.347 -3.518) 6.847 6.511 ( 1.365 6.522 -1.811) 6.905 6.696 ( -1.593 -1.291 5.323) 5.704 7.012 ( 1.702 -4.112 -4.142) 6.080 7.086 ( 1.785 -5.809 -1.791) 6.335 7.498 ( 1.870 4.285 -1.407) 4.883 7.786 ( 1.118 -1.587 0.205) 1.952 8.185 ( 2.313 -6.336 0.407) 6.757 8.494 ( -0.285 -1.653 1.882) 2.521 8.616 ( -2.862 0.342 -0.615) 2.947 9.468 ( -1.517 6.854 0.717) 7.056 22.768 ( 0.400 0.809 2.389) 2.554 22.812 ( -0.603 -0.460 0.613) 0.975 22.891 ( 0.654 -0.683 -0.133) 0.955 31.363 ( -0.842 0.396 -0.258) 0.966 31.429 ( 0.861 0.520 -1.237) 1.594 31.521 ( -0.128 -0.782 -0.658) 1.030 40.403 ( 0.345 1.598 -0.993) 1.913 40.478 ( 2.253 3.816 -0.857) 4.513 40.648 ( -1.445 -3.229 -0.373) 3.558 41.433 ( 0.239 -0.295 0.768) 0.856 41.500 ( 0.569 0.346 -0.450) 0.804 41.614 ( -0.935 -1.499 -1.074) 2.068 46.898 ( -1.981 -5.969 -1.535) 6.474 47.308 ( 5.527 -4.006 5.657) 8.865 48.121 ( -7.143 11.405 -10.776) 17.240 87.577 ( -0.008 0.031 0.149) 0.152 87.604 ( 0.143 0.037 0.285) 0.320 87.625 ( 0.193 0.237 0.419) 0.519======================= Grid point 320 (127/288) =======================q-point: (-0.07 -0.50 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.507 ( 0.122 0.211 0.000) 0.244 3.154 ( -0.134 -0.232 0.000) 0.268 3.812 ( 2.975 5.153 0.000) 5.950 3.908 ( -1.463 -2.533 0.000) 2.925 4.193 ( -0.217 -0.375 0.000) 0.433 4.680 ( 1.031 1.786 0.000) 2.063 4.976 ( 8.045 13.935 0.000) 16.091 5.383 ( -1.376 -2.383 0.000) 2.751 5.666 ( -3.049 -5.281 0.000) 6.098 5.901 ( -2.386 -4.133 0.000) 4.773 6.090 ( 0.495 0.857 0.000) 0.990 6.551 ( 4.532 7.849 0.000) 9.064 6.728 ( -0.266 -0.461 0.000) 0.533 6.967 ( -0.160 -0.277 -0.000) 0.320 7.017 ( -5.903 -10.225 0.000) 11.807 7.535 ( 4.215 7.301 0.000) 8.431 7.775 ( -2.186 -3.785 0.000) 4.371 8.176 ( -1.618 -2.803 0.000) 3.236 8.503 ( -0.627 -1.085 0.000) 1.253 8.598 ( -0.293 -0.507 0.000) 0.586 9.494 ( 1.956 3.387 0.000) 3.911 22.795 ( 0.006 0.010 0.000) 0.011 22.815 ( 0.183 0.317 0.000) 0.366 22.887 ( -0.210 -0.364 0.000) 0.420 31.359 ( -0.027 -0.047 0.000) 0.054 31.424 ( 0.324 0.561 0.000) 0.647 31.511 ( -0.270 -0.468 0.000) 0.541 40.401 ( 0.542 0.939 0.000) 1.084 40.501 ( 2.293 3.972 0.000) 4.586 40.619 ( -1.987 -3.441 0.000) 3.973 41.440 ( -0.079 -0.138 0.000) 0.159 41.503 ( 0.465 0.805 0.000) 0.929 41.592 ( -0.811 -1.404 0.000) 1.621 46.853 ( -2.050 -3.551 0.000) 4.100 47.380 ( -0.164 -0.283 0.000) 0.327 48.026 ( 2.054 3.558 0.000) 4.108 87.579 ( 0.014 0.024 0.000) 0.027 87.607 ( 0.036 0.063 0.000) 0.073 87.631 ( 0.111 0.192 0.000) 0.222======================= Grid point 330 (128/288) =======================q-point: (-0.43 0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( -0.000 8.805 17.028) 19.169 2.602 ( -0.000 7.413 8.170) 11.032 2.912 ( 0.000 -1.345 0.188) 1.358 3.361 ( 0.000 -3.646 26.888) 27.134 4.292 ( -0.000 -0.124 -3.738) 3.740 4.648 ( -0.000 4.159 -10.052) 10.878 5.153 ( 0.000 1.624 15.628) 15.712 5.378 ( -0.000 12.115 -7.638) 14.322 5.564 ( 0.000 -2.171 9.467) 9.712 5.853 ( 0.000 4.840 15.950) 16.668 6.223 ( 0.000 -6.178 1.251) 6.303 6.298 ( 0.000 -3.621 -9.385) 10.059 6.635 ( 0.000 -4.125 4.210) 5.894 7.001 ( -0.000 -0.989 -3.360) 3.503 7.303 ( -0.000 -2.096 -7.329) 7.623 7.696 ( -0.000 6.670 -5.633) 8.731 8.028 ( -0.000 3.695 -15.789) 16.215 8.240 ( 0.000 -2.203 -1.148) 2.484 8.474 ( -0.000 0.529 -2.991) 3.038 8.761 ( -0.000 -0.305 -1.851) 1.876 9.216 ( -0.000 9.133 7.910) 12.082 22.571 ( -0.000 0.991 3.114) 3.268 22.758 ( -0.000 1.235 2.226) 2.546 22.796 ( 0.000 -3.209 2.971) 4.373 31.427 ( -0.000 0.492 -0.936) 1.058 31.499 ( -0.000 0.667 -2.076) 2.180 31.611 ( 0.000 -1.166 -1.835) 2.174 40.476 ( -0.000 2.876 -1.449) 3.220 40.484 ( -0.000 2.048 -2.489) 3.223 40.707 ( 0.000 -1.577 -0.128) 1.582 41.370 ( 0.000 -1.196 1.461) 1.888 41.515 ( 0.000 -0.992 -0.110) 0.998 41.733 ( 0.000 -1.000 -1.464) 1.773 46.900 ( 0.000 -5.679 5.746) 8.079 47.292 ( 0.000 -10.499 -5.463) 11.836 49.162 ( -0.000 17.774 -25.233) 30.865 87.562 ( 0.000 -0.060 0.825) 0.827 87.568 ( 0.000 -0.217 0.264) 0.342 87.582 ( -0.000 0.319 0.670) 0.742======================= Grid point 332 (129/288) =======================q-point: (-0.36 0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.649 ( -8.495 7.377 3.520) 11.789 2.752 ( 3.277 6.213 10.093) 12.296 3.041 ( 2.383 2.083 13.426) 13.794 3.818 ( -0.475 -2.083 25.054) 25.145 4.221 ( -2.200 0.999 -3.546) 4.291 4.474 ( 1.486 4.341 -11.131) 12.040 5.170 ( -1.560 16.382 -12.138) 20.449 5.485 ( -1.352 -0.968 12.208) 12.321 5.702 ( -0.891 -2.565 7.241) 7.733 5.932 ( 0.558 1.970 -7.858) 8.120 6.210 ( -0.236 -6.405 -0.188) 6.412 6.341 ( 0.231 -0.815 14.266) 14.291 6.709 ( -2.504 -1.458 4.392) 5.262 6.896 ( 0.606 -0.342 -5.935) 5.975 7.182 ( 5.209 -2.763 -7.619) 9.634 7.640 ( -0.050 5.582 -3.933) 6.829 7.797 ( 1.012 1.435 -10.648) 10.792 8.205 ( 0.277 -5.991 -0.962) 6.074 8.446 ( 0.186 -0.445 -0.212) 0.527 8.728 ( -1.223 -0.118 -1.411) 1.871 9.369 ( -0.587 9.953 5.084) 11.192 22.636 ( 0.217 1.083 3.509) 3.679 22.794 ( -0.673 0.619 1.715) 1.943 22.835 ( 0.760 -2.509 2.378) 3.540 31.411 ( -0.786 0.762 -0.834) 1.376 31.465 ( 0.725 0.623 -2.344) 2.532 31.574 ( -0.009 -1.297 -1.698) 2.136 40.447 ( -0.512 2.618 -2.181) 3.446 40.462 ( 0.958 3.165 -2.002) 3.866 40.698 ( -0.114 -2.105 -0.141) 2.113 41.391 ( 0.090 -0.837 1.300) 1.549 41.508 ( 0.180 -1.014 -0.254) 1.060 41.698 ( -0.127 -1.314 -1.838) 2.263 46.986 ( 1.250 -6.045 5.927) 8.558 47.151 ( -0.247 -10.810 -5.057) 11.937 48.799 ( -3.098 19.050 -22.432) 29.592 87.571 ( -0.142 -0.093 0.287) 0.334 87.577 ( 0.266 -0.074 0.735) 0.785 87.597 ( -0.006 0.348 0.784) 0.858======================= Grid point 333 (130/288) =======================q-point: (-0.29 0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( -6.058 3.746 -1.644) 7.309 2.975 ( -1.239 4.063 10.191) 11.041 3.350 ( 5.199 5.247 15.154) 16.858 4.103 ( -5.426 0.697 -0.210) 5.474 4.194 ( -3.600 2.316 6.334) 7.645 4.379 ( 6.444 2.598 1.300) 7.068 4.997 ( -1.042 17.572 -12.705) 21.709 5.579 ( -6.390 0.148 -0.616) 6.422 5.753 ( 1.577 -2.669 0.560) 3.150 5.887 ( 3.744 1.232 2.844) 4.860 6.151 ( -2.571 -6.803 -2.262) 7.616 6.564 ( 0.413 -1.141 3.766) 3.957 6.652 ( -8.981 1.012 1.939) 9.244 6.936 ( 8.591 0.357 4.103) 9.527 7.074 ( 3.849 -3.072 -6.603) 8.238 7.569 ( -2.754 1.227 -4.333) 5.279 7.709 ( 5.522 0.684 -2.595) 6.139 8.167 ( 1.168 -8.607 -0.555) 8.704 8.462 ( 0.085 -1.305 2.100) 2.474 8.693 ( -2.148 0.010 -1.193) 2.457 9.462 ( -1.825 9.682 1.978) 10.049 22.703 ( 0.325 1.085 3.340) 3.526 22.814 ( -0.777 0.038 0.974) 1.247 22.867 ( 0.848 -1.684 1.436) 2.370 31.394 ( -1.282 0.788 -0.716) 1.667 31.434 ( 1.189 0.589 -2.010) 2.408 31.543 ( -0.009 -1.216 -1.221) 1.723 40.419 ( -0.314 2.669 -1.796) 3.232 40.449 ( 1.371 3.449 -1.726) 4.094 40.683 ( -0.426 -2.653 -0.221) 2.696 41.411 ( 0.171 -0.416 1.191) 1.273 41.501 ( 0.292 -0.599 -0.441) 0.800 41.659 ( -0.352 -1.603 -1.673) 2.343 47.009 ( -2.411 -8.629 -1.856) 9.150 47.109 ( 4.618 -6.093 4.776) 9.014 48.478 ( -5.272 16.970 -18.470) 25.630 87.575 ( -0.095 0.016 0.230) 0.249 87.591 ( 0.293 -0.073 0.579) 0.653 87.612 ( 0.015 0.388 0.716) 0.815======================= Grid point 334 (131/288) =======================q-point: (-0.21 0.57 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.562 ( -4.287 2.497 -1.493) 5.180 3.111 ( 0.124 0.444 4.471) 4.495 3.645 ( 4.106 6.819 10.592) 13.249 3.998 ( -5.870 1.884 -4.017) 7.358 4.201 ( 1.112 0.769 -1.709) 2.179 4.578 ( 0.930 2.476 9.534) 9.894 4.873 ( 2.845 17.290 -8.862) 19.636 5.465 ( -2.873 1.087 -5.786) 6.551 5.764 ( -0.669 -3.769 0.436) 3.853 5.975 ( 0.009 -1.264 2.630) 2.918 6.062 ( -3.006 -4.199 -1.099) 5.280 6.476 ( 3.597 1.914 -6.020) 7.269 6.753 ( -6.206 0.338 6.769) 9.190 6.983 ( 2.487 -1.433 -3.522) 4.544 7.059 ( 2.557 -2.926 3.968) 5.554 7.495 ( -1.720 0.524 -2.045) 2.723 7.739 ( 5.646 -0.388 0.681) 5.700 8.139 ( 3.363 -10.279 0.071) 10.816 8.499 ( -0.445 -1.337 2.359) 2.748 8.656 ( -2.660 0.210 -1.113) 2.891 9.494 ( -2.077 8.466 -0.670) 8.743 22.763 ( 0.274 0.943 2.608) 2.787 22.819 ( -0.424 0.048 -0.052) 0.430 22.884 ( 0.403 -1.293 0.642) 1.499 31.375 ( -0.805 0.366 -0.853) 1.229 31.418 ( 0.777 0.797 -0.816) 1.380 31.522 ( -0.041 -1.005 -0.576) 1.159 40.401 ( -0.189 2.339 -1.091) 2.588 40.450 ( 1.859 3.703 -0.915) 4.243 40.664 ( -0.912 -3.098 -0.159) 3.233 41.431 ( 0.014 -0.101 1.056) 1.061 41.493 ( 0.487 0.121 -0.516) 0.720 41.625 ( -0.582 -1.877 -1.014) 2.211 46.933 ( -3.109 -6.377 -0.660) 7.125 47.225 ( 6.292 -5.362 5.905) 10.159 48.209 ( -5.451 13.077 -14.192) 20.053 87.578 ( -0.074 0.082 0.142) 0.180 87.600 ( 0.285 -0.066 0.311) 0.427 87.624 ( 0.010 0.415 0.476) 0.632======================= Grid point 335 (132/288) =======================q-point: (-0.14 -0.43 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -1.635 1.458 -2.250) 3.141 3.137 ( 2.333 -2.109 -2.184) 3.829 3.777 ( 2.266 7.703 -1.173) 8.115 3.950 ( -4.497 -1.043 1.579) 4.879 4.189 ( 0.915 -0.311 -0.465) 1.073 4.673 ( -0.036 4.361 0.090) 4.362 4.871 ( 7.311 13.699 -2.848) 15.787 5.389 ( -0.113 -0.133 -1.722) 1.731 5.720 ( -3.306 -5.202 -1.283) 6.296 5.917 ( -1.370 -7.152 -2.956) 7.859 6.100 ( -1.575 1.934 4.071) 4.774 6.461 ( 8.029 5.168 -2.169) 9.792 6.772 ( -5.760 -0.412 0.397) 5.789 6.978 ( -1.318 0.408 3.051) 3.348 7.094 ( -4.339 -5.681 2.869) 7.702 7.486 ( 2.195 3.836 -0.252) 4.427 7.779 ( 1.772 -1.810 0.871) 2.678 8.139 ( 5.561 -9.455 0.894) 11.005 8.516 ( -1.225 -1.159 0.532) 1.769 8.621 ( -2.407 0.468 -0.951) 2.630 9.485 ( -0.331 6.163 -2.427) 6.632 22.796 ( -0.150 0.213 0.009) 0.261 22.812 ( 0.248 0.486 -0.213) 0.585 22.889 ( -0.178 -0.705 0.578) 0.929 31.359 ( 0.053 -0.126 -0.658) 0.672 31.421 ( 0.109 0.946 0.424) 1.043 31.514 ( -0.133 -0.752 0.124) 0.774 40.398 ( -0.014 1.805 -0.127) 1.810 40.471 ( 2.121 3.901 0.074) 4.441 40.643 ( -1.451 -3.338 0.149) 3.643 41.444 ( -0.452 0.037 0.363) 0.581 41.494 ( 0.746 0.768 0.080) 1.074 41.602 ( -0.651 -1.980 -0.128) 2.089 46.894 ( -3.879 -4.408 1.101) 5.974 47.342 ( 5.315 -3.765 3.888) 7.585 48.024 ( -1.348 7.604 -7.615) 10.845 87.579 ( -0.061 0.090 0.005) 0.109 87.605 ( 0.249 -0.054 0.006) 0.255 87.631 ( -0.065 0.412 0.101) 0.430======================= Grid point 346 (133/288) =======================q-point: (-0.36 0.64 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( -0.000 2.702 -2.896) 3.961 2.982 ( -0.000 5.099 9.703) 10.961 3.313 ( -0.000 5.313 15.766) 16.637 4.135 ( 0.000 0.074 3.633) 3.634 4.276 ( -0.000 4.917 -11.839) 12.820 4.283 ( 0.000 2.022 15.484) 15.616 5.004 ( -0.000 17.802 -13.798) 22.524 5.664 ( 0.000 -0.939 6.953) 7.016 5.696 ( -0.000 -1.274 -9.765) 9.847 5.861 ( 0.000 0.703 4.862) 4.912 6.175 ( 0.000 -7.347 -0.649) 7.375 6.562 ( 0.000 -0.965 2.802) 2.963 6.759 ( -0.000 0.813 -0.760) 1.113 6.827 ( 0.000 0.693 5.680) 5.722 7.051 ( 0.000 -2.747 -4.079) 4.917 7.602 ( -0.000 2.932 -2.582) 3.907 7.655 ( -0.000 -1.245 -4.638) 4.802 8.159 ( 0.000 -8.925 -0.799) 8.961 8.462 ( 0.000 -1.133 2.215) 2.488 8.707 ( -0.000 -0.225 -1.260) 1.280 9.475 ( -0.000 9.848 2.037) 10.056 22.701 ( -0.000 1.100 3.379) 3.553 22.820 ( -0.000 0.782 0.595) 0.983 22.861 ( 0.000 -2.417 1.860) 3.050 31.406 ( -0.000 1.045 -0.451) 1.138 31.422 ( -0.000 0.391 -2.305) 2.338 31.543 ( 0.000 -1.269 -1.209) 1.753 40.424 ( -0.000 2.892 -1.813) 3.414 40.437 ( -0.000 3.390 -1.796) 3.836 40.686 ( 0.000 -2.612 -0.150) 2.616 41.410 ( 0.000 -0.373 1.221) 1.277 41.499 ( 0.000 -0.668 -0.426) 0.792 41.661 ( 0.000 -1.701 -1.623) 2.351 47.038 ( 0.000 -8.830 -3.016) 9.331 47.065 ( 0.000 -6.101 5.883) 8.475 48.514 ( -0.000 17.180 -18.954) 25.582 87.576 ( 0.000 0.032 0.207) 0.209 87.588 ( 0.000 -0.094 0.615) 0.622 87.612 ( -0.000 0.419 0.713) 0.827======================= Grid point 348 (134/288) =======================q-point: (-0.29 0.64 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( -1.980 2.328 -2.958) 4.253 3.105 ( 0.487 -0.229 3.063) 3.110 3.605 ( 1.609 8.061 12.203) 14.714 4.079 ( -5.497 3.122 -6.405) 8.999 4.167 ( 3.568 2.107 -1.877) 4.549 4.572 ( 0.086 1.923 12.393) 12.542 4.844 ( 1.220 18.089 -11.934) 21.706 5.508 ( -2.581 -0.724 -7.949) 8.389 5.738 ( 2.713 -1.335 0.562) 3.076 5.964 ( 0.344 0.709 4.821) 4.885 6.131 ( -4.204 -7.075 0.449) 8.242 6.426 ( 2.855 -0.331 -10.206) 10.603 6.848 ( -7.344 1.218 6.815) 10.092 6.937 ( 4.947 0.398 2.360) 5.495 7.024 ( 1.745 -1.164 2.243) 3.071 7.546 ( -5.453 -0.961 -1.177) 5.661 7.646 ( 7.288 -1.582 0.383) 7.468 8.108 ( 1.105 -11.093 -0.806) 11.177 8.504 ( -0.217 -1.117 2.717) 2.945 8.681 ( -0.922 -0.205 -1.280) 1.591 9.516 ( -0.910 9.120 -1.206) 9.244 22.761 ( 0.096 1.015 2.731) 2.915 22.823 ( -0.152 0.559 -0.513) 0.773 22.880 ( 0.135 -1.850 1.146) 2.181 31.384 ( -0.462 0.180 -1.657) 1.729 31.409 ( 0.444 1.122 -0.104) 1.211 31.522 ( -0.006 -1.130 -0.534) 1.249 40.407 ( -0.481 2.926 -1.144) 3.178 40.429 ( 1.055 3.448 -0.952) 3.729 40.672 ( -0.311 -3.013 -0.051) 3.030 41.432 ( -0.030 0.046 1.271) 1.272 41.488 ( 0.201 -0.046 -0.617) 0.651 41.630 ( -0.199 -2.081 -0.962) 2.301 46.974 ( -2.282 -6.409 0.044) 6.803 47.153 ( 3.507 -6.035 5.438) 8.848 48.261 ( -1.992 13.739 -15.646) 20.917 87.579 ( -0.052 0.124 0.129) 0.186 87.597 ( 0.144 -0.111 0.343) 0.389 87.624 ( -0.015 0.490 0.498) 0.699======================= Grid point 349 (135/288) =======================q-point: (-0.21 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( -1.695 2.522 -4.189) 5.175 3.103 ( 2.182 -3.661 -3.217) 5.340 3.752 ( 1.286 9.780 -1.760) 10.020 4.017 ( -4.834 0.143 2.783) 5.580 4.167 ( 2.169 -0.129 -0.905) 2.353 4.684 ( -1.623 7.006 -1.033) 7.265 4.782 ( 5.690 12.336 -4.052) 14.177 5.396 ( -0.869 -1.097 -2.883) 3.205 5.728 ( 1.503 -2.055 -2.091) 3.294 5.966 ( -5.164 -6.615 -2.094) 8.650 6.123 ( -1.805 -1.769 3.903) 4.650 6.349 ( 8.053 3.988 -3.491) 9.641 6.872 ( -8.517 0.555 1.516) 8.669 6.995 ( -1.004 0.929 4.877) 5.065 7.105 ( 3.012 0.079 3.324) 4.487 7.502 ( -4.902 -1.203 0.737) 5.101 7.720 ( 6.918 -1.471 2.342) 7.450 8.067 ( 4.080 -12.361 -0.327) 13.021 8.533 ( -1.058 -0.986 1.191) 1.874 8.648 ( -1.336 0.046 -1.485) 1.998 9.495 ( -0.899 7.771 -3.937) 8.757 22.799 ( -0.264 0.409 0.293) 0.569 22.808 ( 0.303 0.593 -0.599) 0.896 22.891 ( -0.108 -0.980 0.942) 1.364 31.358 ( 0.058 -0.172 -1.104) 1.119 31.420 ( 0.007 1.205 0.711) 1.399 31.515 ( -0.046 -0.948 0.208) 0.972 40.401 ( -0.462 2.567 -0.273) 2.622 40.445 ( 1.584 3.656 0.157) 3.988 40.658 ( -0.769 -3.234 0.277) 3.335 41.451 ( -0.637 0.238 0.861) 1.097 41.483 ( 0.797 0.620 -0.163) 1.023 41.609 ( -0.365 -2.337 -0.158) 2.370 46.953 ( -4.469 -4.915 2.386) 7.059 47.257 ( 6.267 -5.522 4.919) 9.694 48.048 ( -1.668 9.664 -11.742) 15.298 87.580 ( -0.079 0.153 0.002) 0.172 87.601 ( 0.223 -0.117 0.030) 0.253 87.632 ( -0.077 0.531 0.158) 0.560======================= Grid point 350 (136/288) =======================q-point: (-0.14 -0.36 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 0.768 1.705 -6.884) 7.133 2.991 ( 3.713 -5.373 -9.893) 11.855 3.724 ( 3.029 7.827 -4.990) 9.764 3.988 ( -6.475 -1.682 -2.369) 7.097 4.181 ( 1.093 -0.228 0.594) 1.264 4.637 ( -1.042 3.161 -6.647) 7.434 4.821 ( 9.209 11.447 -1.425) 14.760 5.369 ( 1.221 -4.781 0.353) 4.947 5.688 ( -0.270 -1.276 -1.452) 1.952 5.863 ( -4.436 -6.598 -1.798) 8.152 6.171 ( 0.740 -3.299 2.426) 4.162 6.408 ( 7.720 7.458 0.342) 10.739 6.809 ( -9.399 2.173 -1.412) 9.750 7.116 ( -3.574 1.448 7.411) 8.354 7.172 ( -1.478 0.923 5.382) 5.657 7.500 ( -1.295 1.310 1.550) 2.408 7.777 ( 1.618 -2.599 1.122) 3.260 8.074 ( 8.424 -10.779 1.756) 13.792 8.517 ( -2.182 -0.874 -1.202) 2.640 8.615 ( -1.055 0.381 -1.391) 1.786 9.435 ( 0.874 5.431 -5.397) 7.706 22.771 ( 0.106 0.711 -2.361) 2.468 22.805 ( -0.084 -0.831 -0.981) 1.288 22.910 ( -0.531 0.568 1.388) 1.591 31.345 ( 0.456 -0.461 -0.444) 0.786 31.444 ( -0.192 1.146 1.495) 1.893 31.521 ( -0.149 -0.744 0.906) 1.181 40.411 ( -0.227 1.998 0.603) 2.100 40.482 ( 1.800 3.707 0.954) 4.230 40.648 ( -1.344 -3.060 0.884) 3.457 41.450 ( -1.023 0.477 -0.286) 1.164 41.501 ( 0.760 0.776 0.910) 1.417 41.603 ( -0.249 -2.265 0.772) 2.406 46.953 ( -6.073 -4.120 3.515) 8.137 47.344 ( 4.035 -3.235 1.459) 5.373 47.933 ( 4.738 3.635 -3.755) 7.054 87.579 ( -0.100 0.126 -0.142) 0.215 87.600 ( 0.251 -0.107 -0.256) 0.375 87.632 ( -0.199 0.530 -0.247) 0.618======================= Grid point 362 (137/288) =======================q-point: (-0.29 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.556 ( -0.000 2.988 -5.002) 5.826 3.087 ( 0.000 -4.321 -3.425) 5.514 3.744 ( -0.000 10.597 -1.872) 10.761 4.058 ( 0.000 0.950 3.704) 3.824 4.144 ( -0.000 -0.393 -1.560) 1.609 4.717 ( -0.000 2.147 2.298) 3.145 4.721 ( -0.000 17.630 -8.374) 19.518 5.404 ( 0.000 -2.232 -3.472) 4.128 5.712 ( -0.000 -0.453 -1.702) 1.761 6.010 ( 0.000 -3.534 -0.588) 3.583 6.144 ( 0.000 -8.870 1.953) 9.083 6.278 ( -0.000 6.635 -3.717) 7.606 6.966 ( -0.000 1.354 4.392) 4.596 6.995 ( -0.000 1.507 3.406) 3.725 7.054 ( -0.000 1.403 2.478) 2.848 7.590 ( 0.000 -0.433 2.194) 2.236 7.620 ( 0.000 -4.685 2.685) 5.400 8.040 ( 0.000 -12.497 -1.179) 12.552 8.541 ( 0.000 -0.896 1.542) 1.784 8.657 ( -0.000 -0.244 -1.745) 1.762 9.502 ( -0.000 8.263 -4.413) 9.368 22.802 ( -0.000 0.497 1.346) 1.435 22.805 ( -0.000 0.622 -1.682) 1.794 22.892 ( 0.000 -1.084 1.069) 1.522 31.357 ( -0.000 -0.186 -1.257) 1.270 31.420 ( -0.000 1.295 0.806) 1.526 31.515 ( 0.000 -1.020 0.238) 1.047 40.406 ( -0.000 3.013 -0.439) 3.044 40.432 ( -0.000 3.389 0.295) 3.402 40.663 ( 0.000 -3.191 0.328) 3.208 41.457 ( 0.000 0.389 1.464) 1.515 41.476 ( -0.000 0.481 -0.684) 0.836 41.612 ( 0.000 -2.458 -0.160) 2.463 46.991 ( 0.000 -5.006 3.228) 5.957 47.206 ( 0.000 -6.061 4.609) 7.615 48.060 ( -0.000 10.220 -12.918) 16.472 87.581 ( -0.000 0.184 -0.002) 0.184 87.600 ( 0.000 -0.141 0.044) 0.147 87.633 ( -0.000 0.566 0.176) 0.593======================= Grid point 363 (138/288) =======================q-point: (-0.21 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 0.142 3.333 -9.159) 9.747 2.955 ( 1.434 -6.641 -9.786) 11.913 3.695 ( 1.075 9.014 -5.811) 10.778 4.066 ( -4.255 -3.137 -3.362) 6.265 4.158 ( 1.992 1.408 2.230) 3.305 4.658 ( -2.131 3.363 -6.895) 7.962 4.721 ( 5.266 12.267 -2.335) 13.552 5.358 ( 0.352 -5.364 -0.671) 5.418 5.685 ( 0.333 -0.379 -1.118) 1.226 5.930 ( -4.012 -4.149 -2.749) 6.393 6.146 ( 2.185 -9.157 1.482) 9.530 6.330 ( 3.144 10.329 2.096) 10.999 6.953 ( -11.204 3.064 -0.390) 11.622 7.094 ( 7.691 3.446 1.872) 8.633 7.169 ( -0.309 2.815 9.793) 10.194 7.583 ( -9.498 -2.486 3.371) 10.380 7.714 ( 7.881 -2.365 3.296) 8.864 7.983 ( 3.678 -13.250 -0.134) 13.752 8.544 ( -1.335 -0.825 -0.472) 1.639 8.620 ( 0.094 -0.081 -2.138) 2.142 9.431 ( 0.019 6.842 -6.698) 9.575 22.770 ( 0.013 0.718 -2.494) 2.595 22.805 ( -0.011 -0.802 -0.826) 1.152 22.915 ( -0.200 0.581 1.639) 1.751 31.340 ( 0.159 -0.442 -0.569) 0.738 31.446 ( -0.074 1.278 1.502) 1.973 31.522 ( -0.043 -0.893 0.980) 1.327 40.415 ( -0.281 2.662 0.325) 2.697 40.463 ( 0.836 3.403 1.185) 3.699 40.661 ( -0.480 -2.942 0.993) 3.142 41.464 ( -0.878 0.736 -0.392) 1.211 41.489 ( 0.803 0.637 1.333) 1.681 41.605 ( -0.109 -2.622 0.634) 2.700 47.033 ( -4.621 -4.944 4.974) 8.399 47.274 ( 4.599 -5.541 3.667) 8.081 47.897 ( 1.029 6.389 -8.796) 10.920 87.580 ( -0.057 0.181 -0.141) 0.236 87.598 ( 0.118 -0.146 -0.238) 0.303 87.634 ( -0.079 0.600 -0.207) 0.639======================= Grid point 364 (139/288) =======================q-point: (-0.14 -0.29 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( 3.709 1.492 -13.382) 13.966 2.704 ( 2.804 -8.859 -16.659) 19.076 3.645 ( 1.721 10.132 -5.686) 11.745 3.940 ( -4.340 -4.042 -5.783) 8.283 4.179 ( 0.244 1.841 -1.193) 2.207 4.434 ( 0.632 -4.615 -15.995) 16.659 4.828 ( 6.546 9.595 3.835) 12.232 5.334 ( 2.042 -8.598 0.078) 8.837 5.677 ( -0.272 1.101 -0.142) 1.143 5.860 ( -5.159 -2.536 -0.539) 5.774 6.150 ( 4.436 -8.273 0.570) 9.405 6.412 ( 1.985 9.547 -1.030) 9.806 6.883 ( -10.772 6.088 0.157) 12.374 7.167 ( 3.919 4.645 -0.112) 6.078 7.393 ( -2.064 3.792 14.014) 14.664 7.577 ( -6.973 -1.220 3.597) 7.941 7.777 ( 1.462 -3.737 1.541) 4.299 8.012 ( 10.358 -11.256 3.424) 15.675 8.503 ( -2.814 -0.556 -1.748) 3.359 8.588 ( 0.673 0.197 -1.841) 1.970 9.332 ( 1.665 4.385 -7.157) 8.557 22.725 ( 0.155 0.950 -2.913) 3.068 22.772 ( -0.181 -1.559 -2.142) 2.656 22.945 ( -0.849 1.814 1.420) 2.456 31.335 ( 0.426 -0.645 0.010) 0.773 31.482 ( -0.138 1.172 2.101) 2.410 31.542 ( -0.156 -0.734 1.564) 1.734 40.435 ( -0.141 2.063 1.009) 2.301 40.505 ( 1.141 2.707 1.163) 3.159 40.671 ( -1.101 -1.733 1.896) 2.794 41.452 ( -1.138 0.944 -0.650) 1.615 41.520 ( 0.347 0.625 1.273) 1.460 41.615 ( 0.240 -2.473 1.594) 2.952 47.059 ( -7.583 -4.995 4.932) 10.334 47.320 ( 1.581 -2.609 -0.395) 3.076 47.859 ( 10.122 -0.560 0.579) 10.154 87.577 ( -0.112 0.130 -0.255) 0.307 87.592 ( 0.194 -0.123 -0.436) 0.493 87.629 ( -0.222 0.595 -0.580) 0.860======================= Grid point 377 (140/288) =======================q-point: (-0.21 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( -0.000 2.642 -15.293) 15.520 2.685 ( 0.000 -9.581 -16.509) 19.088 3.633 ( -0.000 10.419 -5.108) 11.604 3.972 ( 0.000 -4.071 -6.547) 7.710 4.177 ( -0.000 2.140 -0.526) 2.204 4.429 ( -0.000 -5.233 -17.455) 18.223 4.783 ( -0.000 10.560 4.251) 11.384 5.320 ( 0.000 -8.759 -0.168) 8.761 5.679 ( -0.000 0.850 0.099) 0.855 5.904 ( -0.000 -0.200 -0.836) 0.860 6.111 ( 0.000 -10.846 0.226) 10.848 6.398 ( -0.000 11.421 0.568) 11.435 7.012 ( -0.000 4.573 -1.251) 4.741 7.078 ( -0.000 6.983 0.627) 7.011 7.409 ( 0.000 3.456 14.412) 14.820 7.693 ( 0.000 0.535 2.191) 2.256 7.715 ( 0.000 -5.196 4.133) 6.639 7.929 ( 0.000 -14.025 2.239) 14.203 8.530 ( 0.000 -0.584 -1.301) 1.426 8.576 ( -0.000 -0.011 -2.365) 2.365 9.321 ( -0.000 5.242 -7.925) 9.501 22.724 ( -0.000 0.890 -2.924) 3.057 22.773 ( 0.000 -1.528 -2.110) 2.605 22.951 ( -0.000 1.911 1.643) 2.521 31.333 ( 0.000 -0.633 -0.022) 0.634 31.483 ( -0.000 1.235 2.073) 2.413 31.543 ( 0.000 -0.814 1.609) 1.804 40.436 ( -0.000 2.430 0.831) 2.568 40.496 ( -0.000 2.563 1.353) 2.898 40.679 ( 0.000 -1.657 1.933) 2.546 41.461 ( -0.000 1.159 -0.640) 1.324 41.516 ( -0.000 0.575 1.555) 1.658 41.613 ( 0.000 -2.791 1.425) 3.134 47.128 ( 0.000 -5.571 5.417) 7.770 47.292 ( 0.000 -5.381 2.798) 6.065 47.789 ( -0.000 2.327 -4.002) 4.629 87.577 ( -0.000 0.161 -0.251) 0.298 87.591 ( 0.000 -0.144 -0.428) 0.452 87.630 ( -0.000 0.628 -0.559) 0.841======================= Grid point 378 (141/288) =======================q-point: (-0.14 -0.21 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 4.555 -0.244 -19.460) 19.987 2.304 ( 1.537 -12.790 -21.692) 25.228 3.583 ( -0.760 13.291 -6.190) 14.682 3.736 ( -0.537 -1.318 -22.863) 22.908 4.091 ( -1.865 -11.113 -9.319) 14.623 4.177 ( 3.510 -3.413 -2.089) 5.323 4.926 ( 2.802 6.418 6.744) 9.722 5.289 ( 1.006 -9.032 0.076) 9.088 5.677 ( -0.433 3.842 -1.819) 4.273 5.882 ( -4.332 -0.250 -0.272) 4.348 6.088 ( 4.858 -8.904 0.329) 10.148 6.391 ( -2.289 11.041 -6.714) 13.123 6.986 ( -7.545 5.148 1.113) 9.202 7.153 ( 5.636 7.555 0.786) 9.458 7.658 ( -6.583 1.115 6.880) 9.587 7.703 ( -2.422 1.810 9.579) 10.045 7.785 ( 2.649 -4.412 3.150) 6.034 7.973 ( 8.294 -13.141 5.078) 16.348 8.497 ( -2.655 -0.059 -0.768) 2.764 8.550 ( 1.762 0.262 -1.319) 2.217 9.207 ( 1.546 2.754 -6.803) 7.500 22.676 ( 0.079 1.093 -2.884) 3.085 22.724 ( -0.129 -1.739 -2.557) 3.095 22.982 ( -0.884 3.113 0.873) 3.352 31.334 ( 0.245 -0.750 0.350) 0.863 31.527 ( -0.045 1.115 2.403) 2.649 31.571 ( -0.114 -0.688 1.956) 2.076 40.463 ( -0.008 1.941 1.241) 2.304 40.526 ( 0.385 1.084 0.913) 1.469 40.715 ( -0.625 0.487 2.452) 2.577 41.450 ( -0.898 1.714 -0.981) 2.169 41.544 ( -0.065 0.534 1.285) 1.393 41.635 ( 0.519 -2.814 2.177) 3.595 47.167 ( -4.840 -4.875 3.613) 7.762 47.304 ( -2.680 -3.020 -0.028) 4.038 47.823 ( 11.366 -6.526 5.689) 14.288 87.573 ( -0.084 0.106 -0.310) 0.338 87.582 ( 0.113 -0.107 -0.504) 0.528 87.620 ( -0.158 0.644 -0.833) 1.065======================= Grid point 392 (142/288) =======================q-point: (-0.14 -0.14 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.536 ( -0.000 -3.597 -23.042) 23.321 1.830 ( 0.000 -16.414 -24.369) 29.381 3.121 ( -0.000 -9.730 -40.523) 41.675 3.539 ( -0.000 16.502 -6.163) 17.615 3.973 ( 0.000 -10.760 -1.216) 10.828 4.127 ( 0.000 -6.374 -1.141) 6.475 5.062 ( -0.000 3.521 6.828) 7.683 5.250 ( 0.000 -6.640 -1.015) 6.718 5.639 ( -0.000 6.744 -4.522) 8.120 5.887 ( -0.000 1.205 -1.563) 1.974 6.059 ( 0.000 -7.819 2.572) 8.231 6.268 ( -0.000 13.598 -13.845) 19.406 7.043 ( -0.000 2.298 1.057) 2.530 7.211 ( -0.000 5.507 4.920) 7.384 7.732 ( 0.000 -0.438 0.598) 0.741 7.767 ( 0.000 -4.042 1.412) 4.281 7.976 ( 0.000 3.297 13.539) 13.935 7.992 ( 0.000 -16.120 6.581) 17.411 8.509 ( -0.000 0.259 0.728) 0.773 8.531 ( -0.000 0.372 0.031) 0.374 9.109 ( -0.000 0.348 -3.922) 3.938 22.633 ( -0.000 1.183 -2.428) 2.701 22.674 ( 0.000 -1.657 -2.366) 2.889 23.007 ( -0.000 5.021 -0.455) 5.042 31.338 ( 0.000 -0.776 0.496) 0.921 31.574 ( -0.000 0.973 2.370) 2.562 31.605 ( 0.000 -0.583 1.963) 2.048 40.494 ( -0.000 1.629 1.340) 2.110 40.541 ( 0.000 -0.047 0.771) 0.773 40.763 ( -0.000 2.429 1.914) 3.092 41.440 ( -0.000 3.221 -1.717) 3.650 41.568 ( -0.000 0.509 1.024) 1.144 41.663 ( 0.000 -3.218 2.493) 4.071 47.196 ( 0.000 -1.286 -0.136) 1.294 47.322 ( 0.000 -3.860 0.956) 3.976 47.896 ( 0.000 -18.645 13.933) 23.276 87.568 ( -0.000 0.069 -0.306) 0.314 87.573 ( -0.000 -0.065 -0.466) 0.470 87.607 ( -0.000 0.735 -0.974) 1.220======================= Grid point 439 (143/288) =======================q-point: ( 0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( -0.000 -0.000 10.921) 10.921 2.664 ( 0.000 -0.000 10.921) 10.921 3.936 ( 0.000 -0.000 6.530) 6.530 3.936 ( 0.000 -0.000 6.530) 6.530 4.206 ( -0.000 0.000 -5.180) 5.180 4.664 ( 0.000 -0.000 11.692) 11.692 5.101 ( -0.000 0.000 5.272) 5.272 5.101 ( 0.000 -0.000 5.272) 5.272 5.730 ( 0.000 -0.000 0.904) 0.904 5.899 ( 0.000 0.000 -0.030) 0.030 5.899 ( 0.000 -0.000 -0.030) 0.030 6.768 ( -0.000 0.000 -3.269) 3.269 7.029 ( -0.000 0.000 -3.172) 3.172 7.029 ( 0.000 -0.000 -3.172) 3.172 7.214 ( -0.000 0.000 -12.475) 12.475 7.552 ( -0.000 0.000 -1.869) 1.869 7.552 ( -0.000 0.000 -1.869) 1.869 7.663 ( -0.000 0.000 -3.799) 3.799 8.580 ( 0.000 -0.000 1.688) 1.688 8.580 ( 0.000 -0.000 1.688) 1.688 9.591 ( 0.000 -0.000 8.599) 8.599 22.784 ( 0.000 -0.000 1.994) 1.994 22.784 ( 0.000 -0.000 1.994) 1.994 22.935 ( -0.000 0.000 -3.120) 3.120 31.331 ( 0.000 -0.000 0.860) 0.860 31.488 ( -0.000 0.000 -1.294) 1.294 31.488 ( 0.000 0.000 -1.294) 1.294 40.503 ( -0.000 0.000 0.161) 0.161 40.503 ( 0.000 -0.000 0.161) 0.161 40.591 ( -0.000 0.000 -3.339) 3.339 41.506 ( -0.000 0.000 -1.369) 1.369 41.506 ( 0.000 0.000 -1.369) 1.369 41.526 ( 0.000 -0.000 1.075) 1.075 47.045 ( -0.000 0.000 -3.860) 3.860 47.045 ( 0.000 0.000 -3.860) 3.860 48.017 ( 0.000 -0.000 12.909) 12.909 87.589 ( -0.000 0.000 0.184) 0.184 87.589 ( 0.000 -0.000 0.184) 0.184 87.646 ( 0.000 -0.000 0.109) 0.109======================= Grid point 440 (144/288) =======================q-point: ( 0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( -6.943 -4.008 4.849) 9.369 2.865 ( 7.485 4.321 4.941) 9.955 4.027 ( -2.136 -1.233 -11.144) 11.414 4.051 ( -3.971 -2.293 9.904) 10.914 4.114 ( 3.301 1.906 6.670) 7.683 4.741 ( -0.159 -0.092 -2.624) 2.630 5.186 ( -4.134 -2.387 8.921) 10.118 5.264 ( 3.177 1.834 8.265) 9.043 5.767 ( -1.360 -0.785 3.566) 3.897 5.862 ( -4.348 -2.511 -0.723) 5.073 5.947 ( 7.047 4.068 0.397) 8.146 6.694 ( -6.605 -3.813 -0.575) 7.648 6.908 ( -6.002 -3.465 -3.830) 7.918 7.029 ( 7.854 4.535 -4.785) 10.254 7.034 ( -0.294 -0.170 -7.450) 7.458 7.517 ( -0.646 -0.373 -0.845) 1.127 7.552 ( 2.061 1.190 0.138) 2.384 7.621 ( 6.254 3.611 -3.852) 8.185 8.582 ( -2.305 -1.331 0.555) 2.719 8.619 ( 1.759 1.016 0.898) 2.221 9.711 ( -2.059 -1.189 5.744) 6.217 22.809 ( -0.322 -0.186 0.808) 0.889 22.813 ( 0.249 0.144 1.075) 1.112 22.879 ( 0.029 0.017 -3.090) 3.091 31.353 ( 0.049 0.029 1.606) 1.607 31.462 ( -0.988 -0.571 -0.687) 1.332 31.480 ( 0.934 0.539 -0.554) 1.213 40.488 ( -2.496 -1.441 0.410) 2.911 40.523 ( 1.510 0.872 0.483) 1.809 40.551 ( 0.588 0.340 -1.281) 1.450 41.474 ( -0.957 -0.553 -1.350) 1.745 41.488 ( 0.673 0.389 -1.257) 1.478 41.554 ( 0.453 0.262 1.657) 1.738 46.940 ( -3.985 -2.301 -3.317) 5.672 47.026 ( 6.208 3.584 -4.210) 8.313 48.268 ( -1.949 -1.125 16.273) 16.428 87.588 ( -0.266 -0.154 -0.040) 0.310 87.593 ( 0.298 0.172 -0.044) 0.347 87.644 ( -0.108 -0.062 -0.290) 0.316======================= Grid point 441 (145/288) =======================q-point: (-0.71 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( -6.730 -3.886 2.991) 8.327 2.984 ( 6.458 3.728 1.296) 7.569 3.745 ( -0.736 -0.425 -17.581) 17.602 4.192 ( -5.498 -3.175 9.815) 11.689 4.245 ( -1.371 -0.792 5.518) 5.741 4.595 ( 0.804 0.464 -12.816) 12.849 5.324 ( -3.703 -2.138 10.050) 10.921 5.442 ( 1.145 0.661 9.296) 9.390 5.799 ( -5.383 -3.108 -1.288) 6.348 5.819 ( 0.231 0.133 2.532) 2.546 6.000 ( 5.152 2.975 -1.657) 6.176 6.636 ( -5.443 -3.142 -0.304) 6.292 6.842 ( -2.202 -1.271 1.483) 2.944 6.956 ( -0.602 -0.347 -7.525) 7.557 6.956 ( -0.022 -0.013 -0.578) 0.578 7.550 ( 6.343 3.662 1.988) 7.589 7.584 ( 2.025 1.169 1.302) 2.677 7.637 ( 8.534 4.927 -1.771) 10.012 8.558 ( -2.786 -1.608 -0.533) 3.261 8.644 ( 1.229 0.709 0.478) 1.497 9.755 ( -4.062 -2.345 2.362) 5.251 22.805 ( -0.726 -0.419 -0.722) 1.106 22.809 ( -0.532 -0.307 -2.120) 2.207 22.844 ( 1.351 0.780 -0.845) 1.774 31.387 ( -0.215 -0.124 2.182) 2.196 31.447 ( -0.841 -0.486 0.029) 0.972 31.485 ( 0.990 0.571 0.148) 1.152 40.478 ( -2.315 -1.336 0.997) 2.853 40.544 ( 1.056 0.609 0.474) 1.308 40.554 ( 0.631 0.364 0.772) 1.062 41.442 ( -0.713 -0.412 -1.407) 1.630 41.474 ( 0.976 0.564 -1.121) 1.590 41.591 ( 0.228 0.131 2.162) 2.178 46.864 ( -2.246 -1.297 -1.917) 3.226 47.004 ( 6.348 3.665 -4.677) 8.695 48.551 ( -5.086 -2.936 19.054) 19.939 87.583 ( -0.224 -0.130 -0.249) 0.359 87.592 ( 0.328 0.189 -0.313) 0.491 87.635 ( -0.157 -0.090 -0.624) 0.650======================= Grid point 442 (146/288) =======================q-point: (-0.64 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( -7.040 -4.065 3.313) 8.778 3.005 ( 1.126 0.650 -3.988) 4.194 3.425 ( 2.383 1.376 -18.379) 18.584 4.166 ( -6.317 -3.647 -12.293) 14.295 4.281 ( -4.302 -2.484 2.115) 5.399 4.445 ( 1.183 0.683 0.669) 1.521 5.445 ( -4.480 -2.586 6.378) 8.212 5.581 ( -1.370 -0.791 4.796) 5.050 5.731 ( -4.750 -2.743 -0.428) 5.502 5.828 ( 0.091 0.052 -2.533) 2.535 6.020 ( 4.634 2.676 1.826) 5.654 6.551 ( -4.024 -2.323 -5.915) 7.522 6.786 ( -3.108 -1.794 -7.966) 8.737 6.882 ( -1.958 -1.131 3.683) 4.322 7.047 ( 5.395 3.115 7.882) 10.046 7.637 ( 1.000 0.577 3.298) 3.494 7.658 ( 2.744 1.584 4.790) 5.743 7.745 ( 13.211 7.628 3.379) 15.625 8.519 ( -3.143 -1.815 -0.622) 3.683 8.662 ( 0.464 0.268 0.665) 0.854 9.723 ( -5.553 -3.206 -0.965) 6.484 22.757 ( -0.318 -0.184 -2.844) 2.867 22.770 ( -1.029 -0.594 -2.227) 2.524 22.845 ( 1.711 0.988 -1.013) 2.221 31.414 ( -1.461 -0.843 1.320) 2.141 31.458 ( 0.251 0.145 1.879) 1.902 31.502 ( 1.062 0.613 0.711) 1.417 40.483 ( -1.791 -1.034 1.599) 2.615 40.557 ( 0.501 0.289 0.167) 0.602 40.586 ( 0.499 0.288 2.153) 2.229 41.412 ( -0.378 -0.218 -1.464) 1.528 41.467 ( 1.354 0.782 -0.860) 1.784 41.634 ( 0.068 0.039 2.468) 2.469 46.836 ( -0.122 -0.070 0.074) 0.159 46.974 ( 5.908 3.411 -4.909) 8.405 48.847 ( -9.018 -5.207 21.370) 23.772 87.575 ( -0.139 -0.081 -0.390) 0.422 87.588 ( 0.358 0.207 -0.555) 0.692 87.620 ( -0.158 -0.091 -0.825) 0.845======================= Grid point 443 (147/288) =======================q-point: (-0.57 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.720 ( -9.182 -5.301 3.293) 11.102 2.826 ( -7.749 -4.474 -12.479) 15.355 3.166 ( 6.351 3.667 -15.555) 17.197 3.772 ( -1.984 -1.145 -24.840) 24.945 4.275 ( -3.576 -2.065 1.862) 4.530 4.519 ( -4.292 -2.478 6.508) 8.180 5.414 ( -2.079 -1.201 -6.493) 6.922 5.538 ( -2.235 -1.290 -7.061) 7.518 5.736 ( -7.736 -4.466 6.645) 11.133 5.787 ( -1.214 -0.701 -0.424) 1.465 6.159 ( 6.111 3.528 6.801) 9.800 6.336 ( -3.396 -1.960 -13.276) 13.843 6.655 ( 0.831 0.480 -5.819) 5.898 6.928 ( -3.101 -1.790 3.913) 5.304 7.267 ( 9.155 5.286 7.981) 13.246 7.729 ( -1.088 -0.628 7.371) 7.477 7.797 ( 0.737 0.425 9.379) 9.418 7.952 ( 10.947 6.320 6.762) 14.335 8.489 ( -3.010 -1.738 0.603) 3.527 8.675 ( -0.612 -0.353 0.848) 1.103 9.627 ( -5.912 -3.413 -3.782) 7.804 22.706 ( -0.171 -0.099 -2.660) 2.668 22.711 ( -1.047 -0.604 -3.277) 3.493 22.836 ( 2.026 1.170 -1.920) 3.027 31.415 ( -1.805 -1.042 0.788) 2.228 31.507 ( 0.437 0.252 2.913) 2.956 31.528 ( 1.157 0.668 1.066) 1.709 40.499 ( -1.289 -0.744 1.711) 2.267 40.559 ( 0.066 0.038 -0.271) 0.282 40.634 ( 0.393 0.227 2.733) 2.770 41.383 ( -0.102 -0.059 -1.578) 1.583 41.469 ( 1.746 1.008 -0.398) 2.056 41.679 ( 0.015 0.009 2.474) 2.474 46.864 ( 1.834 1.059 2.207) 3.059 46.940 ( 5.322 3.073 -4.566) 7.656 49.142 ( -13.060 -7.540 23.195) 27.666 87.567 ( -0.032 -0.018 -0.433) 0.435 87.580 ( 0.396 0.229 -0.722) 0.855 87.604 ( -0.150 -0.086 -0.869) 0.886======================= Grid point 444 (148/288) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.470 ( -13.543 -7.819 -15.864) 22.276 2.646 ( -14.266 -8.236 -1.555) 16.546 2.963 ( 7.462 4.308 -14.228) 16.633 3.307 ( -0.449 -0.259 -24.567) 24.572 4.289 ( -1.877 -1.084 2.220) 3.102 4.565 ( -8.714 -5.031 4.824) 11.159 5.225 ( 2.988 1.725 -13.995) 14.414 5.356 ( -1.068 -0.617 -10.505) 10.577 5.764 ( -12.591 -7.270 5.453) 15.528 5.775 ( 0.244 0.141 -0.828) 0.875 6.068 ( -3.590 -2.073 -12.299) 12.979 6.325 ( 3.253 1.878 6.308) 7.342 6.604 ( 7.848 4.531 -3.546) 9.732 6.960 ( -2.945 -1.700 2.833) 4.426 7.469 ( 9.392 5.422 5.308) 12.074 7.868 ( -2.545 -1.469 9.431) 9.878 7.984 ( -1.010 -0.583 10.708) 10.771 8.166 ( 6.645 3.836 8.244) 11.262 8.494 ( -2.207 -1.274 2.798) 3.785 8.680 ( -1.827 -1.055 1.015) 2.341 9.498 ( -4.174 -2.410 -4.924) 6.890 22.641 ( -0.668 -0.385 -3.544) 3.626 22.661 ( -0.144 -0.083 -2.196) 2.202 22.813 ( 2.161 1.248 -2.887) 3.816 31.412 ( -1.819 -1.050 0.696) 2.213 31.559 ( 1.267 0.731 1.156) 1.865 31.563 ( 0.311 0.180 2.916) 2.938 40.518 ( -0.913 -0.527 1.468) 1.808 40.550 ( -0.053 -0.031 -0.610) 0.613 40.684 ( 0.365 0.210 2.406) 2.442 41.353 ( -0.051 -0.029 -1.793) 1.794 41.484 ( 2.016 1.164 0.151) 2.333 41.719 ( -0.007 -0.004 2.064) 2.064 46.913 ( 4.813 2.779 -3.454) 6.543 46.943 ( 3.084 1.781 3.964) 5.329 49.432 ( -15.981 -9.227 24.263) 30.483 87.560 ( 0.070 0.041 -0.380) 0.389 87.570 ( 0.438 0.253 -0.839) 0.980 87.588 ( -0.171 -0.099 -0.733) 0.759======================= Grid point 445 (149/288) =======================q-point: (-0.43 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( -19.001 -10.970 -15.395) 26.803 2.336 ( -17.110 -9.878 -17.543) 26.421 2.818 ( 10.609 6.125 -10.868) 16.377 2.962 ( -7.117 -4.109 -10.608) 13.418 4.307 ( -1.791 -1.034 1.439) 2.519 4.527 ( -11.734 -6.774 1.453) 13.626 5.015 ( 6.538 3.775 -13.453) 15.427 5.174 ( 0.885 0.511 -9.454) 9.509 5.648 ( -4.771 -2.754 -9.927) 11.353 5.756 ( 2.265 1.308 -2.743) 3.790 5.905 ( -13.288 -7.672 3.714) 15.787 6.419 ( -1.724 -0.995 3.235) 3.798 6.681 ( 14.269 8.238 0.449) 16.483 6.987 ( -1.555 -0.898 2.832) 3.353 7.625 ( 6.596 3.808 4.153) 8.675 7.996 ( -0.886 -0.512 6.581) 6.660 8.118 ( -3.603 -2.080 5.908) 7.226 8.352 ( 2.763 1.595 7.475) 8.127 8.544 ( -1.502 -0.867 4.316) 4.651 8.679 ( -2.775 -1.602 1.009) 3.359 9.412 ( 0.483 0.279 -1.811) 1.895 22.579 ( 0.029 0.017 -2.962) 2.962 22.626 ( -0.213 -0.123 -1.578) 1.597 22.773 ( 1.758 1.015 -3.610) 4.142 31.407 ( -1.761 -1.016 0.527) 2.100 31.590 ( 1.365 0.788 0.943) 1.837 31.613 ( 0.154 0.089 2.408) 2.415 40.534 ( -0.577 -0.333 1.215) 1.386 40.539 ( 0.180 0.104 -0.724) 0.753 40.721 ( 0.292 0.169 1.288) 1.331 41.318 ( -0.376 -0.217 -1.943) 1.991 41.509 ( 2.037 1.176 0.538) 2.413 41.749 ( -0.082 -0.048 1.273) 1.276 46.909 ( 4.333 2.502 -1.606) 5.255 47.052 ( 3.336 1.926 4.915) 6.244 49.714 ( -15.800 -9.122 23.662) 29.879 87.555 ( 0.140 0.081 -0.256) 0.303 87.558 ( 0.391 0.226 -0.932) 1.036 87.576 ( -0.177 -0.102 -0.437) 0.483======================= Grid point 446 (150/288) =======================q-point: (-0.36 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -23.004 -13.281 -11.357) 28.889 1.805 ( -19.096 -11.025 -21.030) 30.471 2.733 ( -19.871 -11.473 -2.958) 23.135 2.780 ( 13.991 8.078 -5.755) 17.150 4.305 ( -2.930 -1.692 0.762) 3.468 4.426 ( -11.852 -6.843 -0.168) 13.687 4.887 ( 7.384 4.263 -7.916) 11.634 5.051 ( 2.677 1.546 -5.873) 6.637 5.421 ( -3.251 -1.877 -9.237) 9.971 5.713 ( 3.975 2.295 -5.402) 7.089 5.909 ( -12.679 -7.320 8.758) 17.060 6.414 ( -6.062 -3.500 0.616) 7.027 6.852 ( 17.160 9.908 2.278) 19.946 7.031 ( -0.277 -0.160 2.779) 2.798 7.734 ( 2.400 1.385 3.491) 4.457 8.089 ( 3.258 1.881 2.936) 4.772 8.120 ( -6.371 -3.678 -0.244) 7.361 8.472 ( 1.068 0.617 4.054) 4.237 8.601 ( -1.359 -0.785 3.043) 3.424 8.655 ( -2.419 -1.397 -0.987) 2.962 9.459 ( 6.458 3.729 2.621) 7.904 22.541 ( 0.787 0.454 -1.779) 1.997 22.602 ( -0.305 -0.176 -0.740) 0.820 22.720 ( 0.293 0.169 -3.108) 3.126 31.399 ( -1.636 -0.944 0.263) 1.907 31.615 ( 1.419 0.819 0.424) 1.692 31.649 ( -0.010 -0.006 1.528) 1.528 40.529 ( 0.604 0.349 -0.721) 1.003 40.552 ( -0.088 -0.051 1.224) 1.228 40.731 ( -0.174 -0.100 -0.363) 0.414 41.280 ( -1.120 -0.647 -1.379) 1.890 41.537 ( 1.803 1.041 0.599) 2.166 41.763 ( -0.196 -0.113 0.437) 0.492 46.937 ( 3.712 2.143 0.700) 4.344 47.168 ( 2.645 1.527 4.875) 5.752 49.970 ( -10.205 -5.892 17.205) 20.853 87.545 ( 0.203 0.117 -0.766) 0.800 87.554 ( 0.165 0.095 -0.094) 0.212 87.569 ( -0.143 -0.082 -0.188) 0.250======================= Grid point 447 (151/288) =======================q-point: (-0.29 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( -24.393 -14.084 -2.895) 28.315 1.354 ( -23.066 -13.317 -4.932) 27.087 2.497 ( -29.727 -17.163 2.543) 34.420 2.863 ( 16.215 9.361 -0.553) 18.731 4.283 ( -4.446 -2.567 0.491) 5.157 4.317 ( -12.613 -7.282 0.069) 14.565 4.883 ( 7.352 4.245 0.790) 8.526 5.021 ( 3.492 2.016 -0.590) 4.075 5.308 ( -3.178 -1.835 0.252) 3.679 5.635 ( 5.085 2.936 -7.946) 9.880 5.962 ( -9.121 -5.266 7.706) 13.050 6.349 ( -7.673 -4.430 -0.589) 8.880 7.049 ( 17.776 10.263 1.589) 20.587 7.068 ( 0.031 0.018 1.270) 1.271 7.795 ( -0.899 -0.519 2.752) 2.941 8.016 ( -6.432 -3.714 -4.323) 8.594 8.161 ( 6.476 3.739 0.006) 7.478 8.505 ( 0.410 0.237 -1.186) 1.277 8.616 ( -1.219 -0.704 -0.059) 1.408 8.626 ( -1.312 -0.758 0.079) 1.517 9.533 ( 10.090 5.826 -6.005) 13.107 22.531 ( 1.323 0.764 -0.403) 1.579 22.606 ( -0.010 -0.006 1.786) 1.786 22.680 ( -1.779 -1.027 -0.138) 2.059 31.387 ( -1.450 -0.837 -0.044) 1.675 31.629 ( 1.396 0.806 -0.363) 1.652 31.666 ( -0.164 -0.095 0.447) 0.486 40.523 ( 0.992 0.573 -0.824) 1.411 40.576 ( 0.689 0.398 0.944) 1.235 40.709 ( -1.082 -0.625 -0.933) 1.560 41.259 ( -1.720 -0.993 0.833) 2.153 41.561 ( 1.424 0.822 0.361) 1.683 41.763 ( -0.274 -0.158 -0.096) 0.331 46.999 ( 2.914 1.682 2.820) 4.390 47.266 ( 1.322 0.763 3.963) 4.246 50.043 ( -2.643 -1.526 -6.928) 7.570 87.537 ( 0.034 0.020 -0.047) 0.062 87.555 ( 0.146 0.084 0.081) 0.187 87.566 ( -0.122 -0.070 -0.012) 0.141======================= Grid point 448 (152/288) =======================q-point: (-0.21 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -20.559 -11.870 9.267) 25.484 1.300 ( -19.887 -11.482 19.687) 30.247 2.355 ( -32.501 -18.764 15.739) 40.695 3.043 ( 16.987 9.807 3.644) 19.950 4.193 ( -12.923 -7.461 -0.957) 14.953 4.240 ( -5.769 -3.330 -0.151) 6.663 5.056 ( 6.236 3.600 10.005) 12.327 5.084 ( 2.746 1.585 3.556) 4.764 5.380 ( 0.092 0.053 10.162) 10.163 5.537 ( 6.264 3.616 -7.929) 10.732 6.005 ( -6.760 -3.903 5.172) 9.364 6.262 ( -7.338 -4.237 -1.487) 8.603 7.074 ( 0.253 0.146 -0.652) 0.715 7.206 ( 16.086 9.287 -1.813) 18.662 7.818 ( -2.613 -1.508 1.670) 3.448 7.872 ( -4.666 -2.694 -5.592) 7.765 8.195 ( 6.979 4.030 -3.456) 8.769 8.455 ( 0.727 0.420 -5.258) 5.325 8.583 ( -0.737 -0.426 -2.318) 2.469 8.602 ( -3.698 -2.135 -1.448) 4.509 9.360 ( 2.947 1.702 -18.386) 18.699 22.548 ( 1.494 0.863 0.831) 1.915 22.639 ( -0.837 -0.483 1.082) 1.451 22.738 ( 1.590 0.918 7.846) 8.058 31.371 ( -1.216 -0.702 -0.324) 1.441 31.626 ( 1.227 0.708 -1.297) 1.920 31.662 ( -0.296 -0.171 -0.621) 0.709 40.516 ( 1.215 0.701 -1.099) 1.782 40.580 ( 0.281 0.162 -1.180) 1.224 40.711 ( 0.610 0.352 1.724) 1.863 41.289 ( -0.658 -0.380 3.756) 3.832 41.575 ( 1.026 0.593 -0.058) 1.187 41.754 ( -0.502 -0.290 -0.675) 0.890 47.082 ( 2.080 1.201 3.819) 4.512 47.328 ( -0.277 -0.160 2.487) 2.508 49.535 ( -13.016 -7.515 -42.144) 44.744 87.547 ( 0.305 0.176 0.911) 0.977 87.559 ( 0.095 0.055 0.248) 0.272 87.567 ( -0.030 -0.017 0.249) 0.252======================= Grid point 449 (153/288) =======================q-point: (-0.14 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -11.543 -6.664 19.124) 23.311 1.549 ( -16.773 -9.684 23.763) 30.656 2.557 ( -21.800 -12.586 35.174) 43.253 3.284 ( 16.425 9.483 6.199) 19.953 4.064 ( -11.607 -6.701 -0.643) 13.418 4.178 ( -6.363 -3.674 -0.343) 7.356 5.133 ( 1.532 0.885 -1.872) 2.576 5.228 ( -1.681 -0.971 5.810) 6.126 5.519 ( 7.248 4.185 0.229) 8.373 5.688 ( 11.073 6.393 15.281) 19.925 6.038 ( -4.553 -2.629 6.085) 8.041 6.165 ( -6.676 -3.854 -2.377) 8.067 7.057 ( 0.972 0.561 -1.684) 2.024 7.254 ( 11.118 6.419 -6.630) 14.449 7.762 ( -1.716 -0.991 -2.851) 3.472 7.808 ( -3.356 -1.937 0.274) 3.885 8.143 ( 5.099 2.944 -8.887) 10.660 8.271 ( -11.167 -6.447 -10.332) 16.524 8.533 ( -0.998 -0.576 -2.078) 2.376 8.541 ( 0.180 0.104 -1.622) 1.635 9.119 ( -2.054 -1.186 -5.625) 6.104 22.585 ( 1.344 0.776 1.780) 2.361 22.651 ( -1.606 -0.927 1.746) 2.547 22.909 ( 5.764 3.328 5.538) 8.658 31.354 ( -0.950 -0.549 -0.498) 1.205 31.606 ( 0.972 0.561 -2.030) 2.320 31.640 ( -0.406 -0.234 -1.472) 1.544 40.506 ( 1.314 0.758 -1.357) 2.035 40.558 ( -0.071 -0.041 -1.113) 1.116 40.753 ( 2.680 1.547 0.528) 3.140 41.368 ( 1.855 1.071 3.873) 4.425 41.577 ( 0.687 0.397 -0.555) 0.968 41.724 ( -1.518 -0.876 -1.860) 2.556 47.161 ( 1.056 0.610 3.161) 3.388 47.347 ( -1.888 -1.090 0.767) 2.310 48.560 ( -26.880 -15.519 -38.092) 49.137 87.562 ( 0.097 0.056 0.352) 0.369 87.565 ( 0.025 0.014 0.385) 0.387 87.582 ( 0.659 0.381 1.103) 1.340======================= Grid point 454 (154/288) =======================q-point: ( 0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( 0.000 -7.557 2.941) 8.109 2.922 ( -0.000 7.744 2.063) 8.014 3.750 ( -0.000 -0.905 -18.218) 18.240 4.237 ( 0.000 -2.560 10.289) 10.603 4.250 ( 0.000 -1.318 7.060) 7.182 4.588 ( -0.000 0.424 -13.976) 13.982 5.348 ( 0.000 -7.536 10.379) 12.826 5.432 ( -0.000 4.515 9.294) 10.333 5.800 ( 0.000 -7.068 0.893) 7.124 5.899 ( -0.000 5.067 0.276) 5.075 5.921 ( -0.000 3.918 -0.945) 4.030 6.675 ( 0.000 -11.615 0.395) 11.621 6.901 ( -0.000 3.658 -2.883) 4.658 6.920 ( -0.000 2.565 -3.761) 4.552 6.958 ( -0.000 0.524 -1.391) 1.487 7.498 ( 0.000 -0.507 -0.789) 0.937 7.546 ( 0.000 -0.451 2.205) 2.250 7.604 ( -0.000 10.167 -0.037) 10.167 8.582 ( 0.000 -3.470 -0.285) 3.481 8.631 ( -0.000 2.711 0.352) 2.734 9.783 ( 0.000 -2.732 2.418) 3.648 22.806 ( 0.000 -1.541 -1.391) 2.076 22.823 ( -0.000 0.583 -0.066) 0.587 22.828 ( -0.000 1.005 -2.284) 2.496 31.388 ( 0.000 -0.047 2.362) 2.363 31.455 ( 0.000 -1.382 -0.064) 1.384 31.476 ( -0.000 1.390 0.078) 1.392 40.504 ( 0.000 -2.175 0.851) 2.335 40.519 ( 0.000 -1.467 0.757) 1.650 40.556 ( -0.000 3.066 0.646) 3.133 41.449 ( 0.000 -0.913 -1.493) 1.750 41.465 ( -0.000 1.027 -1.235) 1.606 41.590 ( 0.000 0.262 2.259) 2.274 46.892 ( 0.000 -1.891 -2.672) 3.273 46.948 ( -0.000 4.522 -3.908) 5.977 48.586 ( 0.000 -3.051 19.527) 19.764 87.585 ( 0.000 -0.241 -0.267) 0.360 87.589 ( -0.000 0.277 -0.307) 0.414 87.636 ( -0.000 -0.107 -0.640) 0.649======================= Grid point 455 (155/288) =======================q-point: (-0.71 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.811 ( -4.100 -5.544 3.321) 7.653 2.975 ( 2.350 3.789 -0.599) 4.499 3.405 ( 0.664 -0.252 -20.035) 20.048 4.227 ( -2.347 -3.338 -17.314) 17.788 4.341 ( -4.116 -2.409 1.658) 5.049 4.417 ( 2.736 -0.089 6.054) 6.644 5.482 ( -1.351 -5.569 6.739) 8.846 5.588 ( -0.064 3.004 4.751) 5.621 5.755 ( 0.467 -8.693 -1.641) 8.859 5.874 ( -5.926 5.007 -0.452) 7.771 5.955 ( 5.202 3.306 0.065) 6.164 6.605 ( -2.819 -3.994 -5.816) 7.598 6.834 ( -4.245 -2.850 -4.872) 7.062 6.888 ( 2.216 0.015 1.437) 2.641 6.995 ( 1.693 0.627 4.881) 5.204 7.570 ( 5.287 2.884 5.591) 8.218 7.629 ( 2.254 1.417 6.552) 7.072 7.665 ( 0.133 9.191 2.797) 9.608 8.554 ( -1.694 -3.867 -0.319) 4.234 8.651 ( 0.737 2.496 0.496) 2.649 9.774 ( -1.938 -4.010 -1.150) 4.600 22.757 ( 0.079 -1.550 -2.857) 3.251 22.791 ( -1.619 0.737 -2.034) 2.702 22.821 ( 1.647 0.971 -1.276) 2.299 31.431 ( -0.917 -0.516 2.360) 2.584 31.454 ( 0.356 -1.050 0.898) 1.427 31.491 ( 0.509 1.491 0.668) 1.712 40.507 ( -1.569 -1.707 1.246) 2.632 40.539 ( 1.515 -1.509 0.963) 2.345 40.587 ( -0.239 2.306 1.773) 2.919 41.418 ( -0.376 -0.748 -1.494) 1.713 41.452 ( 0.722 1.398 -1.084) 1.910 41.633 ( 0.026 0.157 2.495) 2.500 46.848 ( -1.435 0.828 -1.000) 1.935 46.909 ( 3.429 3.220 -3.857) 6.083 48.929 ( -3.097 -5.363 22.067) 22.919 87.577 ( -0.139 -0.114 -0.432) 0.468 87.584 ( 0.219 0.199 -0.545) 0.620 87.622 ( -0.059 -0.124 -0.843) 0.854======================= Grid point 456 (156/288) =======================q-point: (-0.64 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( -5.969 -4.710 3.982) 8.584 2.910 ( -4.565 -2.875 -8.128) 9.756 3.087 ( 5.074 1.640 -16.438) 17.281 3.794 ( -1.167 -0.702 -26.670) 26.705 4.329 ( -4.048 -4.930 1.583) 6.572 4.553 ( -0.639 0.489 7.126) 7.171 5.441 ( -1.905 -1.848 -8.819) 9.210 5.558 ( -0.830 1.842 -8.136) 8.383 5.746 ( 1.716 -11.110 3.821) 11.873 5.877 ( -7.641 5.230 3.789) 10.004 6.072 ( 6.654 3.117 7.093) 10.213 6.381 ( -2.724 -1.869 -14.814) 15.178 6.699 ( -6.869 -3.228 -4.266) 8.706 6.949 ( 1.175 -1.386 3.022) 3.526 7.149 ( 7.224 2.348 7.377) 10.589 7.734 ( 0.699 -1.353 9.796) 9.913 7.785 ( 0.918 7.306 7.396) 10.436 7.834 ( 5.503 4.289 11.073) 13.088 8.527 ( -2.355 -3.481 0.611) 4.247 8.675 ( 0.376 1.832 0.744) 2.013 9.687 ( -2.958 -4.771 -4.776) 7.370 22.701 ( 0.319 -2.063 -2.846) 3.530 22.737 ( -2.095 1.212 -2.931) 3.801 22.808 ( 2.104 1.176 -2.158) 3.235 31.440 ( -1.742 -1.176 0.851) 2.268 31.495 ( 1.283 -0.717 2.491) 2.892 31.518 ( 0.344 1.802 1.422) 2.321 40.515 ( -1.105 -1.248 1.382) 2.166 40.553 ( 0.685 -0.793 0.171) 1.062 40.633 ( -0.093 0.864 2.689) 2.826 41.387 ( -0.359 -0.498 -1.474) 1.597 41.449 ( 1.244 1.681 -0.674) 2.197 41.678 ( 0.039 0.105 2.433) 2.436 46.848 ( 0.678 1.846 0.253) 1.983 46.882 ( 3.019 3.648 -2.582) 5.393 49.277 ( -6.701 -7.703 23.560) 25.678 87.568 ( -0.097 -0.004 -0.492) 0.501 87.575 ( 0.302 0.166 -0.705) 0.784 87.605 ( -0.092 -0.127 -0.869) 0.883======================= Grid point 457 (157/288) =======================q-point: (-0.57 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( -8.624 -6.224 -14.115) 17.673 2.815 ( -10.138 -5.252 1.142) 11.475 2.881 ( 4.138 -0.870 -12.770) 13.452 3.308 ( 0.411 0.566 -25.663) 25.673 4.319 ( -2.704 -2.903 1.812) 4.362 4.650 ( -3.638 0.249 4.925) 6.128 5.198 ( 0.894 -1.416 -15.796) 15.884 5.369 ( -0.837 2.878 -12.169) 12.533 5.759 ( 1.140 -4.351 -0.339) 4.511 5.913 ( -8.437 -3.067 1.391) 9.084 6.103 ( -0.798 -1.217 -9.803) 9.910 6.271 ( 4.633 3.587 8.268) 10.134 6.576 ( -4.272 -1.281 -3.637) 5.755 6.987 ( -0.438 -1.661 1.803) 2.490 7.341 ( 8.952 3.791 6.400) 11.639 7.902 ( -2.270 -3.867 10.364) 11.293 7.975 ( 2.309 5.641 8.792) 10.698 8.099 ( 2.911 1.872 13.511) 13.947 8.526 ( -2.213 -2.235 2.444) 3.983 8.695 ( -0.448 1.073 0.830) 1.429 9.538 ( -1.801 -4.446 -7.774) 9.134 22.642 ( 0.261 -2.517 -3.110) 4.009 22.678 ( -1.933 1.839 -2.575) 3.708 22.783 ( 2.255 1.198 -2.839) 3.818 31.437 ( -1.833 -1.119 0.734) 2.270 31.537 ( 1.694 -0.095 1.330) 2.155 31.563 ( -0.022 1.125 2.681) 2.908 40.529 ( -0.702 -0.895 1.185) 1.643 40.550 ( 0.129 -0.309 -0.474) 0.581 40.682 ( 0.014 -0.019 2.550) 2.551 41.357 ( -0.430 -0.362 -1.453) 1.558 41.459 ( 1.692 1.833 -0.067) 2.495 41.719 ( 0.077 0.072 2.020) 2.023 46.845 ( 4.332 0.017 -2.303) 4.906 46.924 ( 0.560 6.617 3.068) 7.315 49.605 ( -9.605 -9.347 23.246) 26.832 87.559 ( 0.020 0.050 -0.452) 0.455 87.564 ( 0.314 0.190 -0.768) 0.851 87.590 ( -0.121 -0.132 -0.725) 0.746======================= Grid point 458 (158/288) =======================q-point: (-0.50 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( -14.125 -10.886 -13.113) 22.136 2.550 ( -13.894 -5.991 -19.060) 24.335 2.696 ( 6.205 0.364 -10.861) 12.514 3.033 ( -3.173 -0.564 -4.621) 5.634 4.328 ( -1.580 -1.215 1.499) 2.494 4.655 ( -6.724 -0.579 -1.268) 6.867 4.943 ( 4.007 -1.236 -12.269) 12.966 5.168 ( 0.117 4.592 -11.296) 12.194 5.693 ( -2.129 -3.884 -12.983) 13.718 5.730 ( 1.165 1.017 -4.293) 4.564 6.081 ( -10.529 -8.294 7.457) 15.338 6.430 ( 0.689 3.190 5.440) 6.344 6.538 ( 4.365 3.314 -0.297) 5.488 7.005 ( -0.691 -1.744 1.783) 2.588 7.520 ( 8.440 4.052 5.342) 10.779 8.020 ( -2.298 -5.155 6.472) 8.587 8.140 ( 0.471 2.865 6.156) 6.806 8.334 ( -0.411 0.450 10.601) 10.619 8.567 ( -1.721 -1.079 4.134) 4.607 8.708 ( -1.547 0.361 0.936) 1.844 9.383 ( 3.286 -2.059 -7.482) 8.427 22.579 ( 0.071 -1.371 -3.023) 3.320 22.637 ( -1.326 1.103 -1.547) 2.317 22.749 ( 1.852 0.857 -2.971) 3.604 31.432 ( -1.888 -1.024 0.545) 2.216 31.569 ( 1.715 0.439 0.870) 1.973 31.612 ( -0.014 0.505 2.433) 2.485 40.534 ( 0.121 -0.715 -0.414) 0.835 40.544 ( -0.478 0.233 0.495) 0.727 40.719 ( 0.024 -0.458 1.630) 1.694 41.326 ( -0.798 -0.450 -1.311) 1.600 41.482 ( 1.935 1.751 0.462) 2.650 41.749 ( 0.049 -0.006 1.292) 1.293 46.844 ( 4.784 -0.688 -0.956) 4.927 47.028 ( 0.574 7.658 4.854) 9.085 49.888 ( -10.042 -9.271 19.931) 24.167 87.552 ( 0.284 -0.030 -0.608) 0.672 87.555 ( 0.092 0.291 -0.468) 0.559 87.578 ( -0.135 -0.131 -0.458) 0.495======================= Grid point 459 (159/288) =======================q-point: (-0.43 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.889 ( -17.762 -17.324 -11.302) 27.265 2.071 ( -19.702 -3.955 -16.997) 26.320 2.606 ( 11.085 3.893 -6.476) 13.416 2.952 ( -12.395 -4.771 0.600) 13.295 4.336 ( -1.846 -0.843 1.040) 2.280 4.539 ( -3.287 -0.796 -5.027) 6.058 4.825 ( 0.761 -2.132 -3.588) 4.243 5.025 ( 1.380 6.215 -7.413) 9.771 5.452 ( -1.560 -3.187 -9.465) 10.108 5.668 ( 2.597 3.164 -5.932) 7.207 6.095 ( -13.772 -11.042 7.975) 19.370 6.489 ( -4.423 0.235 2.213) 4.952 6.641 ( 12.360 7.130 2.131) 14.427 7.034 ( 0.081 -0.851 2.225) 2.383 7.672 ( 6.630 3.234 4.275) 8.526 8.068 ( -0.084 -3.641 2.249) 4.280 8.195 ( -4.356 -0.635 0.588) 4.441 8.465 ( -0.419 0.713 4.845) 4.915 8.620 ( -1.460 -1.055 2.971) 3.474 8.688 ( -2.566 -0.182 -1.927) 3.214 9.342 ( 10.513 2.251 -2.693) 11.083 22.532 ( 0.497 -0.277 -1.982) 2.062 22.612 ( -1.093 0.651 -0.679) 1.443 22.714 ( 0.659 -0.071 -1.840) 1.956 31.423 ( -1.863 -0.911 0.254) 2.089 31.594 ( 1.739 0.643 0.342) 1.886 31.650 ( -0.076 0.186 1.597) 1.610 40.522 ( 0.483 0.050 -0.890) 1.014 40.554 ( -0.151 0.278 0.676) 0.747 40.734 ( -0.272 -0.740 0.322) 0.851 41.298 ( -1.434 -0.771 -0.660) 1.757 41.512 ( 1.903 1.443 0.664) 2.478 41.765 ( -0.098 -0.130 0.521) 0.546 46.875 ( 5.150 -1.621 1.145) 5.519 47.152 ( -0.054 7.654 5.259) 9.286 50.083 ( -6.745 -6.657 11.050) 14.557 87.542 ( 0.165 0.010 -0.567) 0.590 87.552 ( 0.121 0.190 -0.122) 0.256 87.571 ( -0.128 -0.114 -0.200) 0.263======================= Grid point 460 (160/288) =======================q-point: (-0.36 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( -18.271 -20.700 -3.804) 27.871 1.712 ( -27.695 -1.719 -3.242) 27.937 2.648 ( 14.517 5.605 -0.892) 15.587 2.836 ( -19.728 -7.903 2.089) 21.354 4.332 ( -2.945 -1.508 0.689) 3.379 4.469 ( -7.402 -3.507 1.133) 8.269 4.796 ( 3.624 -1.234 0.667) 3.886 4.984 ( 2.141 7.312 -1.255) 7.721 5.338 ( -1.439 -3.291 -0.510) 3.628 5.577 ( 3.278 4.995 -8.290) 10.219 6.101 ( -11.147 -10.296 6.821) 16.637 6.461 ( -8.652 -1.517 0.293) 8.788 6.807 ( 16.844 7.161 1.696) 18.381 7.067 ( 0.512 0.229 0.986) 1.134 7.782 ( 3.465 1.439 3.135) 4.890 8.075 ( 1.533 -2.839 -2.298) 3.961 8.115 ( -4.148 0.638 -3.496) 5.462 8.501 ( 0.222 1.097 -2.045) 2.331 8.629 ( -0.952 -1.656 0.219) 1.923 8.649 ( -1.970 0.702 0.158) 2.097 9.378 ( 12.720 5.078 -6.182) 15.027 22.515 ( 1.053 0.437 -0.565) 1.273 22.610 ( -0.599 0.718 1.061) 1.415 22.699 ( -0.916 -1.355 0.680) 1.771 31.409 ( -1.753 -0.781 -0.081) 1.921 31.608 ( 1.698 0.740 -0.392) 1.894 31.668 ( -0.163 -0.058 0.525) 0.553 40.511 ( 0.824 0.552 -0.993) 1.403 40.567 ( 0.614 0.594 0.314) 0.910 40.723 ( -0.952 -0.952 -0.477) 1.428 41.284 ( -1.845 -1.103 0.915) 2.336 41.540 ( 1.662 1.019 0.501) 2.013 41.767 ( -0.282 -0.225 0.020) 0.361 46.941 ( 5.366 -2.608 3.143) 6.744 47.264 ( -0.963 6.170 4.465) 7.677 50.080 ( -2.762 -2.624 -7.907) 8.777 87.537 ( 0.036 -0.013 -0.026) 0.047 87.553 ( 0.142 0.138 0.087) 0.217 87.568 ( -0.120 -0.099 -0.021) 0.157======================= Grid point 461 (161/288) =======================q-point: (-0.29 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -19.606 -13.280 7.492) 24.837 1.611 ( -25.635 -2.853 14.169) 29.429 2.732 ( -20.033 -11.330 9.510) 24.903 2.818 ( 13.204 7.571 4.156) 15.778 4.302 ( -4.009 -2.897 -0.556) 4.977 4.394 ( -15.420 -6.005 0.875) 16.571 4.936 ( 10.030 -0.804 9.650) 13.942 5.065 ( 0.886 8.151 5.221) 9.720 5.382 ( 0.199 -3.385 6.734) 7.540 5.468 ( 3.414 6.559 -8.046) 10.927 6.101 ( -7.457 -9.142 4.558) 12.648 6.383 ( -10.408 -1.495 -0.881) 10.552 6.965 ( 18.153 5.876 -0.569) 19.089 7.069 ( 1.102 0.374 -1.525) 1.918 7.832 ( 0.531 -2.548 0.524) 2.655 7.945 ( -4.745 1.166 -6.058) 7.783 8.100 ( 6.024 2.311 -3.186) 7.196 8.434 ( 1.870 2.119 -5.787) 6.440 8.595 ( -1.140 -0.290 -2.637) 2.888 8.653 ( -3.697 -1.239 0.821) 3.985 9.288 ( 7.449 4.955 -13.210) 15.954 22.528 ( 1.422 0.684 0.808) 1.773 22.644 ( -0.023 0.636 1.907) 2.011 22.732 ( -0.284 -1.324 4.834) 5.020 31.390 ( -1.570 -0.632 -0.384) 1.736 31.607 ( 1.541 0.756 -1.245) 2.121 31.666 ( -0.248 -0.257 -0.545) 0.652 40.501 ( 1.080 0.880 -1.224) 1.855 40.571 ( 0.984 0.569 -1.002) 1.515 40.712 ( -0.595 -0.474 0.521) 0.922 41.302 ( -1.205 -1.028 2.800) 3.216 41.559 ( 1.337 0.603 0.091) 1.470 41.760 ( -0.480 -0.276 -0.388) 0.676 47.032 ( 5.136 -3.215 4.254) 7.403 47.339 ( -1.499 2.856 2.817) 4.283 49.679 ( -8.574 -1.435 -32.473) 33.616 87.544 ( 0.193 0.069 0.712) 0.741 87.558 ( 0.111 0.090 0.279) 0.314 87.567 ( -0.076 -0.075 0.145) 0.180======================= Grid point 462 (162/288) =======================q-point: (-0.21 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( -17.367 -2.552 14.346) 22.671 1.790 ( -18.957 -5.020 21.721) 29.264 2.844 ( -18.916 -10.148 24.501) 32.574 3.057 ( 16.490 7.828 7.123) 19.594 4.228 ( -8.105 -7.202 -1.232) 10.912 4.277 ( -12.492 -1.809 -0.369) 12.628 5.109 ( 2.420 1.552 -0.883) 3.007 5.227 ( 2.210 1.991 9.115) 9.588 5.424 ( 6.089 4.419 0.618) 7.548 5.584 ( 4.195 2.014 13.153) 13.951 6.095 ( -4.023 -8.710 3.552) 10.231 6.286 ( -10.916 -0.222 -1.326) 10.999 7.033 ( 4.018 -0.794 -3.905) 5.659 7.066 ( 14.357 5.688 -3.342) 15.800 7.764 ( 0.228 -5.313 -4.283) 6.828 7.876 ( -4.593 4.789 -1.139) 6.733 8.061 ( 6.421 1.717 -7.426) 9.967 8.343 ( -0.020 1.655 -6.763) 6.962 8.540 ( -0.299 0.032 -2.554) 2.572 8.583 ( -5.937 -1.735 -3.365) 7.042 9.136 ( 0.063 3.230 -6.181) 6.974 22.565 ( 1.474 0.721 1.891) 2.503 22.670 ( -1.240 -0.654 1.889) 2.352 22.844 ( 3.676 0.725 5.418) 6.587 31.370 ( -1.333 -0.471 -0.575) 1.526 31.591 ( 1.284 0.698 -1.995) 2.473 31.645 ( -0.327 -0.393 -1.395) 1.486 40.488 ( 1.256 1.027 -1.483) 2.199 40.553 ( 0.695 0.427 -1.524) 1.729 40.727 ( 1.122 0.377 0.613) 1.333 41.353 ( 0.431 -0.476 3.301) 3.363 41.565 ( 1.020 0.278 -0.430) 1.142 41.741 ( -1.031 -0.451 -1.265) 1.693 47.128 ( 3.981 -2.872 4.227) 6.478 47.363 ( -1.126 -2.504 0.756) 2.848 48.897 ( -21.943 -1.721 -38.455) 44.308 87.560 ( 0.236 0.019 0.555) 0.604 87.565 ( 0.013 0.134 0.452) 0.472 87.575 ( 0.370 0.079 0.771) 0.859======================= Grid point 463 (163/288) =======================q-point: (-0.14 0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( -10.164 2.719 18.750) 21.500 2.033 ( -15.597 -6.250 21.585) 27.354 3.245 ( -8.459 -5.055 32.175) 33.650 3.336 ( 14.638 7.392 8.710) 18.568 4.120 ( -10.900 -7.983 0.841) 13.537 4.203 ( -7.058 0.287 -0.423) 7.076 5.026 ( 2.245 4.650 -8.528) 9.969 5.327 ( -5.286 -2.646 3.370) 6.805 5.561 ( 5.768 1.441 6.444) 8.768 5.832 ( 5.402 2.393 5.722) 8.225 6.138 ( -0.653 -6.076 4.473) 7.573 6.213 ( -6.753 1.640 3.438) 7.753 6.990 ( 6.480 -2.664 -3.533) 7.847 7.109 ( 8.897 7.912 -3.005) 12.279 7.701 ( 2.783 -5.015 -1.838) 6.023 7.830 ( -3.160 3.310 -3.362) 5.678 7.930 ( 3.211 0.635 -11.115) 11.587 8.179 ( -11.036 -1.365 -7.020) 13.150 8.497 ( 0.607 -1.895 -1.054) 2.252 8.534 ( -0.738 1.920 -0.084) 2.059 9.113 ( -0.946 2.672 2.123) 3.542 22.618 ( 1.251 0.691 2.581) 2.950 22.695 ( -1.617 -1.047 2.357) 3.044 22.944 ( 4.507 1.208 1.927) 5.048 31.350 ( -1.060 -0.310 -0.581) 1.248 31.561 ( 1.071 0.612 -2.404) 2.702 31.611 ( -0.417 -0.453 -1.880) 1.978 40.474 ( 1.425 1.072 -1.531) 2.350 40.536 ( 0.798 0.647 -1.212) 1.589 40.737 ( 1.540 0.325 -0.928) 1.827 41.410 ( 1.652 -0.014 2.194) 2.746 41.560 ( 0.741 0.116 -0.933) 1.197 41.696 ( -2.059 -0.787 -2.216) 3.125 47.201 ( 0.759 -1.743 2.450) 3.101 47.334 ( 0.614 -8.883 -0.874) 8.947 48.173 ( -22.983 3.423 -23.411) 32.985 87.567 ( 0.083 -0.062 0.293) 0.311 87.574 ( -0.075 0.094 0.502) 0.517 87.597 ( 0.738 0.236 1.049) 1.304======================= Grid point 469 (164/288) =======================q-point: ( 0.29 -0.71 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.868 ( 0.000 -4.794 3.780) 6.105 2.945 ( 0.000 -1.468 -3.300) 3.612 3.045 ( -0.000 0.446 -19.507) 19.512 3.802 ( -0.000 -0.638 -27.315) 27.323 4.362 ( 0.000 -6.906 1.466) 7.060 4.552 ( -0.000 2.532 7.053) 7.494 5.456 ( -0.000 -2.321 -9.498) 9.777 5.563 ( -0.000 4.134 -8.618) 9.558 5.731 ( 0.000 -11.557 4.129) 12.272 5.956 ( -0.000 5.331 1.881) 5.653 5.997 ( 0.000 1.936 8.905) 9.113 6.400 ( -0.000 -1.809 -15.746) 15.850 6.782 ( 0.000 -4.630 -3.788) 5.982 6.907 ( 0.000 -1.071 3.333) 3.501 7.101 ( 0.000 0.862 7.253) 7.304 7.720 ( -0.000 4.685 10.194) 11.219 7.781 ( -0.000 6.552 6.910) 9.522 7.801 ( 0.000 1.023 13.138) 13.178 8.544 ( 0.000 -4.709 0.630) 4.751 8.671 ( -0.000 3.177 0.689) 3.251 9.707 ( 0.000 -5.279 -5.178) 7.394 22.699 ( 0.000 -2.124 -2.859) 3.561 22.758 ( -0.000 1.038 -2.814) 2.999 22.787 ( -0.000 1.367 -2.277) 2.656 31.456 ( 0.000 -1.504 0.657) 1.641 31.482 ( 0.000 -0.490 2.393) 2.443 31.516 ( -0.000 1.912 1.712) 2.567 40.525 ( 0.000 -1.553 1.057) 1.879 40.546 ( 0.000 -0.901 0.621) 1.094 40.634 ( -0.000 1.032 2.596) 2.794 41.390 ( 0.000 -0.894 -1.409) 1.668 41.439 ( -0.000 2.170 -0.798) 2.312 41.678 ( 0.000 0.130 2.416) 2.420 46.844 ( -0.000 1.774 -3.173) 3.636 46.861 ( -0.000 4.189 0.864) 4.277 49.322 ( 0.000 -7.778 23.650) 24.896 87.569 ( -0.000 0.004 -0.513) 0.513 87.572 ( -0.000 0.139 -0.695) 0.709 87.606 ( -0.000 -0.138 -0.872) 0.882======================= Grid point 471 (165/288) =======================q-point: (-0.64 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -2.494 -0.469 -16.507) 16.701 2.835 ( 1.201 -8.706 -7.919) 11.830 2.928 ( -4.365 -2.923 3.887) 6.535 3.299 ( 0.642 0.100 -28.055) 28.063 4.354 ( -1.790 -5.089 1.300) 5.549 4.670 ( -0.106 4.867 4.438) 6.587 5.196 ( -0.119 -3.374 -16.826) 17.162 5.378 ( -0.344 5.248 -13.027) 14.048 5.746 ( 0.623 -5.064 0.187) 5.105 6.007 ( -5.961 -1.860 -1.019) 6.327 6.080 ( 4.026 -1.460 -9.036) 9.999 6.222 ( 1.907 4.137 8.374) 9.533 6.675 ( -7.063 -5.839 -2.384) 9.469 6.963 ( 3.122 0.306 1.303) 3.397 7.251 ( 3.588 1.731 7.407) 8.411 7.920 ( -0.065 -1.995 10.711) 10.895 7.947 ( 0.716 6.147 8.267) 10.327 8.079 ( 0.549 1.197 16.377) 16.430 8.548 ( -0.970 -3.445 2.234) 4.219 8.696 ( 0.052 2.833 0.718) 2.923 9.552 ( -0.456 -5.755 -9.521) 11.134 22.639 ( 0.106 -2.681 -2.874) 3.932 22.705 ( -1.799 1.581 -2.668) 3.585 22.753 ( 1.842 1.512 -2.900) 3.754 31.459 ( -1.108 -1.346 0.723) 1.887 31.517 ( 1.061 0.100 1.343) 1.714 31.563 ( -0.010 1.184 2.667) 2.918 40.536 ( -0.403 -0.926 0.929) 1.372 40.547 ( 0.221 -0.606 -0.239) 0.688 40.683 ( -0.045 -0.156 2.580) 2.585 41.362 ( -0.292 -0.837 -1.206) 1.497 41.442 ( 0.731 2.519 -0.247) 2.634 41.718 ( 0.041 0.091 2.000) 2.003 46.805 ( 1.580 0.017 -2.197) 2.706 46.920 ( 0.086 7.697 3.081) 8.291 49.691 ( -3.200 -9.532 22.623) 24.757 87.560 ( -0.050 0.066 -0.588) 0.594 87.561 ( 0.165 0.145 -0.623) 0.661 87.591 ( -0.043 -0.146 -0.727) 0.743======================= Grid point 472 (166/288) =======================q-point: (-0.57 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.405 ( -5.362 -3.924 -13.085) 14.675 2.607 ( 1.572 -10.605 -15.197) 18.598 2.757 ( -10.901 -2.382 -15.371) 18.994 3.046 ( 1.003 -0.405 0.513) 1.197 4.351 ( -1.578 -1.890 1.167) 2.725 4.707 ( -1.363 5.690 -5.319) 7.908 4.907 ( 1.393 -4.468 -10.184) 11.208 5.168 ( 0.002 6.960 -12.521) 14.326 5.705 ( -0.070 -1.310 -6.346) 6.480 5.728 ( -0.491 -2.069 -12.794) 12.969 6.150 ( -0.454 -4.344 7.133) 8.364 6.409 ( 0.930 3.312 7.768) 8.496 6.582 ( -7.785 -3.258 0.479) 8.452 6.998 ( 1.700 -0.946 1.179) 2.275 7.415 ( 6.410 2.822 6.023) 9.238 8.049 ( -1.723 -8.193 6.700) 10.723 8.120 ( 1.707 5.915 6.890) 9.240 8.352 ( -1.549 1.080 12.823) 12.961 8.587 ( -1.199 -1.719 3.918) 4.443 8.722 ( -0.612 2.264 1.391) 2.727 9.338 ( 2.898 -4.454 -12.257) 13.359 22.578 ( 0.032 -2.200 -2.874) 3.620 22.660 ( -1.952 1.463 -1.656) 2.948 22.722 ( 2.070 1.191 -2.658) 3.573 31.456 ( -1.583 -1.131 0.556) 2.024 31.546 ( 1.506 0.438 0.844) 1.781 31.613 ( -0.025 0.649 2.428) 2.514 40.534 ( -0.029 -0.596 -0.723) 0.938 40.548 ( -0.159 -0.014 0.541) 0.564 40.720 ( -0.083 -0.882 1.828) 2.031 41.337 ( -0.707 -0.866 -0.857) 1.408 41.459 ( 1.304 2.435 0.350) 2.785 41.748 ( 0.059 -0.001 1.335) 1.337 46.790 ( 2.967 -1.662 -0.733) 3.479 47.027 ( -0.173 10.223 4.904) 11.340 49.988 ( -4.889 -9.736 17.675) 20.763 87.549 ( 0.155 -0.026 -0.618) 0.638 87.554 ( 0.038 0.267 -0.388) 0.473 87.579 ( -0.072 -0.148 -0.470) 0.498======================= Grid point 473 (167/288) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( -11.571 -16.191 -12.359) 23.426 2.283 ( -7.969 0.042 -13.015) 15.261 2.517 ( -0.561 -2.751 -6.509) 7.089 3.072 ( -5.537 -1.902 2.855) 6.513 4.357 ( -1.382 -0.235 1.103) 1.784 4.525 ( 3.345 0.967 -10.958) 11.498 4.848 ( -2.419 -0.887 0.093) 2.578 5.011 ( 0.854 8.552 -8.365) 11.993 5.468 ( -0.898 -3.898 -9.690) 10.483 5.643 ( 1.160 3.891 -6.012) 7.254 6.235 ( -4.463 -9.689 6.721) 12.608 6.495 ( -0.616 -1.133 2.680) 2.974 6.599 ( -3.709 5.017 4.164) 7.501 7.027 ( 0.898 -1.789 1.749) 2.658 7.568 ( 8.036 3.259 4.312) 9.684 8.081 ( -1.423 -7.217 2.028) 7.631 8.232 ( -1.260 1.821 2.877) 3.630 8.487 ( -2.568 1.445 4.091) 5.042 8.639 ( -1.161 -1.511 2.779) 3.369 8.729 ( -3.728 0.928 -1.192) 4.022 9.188 ( 11.615 0.310 -7.403) 13.777 22.527 ( 0.252 -1.083 -2.092) 2.369 22.631 ( -1.602 1.244 -0.873) 2.208 22.702 ( 1.198 0.103 -1.015) 1.573 31.448 ( -1.803 -0.931 0.245) 2.043 31.570 ( 1.734 0.595 0.312) 1.860 31.651 ( -0.068 0.289 1.623) 1.650 40.517 ( 0.234 -0.130 -1.006) 1.041 40.556 ( -0.024 0.514 0.214) 0.557 40.738 ( -0.287 -1.225 0.771) 1.475 41.317 ( -1.279 -1.075 -0.196) 1.682 41.488 ( 1.598 1.980 0.678) 2.633 41.765 ( -0.041 -0.152 0.643) 0.662 46.809 ( 4.241 -3.214 1.220) 5.459 47.161 ( -0.869 10.941 5.518) 12.285 50.155 ( -3.945 -7.683 7.636) 11.528 87.540 ( 0.110 -0.055 -0.422) 0.439 87.550 ( 0.072 0.260 -0.161) 0.314 87.572 ( -0.086 -0.137 -0.209) 0.265======================= Grid point 474 (168/288) =======================q-point: (-0.43 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.763 ( -14.572 -19.465 -4.028) 24.646 2.055 ( -21.131 -0.279 -1.570) 21.191 2.481 ( 8.880 2.526 -1.068) 9.294 3.039 ( -10.490 -3.672 1.208) 11.180 4.364 ( -1.913 -0.544 0.905) 2.185 4.471 ( 5.466 -0.256 1.442) 5.659 4.815 ( -4.628 -1.728 -0.280) 4.948 4.962 ( 1.179 9.772 -1.660) 9.982 5.352 ( -0.751 -3.989 -0.912) 4.160 5.547 ( 1.275 6.518 -7.965) 10.371 6.246 ( -9.012 -12.843 5.020) 16.473 6.543 ( 0.284 -0.218 2.174) 2.203 6.656 ( 0.607 5.322 1.709) 5.623 7.054 ( 1.271 -1.321 0.780) 1.992 7.698 ( 8.437 2.656 2.623) 9.226 8.059 ( 0.054 -4.392 -1.567) 4.663 8.189 ( -5.325 -0.164 -4.792) 7.165 8.501 ( -0.346 2.455 -3.064) 3.942 8.644 ( -1.138 -1.393 0.438) 1.851 8.680 ( -2.750 0.750 -0.114) 2.852 9.195 ( 13.980 4.224 -5.453) 15.589 22.503 ( 0.743 -0.170 -0.700) 1.035 22.621 ( -0.995 1.422 0.384) 1.777 22.705 ( -0.116 -1.390 1.301) 1.907 31.433 ( -1.851 -0.744 -0.124) 1.998 31.584 ( 1.806 0.694 -0.378) 1.972 31.670 ( -0.131 -0.025 0.562) 0.578 40.501 ( 0.514 0.476 -1.075) 1.283 40.559 ( 0.540 0.881 -0.316) 1.080 40.735 ( -0.756 -1.321 -0.060) 1.523 41.308 ( -1.660 -1.338 0.925) 2.324 41.517 ( 1.604 1.346 0.617) 2.183 41.770 ( -0.230 -0.296 0.157) 0.407 46.865 ( 5.363 -4.606 3.182) 7.753 47.284 ( -1.748 9.343 4.671) 10.590 50.114 ( -2.264 -3.750 -8.300) 9.385 87.536 ( 0.033 -0.059 0.001) 0.067 87.551 ( 0.108 0.203 0.084) 0.245 87.569 ( -0.095 -0.125 -0.029) 0.160======================= Grid point 475 (169/288) =======================q-point: (-0.36 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.626 ( -16.155 -14.294 7.328) 22.782 1.966 ( -25.566 0.432 10.111) 27.497 2.601 ( 13.290 4.903 4.119) 14.752 2.985 ( -12.536 -5.621 5.107) 14.657 4.347 ( -2.756 -1.519 -0.833) 3.255 4.569 ( -7.591 -3.340 5.622) 10.019 4.818 ( 5.267 -2.024 5.554) 7.917 5.055 ( 0.693 10.641 6.414) 12.444 5.369 ( 1.051 -1.825 0.957) 2.313 5.451 ( -0.190 6.113 -3.119) 6.865 6.206 ( -7.801 -12.711 2.841) 15.183 6.530 ( -10.139 0.530 0.378) 10.160 6.739 ( 13.494 3.734 -0.275) 14.004 7.050 ( 1.739 -1.417 -1.849) 2.907 7.785 ( 7.002 -0.020 0.107) 7.003 7.963 ( 1.406 -1.239 -8.109) 8.323 8.083 ( -3.556 3.117 -2.901) 5.547 8.413 ( 1.009 3.300 -7.019) 7.822 8.612 ( -1.254 -0.671 -2.858) 3.192 8.700 ( -3.229 -0.281 2.664) 4.195 9.167 ( 10.193 5.515 -8.815) 14.561 22.511 ( 1.156 0.318 0.782) 1.432 22.644 ( -0.171 1.502 1.840) 2.382 22.738 ( -0.448 -2.214 3.546) 4.204 31.413 ( -1.770 -0.561 -0.460) 1.913 31.585 ( 1.727 0.754 -1.169) 2.218 31.669 ( -0.193 -0.306 -0.504) 0.620 40.488 ( 0.720 1.031 -1.272) 1.789 40.556 ( 1.126 0.990 -1.204) 1.922 40.722 ( -0.870 -1.070 0.066) 1.380 41.319 ( -1.326 -1.400 2.155) 2.892 41.540 ( 1.419 0.738 0.253) 1.620 41.767 ( -0.409 -0.389 -0.212) 0.603 46.954 ( 6.048 -5.563 4.523) 9.380 47.366 ( -2.280 5.222 2.690) 6.301 49.774 ( -5.643 0.305 -26.490) 27.086 87.542 ( 0.128 -0.011 0.561) 0.575 87.556 ( 0.093 0.144 0.310) 0.355 87.569 ( -0.079 -0.107 0.095) 0.164======================= Grid point 476 (170/288) =======================q-point: (-0.29 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( -17.019 -2.552 12.162) 21.073 2.063 ( -21.244 -1.064 17.436) 27.504 2.829 ( 14.959 5.427 8.117) 17.864 3.063 ( -11.170 -6.159 16.445) 20.811 4.288 ( -3.021 -2.436 -2.532) 4.634 4.493 ( -16.284 -4.852 -0.095) 16.992 5.048 ( 7.216 -0.701 8.198) 10.944 5.193 ( 0.998 6.670 2.771) 7.291 5.365 ( 2.941 7.601 2.773) 8.609 5.562 ( -0.353 -0.975 11.426) 11.473 6.153 ( -4.667 -11.444 1.670) 12.471 6.448 ( -12.509 1.096 -0.897) 12.589 6.828 ( 16.853 3.101 -3.536) 17.497 7.010 ( 2.306 -1.652 -2.667) 3.894 7.756 ( 1.569 -3.820 -5.145) 6.598 7.871 ( 6.399 3.665 -5.790) 9.376 8.023 ( -2.238 3.418 -4.104) 5.790 8.318 ( 2.561 4.155 -6.285) 7.958 8.545 ( -0.414 -0.103 -3.304) 3.332 8.667 ( -5.924 -1.193 -2.654) 6.600 9.113 ( 3.163 5.311 -3.453) 7.080 22.546 ( 1.341 0.524 2.001) 2.465 22.683 ( -0.580 0.362 2.148) 2.254 22.809 ( 1.634 -1.172 4.488) 4.918 31.390 ( -1.596 -0.377 -0.676) 1.774 31.572 ( 1.520 0.764 -1.901) 2.551 31.649 ( -0.247 -0.519 -1.347) 1.465 40.473 ( 0.902 1.348 -1.562) 2.252 40.540 ( 1.232 1.034 -1.855) 2.456 40.721 ( -0.031 -0.587 0.387) 0.704 41.353 ( -0.288 -1.163 2.647) 2.906 41.550 ( 1.153 0.283 -0.257) 1.215 41.752 ( -0.706 -0.509 -0.887) 1.242 47.058 ( 5.967 -5.665 5.037) 9.647 47.385 ( -2.069 -1.204 0.146) 2.398 49.146 ( -15.083 4.231 -34.879) 38.236 87.556 ( 0.287 -0.000 0.717) 0.772 87.565 ( 0.041 0.166 0.542) 0.568 87.572 ( 0.102 -0.056 0.374) 0.392======================= Grid point 477 (171/288) =======================q-point: (-0.21 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.798 ( -14.380 5.372 14.591) 21.179 2.246 ( -15.705 -3.696 18.048) 24.208 3.119 ( 15.086 6.173 10.059) 19.154 3.365 ( -6.776 -4.117 25.396) 26.605 4.205 ( -3.089 -3.794 -2.808) 5.641 4.367 ( -14.937 -3.371 0.447) 15.320 5.006 ( 0.433 7.786 -9.654) 12.410 5.370 ( 0.525 -1.068 7.805) 7.895 5.496 ( 2.272 0.017 7.245) 7.593 5.780 ( 1.668 3.273 9.122) 9.834 6.140 ( -0.872 -8.612 4.618) 9.811 6.351 ( -11.455 0.939 -0.975) 11.535 6.849 ( 13.590 -0.860 -5.630) 14.736 7.014 ( 5.038 3.661 0.178) 6.230 7.669 ( 2.129 -3.100 -3.960) 5.461 7.799 ( 6.823 2.140 -9.613) 11.981 7.929 ( -2.150 1.419 -5.273) 5.868 8.254 ( -0.777 3.502 -4.125) 5.467 8.498 ( 0.074 -1.194 -1.810) 2.169 8.571 ( -5.339 0.420 -1.671) 5.610 9.129 ( -1.211 4.550 1.917) 5.084 22.600 ( 1.278 0.632 2.768) 3.114 22.715 ( -1.338 -0.722 2.379) 2.823 22.891 ( 3.308 -0.055 2.647) 4.238 31.366 ( -1.358 -0.202 -0.701) 1.542 31.546 ( 1.282 0.714 -2.366) 2.784 31.616 ( -0.310 -0.623 -1.815) 1.944 40.456 ( 1.141 1.459 -1.684) 2.503 40.520 ( 1.432 1.363 -1.783) 2.662 40.723 ( 0.515 -0.579 -0.257) 0.817 41.394 ( 0.738 -0.825 2.139) 2.408 41.549 ( 0.869 0.068 -0.760) 1.157 41.719 ( -1.352 -0.729 -1.811) 2.375 47.164 ( 4.644 -4.502 4.886) 8.106 47.333 ( -0.925 -8.922 -2.464) 9.302 48.475 ( -20.642 9.903 -27.714) 35.948 87.566 ( 0.089 -0.111 0.328) 0.358 87.575 ( -0.065 0.174 0.518) 0.551 87.588 ( 0.641 0.123 1.002) 1.196======================= Grid point 478 (172/288) =======================q-point: (-0.14 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( -7.776 6.589 15.157) 18.265 2.465 ( -11.674 -4.009 18.771) 22.465 3.415 ( 12.752 6.743 9.179) 17.098 3.757 ( -2.020 -2.343 20.202) 20.437 4.144 ( -1.039 -3.400 0.437) 3.582 4.305 ( -11.823 -2.276 4.986) 13.031 4.880 ( 2.394 9.268 -8.592) 12.863 5.397 ( -7.140 -2.400 0.870) 7.583 5.633 ( 2.908 -0.368 4.271) 5.180 5.865 ( -0.093 -2.462 1.143) 2.716 6.208 ( -5.341 -1.085 2.227) 5.887 6.310 ( -0.386 1.497 3.597) 3.915 6.846 ( 11.815 -4.174 -2.557) 12.789 7.093 ( 4.851 7.496 1.731) 9.095 7.592 ( 5.497 -3.099 -9.145) 11.111 7.657 ( 3.486 -1.230 -7.600) 8.452 7.839 ( -2.538 -0.057 -3.242) 4.118 8.157 ( -10.030 2.512 -4.104) 11.125 8.482 ( 0.629 -2.311 0.798) 2.524 8.558 ( -0.906 1.111 1.251) 1.903 9.199 ( -0.545 4.406 4.885) 6.601 22.663 ( 1.043 0.672 3.069) 3.310 22.745 ( -1.525 -1.071 2.445) 3.074 22.939 ( 3.084 0.261 0.228) 3.104 31.346 ( -1.078 -0.053 -0.483) 1.183 31.513 ( 1.127 0.610 -2.432) 2.749 31.578 ( -0.408 -0.608 -1.866) 2.005 40.442 ( 1.449 1.355 -1.500) 2.487 40.508 ( 1.721 1.815 -1.490) 2.912 40.709 ( 0.092 -1.114 -1.285) 1.703 41.428 ( 1.242 -0.590 1.272) 1.873 41.537 ( 0.597 0.171 -1.125) 1.285 41.668 ( -2.034 -0.926 -2.151) 3.102 47.192 ( -1.786 -8.721 -3.743) 9.657 47.283 ( 3.700 -6.869 3.196) 8.431 48.020 ( -16.629 13.451 -14.049) 25.589 87.571 ( 0.100 -0.067 0.281) 0.306 87.584 ( -0.122 0.125 0.536) 0.564 87.610 ( 0.722 0.150 0.889) 1.155======================= Grid point 485 (173/288) =======================q-point: ( 0.36 -0.64 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.434 ( -0.000 2.657 -13.736) 13.991 2.600 ( 0.000 -18.049 -13.889) 22.774 2.847 ( -0.000 -0.738 -19.433) 19.447 3.028 ( 0.000 -1.566 5.561) 5.777 4.363 ( 0.000 -2.524 0.913) 2.684 4.712 ( -0.000 8.145 -6.934) 10.697 4.899 ( 0.000 -5.022 -9.451) 10.703 5.168 ( -0.000 7.678 -13.034) 15.127 5.705 ( -0.000 0.419 -3.358) 3.384 5.732 ( -0.000 -3.885 -16.348) 16.803 6.145 ( 0.000 -3.473 6.298) 7.192 6.405 ( -0.000 4.898 9.464) 10.656 6.654 ( 0.000 -8.267 0.429) 8.278 6.978 ( -0.000 1.226 1.376) 1.843 7.368 ( 0.000 1.812 6.156) 6.417 8.061 ( 0.000 -9.123 6.864) 11.417 8.107 ( -0.000 6.632 7.230) 9.811 8.364 ( 0.000 1.795 13.648) 13.766 8.596 ( 0.000 -2.126 3.844) 4.393 8.726 ( -0.000 3.197 1.724) 3.632 9.317 ( 0.000 -5.538 -14.258) 15.296 22.578 ( 0.000 -2.464 -2.803) 3.732 22.682 ( -0.000 0.968 -1.259) 1.588 22.699 ( -0.000 1.911 -3.014) 3.569 31.469 ( 0.000 -1.300 0.552) 1.412 31.534 ( -0.000 0.581 0.843) 1.024 31.613 ( 0.000 0.688 2.427) 2.523 40.534 ( 0.000 -0.564 -0.838) 1.010 40.549 ( 0.000 -0.082 0.564) 0.570 40.721 ( 0.000 -1.035 1.892) 2.157 41.342 ( 0.000 -1.153 -0.677) 1.337 41.450 ( -0.000 2.822 0.285) 2.836 41.748 ( 0.000 -0.003 1.356) 1.356 46.769 ( 0.000 -1.807 -0.707) 1.941 47.029 ( -0.000 10.909 4.954) 11.981 50.021 ( 0.000 -9.947 16.929) 19.635 87.548 ( -0.000 -0.029 -0.604) 0.605 87.554 ( -0.000 0.264 -0.377) 0.460 87.580 ( 0.000 -0.154 -0.474) 0.499======================= Grid point 487 (174/288) =======================q-point: (-0.57 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.207 ( -6.760 -11.063 -12.148) 17.767 2.280 ( 4.285 -2.450 -11.404) 12.427 2.595 ( -5.513 -6.732 -6.665) 10.960 3.113 ( -1.101 -0.852 4.155) 4.382 4.372 ( -0.703 -0.141 1.060) 1.279 4.485 ( 1.903 0.067 -13.475) 13.609 4.871 ( -0.917 3.241 0.781) 3.458 4.999 ( 0.699 9.246 -9.224) 13.079 5.477 ( -0.372 -3.979 -9.872) 10.651 5.633 ( 0.354 4.234 -5.912) 7.280 6.234 ( 1.440 -5.760 5.151) 7.860 6.555 ( -4.605 1.748 5.828) 7.630 6.643 ( -1.780 -4.523 3.400) 5.932 7.015 ( 0.570 -0.632 2.158) 2.320 7.479 ( 4.042 2.339 3.893) 6.080 8.097 ( -0.686 -8.958 1.948) 9.193 8.239 ( -0.047 3.063 4.719) 5.626 8.518 ( -1.401 2.557 2.973) 4.164 8.650 ( -0.456 -1.830 2.617) 3.226 8.787 ( -3.921 2.624 3.152) 5.674 9.051 ( 7.152 -2.222 -13.481) 15.422 22.525 ( 0.075 -1.606 -2.146) 2.682 22.653 ( -1.492 1.721 -1.562) 2.762 22.683 ( 1.336 0.135 -0.077) 1.345 31.468 ( -0.948 -1.056 0.235) 1.438 31.550 ( 0.925 0.693 0.305) 1.196 31.651 ( -0.026 0.334 1.633) 1.667 40.515 ( 0.059 -0.263 -1.076) 1.109 40.556 ( 0.019 0.696 -0.032) 0.697 40.741 ( -0.128 -1.506 0.989) 1.806 41.330 ( -0.552 -1.437 0.052) 1.541 41.472 ( 0.672 2.476 0.658) 2.648 41.766 ( -0.011 -0.165 0.726) 0.745 46.768 ( 1.601 -3.581 1.182) 4.097 47.170 ( -0.414 12.197 5.663) 13.454 50.190 ( -1.310 -8.316 6.120) 10.408 87.539 ( 0.039 -0.085 -0.348) 0.360 87.550 ( 0.024 0.295 -0.183) 0.348 87.573 ( -0.030 -0.149 -0.214) 0.263======================= Grid point 488 (175/288) =======================q-point: (-0.50 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -9.521 -18.406 -3.903) 21.087 2.199 ( 0.369 3.896 -1.832) 4.321 2.474 ( -7.678 -4.698 0.963) 9.053 3.130 ( -3.429 -1.223 -0.167) 3.644 4.372 ( 2.831 -0.558 0.472) 2.924 4.398 ( 1.610 -0.484 1.101) 2.009 4.869 ( -3.014 3.760 -0.738) 4.875 4.946 ( 1.501 10.078 -1.900) 10.365 5.361 ( -0.617 -4.069 -0.938) 4.221 5.537 ( 0.419 7.446 -7.688) 10.711 6.295 ( 1.230 -7.944 3.379) 8.720 6.564 ( -6.928 -5.447 3.080) 9.336 6.705 ( -2.160 3.463 2.663) 4.873 7.044 ( -0.337 -2.545 1.337) 2.894 7.578 ( 8.157 2.307 1.559) 8.619 8.064 ( -0.557 -5.695 -2.025) 6.070 8.248 ( -3.121 -0.138 -3.937) 5.026 8.510 ( -0.791 3.768 -3.936) 5.506 8.657 ( -0.726 -1.003 0.090) 1.241 8.733 ( -5.401 0.947 -1.469) 5.677 9.010 ( 12.964 3.346 -3.672) 13.883 22.495 ( 0.386 -0.715 -0.787) 1.131 22.634 ( -0.879 1.998 -0.295) 2.202 22.703 ( 0.290 -1.381 1.900) 2.367 31.457 ( -1.474 -0.777 -0.166) 1.674 31.561 ( 1.449 0.720 -0.349) 1.655 31.671 ( -0.072 -0.002 0.579) 0.584 40.497 ( 0.220 0.344 -1.087) 1.161 40.553 ( 0.344 1.181 -0.774) 1.454 40.743 ( -0.437 -1.616 0.205) 1.687 41.327 ( -1.063 -1.657 0.917) 2.172 41.499 ( 1.070 1.742 0.696) 2.159 41.773 ( -0.130 -0.348 0.264) 0.456 46.806 ( 3.213 -5.110 3.130) 6.800 47.305 ( -1.176 10.709 4.765) 11.780 50.139 ( -1.272 -4.564 -8.447) 9.685 87.536 ( 0.020 -0.099 0.024) 0.104 87.550 ( 0.058 0.256 0.077) 0.273 87.570 ( -0.052 -0.143 -0.033) 0.155======================= Grid point 489 (176/288) =======================q-point: (-0.43 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -12.114 -14.348 6.763) 19.959 2.234 ( -8.931 2.868 7.313) 11.894 2.498 ( -2.625 0.751 6.500) 7.050 3.088 ( -3.026 -2.935 0.688) 4.271 4.379 ( -1.974 -0.994 -0.864) 2.373 4.554 ( 6.428 -1.044 12.558) 14.147 4.832 ( -4.279 0.159 -1.509) 4.540 5.044 ( 0.984 11.815 7.341) 13.945 5.369 ( -1.198 0.499 -0.890) 1.573 5.454 ( 0.238 5.256 -0.926) 5.342 6.292 ( -3.590 -10.909 1.227) 11.550 6.568 ( 1.139 -2.500 1.569) 3.163 6.706 ( -5.624 1.896 -0.606) 5.966 7.031 ( 0.264 -3.357 -1.441) 3.663 7.657 ( 10.794 0.883 -0.906) 10.868 7.948 ( 0.814 -2.478 -9.313) 9.672 8.144 ( -4.361 4.082 -3.289) 6.819 8.408 ( -0.258 4.506 -8.135) 9.303 8.628 ( -0.959 -1.355 -3.015) 3.441 8.743 ( -3.284 0.914 3.650) 4.994 9.024 ( 10.500 4.775 -5.068) 12.599 22.497 ( 0.760 -0.095 0.778) 1.091 22.648 ( -0.362 2.067 1.372) 2.507 22.742 ( -0.158 -2.441 3.218) 4.042 31.437 ( -1.672 -0.520 -0.541) 1.833 31.562 ( 1.637 0.752 -1.082) 2.101 31.671 ( -0.124 -0.328 -0.485) 0.598 40.481 ( 0.322 1.088 -1.224) 1.669 40.542 ( 0.913 1.357 -1.550) 2.253 40.733 ( -0.684 -1.475 -0.044) 1.626 41.336 ( -1.081 -1.711 1.719) 2.656 41.522 ( 1.166 0.966 0.412) 1.569 41.771 ( -0.279 -0.515 -0.110) 0.596 46.880 ( 4.596 -6.224 4.628) 9.015 47.395 ( -1.851 6.353 2.540) 7.088 49.834 ( -3.303 0.592 -23.136) 23.378 87.540 ( 0.078 -0.071 0.466) 0.478 87.555 ( 0.059 0.195 0.335) 0.393 87.569 ( -0.057 -0.128 0.070) 0.157======================= Grid point 490 (177/288) =======================q-point: (-0.36 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( -13.647 -3.851 11.867) 18.491 2.339 ( -16.861 1.634 12.432) 21.012 2.662 ( 7.160 4.327 8.834) 12.167 3.155 ( -2.295 -4.967 11.827) 13.032 4.323 ( -2.267 -1.326 -3.020) 4.002 4.673 ( -9.013 -1.996 -1.620) 9.373 4.937 ( 7.680 -1.794 14.564) 16.562 5.210 ( -3.105 9.952 -1.702) 10.563 5.334 ( 1.783 10.019 5.164) 11.411 5.578 ( -1.382 -2.477 11.522) 11.866 6.222 ( -5.315 -11.452 -0.085) 12.625 6.587 ( -0.674 2.693 -2.111) 3.488 6.651 ( 1.578 -2.265 -1.507) 3.145 6.982 ( 1.445 -3.002 -2.736) 4.311 7.683 ( 10.056 -1.881 -4.360) 11.121 7.789 ( 3.488 2.294 -8.890) 9.821 8.078 ( -4.817 5.547 -4.512) 8.622 8.286 ( 2.093 5.211 -7.088) 9.042 8.551 ( -0.386 -0.924 -3.982) 4.106 8.737 ( -4.342 -0.305 -1.907) 4.753 9.057 ( 4.854 5.485 1.030) 7.397 22.530 ( 1.011 0.261 2.098) 2.343 22.688 ( -0.196 1.494 2.229) 2.691 22.796 ( 0.520 -2.406 3.722) 4.462 31.412 ( -1.661 -0.287 -0.792) 1.863 31.550 ( 1.590 0.779 -1.779) 2.510 31.651 ( -0.169 -0.602 -1.324) 1.464 40.464 ( 0.395 1.646 -1.574) 2.312 40.522 ( 1.325 1.497 -2.124) 2.917 40.725 ( -0.434 -1.221 0.157) 1.305 41.359 ( -0.515 -1.543 2.087) 2.646 41.535 ( 1.054 0.368 -0.056) 1.118 41.760 ( -0.457 -0.697 -0.677) 1.074 46.979 ( 5.466 -6.705 5.427) 10.212 47.414 ( -2.073 -0.248 -0.312) 2.111 49.309 ( -9.288 6.494 -31.299) 33.288 87.552 ( 0.227 -0.041 0.738) 0.773 87.564 ( 0.044 0.146 0.558) 0.579 87.571 ( -0.001 -0.062 0.202) 0.211======================= Grid point 491 (178/288) =======================q-point: (-0.29 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( -14.611 5.685 12.540) 20.077 2.452 ( -14.318 -1.252 12.830) 19.266 2.930 ( 12.206 6.040 11.176) 17.618 3.430 ( -2.651 -4.220 21.708) 22.273 4.238 ( -2.141 -1.853 -4.021) 4.918 4.544 ( -9.711 -3.258 -2.983) 10.669 5.023 ( -3.053 10.409 -9.201) 14.224 5.313 ( 5.736 -0.366 12.330) 13.604 5.509 ( -2.524 1.778 7.780) 8.370 5.783 ( -1.714 2.272 11.078) 11.438 6.163 ( -2.478 -9.160 2.206) 9.743 6.495 ( -7.683 0.295 -3.546) 8.467 6.670 ( 10.074 -1.082 -2.154) 10.358 6.958 ( 3.360 -0.196 -0.299) 3.379 7.624 ( 6.293 -2.334 -6.849) 9.590 7.697 ( 6.284 3.324 -7.691) 10.473 7.953 ( -1.168 2.535 -7.683) 8.174 8.243 ( 1.333 5.180 -2.319) 5.830 8.492 ( 0.548 -0.987 -2.016) 2.310 8.653 ( -5.887 0.223 -2.539) 6.415 9.141 ( -0.393 5.173 3.719) 6.383 22.584 ( 1.084 0.486 2.944) 3.174 22.729 ( -0.749 0.244 2.389) 2.516 22.856 ( 1.819 -1.359 2.818) 3.618 31.386 ( -1.519 -0.078 -0.843) 1.739 31.527 ( 1.419 0.764 -2.270) 2.784 31.619 ( -0.211 -0.764 -1.774) 1.943 40.444 ( 0.635 1.871 -1.816) 2.684 40.499 ( 1.616 1.887 -2.224) 3.334 40.721 ( -0.095 -1.208 0.038) 1.213 41.388 ( 0.233 -1.239 1.859) 2.246 41.537 ( 0.839 0.060 -0.543) 1.001 41.734 ( -0.842 -0.937 -1.473) 1.938 47.090 ( 5.730 -6.478 5.735) 10.377 47.354 ( -1.856 -7.397 -3.166) 8.257 48.717 ( -15.061 12.767 -28.576) 34.733 87.564 ( 0.083 -0.118 0.434) 0.458 87.575 ( 0.045 0.152 0.507) 0.531 87.581 ( 0.374 0.099 0.849) 0.932======================= Grid point 492 (179/288) =======================q-point: (-0.21 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -11.584 8.345 11.083) 18.073 2.611 ( -9.603 -2.615 15.089) 18.075 3.246 ( 11.979 7.227 11.586) 18.165 3.787 ( -2.374 -2.575 19.493) 19.806 4.153 ( -0.596 -2.115 -2.677) 3.463 4.443 ( -7.368 -3.055 0.342) 7.983 4.871 ( -1.458 12.668 -9.902) 16.145 5.463 ( -2.087 -1.120 2.434) 3.396 5.617 ( -1.504 -1.408 6.625) 6.938 5.887 ( -2.667 -0.723 2.342) 3.622 6.215 ( 0.968 -1.608 4.590) 4.959 6.396 ( -8.094 -0.569 -0.759) 8.149 6.690 ( 10.041 -3.887 -1.499) 10.871 7.024 ( 5.231 3.891 3.114) 7.225 7.505 ( 7.594 -1.880 -11.411) 13.835 7.617 ( 2.431 0.637 -5.153) 5.733 7.849 ( 1.019 0.450 -4.299) 4.441 8.230 ( -1.595 3.113 -1.561) 3.830 8.478 ( 0.324 -1.718 0.533) 1.828 8.593 ( -4.461 0.502 -0.158) 4.492 9.219 ( -2.172 5.223 4.098) 6.985 22.649 ( 0.996 0.631 3.262) 3.468 22.763 ( -1.184 -0.648 2.280) 2.650 22.902 ( 2.252 -0.492 1.065) 2.539 31.363 ( -1.291 0.086 -0.649) 1.448 31.497 ( 1.247 0.681 -2.399) 2.788 31.582 ( -0.278 -0.777 -1.797) 1.978 40.425 ( 1.012 1.833 -1.726) 2.714 40.482 ( 2.003 2.400 -1.974) 3.698 40.711 ( -0.311 -1.603 -0.506) 1.710 41.415 ( 0.742 -0.929 1.300) 1.762 41.529 ( 0.598 0.102 -0.922) 1.104 41.691 ( -1.396 -1.169 -1.943) 2.663 47.196 ( 3.352 -8.181 1.989) 9.062 47.239 ( 0.320 -8.916 -1.350) 9.023 48.243 ( -15.638 16.518 -19.009) 29.643 87.570 ( 0.040 -0.086 0.269) 0.286 87.585 ( -0.033 0.154 0.556) 0.578 87.601 ( 0.627 0.147 0.898) 1.105======================= Grid point 493 (180/288) =======================q-point: (-0.14 0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.301 ( -4.894 5.275 9.568) 11.972 2.817 ( -7.322 -1.017 14.532) 16.305 3.532 ( 8.666 7.931 8.790) 14.672 3.960 ( -1.958 -5.809 4.212) 7.437 4.165 ( 0.541 0.844 2.552) 2.742 4.477 ( -1.311 -1.711 8.518) 8.787 4.779 ( 1.876 13.862 -5.720) 15.112 5.430 ( -5.266 -0.784 -1.432) 5.514 5.676 ( -1.595 -0.877 1.907) 2.636 5.882 ( -3.469 -5.203 1.554) 6.444 6.234 ( -0.706 -1.188 -1.948) 2.389 6.374 ( -3.192 5.916 0.866) 6.778 6.743 ( 9.339 -6.202 2.047) 11.396 7.127 ( 3.655 3.317 2.139) 5.379 7.323 ( 6.041 -0.504 -12.922) 14.273 7.548 ( 1.742 -4.057 -3.543) 5.661 7.807 ( -0.398 0.526 -1.496) 1.635 8.175 ( -8.234 2.214 -2.025) 8.764 8.495 ( 0.188 -2.599 1.917) 3.236 8.590 ( -0.726 -0.147 1.332) 1.524 9.310 ( 0.121 5.003 4.943) 7.034 22.715 ( 0.809 0.661 3.079) 3.252 22.789 ( -1.153 -0.869 1.819) 2.322 22.919 ( 1.727 -0.157 -0.469) 1.797 31.347 ( -0.994 0.177 -0.203) 1.030 31.467 ( 1.144 0.547 -2.115) 2.466 31.548 ( -0.396 -0.671 -1.464) 1.659 40.413 ( 1.433 1.458 -1.304) 2.425 40.476 ( 2.312 2.938 -1.534) 4.041 40.686 ( -1.078 -2.207 -0.963) 2.638 41.436 ( 0.939 -0.691 0.795) 1.411 41.515 ( 0.401 0.476 -1.118) 1.279 41.642 ( -1.779 -1.319 -1.624) 2.746 47.071 ( -1.145 -10.720 -5.101) 11.927 47.322 ( 2.448 -2.917 4.436) 5.847 47.970 ( -10.168 13.885 -8.497) 19.193 87.575 ( 0.102 -0.035 0.229) 0.253 87.594 ( -0.127 0.152 0.463) 0.504 87.620 ( 0.652 0.136 0.636) 0.921======================= Grid point 501 (181/288) =======================q-point: ( 0.43 -0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( 0.000 -19.230 -3.782) 19.598 2.173 ( -0.000 5.482 -2.320) 5.953 2.547 ( 0.000 -6.668 2.504) 7.123 3.149 ( -0.000 -0.198 -1.094) 1.112 4.339 ( 0.000 -1.319 -0.134) 1.326 4.399 ( 0.000 -0.034 1.324) 1.324 4.896 ( -0.000 5.287 -0.845) 5.354 4.928 ( -0.000 11.052 -2.124) 11.255 5.366 ( 0.000 -4.061 -0.814) 4.142 5.534 ( -0.000 7.815 -7.727) 10.990 6.278 ( 0.000 -6.497 3.262) 7.269 6.665 ( 0.000 -10.048 3.292) 10.573 6.677 ( -0.000 4.848 2.371) 5.396 7.054 ( 0.000 -1.962 2.351) 3.062 7.514 ( -0.000 1.921 0.782) 2.074 8.069 ( 0.000 -6.045 -2.291) 6.465 8.269 ( -0.000 -0.251 -3.262) 3.272 8.516 ( -0.000 4.219 -4.129) 5.903 8.662 ( 0.000 -0.861 -0.156) 0.875 8.809 ( -0.000 1.370 -6.522) 6.664 8.881 ( -0.000 2.828 1.256) 3.095 22.492 ( 0.000 -0.928 -0.818) 1.237 22.641 ( -0.000 2.286 -0.696) 2.389 22.701 ( 0.000 -1.442 2.268) 2.688 31.468 ( 0.000 -0.852 -0.186) 0.872 31.550 ( -0.000 0.793 -0.331) 0.859 31.672 ( 0.000 0.006 0.584) 0.584 40.495 ( -0.000 0.273 -1.079) 1.112 40.551 ( -0.000 1.318 -0.945) 1.622 40.746 ( 0.000 -1.729 0.294) 1.754 41.334 ( 0.000 -1.837 0.912) 2.051 41.491 ( -0.000 1.952 0.724) 2.082 41.774 ( 0.000 -0.367 0.304) 0.477 46.783 ( 0.000 -5.175 3.101) 6.033 47.313 ( -0.000 11.089 4.793) 12.080 50.148 ( 0.000 -4.859 -8.485) 9.778 87.536 ( 0.000 -0.115 0.033) 0.120 87.550 ( -0.000 0.276 0.074) 0.286 87.570 ( 0.000 -0.149 -0.035) 0.153======================= Grid point 503 (182/288) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.944 ( -5.690 -15.350 6.739) 17.704 2.222 ( 3.763 5.930 3.806) 7.988 2.634 ( -9.182 -4.064 12.411) 15.965 3.087 ( 1.680 -0.619 -4.453) 4.800 4.400 ( -0.996 -0.984 -0.785) 1.605 4.478 ( 3.495 -0.836 13.356) 13.831 4.874 ( -1.575 3.552 -2.842) 4.814 5.031 ( 0.721 12.275 8.090) 14.719 5.398 ( -2.692 0.558 1.211) 3.005 5.437 ( 2.194 6.232 -2.533) 7.076 6.298 ( 0.916 -6.768 1.427) 6.977 6.627 ( -7.947 -5.639 0.027) 9.744 6.721 ( 4.178 -2.236 -0.483) 4.763 7.059 ( -3.167 -3.501 0.229) 4.726 7.528 ( 6.441 0.969 -2.130) 6.853 7.940 ( 0.314 -2.266 -10.268) 10.520 8.187 ( -1.804 4.105 -3.145) 5.477 8.415 ( -0.495 5.616 -9.257) 10.839 8.636 ( -0.331 -1.866 -3.051) 3.591 8.794 ( -4.253 2.746 3.980) 6.439 8.897 ( 7.517 2.955 -2.543) 8.468 22.490 ( 0.265 -0.360 0.781) 0.900 22.652 ( -0.191 2.373 1.008) 2.586 22.743 ( -0.006 -2.476 3.208) 4.053 31.455 ( -0.834 -0.550 -0.603) 1.167 31.544 ( 0.821 0.798 -1.015) 1.530 31.672 ( -0.043 -0.336 -0.478) 0.585 40.479 ( 0.067 1.065 -1.130) 1.554 40.533 ( 0.366 1.606 -1.822) 2.456 40.740 ( -0.256 -1.685 -0.058) 1.706 41.347 ( -0.435 -1.946 1.484) 2.486 41.510 ( 0.472 1.177 0.521) 1.371 41.774 ( -0.099 -0.594 -0.062) 0.605 46.836 ( 1.694 -6.306 4.660) 8.022 47.413 ( -0.695 6.797 2.455) 7.260 49.863 ( -1.098 0.537 -21.634) 21.669 87.540 ( 0.027 -0.105 0.420) 0.434 87.555 ( 0.020 0.225 0.349) 0.416 87.570 ( -0.021 -0.139 0.058) 0.152======================= Grid point 504 (183/288) =======================q-point: (-0.43 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( -9.334 -5.155 12.095) 16.124 2.392 ( 5.671 5.726 8.496) 11.711 2.753 ( -16.972 -0.091 9.638) 19.518 3.125 ( 6.735 -3.780 9.445) 12.201 4.350 ( -1.635 -1.005 -3.061) 3.613 4.717 ( 1.545 2.166 0.348) 2.684 4.878 ( 0.877 -1.728 12.471) 12.620 5.260 ( -3.438 11.557 2.595) 12.334 5.317 ( 0.728 11.806 1.972) 11.992 5.587 ( 0.168 -3.807 12.567) 13.132 6.279 ( -2.342 -7.751 -0.220) 8.100 6.530 ( 0.485 -3.015 -5.224) 6.051 6.710 ( -0.929 -5.125 -0.052) 5.209 6.999 ( -4.653 -2.612 -1.948) 5.681 7.529 ( 11.046 -0.760 -4.810) 12.072 7.759 ( 1.472 2.685 -9.693) 10.165 8.144 ( -4.828 6.600 -4.994) 9.582 8.257 ( 2.511 5.943 -8.797) 10.910 8.555 ( -0.179 -1.802 -4.394) 4.753 8.785 ( -2.657 0.427 -2.381) 3.593 8.994 ( 3.923 4.753 5.936) 8.557 22.519 ( 0.544 0.040 2.169) 2.236 22.689 ( -0.090 2.180 2.096) 3.025 22.792 ( 0.139 -2.946 3.399) 4.500 31.433 ( -1.290 -0.239 -0.897) 1.589 31.530 ( 1.248 0.789 -1.667) 2.227 31.653 ( -0.086 -0.647 -1.316) 1.468 40.462 ( -0.011 1.851 -1.487) 2.374 40.506 ( 0.952 1.763 -2.376) 3.108 40.730 ( -0.335 -1.559 0.012) 1.595 41.365 ( -0.384 -1.791 1.694) 2.495 41.523 ( 0.658 0.487 0.123) 0.828 41.765 ( -0.229 -0.862 -0.576) 1.062 46.919 ( 3.178 -6.899 5.607) 9.441 47.437 ( -1.242 0.207 -0.587) 1.389 49.401 ( -4.431 7.257 -28.988) 30.209 87.550 ( 0.121 -0.074 0.712) 0.726 87.564 ( 0.024 0.131 0.545) 0.561 87.571 ( -0.015 -0.048 0.152) 0.160======================= Grid point 505 (184/288) =======================q-point: (-0.36 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.180 ( -12.087 4.658 12.756) 18.180 2.586 ( -2.148 2.764 8.091) 8.815 2.832 ( -0.565 3.315 9.505) 10.082 3.438 ( 1.250 -4.024 21.834) 22.237 4.267 ( -2.206 -1.049 -4.276) 4.924 4.614 ( -1.135 0.252 -7.567) 7.656 5.074 ( -3.225 11.280 -6.127) 13.235 5.257 ( 1.474 0.838 12.458) 12.573 5.538 ( -1.485 3.891 9.978) 10.812 5.813 ( -2.057 0.440 12.630) 12.804 6.208 ( -4.250 -7.941 -0.145) 9.008 6.457 ( 8.121 -2.521 -4.969) 9.849 6.678 ( -5.370 -3.160 0.814) 6.284 6.934 ( -0.849 -1.305 -1.574) 2.214 7.491 ( 11.505 -1.911 -7.763) 14.010 7.646 ( 2.398 5.258 -6.445) 8.656 7.966 ( -0.977 3.564 -11.407) 11.991 8.228 ( 0.898 5.763 -1.277) 5.971 8.486 ( 0.374 -1.546 -2.314) 2.808 8.719 ( -3.753 0.560 -2.378) 4.478 9.141 ( 0.260 4.913 6.275) 7.974 22.572 ( 0.721 0.327 3.079) 3.179 22.736 ( -0.240 1.407 2.313) 2.718 22.840 ( 0.710 -2.517 2.839) 3.860 31.406 ( -1.428 0.035 -0.982) 1.734 31.508 ( 1.349 0.769 -2.155) 2.656 31.622 ( -0.123 -0.859 -1.756) 1.958 40.440 ( 0.043 2.244 -1.915) 2.950 40.478 ( 1.443 2.164 -2.478) 3.593 40.724 ( -0.242 -1.557 0.106) 1.579 41.386 ( 0.018 -1.469 1.554) 2.138 41.527 ( 0.627 0.079 -0.329) 0.712 41.742 ( -0.463 -1.178 -1.248) 1.778 47.020 ( 4.290 -6.979 6.014) 10.162 47.378 ( -1.497 -6.675 -3.495) 7.681 48.880 ( -8.954 13.967 -28.167) 32.689 87.563 ( 0.065 -0.096 0.620) 0.631 87.573 ( 0.217 -0.063 0.420) 0.477 87.578 ( 0.026 0.260 0.679) 0.728======================= Grid point 506 (185/288) =======================q-point: (-0.29 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.315 ( -12.903 8.662 8.571) 17.748 2.713 ( -4.920 -0.833 10.777) 11.876 3.101 ( 8.924 7.046 12.953) 17.236 3.817 ( -1.982 -2.321 20.902) 21.124 4.167 ( -1.727 -1.485 -4.383) 4.939 4.487 ( 0.504 -0.447 -5.531) 5.571 4.916 ( -4.359 14.473 -11.127) 18.769 5.471 ( -0.358 -1.358 7.028) 7.167 5.664 ( -4.139 -0.627 6.653) 7.861 5.920 ( -1.596 0.508 1.233) 2.080 6.216 ( -1.431 -2.972 3.465) 4.784 6.447 ( 2.341 -3.855 1.863) 4.880 6.634 ( -3.401 -2.573 -0.979) 4.375 6.955 ( 4.885 1.129 2.668) 5.680 7.388 ( 9.457 -2.135 -10.851) 14.551 7.590 ( 1.743 4.148 -4.314) 6.234 7.820 ( 2.793 1.206 -6.133) 6.846 8.233 ( 0.432 2.843 -0.691) 2.958 8.471 ( 0.678 -1.705 0.728) 1.974 8.660 ( -4.747 0.616 -1.242) 4.945 9.250 ( -2.219 5.165 4.694) 7.324 22.637 ( 0.770 0.547 3.426) 3.554 22.775 ( -0.572 0.360 2.026) 2.136 22.879 ( 1.158 -1.574 1.673) 2.572 31.381 ( -1.361 0.239 -0.821) 1.608 31.480 ( 1.290 0.703 -2.322) 2.748 31.585 ( -0.167 -0.918 -1.752) 1.985 40.415 ( 0.444 2.274 -1.938) 3.021 40.456 ( 1.790 2.706 -2.264) 3.957 40.716 ( -0.372 -1.825 -0.109) 1.865 41.408 ( 0.418 -1.088 1.209) 1.679 41.521 ( 0.495 0.031 -0.721) 0.875 41.706 ( -0.867 -1.478 -1.701) 2.415 47.131 ( 4.862 -7.337 5.544) 10.402 47.255 ( -1.484 -9.909 -4.625) 11.036 48.428 ( -11.427 17.845 -21.435) 30.141 87.570 ( -0.044 -0.090 0.272) 0.290 87.584 ( 0.218 0.071 0.593) 0.636 87.595 ( 0.297 0.244 0.843) 0.927======================= Grid point 507 (186/288) =======================q-point: (-0.21 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.392 ( -8.276 5.673 5.710) 11.545 2.895 ( -4.067 0.562 12.171) 12.844 3.415 ( 8.477 8.561 11.447) 16.619 3.998 ( -3.768 -3.892 1.009) 5.510 4.163 ( -0.288 0.146 5.408) 5.418 4.462 ( 3.386 0.411 2.572) 4.272 4.777 ( -1.001 15.079 -8.117) 17.154 5.483 ( -3.442 -0.577 -1.944) 3.995 5.721 ( -4.323 -0.624 3.149) 5.384 5.931 ( -2.344 -3.387 2.609) 4.876 6.200 ( 2.804 -1.238 -3.712) 4.814 6.464 ( -7.842 2.227 0.026) 8.152 6.647 ( 4.520 -6.147 5.087) 9.170 7.068 ( 5.158 1.810 4.000) 6.774 7.233 ( 7.074 -1.664 -11.507) 13.610 7.533 ( 0.489 -0.773 -3.577) 3.692 7.787 ( 3.156 1.346 -1.373) 3.695 8.231 ( -0.770 0.817 -0.341) 1.174 8.494 ( 0.205 -2.473 2.123) 3.265 8.620 ( -3.595 0.033 -0.098) 3.596 9.326 ( -2.183 5.343 3.520) 6.760 22.704 ( 0.715 0.668 3.235) 3.379 22.802 ( -0.670 -0.268 1.371) 1.550 22.900 ( 1.006 -0.880 0.446) 1.409 31.362 ( -1.141 0.332 -0.425) 1.262 31.451 ( 1.187 0.597 -2.070) 2.460 31.552 ( -0.249 -0.835 -1.386) 1.637 40.397 ( 0.893 2.024 -1.550) 2.701 40.445 ( 2.166 3.192 -1.735) 4.230 40.699 ( -0.886 -2.287 -0.416) 2.487 41.426 ( 0.602 -0.733 0.876) 1.291 41.509 ( 0.376 0.313 -0.979) 1.094 41.663 ( -1.275 -1.682 -1.520) 2.601 47.089 ( -1.371 -11.171 -4.645) 12.176 47.270 ( 4.566 -4.439 5.767) 8.591 48.112 ( -10.201 16.575 -13.564) 23.723 87.574 ( 0.017 -0.020 0.208) 0.209 87.595 ( 0.046 0.124 0.489) 0.506 87.612 ( 0.477 0.226 0.673) 0.855======================= Grid point 508 (187/288) =======================q-point: (-0.14 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( -2.337 1.924 4.207) 5.183 3.060 ( -3.634 1.352 8.329) 9.187 3.653 ( 5.247 8.506 5.862) 11.586 3.967 ( 0.832 -5.473 0.379) 5.549 4.195 ( -1.078 0.301 -0.248) 1.146 4.583 ( 4.108 4.283 4.310) 7.334 4.762 ( 3.707 13.133 -0.656) 13.662 5.410 ( -1.855 0.137 -2.927) 3.468 5.729 ( -4.700 -2.140 2.188) 5.609 5.931 ( -5.937 -6.005 2.597) 8.834 6.152 ( 4.978 -0.734 -4.264) 6.595 6.422 ( -3.321 6.769 -0.750) 7.577 6.744 ( 2.550 -5.874 4.266) 7.694 7.071 ( 3.472 -2.467 -7.803) 8.890 7.146 ( 2.491 -0.680 -0.743) 2.687 7.481 ( 0.817 -0.922 -1.725) 2.119 7.793 ( 0.570 1.205 -0.463) 1.411 8.207 ( -5.456 0.165 -0.440) 5.476 8.519 ( -0.384 -2.583 1.571) 3.048 8.608 ( -0.557 -1.092 0.542) 1.340 9.398 ( 1.089 4.687 3.034) 5.689 22.763 ( 0.566 0.585 2.526) 2.654 22.812 ( -0.364 -0.202 0.322) 0.526 22.902 ( 0.337 -0.660 -0.382) 0.834 31.354 ( -0.753 0.263 0.129) 0.808 31.429 ( 1.046 0.525 -1.414) 1.836 31.528 ( -0.388 -0.677 -0.795) 1.114 40.390 ( 1.287 1.510 -0.818) 2.146 40.450 ( 2.380 3.581 -0.979) 4.410 40.673 ( -1.594 -2.713 -0.460) 3.180 41.440 ( 0.545 -0.531 0.529) 0.927 41.497 ( 0.350 0.805 -0.862) 1.230 41.625 ( -1.492 -1.750 -0.818) 2.441 46.969 ( -1.799 -8.217 -3.050) 8.948 47.368 ( 1.287 -1.680 2.920) 3.606 47.952 ( -3.546 10.659 -4.296) 12.027 87.577 ( 0.077 0.010 0.130) 0.152 87.603 ( -0.072 0.158 0.275) 0.325 87.625 ( 0.483 0.200 0.325) 0.615======================= Grid point 517 (188/288) =======================q-point: (-0.50 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.098 ( 0.000 -6.788 12.721) 14.418 2.335 ( 0.000 7.412 7.547) 10.578 2.977 ( 0.000 -0.178 -5.022) 5.025 2.979 ( -0.000 -4.142 22.691) 23.066 4.362 ( 0.000 -1.016 -2.987) 3.155 4.696 ( 0.000 3.003 3.367) 4.512 4.878 ( 0.000 -0.569 8.995) 9.013 5.284 ( 0.000 10.799 14.023) 17.699 5.315 ( 0.000 14.429 -9.118) 17.069 5.582 ( 0.000 -5.041 13.366) 14.286 6.290 ( 0.000 -5.557 0.765) 5.610 6.551 ( 0.000 -2.925 -9.741) 10.171 6.694 ( 0.000 -10.056 2.765) 10.429 7.053 ( 0.000 -1.905 -1.402) 2.365 7.438 ( 0.000 -0.339 -5.192) 5.203 7.748 ( 0.000 3.135 -10.015) 10.494 8.193 ( 0.000 7.254 -0.340) 7.262 8.225 ( 0.000 6.010 -14.461) 15.661 8.556 ( 0.000 -2.202 -4.506) 5.015 8.804 ( 0.000 0.790 -3.416) 3.506 8.965 ( 0.000 4.249 8.765) 9.740 22.516 ( 0.000 -0.046 2.195) 2.196 22.690 ( 0.000 2.394 2.007) 3.124 22.791 ( 0.000 -3.079 3.330) 4.535 31.442 ( -0.000 -0.243 -0.941) 0.972 31.521 ( 0.000 0.812 -1.620) 1.812 31.654 ( 0.000 -0.661 -1.314) 1.471 40.463 ( 0.000 1.924 -1.385) 2.371 40.499 ( -0.000 1.849 -2.532) 3.135 40.733 ( 0.000 -1.665 -0.037) 1.665 41.368 ( 0.000 -1.889 1.548) 2.442 41.519 ( 0.000 0.548 0.199) 0.583 41.766 ( 0.000 -0.926 -0.547) 1.075 46.897 ( 0.000 -6.898 5.662) 8.924 47.446 ( 0.000 0.340 -0.680) 0.760 49.431 ( -0.000 7.429 -28.209) 29.171 87.549 ( 0.000 -0.086 0.698) 0.703 87.563 ( 0.000 0.127 0.538) 0.553 87.571 ( 0.000 -0.042 0.142) 0.148======================= Grid point 519 (189/288) =======================q-point: (-0.43 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.316 ( -7.085 2.931 14.445) 16.354 2.533 ( 5.510 6.986 8.423) 12.252 2.905 ( -5.206 0.052 1.368) 5.383 3.411 ( 1.850 -3.576 25.115) 25.436 4.293 ( -1.220 -0.789 -3.940) 4.199 4.606 ( 1.081 3.147 -9.863) 10.409 5.091 ( -0.018 10.050 -0.797) 10.082 5.268 ( -1.548 3.919 7.910) 8.963 5.549 ( -0.214 4.687 11.177) 12.121 5.829 ( -0.386 -0.939 14.117) 14.154 6.270 ( -4.117 -5.527 -0.199) 6.895 6.371 ( 4.191 -5.175 -6.429) 9.257 6.707 ( 0.205 -7.047 2.390) 7.444 6.987 ( -4.789 -0.095 -3.570) 5.974 7.352 ( 7.276 -1.639 -6.994) 10.224 7.623 ( 0.972 6.436 -6.719) 9.354 7.978 ( -0.584 4.188 -14.043) 14.666 8.219 ( 0.410 6.102 -0.422) 6.130 8.482 ( 0.121 -2.032 -2.439) 3.177 8.753 ( -1.272 0.771 -2.235) 2.685 9.137 ( 0.205 4.504 8.047) 9.224 22.565 ( 0.253 0.228 3.153) 3.172 22.737 ( -0.035 2.089 2.210) 3.041 22.835 ( 0.160 -3.121 2.868) 4.241 31.421 ( -0.715 0.098 -1.064) 1.286 31.493 ( 0.686 0.766 -2.080) 2.320 31.623 ( -0.040 -0.906 -1.750) 1.971 40.442 ( -0.304 2.569 -1.877) 3.196 40.462 ( 0.819 2.171 -2.679) 3.544 40.726 ( -0.111 -1.707 0.098) 1.714 41.387 ( -0.017 -1.584 1.359) 2.087 41.521 ( 0.236 0.104 -0.190) 0.320 41.746 ( -0.149 -1.328 -1.138) 1.755 46.980 ( 1.567 -7.018 6.127) 9.447 47.392 ( -0.558 -6.403 -3.666) 7.399 48.960 ( -2.958 14.393 -27.715) 31.369 87.563 ( 0.027 -0.070 0.795) 0.799 87.571 ( 0.084 -0.150 0.242) 0.297 87.578 ( -0.007 0.307 0.639) 0.709======================= Grid point 520 (190/288) =======================q-point: (-0.36 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.485 ( -11.950 7.820 7.927) 16.334 2.725 ( 3.585 2.739 8.404) 9.538 3.020 ( 2.836 4.738 11.502) 12.758 3.839 ( -1.098 -2.184 23.295) 23.423 4.200 ( -2.882 -0.731 -4.633) 5.505 4.451 ( 3.875 2.606 -9.654) 10.724 4.964 ( -2.361 15.984 -12.764) 20.590 5.488 ( -1.965 -1.661 11.131) 11.424 5.706 ( -1.676 0.593 6.493) 6.732 5.928 ( 0.023 -0.721 -2.730) 2.824 6.254 ( -3.609 -4.231 3.020) 6.328 6.392 ( 3.861 -4.698 7.791) 9.884 6.711 ( -5.174 -2.767 0.221) 5.872 6.904 ( 1.850 -0.154 -1.696) 2.515 7.262 ( 8.460 -2.407 -8.675) 12.354 7.568 ( 1.362 7.113 -3.790) 8.174 7.788 ( 1.663 1.425 -8.285) 8.570 8.227 ( 0.312 2.694 -0.750) 2.813 8.463 ( 0.391 -1.935 0.840) 2.145 8.710 ( -2.581 0.749 -1.533) 3.094 9.275 ( -1.279 4.785 5.711) 7.560 22.629 ( 0.417 0.469 3.536) 3.592 22.780 ( -0.119 1.404 1.763) 2.257 22.869 ( 0.360 -2.574 2.082) 3.330 31.398 ( -1.117 0.382 -0.939) 1.509 31.463 ( 1.069 0.674 -2.259) 2.588 31.587 ( -0.077 -1.008 -1.730) 2.004 40.413 ( -0.185 2.609 -2.139) 3.379 40.435 ( 1.352 2.829 -2.362) 3.925 40.720 ( -0.230 -1.911 0.056) 1.925 41.404 ( 0.189 -1.154 1.108) 1.611 41.516 ( 0.286 -0.018 -0.573) 0.641 41.714 ( -0.417 -1.718 -1.521) 2.332 47.077 ( 2.841 -6.968 6.069) 9.667 47.271 ( -0.884 -10.118 -5.145) 11.385 48.546 ( -5.929 18.408 -22.445) 29.627 87.571 ( -0.134 -0.083 0.261) 0.305 87.580 ( 0.338 -0.025 0.664) 0.746 87.593 ( 0.044 0.344 0.762) 0.837======================= Grid point 521 (191/288) =======================q-point: (-0.29 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.514 ( -9.193 4.548 2.313) 10.514 2.923 ( -0.169 3.242 10.505) 10.995 3.311 ( 6.607 8.329 12.922) 16.734 4.063 ( -5.785 -1.364 -2.421) 6.417 4.171 ( -0.834 -0.164 7.928) 7.973 4.394 ( 6.355 2.380 1.145) 6.882 4.792 ( -0.843 16.060 -11.580) 19.818 5.543 ( -5.680 -1.239 -1.238) 5.944 5.769 ( -1.746 0.076 2.360) 2.937 5.915 ( 3.921 -1.422 2.228) 4.728 6.203 ( -3.111 -5.419 -2.934) 6.903 6.554 ( -4.000 1.464 1.763) 4.610 6.632 ( -3.262 -5.549 4.304) 7.743 6.984 ( 7.488 1.272 4.290) 8.723 7.142 ( 5.757 -2.763 -8.641) 10.744 7.533 ( -0.485 2.757 -3.098) 4.175 7.731 ( 4.663 1.067 -1.605) 5.045 8.224 ( 0.961 0.002 -0.427) 1.052 8.490 ( 0.277 -2.553 2.538) 3.611 8.670 ( -3.265 0.458 -1.002) 3.446 9.359 ( -2.391 4.991 3.189) 6.387 22.696 ( 0.484 0.654 3.354) 3.451 22.807 ( -0.153 0.681 0.922) 1.157 22.892 ( 0.302 -1.846 1.177) 2.210 31.378 ( -1.179 0.503 -0.626) 1.426 31.435 ( 1.179 0.588 -1.996) 2.392 31.555 ( -0.131 -0.962 -1.335) 1.650 40.389 ( 0.290 2.502 -1.748) 3.066 40.419 ( 1.665 3.278 -1.844) 4.113 40.709 ( -0.561 -2.266 -0.123) 2.338 41.420 ( 0.338 -0.708 0.927) 1.214 41.505 ( 0.278 0.171 -0.882) 0.940 41.677 ( -0.773 -2.001 -1.376) 2.549 47.108 ( -1.464 -10.558 -3.064) 11.091 47.209 ( 4.171 -5.656 4.643) 8.423 48.231 ( -7.078 17.729 -16.215) 25.047 87.574 ( -0.059 0.004 0.181) 0.190 87.593 ( 0.252 0.018 0.540) 0.597 87.608 ( 0.168 0.368 0.669) 0.782======================= Grid point 522 (192/288) =======================q-point: (-0.21 0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.508 ( -4.612 1.669 1.219) 5.054 3.088 ( -0.638 2.561 6.533) 7.046 3.581 ( 5.364 9.530 7.700) 13.374 3.976 ( -2.208 -2.774 -1.481) 3.843 4.200 ( 0.754 0.712 -1.490) 1.815 4.541 ( 1.763 5.931 4.612) 7.718 4.712 ( 3.859 13.026 -3.474) 14.023 5.440 ( -3.057 -0.604 -4.512) 5.483 5.789 ( -2.929 -1.632 1.879) 3.843 5.986 ( 0.379 -1.336 2.984) 3.292 6.103 ( -1.418 -4.757 -3.339) 5.983 6.460 ( -1.556 2.070 -4.241) 4.969 6.744 ( -2.447 -3.959 6.570) 8.051 7.024 ( 3.458 -1.881 -5.922) 7.111 7.103 ( 3.866 -0.142 2.717) 4.727 7.483 ( -1.245 -0.614 -1.854) 2.316 7.763 ( 3.842 1.496 0.424) 4.145 8.227 ( 1.331 -1.819 0.177) 2.261 8.524 ( -0.323 -2.709 2.120) 3.455 8.635 ( -2.874 -0.276 -0.631) 2.956 9.402 ( -1.359 4.891 1.211) 5.219 22.756 ( 0.448 0.698 2.672) 2.798 22.815 ( -0.021 0.376 -0.220) 0.436 22.901 ( -0.062 -1.371 0.421) 1.435 31.365 ( -0.825 0.346 -0.271) 0.935 31.416 ( 0.988 0.632 -1.207) 1.683 31.532 ( -0.229 -0.829 -0.710) 1.115 40.377 ( 0.662 2.168 -0.987) 2.473 40.420 ( 2.024 3.606 -0.993) 4.253 40.691 ( -1.092 -2.634 -0.183) 2.857 41.435 ( 0.260 -0.380 0.772) 0.899 41.492 ( 0.349 0.563 -0.882) 1.102 41.643 ( -1.069 -2.125 -0.771) 2.501 47.000 ( -2.768 -8.394 -2.234) 9.117 47.321 ( 4.933 -4.220 5.294) 8.376 48.015 ( -5.076 13.636 -10.143) 17.736 87.577 ( -0.004 0.053 0.115) 0.127 87.602 ( 0.151 0.063 0.292) 0.335 87.620 ( 0.236 0.372 0.393) 0.590======================= Grid point 523 (193/288) =======================q-point: (-0.14 -0.50 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.506 ( -0.180 -0.312 0.000) 0.360 3.153 ( 0.383 0.663 0.000) 0.766 3.709 ( 4.581 7.934 0.000) 9.161 3.953 ( -1.800 -3.117 0.000) 3.599 4.190 ( 0.531 0.920 0.000) 1.062 4.615 ( 4.513 7.817 0.000) 9.026 4.777 ( 5.646 9.779 0.000) 11.292 5.384 ( 0.154 0.267 0.000) 0.308 5.770 ( -3.388 -5.868 0.000) 6.776 5.983 ( -3.323 -5.756 0.000) 6.646 6.067 ( 0.746 1.291 0.000) 1.491 6.442 ( 2.834 4.909 0.000) 5.669 6.770 ( -2.321 -4.020 0.000) 4.642 6.973 ( -0.280 -0.486 0.000) 0.561 7.128 ( -1.645 -2.850 0.000) 3.290 7.463 ( 0.654 1.132 0.000) 1.307 7.790 ( 0.814 1.410 0.000) 1.628 8.224 ( -1.362 -2.359 0.000) 2.723 8.530 ( -1.258 -2.179 0.000) 2.516 8.612 ( -0.758 -1.312 0.000) 1.515 9.431 ( 2.295 3.974 0.000) 4.589 22.793 ( 0.153 0.264 0.000) 0.305 22.808 ( 0.365 0.633 0.000) 0.731 22.897 ( -0.550 -0.953 0.000) 1.101 31.360 ( -0.049 -0.084 0.000) 0.097 31.413 ( 0.485 0.840 0.000) 0.970 31.521 ( -0.387 -0.670 0.000) 0.774 40.381 ( 0.967 1.675 0.000) 1.934 40.440 ( 2.207 3.823 0.000) 4.415 40.669 ( -1.652 -2.862 0.000) 3.304 41.443 ( -0.124 -0.214 0.000) 0.247 41.489 ( 0.521 0.902 0.000) 1.041 41.620 ( -1.178 -2.040 0.000) 2.356 46.931 ( -3.607 -6.248 0.000) 7.215 47.387 ( -0.323 -0.560 0.000) 0.646 47.947 ( 3.716 6.436 0.000) 7.431 87.578 ( 0.028 0.049 0.000) 0.057 87.606 ( 0.059 0.102 0.000) 0.118 87.627 ( 0.201 0.348 0.000) 0.402======================= Grid point 534 (194/288) =======================q-point: (-0.43 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.628 ( -0.000 4.827 1.799) 5.151 2.634 ( -0.000 7.393 14.883) 16.618 3.006 ( -0.000 3.013 9.324) 9.799 3.846 ( 0.000 -2.224 24.466) 24.567 4.226 ( -0.000 -0.488 -3.606) 3.639 4.416 ( -0.000 3.959 -11.955) 12.594 4.979 ( -0.000 16.692 -13.308) 21.347 5.506 ( 0.000 -1.532 12.834) 12.925 5.714 ( 0.000 1.312 5.969) 6.112 5.927 ( 0.000 -2.237 -4.517) 5.041 6.287 ( 0.000 -5.671 0.566) 5.699 6.361 ( 0.000 -3.252 12.430) 12.848 6.743 ( 0.000 -3.387 4.231) 5.420 6.902 ( -0.000 -0.373 -7.857) 7.866 7.194 ( 0.000 -2.447 -6.729) 7.161 7.558 ( -0.000 8.171 -3.587) 8.924 7.777 ( -0.000 1.441 -9.215) 9.328 8.225 ( -0.000 2.687 -0.804) 2.805 8.460 ( 0.000 -2.048 0.875) 2.227 8.728 ( -0.000 0.789 -1.596) 1.781 9.283 ( -0.000 4.593 6.174) 7.695 22.626 ( 0.000 0.439 3.575) 3.602 22.780 ( -0.000 1.802 1.656) 2.448 22.867 ( 0.000 -2.941 2.225) 3.688 31.407 ( -0.000 0.456 -0.949) 1.053 31.455 ( -0.000 0.640 -2.267) 2.356 31.588 ( 0.000 -1.039 -1.723) 2.012 40.420 ( -0.000 3.128 -2.051) 3.741 40.420 ( -0.000 2.466 -2.549) 3.547 40.722 ( 0.000 -1.933 0.099) 1.935 41.402 ( 0.000 -1.172 1.066) 1.585 41.514 ( -0.000 -0.036 -0.518) 0.519 41.717 ( 0.000 -1.807 -1.455) 2.320 47.057 ( 0.000 -6.826 6.197) 9.219 47.278 ( 0.000 -10.172 -5.293) 11.467 48.586 ( -0.000 18.564 -22.708) 29.331 87.573 ( 0.000 -0.073 0.151) 0.168 87.577 ( 0.000 -0.053 0.786) 0.788 87.592 ( -0.000 0.366 0.740) 0.826======================= Grid point 536 (195/288) =======================q-point: (-0.36 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( -5.022 1.921 -0.698) 5.423 2.908 ( 1.546 7.158 10.926) 13.153 3.247 ( 2.513 7.484 13.221) 15.399 4.135 ( -3.216 -1.145 -1.960) 3.936 4.197 ( -4.113 2.019 2.273) 5.115 4.298 ( 7.187 2.456 6.038) 9.702 4.798 ( -0.153 17.033 -13.781) 21.910 5.634 ( -7.422 -1.039 0.609) 7.520 5.739 ( 5.963 0.428 -2.100) 6.337 5.879 ( 0.746 -3.262 3.678) 4.973 6.248 ( -2.269 -6.437 -1.259) 6.940 6.573 ( -0.263 -0.910 4.813) 4.905 6.724 ( -8.334 -2.226 0.185) 8.628 6.868 ( 8.917 0.077 3.527) 9.590 7.089 ( 2.022 -2.592 -5.035) 6.013 7.542 ( -0.532 6.301 -2.019) 6.638 7.679 ( 2.360 -0.873 -2.652) 3.656 8.214 ( 0.416 -0.234 -0.931) 1.046 8.488 ( 0.096 -2.552 2.795) 3.786 8.701 ( -1.170 0.599 -1.320) 1.863 9.383 ( -0.978 4.625 3.306) 5.769 22.692 ( 0.170 0.640 3.419) 3.483 22.807 ( 0.014 1.305 0.687) 1.475 22.890 ( 0.025 -2.453 1.538) 2.896 31.392 ( -0.830 0.703 -0.642) 1.263 31.421 ( 0.825 0.477 -2.046) 2.258 31.556 ( -0.040 -1.032 -1.309) 1.668 40.389 ( -0.240 2.792 -1.912) 3.393 40.401 ( 0.908 3.282 -1.844) 3.872 40.714 ( -0.191 -2.238 0.005) 2.246 41.417 ( 0.109 -0.676 0.956) 1.176 41.502 ( 0.104 0.089 -0.834) 0.845 41.684 ( -0.260 -2.186 -1.280) 2.546 47.129 ( -1.749 -8.655 0.697) 8.857 47.162 ( 2.773 -7.705 0.935) 8.242 48.297 ( -2.498 18.171 -17.345) 25.244 87.575 ( -0.053 0.029 0.143) 0.156 87.590 ( 0.154 -0.043 0.602) 0.623 87.607 ( 0.025 0.437 0.653) 0.786======================= Grid point 537 (196/288) =======================q-point: (-0.29 0.57 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -4.056 0.680 -1.459) 4.364 3.085 ( 0.820 4.001 5.364) 6.742 3.517 ( 3.749 10.059 9.331) 14.223 4.022 ( -4.323 0.398 -3.696) 5.702 4.171 ( 3.278 1.388 -2.104) 4.135 4.538 ( -0.933 4.556 7.736) 9.026 4.660 ( 3.586 14.571 -7.370) 16.718 5.495 ( -4.828 -1.973 -6.050) 7.988 5.780 ( 4.091 -0.906 0.145) 4.192 5.960 ( 0.884 0.415 4.235) 4.346 6.175 ( -6.362 -6.872 -0.584) 9.383 6.457 ( 1.651 -1.449 -8.581) 8.858 6.804 ( -5.943 -1.733 7.465) 9.698 6.972 ( 4.666 -0.768 -0.156) 4.731 7.051 ( 3.113 -0.448 1.718) 3.584 7.514 ( -3.074 1.479 -1.207) 3.618 7.697 ( 5.290 -0.138 1.123) 5.410 8.201 ( 1.836 -2.696 -0.645) 3.325 8.528 ( -0.255 -2.635 2.612) 3.719 8.670 ( -1.916 0.282 -1.215) 2.286 9.424 ( -1.487 4.567 0.348) 4.816 22.751 ( 0.244 0.774 2.775) 2.892 22.814 ( 0.084 0.862 -0.479) 0.990 22.902 ( -0.149 -1.926 0.834) 2.104 31.376 ( -0.825 0.359 -0.807) 1.209 31.403 ( 0.895 0.751 -0.797) 1.414 31.534 ( -0.103 -0.935 -0.655) 1.146 40.372 ( 0.042 2.710 -1.110) 2.928 40.396 ( 1.370 3.508 -1.005) 3.898 40.702 ( -0.552 -2.555 -0.016) 2.614 41.433 ( 0.085 -0.237 0.983) 1.014 41.488 ( 0.231 0.370 -0.947) 1.043 41.654 ( -0.564 -2.393 -0.704) 2.558 47.041 ( -2.986 -8.083 -1.295) 8.713 47.251 ( 4.773 -5.564 5.408) 9.110 48.074 ( -3.279 14.849 -12.923) 19.956 87.577 ( -0.043 0.097 0.094) 0.142 87.599 ( 0.202 -0.028 0.326) 0.385 87.618 ( 0.050 0.503 0.425) 0.661======================= Grid point 538 (197/288) =======================q-point: (-0.21 -0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -1.300 0.068 -2.682) 2.981 3.136 ( 1.698 0.331 -1.465) 2.266 3.654 ( 3.497 9.816 -0.971) 10.465 3.992 ( -3.590 -1.108 2.042) 4.277 4.175 ( 1.657 1.186 0.041) 2.038 4.558 ( 3.643 13.327 -3.269) 14.198 4.718 ( 3.163 5.527 0.306) 6.375 5.396 ( -2.080 -1.349 -1.167) 2.740 5.777 ( 2.696 -3.223 -2.058) 4.679 6.009 ( -2.047 -3.440 0.348) 4.018 6.104 ( -5.224 -1.901 1.472) 5.751 6.383 ( 5.756 -0.033 -2.336) 6.212 6.830 ( -6.190 -2.116 0.793) 6.590 6.982 ( -0.945 0.071 2.642) 2.807 7.121 ( 2.983 0.899 1.681) 3.540 7.482 ( -3.639 -0.618 0.329) 3.705 7.758 ( 3.880 0.987 1.346) 4.224 8.198 ( 3.733 -4.721 -0.124) 6.020 8.546 ( -1.124 -2.164 0.763) 2.555 8.635 ( -1.974 -0.248 -1.104) 2.275 9.419 ( -0.092 4.257 -1.968) 4.691 22.792 ( -0.017 0.543 0.214) 0.584 22.803 ( 0.379 0.780 -0.227) 0.897 22.904 ( -0.420 -1.350 0.318) 1.449 31.360 ( 0.022 -0.150 -0.637) 0.655 31.408 ( 0.230 1.065 0.458) 1.182 31.525 ( -0.213 -0.808 0.092) 0.840 40.372 ( 0.336 2.370 -0.139) 2.398 40.413 ( 1.738 3.738 0.063) 4.122 40.687 ( -1.038 -2.762 0.143) 2.955 41.446 ( -0.405 -0.019 0.444) 0.602 41.481 ( 0.653 0.709 -0.158) 0.977 41.633 ( -0.800 -2.411 -0.017) 2.540 46.989 ( -4.728 -6.510 1.410) 8.168 47.353 ( 4.674 -3.915 3.699) 7.131 47.924 ( 0.052 9.918 -7.184) 12.247 87.578 ( -0.028 0.109 -0.003) 0.113 87.604 ( 0.203 -0.009 0.014) 0.203 87.625 ( 0.022 0.535 0.078) 0.541======================= Grid point 550 (198/288) =======================q-point: (-0.36 0.64 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( -0.000 -0.024 -2.675) 2.675 3.077 ( -0.000 4.803 5.099) 7.004 3.490 ( -0.000 10.293 9.967) 14.328 4.067 ( -0.000 2.909 -6.865) 7.456 4.134 ( -0.000 0.474 0.056) 0.478 4.550 ( 0.000 1.823 12.324) 12.458 4.630 ( -0.000 17.225 -12.141) 21.074 5.540 ( 0.000 -2.892 -7.636) 8.165 5.735 ( 0.000 -0.273 0.673) 0.727 5.958 ( 0.000 -0.065 5.085) 5.085 6.227 ( 0.000 -6.481 1.160) 6.584 6.439 ( -0.000 -2.879 -11.547) 11.901 6.887 ( 0.000 -0.799 8.582) 8.619 6.899 ( 0.000 -0.131 3.077) 3.080 7.030 ( 0.000 -0.885 -0.614) 1.077 7.545 ( -0.000 4.916 -0.567) 4.948 7.649 ( 0.000 -3.429 1.162) 3.621 8.188 ( 0.000 -2.834 -1.171) 3.066 8.530 ( 0.000 -2.568 2.820) 3.814 8.683 ( -0.000 0.427 -1.401) 1.465 9.435 ( -0.000 4.380 0.133) 4.382 22.750 ( 0.000 0.800 2.813) 2.924 22.813 ( -0.000 1.036 -0.544) 1.170 22.903 ( 0.000 -2.121 0.947) 2.323 31.384 ( -0.000 0.126 -1.695) 1.699 31.394 ( -0.000 1.031 0.046) 1.032 31.535 ( 0.000 -0.973 -0.637) 1.163 40.373 ( -0.000 2.992 -1.197) 3.223 40.386 ( -0.000 3.380 -0.969) 3.516 40.706 ( 0.000 -2.524 0.040) 2.524 41.432 ( 0.000 -0.175 1.072) 1.086 41.486 ( -0.000 0.293 -0.986) 1.028 41.658 ( 0.000 -2.490 -0.674) 2.580 47.066 ( 0.000 -7.775 -0.912) 7.829 47.213 ( 0.000 -6.123 5.226) 8.050 48.097 ( -0.000 15.166 -13.719) 20.450 87.578 ( -0.000 0.118 0.081) 0.143 87.598 ( 0.000 -0.058 0.348) 0.352 87.618 ( -0.000 0.541 0.433) 0.693======================= Grid point 552 (199/288) =======================q-point: (-0.29 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.534 ( -0.732 0.318 -4.693) 4.761 3.117 ( 0.854 0.037 -1.877) 2.063 3.620 ( 1.360 11.110 -1.307) 11.269 4.035 ( -2.143 1.270 3.090) 3.969 4.152 ( 1.244 0.173 0.633) 1.406 4.523 ( 1.462 16.283 -6.846) 17.724 4.690 ( 1.008 3.223 1.601) 3.738 5.430 ( -2.034 -3.405 -2.088) 4.482 5.728 ( 3.001 -0.663 -1.977) 3.654 6.035 ( -1.211 -1.084 2.993) 3.406 6.191 ( -7.305 -4.388 -1.785) 8.707 6.293 ( 7.389 -3.381 -2.930) 8.638 6.924 ( -6.830 -0.239 2.228) 7.188 6.991 ( 0.101 0.204 3.754) 3.761 7.057 ( 5.263 1.701 1.226) 5.665 7.549 ( -4.945 2.002 1.267) 5.483 7.693 ( 4.736 -2.393 2.768) 5.985 8.155 ( 1.939 -5.398 -1.226) 5.866 8.558 ( -0.541 -2.041 1.367) 2.515 8.654 ( -0.692 0.237 -1.747) 1.894 9.424 ( -0.362 4.134 -2.926) 5.077 22.793 ( -0.158 0.736 0.929) 1.196 22.798 ( 0.288 0.837 -0.911) 1.270 22.908 ( -0.157 -1.576 0.460) 1.649 31.360 ( 0.021 -0.184 -1.011) 1.028 31.406 ( 0.061 1.187 0.736) 1.398 31.526 ( -0.067 -0.884 0.140) 0.897 40.371 ( -0.079 2.891 -0.300) 2.907 40.395 ( 0.799 3.542 0.168) 3.635 40.696 ( -0.355 -2.694 0.233) 2.727 41.452 ( -0.353 0.181 1.090) 1.160 41.473 ( 0.439 0.506 -0.663) 0.943 41.641 ( -0.285 -2.614 -0.004) 2.630 47.047 ( -3.152 -6.440 2.841) 7.713 47.288 ( 3.634 -5.502 4.412) 7.934 47.930 ( -0.453 11.360 -10.471) 15.456 87.579 ( -0.024 0.153 -0.011) 0.156 87.601 ( 0.105 -0.064 0.036) 0.128 87.625 ( -0.012 0.620 0.114) 0.631======================= Grid point 553 (200/288) =======================q-point: (-0.21 -0.36 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( 1.601 0.268 -7.499) 7.673 3.027 ( 1.767 -3.546 -8.452) 9.335 3.598 ( 3.082 9.988 -6.034) 12.069 4.049 ( -6.297 -0.895 -0.346) 6.370 4.175 ( 2.419 -0.890 0.402) 2.608 4.549 ( 3.138 11.936 0.002) 12.342 4.673 ( 3.641 4.715 -4.678) 7.574 5.408 ( -0.597 -3.494 1.661) 3.915 5.707 ( 2.212 -2.072 -1.784) 3.517 5.975 ( -3.518 -7.327 -3.410) 8.814 6.186 ( -2.251 3.337 3.600) 5.400 6.322 ( 6.850 -3.651 0.961) 7.822 6.856 ( -9.615 1.054 -2.795) 10.068 7.096 ( 3.078 2.595 3.614) 5.410 7.130 ( 0.945 3.924 5.570) 6.879 7.542 ( -7.061 -0.352 2.360) 7.453 7.765 ( 3.516 0.059 2.012) 4.052 8.141 ( 5.305 -7.168 0.066) 8.918 8.547 ( -1.980 -1.505 -1.008) 2.683 8.619 ( -0.370 -0.118 -1.673) 1.717 9.369 ( 1.001 3.677 -4.813) 6.139 22.761 ( 0.055 0.805 -2.586) 2.709 22.812 ( 0.057 -0.158 -0.162) 0.233 22.910 ( -0.434 -0.230 0.600) 0.776 31.348 ( 0.328 -0.501 -0.336) 0.687 31.430 ( -0.058 1.261 1.480) 1.946 31.532 ( -0.188 -0.786 0.886) 1.199 40.384 ( 0.177 2.508 0.590) 2.583 40.428 ( 1.214 3.709 1.144) 4.067 40.689 ( -0.839 -2.608 0.560) 2.796 41.452 ( -0.868 0.391 -0.427) 1.044 41.487 ( 0.779 0.620 1.147) 1.519 41.634 ( -0.466 -2.565 0.706) 2.701 47.060 ( -6.770 -6.316 4.824) 10.440 47.358 ( 3.158 -3.465 1.598) 4.953 47.840 ( 5.205 6.110 -3.598) 8.796 87.578 ( -0.047 0.130 -0.123) 0.185 87.600 ( 0.169 -0.057 -0.257) 0.313 87.626 ( -0.083 0.652 -0.265) 0.708======================= Grid point 566 (201/288) =======================q-point: (-0.29 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.418 ( -0.000 0.908 -8.914) 8.960 3.015 ( 0.000 -4.046 -8.313) 9.245 3.576 ( -0.000 10.539 -6.264) 12.260 4.121 ( -0.000 2.355 2.733) 3.608 4.131 ( 0.000 -3.998 -2.406) 4.666 4.523 ( -0.000 14.742 1.368) 14.805 4.651 ( -0.000 2.468 -6.400) 6.859 5.415 ( 0.000 -4.838 0.892) 4.919 5.688 ( 0.000 -0.388 -1.017) 1.089 6.003 ( 0.000 -6.172 -4.315) 7.531 6.213 ( -0.000 7.253 2.329) 7.618 6.259 ( 0.000 -10.110 2.332) 10.376 6.978 ( -0.000 3.076 -1.760) 3.543 7.005 ( -0.000 2.316 -0.764) 2.439 7.135 ( -0.000 3.155 9.547) 10.055 7.617 ( -0.000 4.160 1.984) 4.609 7.720 ( 0.000 -4.596 3.939) 6.053 8.100 ( 0.000 -7.643 -0.849) 7.690 8.563 ( 0.000 -1.532 -0.345) 1.571 8.619 ( -0.000 0.228 -2.455) 2.466 9.364 ( -0.000 3.711 -5.434) 6.580 22.761 ( -0.000 0.812 -2.603) 2.727 22.811 ( 0.000 -0.062 -0.113) 0.129 22.913 ( 0.000 -0.299 0.691) 0.753 31.345 ( 0.000 -0.492 -0.401) 0.635 31.431 ( -0.000 1.292 1.496) 1.977 31.533 ( 0.000 -0.826 0.917) 1.234 40.384 ( -0.000 2.802 0.441) 2.836 40.419 ( -0.000 3.587 1.266) 3.804 40.695 ( 0.000 -2.555 0.602) 2.625 41.460 ( -0.000 0.555 -0.656) 0.859 41.480 ( -0.000 0.486 1.503) 1.579 41.637 ( 0.000 -2.702 0.678) 2.786 47.119 ( 0.000 -6.511 6.076) 8.906 47.321 ( 0.000 -5.224 3.312) 6.185 47.807 ( -0.000 7.866 -7.149) 10.629 87.578 ( -0.000 0.157 -0.121) 0.198 87.599 ( 0.000 -0.082 -0.247) 0.260 87.627 ( -0.000 0.692 -0.245) 0.734======================= Grid point 567 (202/288) =======================q-point: (-0.21 -0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( 2.799 -0.253 -12.931) 13.233 2.792 ( 0.857 -7.904 -14.414) 16.461 3.504 ( 1.255 12.124 -7.401) 14.260 4.013 ( -2.741 -4.384 -7.419) 9.043 4.157 ( 0.604 1.384 0.055) 1.511 4.486 ( -0.472 -3.955 -10.667) 11.386 4.671 ( 4.437 10.541 6.537) 13.173 5.413 ( 0.620 -6.453 0.955) 6.553 5.675 ( 0.059 -0.304 -0.873) 0.926 5.915 ( -1.581 -3.238 -2.413) 4.337 6.239 ( -0.280 -8.062 0.646) 8.093 6.301 ( 3.356 4.725 1.291) 5.938 6.895 ( -11.532 5.115 -1.896) 12.757 7.049 ( 9.201 6.263 -1.907) 11.292 7.358 ( -1.370 4.437 13.654) 14.422 7.637 ( -6.564 2.123 1.960) 7.172 7.784 ( 2.494 -2.357 3.038) 4.583 8.089 ( 4.735 -8.730 1.921) 10.115 8.530 ( -2.325 -1.000 -1.799) 3.105 8.580 ( 1.237 0.062 -2.228) 2.549 9.274 ( 1.201 2.929 -6.187) 6.950 22.714 ( 0.027 0.960 -3.069) 3.216 22.790 ( -0.028 -1.240 -1.783) 2.172 22.929 ( -0.394 1.459 0.784) 1.703 31.341 ( 0.223 -0.760 0.144) 0.805 31.468 ( -0.036 1.311 2.087) 2.465 31.551 ( -0.126 -0.754 1.534) 1.714 40.408 ( 0.160 2.429 1.093) 2.669 40.463 ( 0.528 3.371 1.734) 3.827 40.698 ( -0.497 -1.886 1.005) 2.194 41.448 ( -0.567 0.632 -0.720) 1.113 41.510 ( 0.282 0.623 1.464) 1.615 41.645 ( -0.118 -2.630 1.447) 3.004 47.180 ( -5.841 -6.706 5.538) 10.476 47.350 ( -0.549 -3.314 0.523) 3.400 47.788 ( 8.126 1.562 1.874) 8.484 87.576 ( -0.044 0.113 -0.215) 0.247 87.592 ( 0.093 -0.074 -0.454) 0.469 87.622 ( -0.085 0.714 -0.598) 0.936======================= Grid point 581 (203/288) =======================q-point: (-0.21 -0.21 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( -0.000 -3.060 -17.034) 17.307 2.449 ( 0.000 -12.500 -19.176) 22.891 3.417 ( -0.000 15.054 -8.000) 17.048 3.764 ( -0.000 -2.853 -21.104) 21.296 4.175 ( 0.000 -0.867 1.338) 1.595 4.265 ( 0.000 -14.418 -7.701) 16.346 4.833 ( -0.000 7.457 8.814) 11.545 5.387 ( 0.000 -7.805 -0.559) 7.825 5.646 ( -0.000 2.086 -3.512) 4.085 5.882 ( -0.000 1.524 -2.066) 2.568 6.192 ( 0.000 -10.632 -0.361) 10.638 6.301 ( -0.000 5.052 -3.928) 6.399 6.968 ( -0.000 4.336 0.869) 4.423 7.005 ( -0.000 11.429 0.036) 11.429 7.634 ( -0.000 4.988 14.081) 14.939 7.697 ( -0.000 3.243 1.029) 3.402 7.819 ( 0.000 -4.254 3.463) 5.485 8.095 ( 0.000 -9.726 4.879) 10.881 8.511 ( 0.000 -0.661 -0.986) 1.187 8.536 ( -0.000 0.562 -1.694) 1.785 9.172 ( -0.000 1.805 -5.467) 5.757 22.663 ( -0.000 1.181 -3.038) 3.259 22.746 ( 0.000 -1.748 -2.442) 3.003 22.948 ( -0.000 2.954 0.034) 2.954 31.343 ( 0.000 -0.959 0.469) 1.068 31.513 ( -0.000 1.295 2.414) 2.740 31.580 ( 0.000 -0.689 1.898) 2.019 40.439 ( -0.000 2.146 1.431) 2.579 40.503 ( -0.000 2.411 1.623) 2.906 40.716 ( 0.000 -0.379 1.259) 1.314 41.437 ( -0.000 0.947 -1.207) 1.534 41.537 ( -0.000 0.683 1.323) 1.489 41.666 ( 0.000 -2.576 2.041) 3.286 47.233 ( 0.000 -3.519 0.570) 3.565 47.365 ( 0.000 -3.979 1.204) 4.158 47.859 ( 0.000 -7.335 12.027) 14.087 87.572 ( -0.000 0.071 -0.267) 0.276 87.583 ( -0.000 -0.058 -0.541) 0.544 87.612 ( -0.000 0.744 -0.869) 1.144======================= Grid point 658 (204/288) =======================q-point: ( 0.21 -0.79 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.901 ( -0.000 0.000 2.011) 2.011 2.901 ( 0.000 -0.000 2.011) 2.011 3.405 ( -0.000 0.000 -20.551) 20.551 4.257 ( -0.000 0.000 -22.452) 22.452 4.388 ( 0.000 -0.000 6.339) 6.339 4.388 ( 0.000 -0.000 6.339) 6.339 5.542 ( 0.000 -0.000 5.039) 5.039 5.542 ( 0.000 -0.000 5.039) 5.039 5.862 ( 0.000 0.000 -0.380) 0.380 5.862 ( 0.000 -0.000 -0.380) 0.380 5.867 ( -0.000 0.000 -0.014) 0.014 6.646 ( -0.000 0.000 -8.896) 8.896 6.873 ( -0.000 0.000 -0.110) 0.110 6.873 ( 0.000 -0.000 -0.110) 0.110 6.988 ( 0.000 -0.000 4.309) 4.309 7.509 ( 0.000 -0.000 4.049) 4.049 7.619 ( 0.000 -0.000 5.984) 5.984 7.619 ( 0.000 -0.000 5.984) 5.984 8.609 ( -0.000 0.000 0.120) 0.120 8.609 ( 0.000 -0.000 0.120) 0.120 9.805 ( -0.000 0.000 -1.221) 1.221 22.767 ( -0.000 0.000 -2.994) 2.994 22.801 ( -0.000 0.000 -1.603) 1.603 22.801 ( 0.000 0.000 -1.603) 1.603 31.437 ( 0.000 -0.000 3.001) 3.001 31.470 ( -0.000 0.000 0.464) 0.464 31.470 ( 0.000 -0.000 0.464) 0.464 40.533 ( -0.000 -0.000 0.724) 0.724 40.533 ( 0.000 -0.000 0.724) 0.724 40.573 ( 0.000 -0.000 2.572) 2.572 41.432 ( -0.000 0.000 -1.370) 1.370 41.432 ( 0.000 0.000 -1.370) 1.370 41.632 ( 0.000 -0.000 2.539) 2.539 46.863 ( -0.000 0.000 -2.466) 2.466 46.863 ( 0.000 0.000 -2.466) 2.466 48.971 ( 0.000 -0.000 22.385) 22.385 87.580 ( -0.000 0.000 -0.496) 0.496 87.580 ( -0.000 0.000 -0.496) 0.496 87.623 ( -0.000 0.000 -0.855) 0.855======================= Grid point 661 (205/288) =======================q-point: (-0.71 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.902 ( -4.254 -2.456 3.083) 5.799 2.945 ( -0.163 -0.094 -1.576) 1.587 3.046 ( 1.808 1.044 -19.254) 19.367 3.806 ( -0.487 -0.281 -27.528) 27.534 4.419 ( -6.384 -3.686 2.319) 7.728 4.521 ( 4.124 2.381 4.988) 6.896 5.478 ( -2.763 -1.595 -9.122) 9.663 5.529 ( 2.510 1.449 -8.870) 9.332 5.831 ( -1.953 -1.128 -1.458) 2.686 5.892 ( -4.842 -2.795 8.193) 9.919 5.988 ( 6.379 3.683 7.383) 10.429 6.411 ( -1.271 -0.734 -16.018) 16.085 6.807 ( -8.492 -4.903 -1.887) 9.985 6.922 ( 4.835 2.791 1.224) 5.716 7.099 ( 1.590 0.918 7.124) 7.357 7.662 ( 5.398 3.117 9.067) 11.003 7.766 ( -1.523 -0.879 11.089) 11.228 7.794 ( 1.847 1.066 12.562) 12.742 8.582 ( -3.632 -2.097 0.532) 4.227 8.643 ( 2.750 1.588 0.596) 3.231 9.738 ( -1.924 -1.111 -5.312) 5.758 22.715 ( -0.413 -0.239 -2.545) 2.589 22.748 ( -1.562 -0.902 -2.928) 3.439 22.779 ( 2.101 1.213 -2.495) 3.480 31.465 ( -1.815 -1.048 0.860) 2.265 31.493 ( 1.382 0.798 0.780) 1.776 31.496 ( 0.385 0.222 3.115) 3.146 40.535 ( -1.197 -0.691 0.818) 1.606 40.551 ( 0.577 0.333 0.216) 0.701 40.628 ( 0.148 0.085 3.262) 3.266 41.399 ( -1.058 -0.611 -1.306) 1.789 41.423 ( 1.585 0.915 -0.995) 2.083 41.677 ( 0.039 0.023 2.439) 2.440 46.832 ( 0.496 0.286 -0.262) 0.630 46.838 ( 1.770 1.022 -2.178) 2.986 49.368 ( -3.416 -1.972 23.767) 24.092 87.569 ( -0.105 -0.061 -0.568) 0.580 87.572 ( 0.190 0.110 -0.655) 0.691 87.607 ( -0.056 -0.032 -0.880) 0.882======================= Grid point 662 (206/288) =======================q-point: (-0.64 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.691 ( -1.217 -0.703 -16.957) 17.015 2.900 ( -3.403 -1.965 -5.607) 6.847 2.922 ( -5.524 -3.189 2.907) 7.010 3.301 ( 0.351 0.203 -27.776) 27.779 4.386 ( -5.783 -3.339 0.851) 6.732 4.631 ( 4.035 2.330 2.879) 5.477 5.223 ( -2.442 -1.410 -15.604) 15.857 5.338 ( 2.343 1.353 -13.734) 13.998 5.777 ( -0.342 -0.197 -3.302) 3.326 6.000 ( -5.754 -3.322 3.490) 7.505 6.107 ( 0.369 0.213 -11.779) 11.787 6.197 ( 5.474 3.161 9.177) 11.143 6.682 ( -10.900 -6.293 -1.663) 12.695 6.978 ( 3.551 2.050 0.677) 4.156 7.255 ( 4.444 2.566 7.093) 8.755 7.883 ( 5.895 3.404 9.462) 11.656 7.960 ( -3.850 -2.223 12.468) 13.237 8.070 ( 1.821 1.051 15.631) 15.772 8.569 ( -3.169 -1.830 1.710) 4.039 8.676 ( 1.901 1.098 0.734) 2.315 9.585 ( -2.278 -1.315 -9.656) 10.008 22.672 ( -0.588 -0.339 -1.851) 1.972 22.674 ( -1.659 -0.958 -3.632) 4.106 22.751 ( 2.516 1.453 -2.965) 4.151 31.463 ( -1.857 -1.072 0.739) 2.268 31.521 ( 1.504 0.868 0.852) 1.934 31.555 ( 0.267 0.154 3.133) 3.148 40.541 ( -0.662 -0.382 0.709) 1.042 40.551 ( 0.028 0.016 -0.442) 0.443 40.684 ( -0.174 -0.100 2.946) 2.953 41.368 ( -1.044 -0.603 -1.113) 1.641 41.428 ( 2.088 1.205 -0.325) 2.432 41.718 ( 0.072 0.042 2.029) 2.030 46.821 ( 1.593 0.920 -1.396) 2.309 46.864 ( 2.665 1.539 2.226) 3.798 49.737 ( -6.569 -3.793 22.509) 23.753 87.559 ( 0.009 0.005 -0.510) 0.510 87.561 ( 0.189 0.109 -0.710) 0.743 87.592 ( -0.095 -0.055 -0.733) 0.741======================= Grid point 663 (207/288) =======================q-point: (-0.57 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.407 ( -2.914 -1.683 -13.139) 13.563 2.696 ( -8.982 -5.186 -21.402) 23.783 2.721 ( -7.610 -4.394 -7.986) 11.874 3.049 ( -0.142 -0.082 -0.147) 0.220 4.359 ( -2.865 -1.654 0.612) 3.364 4.663 ( 2.282 1.317 -4.308) 5.050 4.946 ( -0.902 -0.521 -10.990) 11.040 5.119 ( 3.094 1.786 -13.070) 13.550 5.709 ( 1.183 0.683 -4.924) 5.110 5.741 ( -2.429 -1.402 -15.663) 15.912 6.183 ( -2.451 -1.415 8.776) 9.221 6.388 ( 3.468 2.002 7.351) 8.371 6.571 ( -9.941 -5.740 0.272) 11.483 7.013 ( 1.098 0.634 1.141) 1.706 7.421 ( 6.532 3.771 5.868) 9.556 8.086 ( 4.351 2.512 7.762) 9.246 8.099 ( -5.723 -3.304 7.477) 9.979 8.335 ( 0.088 0.051 11.863) 11.864 8.594 ( -2.109 -1.218 3.737) 4.460 8.705 ( 0.755 0.436 1.300) 1.565 9.375 ( 1.021 0.589 -12.318) 12.374 22.596 ( -1.277 -0.737 -3.420) 3.725 22.639 ( -0.706 -0.408 -1.176) 1.431 22.722 ( 2.240 1.293 -2.579) 3.653 31.457 ( -1.903 -1.099 0.538) 2.262 31.549 ( 1.625 0.938 0.663) 1.990 31.608 ( 0.166 0.096 2.626) 2.633 40.538 ( -0.128 -0.074 -0.941) 0.953 40.547 ( -0.210 -0.121 0.434) 0.497 40.725 ( -0.464 -0.268 1.992) 2.063 41.340 ( -1.265 -0.730 -0.758) 1.646 41.449 ( 2.383 1.376 0.383) 2.778 41.749 ( 0.051 0.030 1.369) 1.371 46.822 ( 1.607 0.928 0.071) 1.856 46.953 ( 3.954 2.283 4.312) 6.280 50.029 ( -7.894 -4.558 17.342) 19.592 87.550 ( 0.152 0.088 -0.656) 0.679 87.552 ( 0.114 0.066 -0.350) 0.374 87.580 ( -0.119 -0.069 -0.475) 0.495======================= Grid point 664 (208/288) =======================q-point: (-0.50 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.155 ( -12.001 -6.929 -8.325) 16.166 2.241 ( -12.402 -7.160 -17.001) 22.229 2.537 ( -1.054 -0.608 -6.665) 6.775 3.061 ( -5.589 -3.227 2.612) 6.962 4.354 ( -1.231 -0.711 0.855) 1.659 4.529 ( 2.558 1.477 -8.899) 9.376 4.855 ( -1.336 -0.772 -1.055) 1.869 4.952 ( 4.372 2.524 -9.051) 10.364 5.489 ( -1.945 -1.123 -9.894) 10.146 5.622 ( 2.589 1.495 -6.870) 7.492 6.288 ( -8.536 -4.928 7.743) 12.534 6.507 ( -0.350 -0.202 4.333) 4.351 6.538 ( -0.854 -0.493 2.293) 2.496 7.042 ( -0.177 -0.102 1.678) 1.690 7.576 ( 7.563 4.367 4.430) 9.793 8.127 ( -5.032 -2.905 1.775) 6.076 8.213 ( 0.017 0.010 3.141) 3.141 8.465 ( -0.440 -0.254 3.781) 3.815 8.645 ( -1.882 -1.087 3.276) 3.932 8.709 ( -1.878 -1.084 -1.638) 2.718 9.227 ( 9.283 5.359 -8.092) 13.430 22.536 ( -0.536 -0.309 -2.328) 2.408 22.616 ( -0.528 -0.305 -0.788) 0.997 22.706 ( 0.995 0.574 -0.796) 1.397 31.447 ( -1.884 -1.088 0.223) 2.187 31.572 ( 1.712 0.988 0.216) 1.989 31.649 ( 0.035 0.020 1.747) 1.747 40.518 ( 0.123 0.071 -1.153) 1.162 40.552 ( 0.250 0.144 0.119) 0.312 40.745 ( -0.778 -0.449 0.786) 1.193 41.319 ( -1.712 -0.989 -0.076) 1.979 41.481 ( 2.328 1.344 0.774) 2.798 41.766 ( -0.099 -0.057 0.668) 0.677 46.856 ( 1.807 1.043 2.021) 2.905 47.078 ( 4.064 2.347 5.382) 7.141 50.188 ( -6.323 -3.650 7.009) 10.121 87.541 ( 0.059 0.034 -0.446) 0.451 87.549 ( 0.179 0.103 -0.132) 0.245 87.573 ( -0.128 -0.074 -0.214) 0.259======================= Grid point 665 (209/288) =======================q-point: (-0.43 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -20.624 -11.907 -3.629) 24.089 1.918 ( -18.075 -10.436 -2.794) 21.058 2.498 ( 8.579 4.953 -1.647) 10.042 3.023 ( -10.480 -6.051 1.750) 12.228 4.361 ( -1.713 -0.989 1.060) 2.244 4.492 ( 2.836 1.638 2.172) 3.930 4.823 ( -3.326 -1.920 -0.117) 3.842 4.893 ( 5.714 3.299 -2.419) 7.028 5.375 ( -1.900 -1.097 -0.770) 2.325 5.510 ( 3.794 2.190 -8.994) 10.004 6.302 ( -13.765 -7.947 5.922) 16.962 6.533 ( -4.731 -2.731 1.271) 5.609 6.630 ( 9.573 5.527 2.523) 11.339 7.066 ( -0.127 -0.073 0.919) 0.930 7.711 ( 7.280 4.203 3.062) 8.947 8.095 ( -2.231 -1.288 -1.240) 2.859 8.163 ( -4.263 -2.461 -6.062) 7.809 8.484 ( 1.372 0.792 -3.236) 3.603 8.656 ( -1.079 -0.623 0.391) 1.306 8.658 ( -1.927 -1.112 -0.069) 2.226 9.219 ( 12.596 7.272 -6.659) 15.996 22.507 ( 0.275 0.159 -0.755) 0.819 22.608 ( -0.005 -0.003 0.408) 0.408 22.714 ( -0.631 -0.364 1.523) 1.689 31.431 ( -1.788 -1.032 -0.141) 2.069 31.586 ( 1.728 0.998 -0.446) 2.045 31.670 ( -0.116 -0.067 0.656) 0.670 40.500 ( 0.583 0.336 -1.240) 1.411 40.556 ( 0.888 0.513 -0.305) 1.070 40.740 ( -1.227 -0.709 -0.123) 1.423 41.310 ( -2.026 -1.170 1.078) 2.576 41.514 ( 1.993 1.151 0.713) 2.409 41.771 ( -0.327 -0.189 0.173) 0.416 46.926 ( 2.035 1.175 3.812) 4.478 47.207 ( 3.147 1.817 5.224) 6.364 50.130 ( -3.617 -2.088 -9.546) 10.420 87.537 ( -0.013 -0.007 -0.004) 0.015 87.550 ( 0.191 0.110 0.097) 0.241 87.569 ( -0.132 -0.076 -0.029) 0.155======================= Grid point 666 (210/288) =======================q-point: (-0.36 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -21.480 -12.401 2.401) 24.918 1.843 ( -19.640 -11.339 13.389) 26.336 2.618 ( 13.346 7.706 3.614) 15.829 2.975 ( -13.392 -7.732 6.409) 16.739 4.347 ( -2.622 -1.514 -0.605) 3.088 4.561 ( -9.570 -5.525 4.125) 11.795 4.871 ( 5.150 2.973 8.422) 10.310 4.973 ( 5.349 3.088 5.178) 8.059 5.377 ( 5.178 2.989 -10.068) 11.710 5.420 ( -2.011 -1.161 7.215) 7.579 6.268 ( -12.277 -7.088 3.746) 14.663 6.478 ( -7.446 -4.299 -0.927) 8.648 6.766 ( 13.734 7.930 0.276) 15.862 7.065 ( 0.133 0.077 -1.163) 1.173 7.809 ( 5.379 3.106 1.393) 6.365 7.977 ( -2.581 -1.490 -9.909) 10.348 8.052 ( 1.226 0.708 -3.039) 3.353 8.395 ( 2.732 1.577 -7.391) 8.036 8.612 ( -1.607 -0.928 -2.921) 3.461 8.690 ( -2.424 -1.399 2.713) 3.898 9.168 ( 9.635 5.563 -9.993) 14.954 22.513 ( 0.885 0.511 0.792) 1.293 22.634 ( 0.713 0.412 1.985) 2.149 22.750 ( -1.213 -0.701 3.665) 3.923 31.410 ( -1.618 -0.934 -0.471) 1.926 31.586 ( 1.646 0.951 -1.224) 2.261 31.670 ( -0.266 -0.154 -0.435) 0.533 40.484 ( 1.026 0.592 -1.407) 1.839 40.554 ( 1.418 0.819 -1.209) 2.035 40.726 ( -1.265 -0.730 0.062) 1.462 41.323 ( -1.682 -0.971 2.315) 3.022 41.540 ( 1.548 0.894 0.307) 1.814 41.768 ( -0.540 -0.312 -0.189) 0.652 47.021 ( 2.064 1.192 4.707) 5.276 47.312 ( 1.615 0.932 4.090) 4.495 49.753 ( -5.301 -3.060 -28.636) 29.283 87.542 ( 0.084 0.048 0.582) 0.590 87.555 ( 0.158 0.091 0.303) 0.353 87.569 ( -0.113 -0.065 0.101) 0.165======================= Grid point 667 (211/288) =======================q-point: (-0.29 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( -16.891 -9.752 9.277) 21.598 1.994 ( -16.426 -9.484 20.112) 27.645 2.848 ( 15.147 8.745 7.343) 18.969 3.061 ( -12.904 -7.450 17.670) 23.114 4.296 ( -2.744 -1.584 -2.251) 3.887 4.464 ( -15.773 -9.106 0.109) 18.213 5.076 ( 2.504 1.446 -2.650) 3.922 5.163 ( 6.312 3.644 14.408) 16.147 5.323 ( 7.216 4.166 1.878) 8.541 5.569 ( -0.988 -0.570 10.693) 10.754 6.224 ( -8.983 -5.187 2.550) 10.682 6.379 ( -8.288 -4.785 -1.818) 9.741 6.869 ( 14.601 8.430 -3.262) 17.173 7.029 ( 0.698 0.403 -3.082) 3.186 7.803 ( -0.343 -0.198 -7.642) 7.652 7.847 ( 2.939 1.697 -1.527) 3.721 8.001 ( 3.032 1.751 -5.273) 6.330 8.298 ( 4.403 2.542 -6.862) 8.541 8.545 ( -0.772 -0.446 -2.763) 2.904 8.653 ( -5.214 -3.010 -3.193) 6.815 9.093 ( 3.656 2.111 -3.880) 5.734 22.548 ( 1.178 0.680 1.984) 2.406 22.678 ( 0.073 0.042 2.288) 2.289 22.823 ( 0.769 0.444 4.454) 4.542 31.386 ( -1.388 -0.801 -0.683) 1.742 31.572 ( 1.467 0.847 -1.939) 2.575 31.651 ( -0.397 -0.229 -1.311) 1.389 40.468 ( 1.356 0.783 -1.633) 2.263 40.538 ( 1.491 0.861 -1.963) 2.611 40.725 ( -0.356 -0.205 0.492) 0.641 41.359 ( -0.670 -0.387 2.741) 2.848 41.552 ( 1.131 0.653 -0.269) 1.333 41.753 ( -0.881 -0.509 -0.853) 1.328 47.122 ( 1.677 0.968 4.579) 4.972 47.377 ( -0.142 -0.082 2.429) 2.434 49.067 ( -12.107 -6.990 -37.259) 39.796 87.557 ( 0.222 0.128 0.763) 0.805 87.563 ( 0.098 0.056 0.460) 0.474 87.572 ( 0.083 0.048 0.422) 0.432======================= Grid point 668 (212/288) =======================q-point: (-0.21 0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( -9.615 -5.551 14.771) 18.478 2.214 ( -13.509 -7.799 19.660) 25.096 3.134 ( 15.073 8.703 8.991) 19.590 3.366 ( -7.937 -4.583 26.080) 27.644 4.228 ( -2.285 -1.319 -2.578) 3.689 4.327 ( -15.455 -8.923 1.180) 17.885 4.961 ( 4.302 2.484 -10.413) 11.537 5.378 ( -2.084 -1.203 6.473) 6.905 5.505 ( 4.223 2.438 8.806) 10.066 5.765 ( 3.418 1.974 8.770) 9.617 6.218 ( -4.083 -2.357 4.206) 6.318 6.276 ( -8.543 -4.932 -1.039) 9.919 6.928 ( 12.952 7.478 -3.211) 15.297 6.981 ( 2.055 1.186 -3.243) 4.018 7.711 ( 1.737 1.003 -3.504) 4.038 7.799 ( 3.807 2.198 -7.881) 9.024 7.914 ( -0.434 -0.251 -5.382) 5.405 8.222 ( 0.921 0.532 -5.377) 5.481 8.516 ( 0.301 0.174 -0.160) 0.383 8.540 ( -4.434 -2.560 -2.559) 5.724 9.099 ( 0.276 0.159 2.111) 2.135 22.601 ( 1.189 0.686 2.727) 3.053 22.714 ( -1.091 -0.630 2.418) 2.726 22.903 ( 2.601 1.502 2.452) 3.878 31.363 ( -1.118 -0.646 -0.700) 1.469 31.546 ( 1.263 0.729 -2.376) 2.788 31.618 ( -0.502 -0.290 -1.816) 1.907 40.452 ( 1.610 0.930 -1.703) 2.521 40.517 ( 1.745 1.008 -1.901) 2.770 40.729 ( 0.172 0.099 -0.164) 0.258 41.402 ( 0.321 0.185 2.130) 2.162 41.551 ( 0.804 0.464 -0.861) 1.266 41.719 ( -1.564 -0.903 -1.764) 2.524 47.207 ( 0.482 0.278 3.607) 3.649 47.395 ( -1.881 -1.086 0.596) 2.252 48.332 ( -14.137 -8.162 -29.265) 33.510 87.567 ( 0.019 0.011 0.297) 0.298 87.573 ( 0.026 0.015 0.547) 0.548 87.589 ( 0.578 0.334 0.992) 1.196======================= Grid point 675 (213/288) =======================q-point: ( 0.29 -0.71 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.694 ( -0.000 0.683 -18.277) 18.290 2.927 ( 0.000 -5.657 -1.704) 5.908 2.962 ( 0.000 -0.373 3.099) 3.121 3.299 ( -0.000 -0.156 -28.937) 28.937 4.443 ( 0.000 -8.452 0.534) 8.468 4.583 ( -0.000 8.734 1.653) 8.889 5.246 ( -0.000 -4.586 -15.461) 16.127 5.317 ( -0.000 4.895 -14.245) 15.062 5.778 ( 0.000 -1.172 -3.708) 3.889 6.063 ( 0.000 -4.059 9.186) 10.043 6.087 ( -0.000 -1.993 -15.892) 16.017 6.152 ( -0.000 6.294 7.044) 9.446 6.795 ( 0.000 -8.817 -0.834) 8.857 6.919 ( -0.000 4.831 0.422) 4.849 7.226 ( 0.000 0.778 7.290) 7.332 7.840 ( -0.000 4.976 10.273) 11.414 7.993 ( 0.000 -4.619 13.499) 14.268 8.052 ( 0.000 2.921 15.736) 16.005 8.597 ( 0.000 -3.983 1.352) 4.206 8.656 ( -0.000 3.597 0.758) 3.676 9.600 ( -0.000 -2.111 -10.335) 10.549 22.670 ( 0.000 -2.457 -2.268) 3.344 22.700 ( -0.000 0.472 -2.890) 2.928 22.723 ( -0.000 2.124 -3.258) 3.889 31.481 ( 0.000 -1.628 0.710) 1.776 31.505 ( -0.000 1.173 0.850) 1.448 31.553 ( 0.000 0.422 3.157) 3.185 40.546 ( 0.000 -0.493 0.343) 0.600 40.550 ( -0.000 -0.016 -0.218) 0.218 40.685 ( 0.000 -0.167 3.073) 3.078 41.378 ( 0.000 -1.635 -0.895) 1.864 41.410 ( -0.000 2.338 -0.514) 2.393 41.717 ( 0.000 0.035 2.032) 2.032 46.808 ( 0.000 -1.435 -0.612) 1.560 46.848 ( -0.000 4.446 1.455) 4.678 49.781 ( 0.000 -3.894 22.245) 22.584 87.559 ( -0.000 0.056 -0.561) 0.564 87.559 ( -0.000 0.040 -0.658) 0.660 87.592 ( -0.000 -0.060 -0.736) 0.739======================= Grid point 677 (214/288) =======================q-point: (-0.64 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.409 ( 0.689 1.640 -14.399) 14.509 2.763 ( -2.308 -8.958 -19.553) 21.631 2.853 ( -7.413 -5.271 -8.564) 12.493 3.035 ( 1.764 1.407 2.905) 3.678 4.401 ( -2.620 -4.657 -0.533) 5.370 4.617 ( 3.118 7.981 -4.622) 9.735 4.957 ( -0.509 -4.402 -12.226) 13.004 5.088 ( 1.255 5.771 -13.796) 15.007 5.698 ( 0.383 0.711 -5.405) 5.465 5.762 ( -0.695 -1.651 -16.622) 16.718 6.196 ( -0.504 -4.317 8.068) 9.164 6.345 ( 2.119 5.421 8.522) 10.319 6.726 ( -9.555 -8.758 1.448) 13.042 6.971 ( 4.319 2.502 1.394) 5.182 7.357 ( 2.497 1.724 5.904) 6.638 8.040 ( 1.976 4.373 8.996) 10.196 8.162 ( -2.858 -7.678 8.439) 11.761 8.329 ( 0.591 3.554 12.230) 12.750 8.619 ( -1.265 -2.201 3.285) 4.152 8.692 ( 0.846 2.526 1.787) 3.208 9.363 ( 0.541 -1.832 -15.187) 15.306 22.608 ( -0.448 -2.706 -3.183) 4.202 22.658 ( -2.008 1.282 -1.573) 2.855 22.689 ( 2.499 1.575 -2.250) 3.713 31.481 ( -1.305 -1.373 0.528) 1.966 31.528 ( 1.224 1.062 0.612) 1.732 31.607 ( 0.041 0.277 2.675) 2.690 40.539 ( -0.097 -0.385 -0.844) 0.933 40.548 ( -0.002 0.185 0.018) 0.186 40.730 ( -0.213 -0.609 2.181) 2.274 41.357 ( -0.936 -1.587 -0.372) 1.880 41.422 ( 1.332 2.429 0.246) 2.781 41.748 ( 0.024 0.000 1.420) 1.421 46.803 ( 0.894 -2.879 0.797) 3.118 46.921 ( 1.025 7.245 3.767) 8.230 50.101 ( -2.644 -5.016 16.069) 17.040 87.549 ( 0.065 -0.045 -0.557) 0.563 87.551 ( 0.026 0.180 -0.413) 0.451 87.581 ( -0.041 -0.078 -0.484) 0.492======================= Grid point 678 (215/288) =======================q-point: (-0.57 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.212 ( 0.398 1.140 -8.997) 9.078 2.365 ( -5.572 -7.407 -15.182) 17.787 2.651 ( -11.830 -11.153 -4.755) 16.939 3.103 ( -0.836 0.746 3.061) 3.260 4.372 ( -1.353 -0.883 0.198) 1.627 4.491 ( 2.693 1.540 -10.448) 10.899 4.847 ( 1.783 0.945 -2.013) 2.851 4.911 ( 1.908 6.517 -9.477) 11.659 5.507 ( -0.790 -1.769 -10.199) 10.381 5.598 ( 1.080 2.320 -7.208) 7.649 6.309 ( 1.402 -4.092 6.081) 7.463 6.503 ( 0.396 3.848 5.815) 6.984 6.665 ( -12.282 -7.679 3.804) 14.977 7.031 ( 2.021 0.087 2.126) 2.935 7.482 ( 5.746 3.049 3.986) 7.629 8.184 ( -2.040 -6.059 2.231) 6.771 8.210 ( -0.862 0.812 5.202) 5.335 8.472 ( -0.315 3.124 2.272) 3.875 8.668 ( -1.329 -1.976 3.248) 4.028 8.741 ( -2.615 0.979 1.326) 3.091 9.107 ( 7.781 1.875 -13.979) 16.109 22.544 ( -0.583 -1.631 -2.458) 3.007 22.625 ( -0.712 1.326 -1.571) 2.176 22.690 ( 1.177 0.342 0.367) 1.280 31.472 ( -1.687 -1.159 0.193) 2.056 31.549 ( 1.607 0.982 0.177) 1.892 31.648 ( 0.004 0.133 1.812) 1.816 40.518 ( -0.083 -0.286 -1.214) 1.250 40.548 ( 0.318 0.655 -0.378) 0.821 40.754 ( -0.521 -0.929 1.075) 1.513 41.342 ( -1.503 -1.571 0.307) 2.196 41.452 ( 1.857 2.134 0.805) 2.941 41.767 ( -0.047 -0.103 0.795) 0.803 46.829 ( 1.853 -3.651 2.505) 4.800 47.043 ( 1.329 8.497 5.319) 10.112 50.253 ( -3.256 -4.697 4.871) 7.509 87.541 ( 0.026 -0.075 -0.342) 0.351 87.547 ( 0.100 0.211 -0.170) 0.289 87.574 ( -0.069 -0.088 -0.221) 0.248======================= Grid point 679 (216/288) =======================q-point: (-0.50 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( -8.094 -13.122 -3.224) 15.751 2.153 ( -8.809 -0.962 -1.414) 8.973 2.477 ( -7.936 -4.829 -1.988) 9.500 3.118 ( -3.597 -1.198 0.474) 3.821 4.380 ( -0.918 -0.510 1.444) 1.786 4.429 ( 5.090 0.715 1.512) 5.358 4.821 ( 2.696 3.646 -2.372) 5.117 4.859 ( 0.595 5.049 -1.486) 5.297 5.393 ( -0.861 -2.051 -1.045) 2.458 5.475 ( 1.616 3.962 -9.041) 10.002 6.390 ( 1.424 -5.204 3.522) 6.443 6.573 ( -3.206 -1.794 2.885) 4.671 6.644 ( -9.666 -1.450 4.138) 10.614 7.067 ( -0.079 -1.287 1.401) 1.903 7.599 ( 8.525 3.887 2.253) 9.636 8.128 ( -2.282 -5.921 -2.475) 6.811 8.221 ( -4.110 0.174 -5.052) 6.515 8.467 ( 1.043 2.984 -4.341) 5.370 8.667 ( -0.759 -1.538 -0.631) 1.828 8.695 ( -3.463 0.297 -0.475) 3.508 9.045 ( 12.726 5.736 -5.772) 15.105 22.506 ( -0.124 -0.816 -0.906) 1.226 22.609 ( -0.123 1.354 -0.310) 1.395 22.717 ( -0.003 -0.674 2.267) 2.365 31.456 ( -1.787 -0.999 -0.206) 2.057 31.562 ( 1.745 0.956 -0.441) 2.037 31.671 ( -0.080 -0.028 0.728) 0.733 40.495 ( 0.181 0.136 -1.362) 1.380 40.544 ( 0.821 0.962 -0.866) 1.533 40.755 ( -0.915 -1.122 0.162) 1.457 41.337 ( -1.826 -1.599 1.140) 2.682 41.488 ( 1.877 1.660 0.880) 2.656 41.775 ( -0.236 -0.258 0.328) 0.479 46.889 ( 2.950 -4.097 4.141) 6.530 47.182 ( 0.787 8.195 5.506) 9.904 50.173 ( -2.606 -3.175 -10.339) 11.125 87.537 ( -0.025 -0.080 0.024) 0.087 87.548 ( 0.146 0.194 0.094) 0.261 87.571 ( -0.090 -0.096 -0.034) 0.136======================= Grid point 680 (217/288) =======================q-point: (-0.43 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( -13.760 -16.749 2.688) 21.843 2.129 ( -19.122 -2.523 10.294) 21.863 2.478 ( 5.012 3.872 3.259) 7.123 3.098 ( -4.799 -3.223 3.049) 6.536 4.378 ( -2.064 -1.221 -0.584) 2.468 4.600 ( 3.778 -0.216 11.017) 11.649 4.829 ( 0.686 -1.823 1.324) 2.356 4.924 ( 2.218 9.401 6.419) 11.598 5.324 ( 2.456 4.582 -10.391) 11.619 5.444 ( -1.409 -1.399 7.197) 7.466 6.394 ( -4.179 -9.416 1.165) 10.367 6.573 ( -4.372 0.352 -0.079) 4.386 6.655 ( -1.640 0.753 2.014) 2.704 7.065 ( -0.351 -1.934 -0.829) 2.133 7.702 ( 9.828 3.644 0.313) 10.487 7.989 ( 0.549 -3.107 -11.762) 12.178 8.076 ( -3.883 2.102 -4.350) 6.199 8.365 ( 1.649 3.201 -8.453) 9.188 8.637 ( -1.894 -1.651 -2.885) 3.826 8.719 ( -1.835 0.146 4.051) 4.450 9.033 ( 10.106 5.477 -6.640) 13.275 22.504 ( 0.423 -0.212 0.750) 0.887 22.626 ( 0.430 1.428 1.475) 2.097 22.762 ( -0.610 -1.322 3.452) 3.746 31.433 ( -1.733 -0.844 -0.573) 2.011 31.563 ( 1.731 0.929 -1.163) 2.282 31.673 ( -0.182 -0.194 -0.365) 0.451 40.474 ( 0.533 0.641 -1.524) 1.737 40.535 ( 1.380 1.156 -1.552) 2.377 40.743 ( -1.156 -1.143 -0.068) 1.628 41.346 ( -1.628 -1.458 1.916) 2.906 41.518 ( 1.620 1.167 0.524) 2.065 41.774 ( -0.457 -0.418 -0.024) 0.620 46.979 ( 3.801 -4.234 5.100) 7.641 47.303 ( -0.087 6.291 4.448) 7.705 49.817 ( -4.090 -1.822 -26.011) 26.393 87.542 ( 0.038 -0.039 0.489) 0.492 87.553 ( 0.135 0.164 0.329) 0.392 87.570 ( -0.092 -0.097 0.072) 0.152======================= Grid point 681 (218/288) =======================q-point: (-0.36 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -16.454 -9.272 6.547) 19.990 2.232 ( -18.276 -5.069 16.377) 25.058 2.660 ( 11.808 6.965 7.555) 15.653 3.185 ( -5.280 -4.374 13.097) 14.783 4.326 ( -1.981 -1.447 -2.818) 3.736 4.648 ( -9.965 -4.667 -0.511) 11.016 5.014 ( 7.434 -2.165 8.463) 11.470 5.098 ( 1.334 7.860 4.726) 9.268 5.243 ( 4.475 7.833 3.718) 9.757 5.595 ( -2.373 -2.234 10.954) 11.428 6.324 ( -5.434 -10.798 -0.115) 12.088 6.507 ( -9.401 1.814 -1.954) 9.772 6.698 ( 8.728 2.421 -1.161) 9.131 7.021 ( 0.301 -1.919 -2.983) 3.560 7.753 ( 8.759 1.193 -3.875) 9.652 7.792 ( 3.473 1.890 -9.847) 10.611 8.000 ( -2.259 2.649 -3.643) 5.039 8.242 ( 3.524 4.630 -8.234) 10.082 8.560 ( -1.340 -1.371 -3.202) 3.732 8.716 ( -3.979 -1.167 -2.422) 4.802 9.036 ( 4.561 3.472 0.152) 5.734 22.534 ( 0.811 0.184 2.068) 2.229 22.672 ( 0.653 1.198 2.429) 2.786 22.819 ( -0.097 -1.176 3.704) 3.888 31.407 ( -1.573 -0.677 -0.815) 1.897 31.551 ( 1.597 0.875 -1.843) 2.591 31.655 ( -0.284 -0.338 -1.248) 1.324 40.453 ( 0.886 1.026 -1.755) 2.217 40.516 ( 1.686 1.273 -2.241) 3.080 40.733 ( -0.827 -0.889 0.243) 1.238 41.370 ( -0.894 -1.084 2.209) 2.618 41.536 ( 1.271 0.768 -0.063) 1.486 41.764 ( -0.728 -0.605 -0.564) 1.102 47.082 ( 3.975 -3.916 5.215) 7.638 47.381 ( -0.683 2.743 2.653) 3.877 49.213 ( -9.378 -1.157 -34.744) 36.005 87.554 ( 0.205 0.019 0.780) 0.806 87.562 ( 0.077 0.155 0.510) 0.538 87.572 ( -0.003 -0.055 0.216) 0.223======================= Grid point 682 (219/288) =======================q-point: (-0.29 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( -13.927 -2.216 10.774) 17.747 2.397 ( -13.353 -5.338 16.336) 21.764 2.935 ( 13.824 7.878 9.921) 18.751 3.452 ( -4.524 -3.600 21.484) 22.248 4.250 ( -1.406 -1.778 -3.504) 4.174 4.525 ( -12.266 -6.228 -1.168) 13.806 4.916 ( 1.885 6.108 -11.769) 13.393 5.363 ( 4.581 -1.250 11.551) 12.489 5.464 ( 0.987 4.201 10.503) 11.355 5.757 ( -1.953 0.014 9.197) 9.402 6.260 ( -2.539 -9.125 0.934) 9.518 6.412 ( -10.318 1.376 -1.495) 10.516 6.751 ( 11.795 1.895 -1.263) 12.013 6.964 ( 0.880 1.168 -3.121) 3.447 7.669 ( 4.120 0.230 -5.807) 7.123 7.717 ( 8.084 3.128 -9.456) 12.828 7.929 ( -0.950 0.128 -3.711) 3.832 8.180 ( 3.901 6.669 -4.223) 8.805 8.513 ( 0.089 -1.604 -0.814) 1.801 8.616 ( -5.831 -1.050 -3.185) 6.727 9.101 ( -0.396 1.326 3.752) 4.000 22.586 ( 0.974 0.410 2.883) 3.071 22.722 ( -0.045 0.379 2.527) 2.556 22.877 ( 1.186 -0.327 2.570) 2.850 31.379 ( -1.343 -0.503 -0.853) 1.669 31.528 ( 1.404 0.791 -2.297) 2.806 31.624 ( -0.376 -0.434 -1.760) 1.851 40.432 ( 1.240 1.254 -1.864) 2.566 40.491 ( 1.971 1.497 -2.393) 3.442 40.731 ( -0.406 -0.685 0.148) 0.810 41.400 ( -0.043 -0.646 1.870) 1.979 41.539 ( 0.929 0.518 -0.690) 1.268 41.738 ( -1.224 -0.899 -1.354) 2.035 47.183 ( 3.136 -2.995 4.815) 6.480 47.406 ( -0.499 -2.644 0.502) 2.738 48.528 ( -13.971 1.175 -31.413) 34.400 87.566 ( 0.065 -0.073 0.379) 0.392 87.573 ( 0.002 0.140 0.565) 0.582 87.582 ( 0.456 0.176 0.823) 0.957======================= Grid point 683 (220/288) =======================q-point: (-0.21 0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( -7.973 1.461 13.359) 15.626 2.589 ( -9.573 -4.604 16.171) 19.348 3.239 ( 13.050 8.027 9.941) 18.264 3.799 ( -2.611 -2.127 19.569) 19.857 4.179 ( -0.127 -1.914 -2.710) 3.320 4.429 ( -10.501 -5.116 2.696) 11.988 4.759 ( 4.121 7.464 -10.664) 13.653 5.463 ( -4.129 -2.360 1.550) 5.002 5.625 ( 0.956 0.045 5.517) 5.599 5.875 ( -0.833 0.322 4.482) 4.570 6.256 ( 0.753 -3.720 1.504) 4.083 6.334 ( -9.442 -0.102 -0.068) 9.443 6.824 ( 11.704 -5.025 0.650) 12.754 6.964 ( 1.396 9.396 0.634) 9.520 7.560 ( 6.476 1.207 -13.141) 14.700 7.640 ( 4.981 0.829 -2.572) 5.667 7.858 ( -1.165 -1.822 -3.257) 3.909 8.162 ( -1.387 4.356 -2.460) 5.191 8.511 ( 0.493 -3.314 1.044) 3.510 8.555 ( -3.648 1.426 0.634) 3.967 9.171 ( -1.384 1.100 4.700) 5.022 22.649 ( 0.952 0.508 3.203) 3.380 22.762 ( -0.830 -0.378 2.322) 2.495 22.918 ( 1.803 0.304 0.719) 1.965 31.356 ( -1.069 -0.333 -0.633) 1.286 31.497 ( 1.238 0.700 -2.385) 2.776 31.587 ( -0.471 -0.477 -1.838) 1.957 40.415 ( 1.613 1.376 -1.654) 2.689 40.472 ( 2.395 1.831 -2.134) 3.693 40.723 ( -0.597 -0.872 -0.457) 1.152 41.428 ( 0.533 -0.330 1.222) 1.373 41.529 ( 0.634 0.445 -1.195) 1.424 41.694 ( -1.855 -1.233 -1.803) 2.866 47.256 ( -0.281 -2.225 2.188) 3.133 47.375 ( 1.227 -8.955 -1.026) 9.097 47.994 ( -12.572 6.869 -18.787) 23.626 87.571 ( 0.043 -0.033 0.235) 0.241 87.583 ( -0.041 0.073 0.568) 0.574 87.603 ( 0.663 0.287 0.869) 1.130======================= Grid point 691 (221/288) =======================q-point: ( 0.36 -0.64 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( -0.000 3.330 -9.237) 9.819 2.403 ( 0.000 -8.471 -14.592) 16.873 2.747 ( 0.000 -15.109 -3.547) 15.520 3.102 ( -0.000 3.612 2.843) 4.597 4.384 ( 0.000 -1.522 -0.244) 1.542 4.469 ( -0.000 1.806 -10.815) 10.964 4.832 ( -0.000 2.784 -2.473) 3.724 4.898 ( -0.000 7.325 -9.834) 12.262 5.512 ( -0.000 -1.867 -10.293) 10.461 5.590 ( -0.000 2.568 -7.280) 7.720 6.298 ( 0.000 -6.216 5.834) 8.524 6.499 ( -0.000 6.685 6.451) 9.290 6.768 ( 0.000 -10.698 3.487) 11.252 7.005 ( -0.000 1.924 3.043) 3.601 7.440 ( -0.000 2.053 3.552) 4.103 8.187 ( 0.000 -0.094 5.224) 5.225 8.227 ( 0.000 -6.978 3.210) 7.681 8.473 ( -0.000 5.588 1.653) 5.828 8.677 ( 0.000 -2.528 3.035) 3.950 8.764 ( -0.000 3.055 4.978) 5.841 9.046 ( -0.000 -0.629 -18.398) 18.408 22.549 ( 0.000 -2.400 -2.459) 3.436 22.631 ( -0.000 2.635 -2.474) 3.614 22.680 ( 0.000 -0.167 1.336) 1.346 31.486 ( 0.000 -1.438 0.175) 1.449 31.535 ( -0.000 1.236 0.176) 1.249 31.648 ( 0.000 0.171 1.829) 1.837 40.519 ( 0.000 -0.535 -1.208) 1.321 40.545 ( -0.000 0.973 -0.581) 1.133 40.757 ( 0.000 -1.115 1.169) 1.616 41.354 ( 0.000 -2.216 0.459) 2.263 41.437 ( -0.000 2.854 0.791) 2.961 41.768 ( 0.000 -0.122 0.844) 0.853 46.815 ( 0.000 -5.196 2.646) 5.831 47.035 ( -0.000 10.571 5.288) 11.820 50.275 ( 0.000 -5.101 4.206) 6.612 87.540 ( 0.000 -0.129 -0.296) 0.323 87.546 ( -0.000 0.264 -0.194) 0.328 87.574 ( 0.000 -0.093 -0.223) 0.242======================= Grid point 693 (222/288) =======================q-point: (-0.57 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( -0.392 2.861 -3.088) 4.228 2.210 ( -2.148 -14.082 -1.194) 14.295 2.625 ( -8.361 -11.132 -0.129) 13.923 3.133 ( 0.455 3.013 -1.502) 3.397 4.365 ( 2.150 -1.506 0.462) 2.665 4.398 ( -0.181 0.051 1.871) 1.880 4.804 ( -0.286 7.967 -2.897) 8.482 4.834 ( 2.397 6.728 -1.709) 7.344 5.401 ( -0.369 -2.151 -1.047) 2.420 5.461 ( 0.539 4.682 -9.095) 10.243 6.360 ( 1.390 -6.274 3.413) 7.276 6.606 ( -1.296 5.284 2.922) 6.175 6.772 ( -6.304 -10.180 4.327) 12.732 7.068 ( -0.062 -0.644 2.936) 3.007 7.504 ( 4.502 2.731 1.084) 5.376 8.150 ( -0.788 -7.828 -3.688) 8.689 8.265 ( -1.893 0.069 -2.976) 3.527 8.458 ( 0.277 5.425 -5.103) 7.453 8.675 ( -0.317 -1.584 -1.752) 2.383 8.758 ( -5.855 1.514 -3.685) 7.082 8.888 ( 9.819 3.970 -2.499) 10.882 22.508 ( -0.113 -1.728 -0.981) 1.990 22.610 ( -0.064 2.628 -0.854) 2.764 22.716 ( 0.088 -0.996 2.786) 2.960 31.476 ( -1.029 -1.156 -0.260) 1.569 31.542 ( 1.014 1.106 -0.412) 1.556 31.672 ( -0.028 -0.005 0.760) 0.760 40.495 ( -0.015 -0.151 -1.378) 1.386 40.535 ( 0.373 1.416 -1.211) 1.900 40.764 ( -0.345 -1.390 0.303) 1.464 41.356 ( -0.870 -2.260 1.156) 2.684 41.468 ( 0.904 2.370 0.978) 2.719 41.778 ( -0.086 -0.302 0.423) 0.527 46.858 ( 1.333 -6.387 4.259) 7.792 47.178 ( 0.025 11.188 5.603) 12.512 50.198 ( -0.946 -3.846 -10.657) 11.369 87.538 ( -0.014 -0.150 0.046) 0.158 87.547 ( 0.057 0.271 0.086) 0.290 87.572 ( -0.032 -0.108 -0.036) 0.118======================= Grid point 694 (223/288) =======================q-point: (-0.50 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -7.905 -10.373 3.022) 13.387 2.226 ( 2.344 -5.943 6.685) 9.247 2.578 ( -15.894 -1.067 6.947) 17.379 3.107 ( 2.974 0.177 -1.350) 3.271 4.404 ( -1.724 -1.389 -0.230) 2.226 4.522 ( 5.695 -0.823 12.462) 13.726 4.824 ( 0.464 3.567 -0.556) 3.639 4.899 ( 1.675 10.848 6.981) 13.009 5.307 ( 0.356 6.849 -10.564) 12.595 5.456 ( -0.314 -2.222 7.585) 7.910 6.387 ( 2.282 -5.999 0.753) 6.462 6.617 ( -3.388 0.438 -0.916) 3.536 6.760 ( -8.133 -6.378 3.208) 10.821 7.082 ( -2.365 -3.384 0.201) 4.134 7.564 ( 9.549 2.741 -0.934) 9.978 7.977 ( 0.886 -3.113 -13.621) 14.000 8.130 ( -3.464 2.361 -5.662) 7.045 8.349 ( 0.660 5.153 -9.364) 10.708 8.658 ( -1.165 -2.600 -2.392) 3.720 8.744 ( -2.115 2.109 4.575) 5.464 8.907 ( 8.064 4.292 -3.636) 9.832 22.501 ( 0.128 -1.038 0.729) 1.274 22.622 ( 0.180 2.507 0.973) 2.695 22.767 ( -0.190 -1.700 3.525) 3.918 31.456 ( -1.446 -0.854 -0.673) 1.809 31.541 ( 1.438 0.977 -1.084) 2.049 31.675 ( -0.093 -0.213 -0.326) 0.401 40.470 ( 0.099 0.555 -1.546) 1.645 40.518 ( 0.938 1.531 -1.860) 2.585 40.756 ( -0.678 -1.444 -0.097) 1.598 41.366 ( -1.149 -2.042 1.626) 2.852 41.498 ( 1.181 1.652 0.716) 2.153 41.779 ( -0.261 -0.516 0.083) 0.584 46.932 ( 2.764 -6.875 5.341) 9.134 47.308 ( -0.520 9.266 4.492) 10.311 49.861 ( -2.217 -1.594 -24.525) 24.677 87.541 ( 0.012 -0.119 0.431) 0.447 87.552 ( 0.078 0.240 0.352) 0.433 87.571 ( -0.051 -0.118 0.056) 0.140======================= Grid point 695 (224/288) =======================q-point: (-0.43 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( -12.305 -9.413 6.485) 16.795 2.389 ( 1.632 -1.622 10.529) 10.777 2.626 ( -12.757 4.058 8.582) 15.901 3.198 ( 3.431 -2.586 10.629) 11.464 4.353 ( -1.963 -1.474 -3.023) 3.894 4.708 ( 0.956 0.936 -1.206) 1.801 4.922 ( 4.650 -2.726 14.001) 15.002 5.110 ( -2.138 9.911 -0.390) 10.146 5.197 ( 2.619 10.180 5.371) 11.805 5.624 ( -1.615 -3.097 12.222) 12.711 6.362 ( -0.334 -7.508 -1.481) 7.660 6.556 ( 0.080 -0.296 -3.772) 3.784 6.718 ( -8.893 -3.431 0.862) 9.571 7.027 ( -1.559 -4.575 -2.511) 5.447 7.606 ( 11.912 1.503 -4.063) 12.676 7.747 ( 3.165 2.176 -12.109) 12.703 8.042 ( -3.617 5.024 -4.517) 7.663 8.201 ( 2.747 5.881 -9.658) 11.637 8.578 ( -1.221 -2.664 -3.617) 4.655 8.760 ( -2.552 0.508 -2.339) 3.499 8.975 ( 4.162 3.304 4.982) 7.284 22.526 ( 0.432 -0.467 2.138) 2.230 22.663 ( 0.529 2.245 2.208) 3.193 22.822 ( -0.176 -2.006 3.452) 3.997 31.428 ( -1.521 -0.594 -0.955) 1.892 31.530 ( 1.520 0.891 -1.726) 2.467 31.658 ( -0.170 -0.409 -1.210) 1.288 40.445 ( 0.303 1.209 -1.821) 2.207 40.494 ( 1.429 1.581 -2.437) 3.237 40.744 ( -0.711 -1.313 0.037) 1.494 41.382 ( -0.828 -1.670 1.763) 2.566 41.519 ( 1.091 1.054 0.166) 1.526 41.772 ( -0.481 -0.767 -0.387) 0.985 47.026 ( 3.807 -6.753 5.719) 9.633 47.394 ( -0.995 5.011 2.446) 5.664 49.316 ( -5.797 1.371 -32.581) 33.121 87.552 ( 0.136 -0.067 0.727) 0.743 87.561 ( 0.050 0.219 0.552) 0.596 87.572 ( -0.023 -0.097 0.121) 0.156======================= Grid point 696 (225/288) =======================q-point: (-0.36 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( -14.053 -1.155 8.816) 16.630 2.555 ( -7.553 -3.104 11.241) 13.894 2.785 ( 5.932 7.236 10.043) 13.727 3.484 ( -0.213 -3.037 20.119) 20.348 4.271 ( -1.698 -1.593 -3.968) 4.601 4.621 ( -1.507 -2.768 -5.570) 6.400 4.919 ( -2.004 10.289 -11.557) 15.603 5.291 ( 4.588 -1.957 15.550) 16.331 5.465 ( -0.465 6.744 12.438) 14.156 5.802 ( -4.104 -1.980 10.231) 11.200 6.289 ( -1.878 -8.895 -1.026) 9.149 6.500 ( 0.440 1.455 -3.349) 3.678 6.671 ( -3.093 -2.315 0.831) 3.952 6.958 ( -0.054 -2.100 -2.683) 3.407 7.577 ( 10.733 0.657 -8.424) 13.660 7.617 ( 4.940 3.964 -7.454) 9.781 7.932 ( 0.231 1.293 -7.002) 7.124 8.139 ( 2.076 9.840 -3.147) 10.538 8.514 ( -0.251 -2.832 -1.480) 3.205 8.685 ( -4.231 0.431 -2.887) 5.140 9.106 ( -0.260 1.392 6.402) 6.557 22.575 ( 0.649 -0.032 3.018) 3.087 22.718 ( 0.532 1.615 2.498) 3.022 22.869 ( 0.226 -1.720 2.607) 3.132 31.398 ( -1.417 -0.364 -1.023) 1.785 31.508 ( 1.431 0.812 -2.182) 2.733 31.629 ( -0.248 -0.548 -1.720) 1.822 40.419 ( 0.641 1.593 -2.012) 2.645 40.466 ( 1.779 1.800 -2.664) 3.674 40.738 ( -0.526 -1.170 0.177) 1.295 41.402 ( -0.217 -1.235 1.534) 1.981 41.527 ( 0.850 0.685 -0.461) 1.185 41.752 ( -0.838 -1.088 -1.049) 1.728 47.130 ( 4.209 -5.994 5.654) 9.252 47.416 ( -0.941 -1.410 -0.116) 1.699 48.694 ( -10.244 5.799 -31.441) 33.573 87.565 ( 0.090 -0.097 0.556) 0.571 87.573 ( 0.029 0.173 0.537) 0.565 87.577 ( 0.249 0.090 0.586) 0.643======================= Grid point 697 (226/288) =======================q-point: (-0.29 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.154 ( -11.806 3.634 9.959) 15.867 2.699 ( -6.304 -3.121 12.253) 14.129 3.074 ( 10.888 8.546 11.382) 17.920 3.831 ( -2.063 -2.252 19.477) 19.715 4.184 ( -0.710 -2.183 -3.703) 4.357 4.509 ( -0.456 -3.143 -4.042) 5.141 4.741 ( -1.702 11.365 -11.138) 16.004 5.492 ( -0.615 -2.548 5.091) 5.727 5.635 ( -2.378 1.485 6.581) 7.153 5.901 ( -2.669 -0.141 4.556) 5.282 6.257 ( -1.142 -4.977 0.681) 5.151 6.449 ( -6.180 -0.018 -0.246) 6.185 6.699 ( 5.468 -5.952 2.428) 8.439 6.944 ( 1.655 4.790 0.805) 5.131 7.461 ( 8.212 0.333 -11.925) 14.483 7.569 ( 5.318 3.566 -3.636) 7.364 7.844 ( 2.969 -2.264 -4.001) 5.472 8.158 ( 0.952 9.509 -0.833) 9.592 8.503 ( 0.610 -2.996 1.136) 3.262 8.619 ( -5.034 0.607 -0.884) 5.147 9.202 ( -2.795 0.577 5.329) 6.045 22.638 ( 0.743 0.274 3.350) 3.443 22.767 ( 0.120 0.732 2.151) 2.275 22.901 ( 0.616 -1.081 1.313) 1.809 31.371 ( -1.210 -0.166 -0.824) 1.473 31.480 ( 1.294 0.721 -2.308) 2.743 31.593 ( -0.330 -0.605 -1.789) 1.918 40.397 ( 1.096 1.752 -1.876) 2.791 40.441 ( 2.170 2.167 -2.440) 3.920 40.731 ( -0.596 -1.264 -0.061) 1.399 41.422 ( 0.321 -0.851 1.095) 1.423 41.521 ( 0.575 0.565 -0.990) 1.277 41.716 ( -1.363 -1.433 -1.523) 2.496 47.234 ( 3.446 -4.429 5.116) 7.593 47.363 ( -0.009 -9.296 -3.005) 9.770 48.166 ( -12.057 11.907 -22.197) 27.926 87.571 ( -0.008 -0.068 0.221) 0.231 87.584 ( 0.029 0.113 0.583) 0.595 87.595 ( 0.533 0.244 0.832) 1.018======================= Grid point 698 (227/288) =======================q-point: (-0.21 0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -6.170 3.543 9.776) 12.091 2.873 ( -4.380 -1.563 11.897) 12.774 3.370 ( 9.679 8.897 9.664) 16.317 4.039 ( -1.627 -5.456 4.694) 7.379 4.156 ( -0.711 0.859 2.575) 2.806 4.484 ( 4.007 -0.078 1.079) 4.151 4.620 ( 0.509 11.118 -5.768) 12.536 5.478 ( -4.073 -2.736 -1.592) 5.159 5.694 ( -2.567 0.897 1.958) 3.351 5.952 ( -2.553 -2.884 3.901) 5.482 6.224 ( 1.915 -0.358 -3.165) 3.716 6.395 ( -9.239 -0.665 -0.451) 9.274 6.773 ( 7.267 -7.935 4.143) 11.530 7.032 ( 1.827 8.116 3.396) 8.986 7.288 ( 5.772 0.052 -12.409) 13.686 7.567 ( 5.016 -1.009 -1.917) 5.464 7.798 ( 1.084 -1.117 -2.237) 2.725 8.174 ( -2.687 5.428 -0.485) 6.076 8.526 ( 0.286 -2.974 2.119) 3.663 8.599 ( -2.485 0.635 1.117) 2.798 9.275 ( -1.895 1.283 4.789) 5.308 22.703 ( 0.743 0.448 3.189) 3.305 22.799 ( -0.242 0.070 1.367) 1.390 22.915 ( 0.573 -0.585 0.133) 0.829 31.353 ( -0.934 -0.023 -0.353) 0.999 31.452 ( 1.187 0.633 -2.053) 2.455 31.558 ( -0.436 -0.595 -1.467) 1.642 40.383 ( 1.592 1.711 -1.366) 2.707 40.427 ( 2.527 2.549 -1.903) 4.062 40.715 ( -1.105 -1.617 -0.438) 2.006 41.439 ( 0.629 -0.582 0.714) 1.116 41.505 ( 0.335 0.658 -1.292) 1.488 41.672 ( -1.813 -1.658 -1.360) 2.808 47.211 ( -1.867 -10.444 -5.491) 11.946 47.346 ( 2.756 -4.613 3.625) 6.482 47.866 ( -8.006 13.906 -9.443) 18.618 87.574 ( 0.065 -0.004 0.180) 0.192 87.594 ( -0.054 0.109 0.475) 0.491 87.613 ( 0.633 0.272 0.625) 0.931======================= Grid point 707 (228/288) =======================q-point: ( 0.43 -0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -0.000 6.064 2.877) 6.712 2.194 ( 0.000 -22.214 5.725) 22.940 2.719 ( 0.000 -3.952 11.457) 12.119 3.065 ( -0.000 3.065 -6.173) 6.892 4.419 ( 0.000 -1.761 -0.218) 1.774 4.478 ( 0.000 -1.188 12.644) 12.700 4.820 ( -0.000 5.965 -1.616) 6.180 4.886 ( -0.000 11.516 8.048) 14.049 5.306 ( -0.000 8.000 -10.690) 13.352 5.457 ( 0.000 -2.846 7.837) 8.338 6.370 ( 0.000 -6.442 1.165) 6.546 6.643 ( -0.000 4.273 -1.859) 4.660 6.817 ( 0.000 -12.140 3.578) 12.656 7.110 ( 0.000 -2.746 1.400) 3.083 7.486 ( -0.000 2.195 -2.008) 2.975 7.970 ( -0.000 -2.896 -14.520) 14.806 8.156 ( -0.000 1.992 -5.956) 6.280 8.345 ( -0.000 6.327 -10.066) 11.889 8.666 ( 0.000 -2.836 -1.743) 3.329 8.769 ( -0.000 3.682 4.951) 6.170 8.839 ( -0.000 2.740 -2.853) 3.955 22.500 ( 0.000 -1.418 0.725) 1.592 22.621 ( -0.000 2.998 0.768) 3.095 22.769 ( 0.000 -1.843 3.584) 4.030 31.467 ( 0.000 -0.966 -0.723) 1.207 31.530 ( -0.000 1.102 -1.041) 1.515 31.675 ( 0.000 -0.218 -0.315) 0.383 40.469 ( -0.000 0.449 -1.519) 1.583 40.512 ( -0.000 1.744 -2.003) 2.656 40.760 ( 0.000 -1.555 -0.103) 1.558 41.374 ( 0.000 -2.396 1.508) 2.831 41.490 ( -0.000 1.978 0.804) 2.135 41.781 ( 0.000 -0.554 0.120) 0.567 46.912 ( 0.000 -7.526 5.415) 9.272 47.312 ( -0.000 10.093 4.490) 11.047 49.876 ( -0.000 -1.598 -24.049) 24.102 87.541 ( 0.000 -0.154 0.409) 0.437 87.551 ( -0.000 0.274 0.362) 0.454 87.572 ( 0.000 -0.125 0.051) 0.135======================= Grid point 709 (229/288) =======================q-point: (-0.50 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.185 ( -8.980 -7.893 7.246) 13.980 2.299 ( 8.063 -1.639 8.150) 11.581 2.870 ( -18.455 1.523 5.769) 19.396 3.092 ( 12.076 -1.147 11.314) 16.588 4.376 ( -1.126 -1.941 -2.942) 3.700 4.668 ( 2.688 3.447 0.309) 4.382 4.888 ( 0.992 -1.227 12.241) 12.343 5.141 ( -2.151 11.382 2.342) 11.817 5.168 ( 1.899 11.407 3.496) 12.080 5.636 ( -0.301 -3.854 13.150) 13.707 6.355 ( 0.539 -5.446 -0.355) 5.484 6.569 ( -1.082 -0.935 -6.369) 6.528 6.812 ( -3.544 -10.134 2.040) 10.928 7.070 ( -3.817 -4.060 -2.599) 6.148 7.462 ( 7.556 1.064 -4.452) 8.834 7.714 ( 1.373 3.617 -13.184) 13.740 8.091 ( -3.015 6.779 -3.897) 8.380 8.164 ( 2.451 6.083 -12.091) 13.755 8.590 ( -0.484 -3.626 -3.889) 5.339 8.784 ( -0.979 1.797 -3.201) 3.799 8.933 ( 1.793 2.588 9.065) 9.596 22.522 ( 0.130 -0.954 2.184) 2.387 22.658 ( 0.187 2.921 1.979) 3.533 22.823 ( -0.060 -2.353 3.422) 4.153 31.445 ( -0.804 -0.624 -1.061) 1.470 31.513 ( 0.801 0.971 -1.632) 2.061 31.660 ( -0.057 -0.443 -1.192) 1.273 40.444 ( -0.030 1.261 -1.800) 2.198 40.479 ( 0.638 1.793 -2.589) 3.213 40.751 ( -0.272 -1.520 -0.074) 1.546 41.390 ( -0.363 -2.107 1.482) 2.602 41.508 ( 0.459 1.361 0.339) 1.476 41.777 ( -0.169 -0.877 -0.304) 0.943 46.989 ( 1.509 -7.739 5.956) 9.881 47.404 ( -0.435 5.958 2.294) 6.399 49.369 ( -1.953 2.257 -31.420) 31.561 87.551 ( 0.047 -0.112 0.688) 0.699 87.561 ( 0.017 0.251 0.573) 0.626 87.572 ( -0.011 -0.113 0.083) 0.141======================= Grid point 710 (230/288) =======================q-point: (-0.43 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.243 ( -11.587 -1.462 9.167) 14.847 2.526 ( 8.360 1.987 9.959) 13.154 2.838 ( -9.067 2.983 3.766) 10.261 3.463 ( 2.795 -2.363 22.332) 22.630 4.296 ( -1.881 -1.606 -3.948) 4.659 4.596 ( 3.486 1.031 -8.684) 9.414 4.943 ( -0.951 12.751 -10.760) 16.712 5.256 ( 0.776 -1.124 16.996) 17.051 5.470 ( -0.114 7.732 13.864) 15.875 5.850 ( -2.508 -3.566 12.207) 12.963 6.316 ( -2.173 -5.903 -1.246) 6.412 6.454 ( 3.584 -3.860 -3.947) 6.582 6.764 ( -6.699 -4.970 0.178) 8.343 6.973 ( -2.584 -3.158 -3.339) 5.273 7.425 ( 10.566 0.107 -7.205) 12.789 7.561 ( 3.189 6.354 -8.447) 11.040 7.931 ( -0.055 3.018 -10.914) 11.324 8.119 ( 1.001 10.695 -1.622) 10.864 8.518 ( -0.265 -3.776 -1.924) 4.247 8.728 ( -2.139 1.444 -2.549) 3.628 9.108 ( -0.059 0.994 8.712) 8.769 22.569 ( 0.312 -0.468 3.115) 3.166 22.711 ( 0.419 2.486 2.352) 3.448 22.868 ( -0.035 -2.422 2.689) 3.620 31.416 ( -1.148 -0.282 -1.170) 1.663 31.490 ( 1.147 0.832 -2.067) 2.505 31.631 ( -0.122 -0.619 -1.697) 1.811 40.415 ( 0.035 1.871 -2.106) 2.817 40.445 ( 1.251 1.939 -2.799) 3.628 40.744 ( -0.338 -1.434 0.118) 1.478 41.405 ( -0.193 -1.650 1.241) 2.073 41.517 ( 0.531 0.887 -0.248) 1.063 41.760 ( -0.428 -1.272 -0.865) 1.597 47.081 ( 2.764 -7.326 6.020) 9.877 47.428 ( -0.722 -0.497 -0.492) 1.005 48.799 ( -5.288 7.777 -30.974) 32.371 87.564 ( 0.069 -0.084 0.737) 0.745 87.572 ( 0.069 0.054 0.393) 0.403 87.576 ( 0.051 0.153 0.480) 0.506======================= Grid point 711 (231/288) =======================q-point: (-0.36 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.324 ( -12.988 4.426 8.258) 16.014 2.734 ( 2.442 -0.650 8.896) 9.248 2.968 ( 3.660 7.566 10.598) 13.527 3.854 ( -1.294 -1.854 21.099) 21.220 4.201 ( -1.900 -2.001 -4.362) 5.162 4.465 ( 5.418 0.282 -8.690) 10.244 4.774 ( -1.978 13.739 -12.205) 18.483 5.501 ( -1.209 -2.540 9.581) 9.985 5.668 ( -1.779 3.478 6.739) 7.790 5.941 ( -3.126 -3.048 2.078) 4.835 6.286 ( -3.004 -5.376 2.164) 6.528 6.467 ( 2.627 -2.915 3.564) 5.301 6.707 ( -5.523 -3.803 0.294) 6.713 6.920 ( 1.685 0.234 -0.494) 1.771 7.341 ( 9.122 -0.528 -9.845) 13.432 7.501 ( 4.471 7.241 -4.287) 9.529 7.797 ( 3.235 -0.763 -5.538) 6.459 8.149 ( 0.439 10.491 -0.593) 10.517 8.496 ( 0.317 -3.288 0.988) 3.448 8.678 ( -3.454 1.134 -1.448) 3.913 9.238 ( -2.348 -0.179 6.666) 7.069 22.630 ( 0.455 -0.024 3.461) 3.491 22.762 ( 0.492 1.766 1.968) 2.689 22.898 ( -0.036 -2.086 1.727) 2.709 31.388 ( -1.181 -0.009 -1.004) 1.550 31.463 ( 1.215 0.708 -2.209) 2.618 31.596 ( -0.192 -0.704 -1.757) 1.902 40.386 ( 0.421 2.105 -2.085) 2.993 40.415 ( 1.671 2.324 -2.582) 3.855 40.738 ( -0.420 -1.476 0.097) 1.538 41.419 ( 0.168 -1.177 0.924) 1.506 41.514 ( 0.414 0.669 -0.784) 1.110 41.731 ( -0.835 -1.677 -1.285) 2.272 47.181 ( 3.707 -6.501 5.856) 9.503 47.371 ( -0.778 -7.596 -3.605) 8.444 48.304 ( -8.056 13.962 -23.640) 28.612 87.571 ( -0.084 -0.072 0.215) 0.242 87.582 ( 0.238 0.040 0.616) 0.662 87.590 ( 0.208 0.300 0.760) 0.843======================= Grid point 712 (232/288) =======================q-point: (-0.29 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( -9.740 4.084 6.601) 12.455 2.903 ( 0.273 0.508 9.387) 9.405 3.250 ( 7.802 9.883 11.199) 16.851 4.066 ( -2.647 -3.785 0.045) 4.619 4.170 ( -1.167 -0.304 6.136) 6.253 4.407 ( 6.474 2.890 -1.641) 7.278 4.622 ( 0.132 12.031 -8.585) 14.780 5.535 ( -4.719 -3.479 -0.991) 5.946 5.735 ( -2.808 2.508 2.234) 4.378 5.960 ( 1.321 -2.639 3.106) 4.284 6.237 ( -3.620 -4.260 -2.856) 6.278 6.506 ( -6.873 -0.219 -0.105) 6.878 6.708 ( 2.024 -7.529 5.453) 9.514 6.994 ( 4.045 4.277 4.140) 7.197 7.206 ( 6.021 -0.970 -10.268) 11.942 7.505 ( 4.124 4.007 -1.921) 6.063 7.761 ( 3.905 -1.843 -1.337) 4.520 8.182 ( 0.667 7.798 -0.142) 7.828 8.521 ( 0.407 -2.607 2.375) 3.550 8.642 ( -3.401 0.612 -0.330) 3.472 9.314 ( -3.456 -0.355 4.527) 5.706 22.694 ( 0.548 0.320 3.276) 3.337 22.797 ( 0.416 1.017 1.035) 1.509 22.913 ( -0.191 -1.597 0.846) 1.817 31.366 ( -1.023 0.158 -0.573) 1.183 31.436 ( 1.170 0.609 -1.976) 2.376 31.563 ( -0.280 -0.699 -1.416) 1.604 40.366 ( 0.965 2.107 -1.613) 2.823 40.396 ( 2.033 2.735 -1.988) 3.945 40.728 ( -0.749 -1.715 -0.119) 1.875 41.431 ( 0.432 -0.769 0.687) 1.118 41.501 ( 0.262 0.666 -1.130) 1.337 41.693 ( -1.288 -1.959 -1.211) 2.639 47.230 ( -0.880 -10.924 -4.573) 11.876 47.297 ( 3.729 -5.236 4.575) 7.890 47.978 ( -7.878 16.295 -13.811) 22.766 87.574 ( -0.007 0.001 0.145) 0.145 87.593 ( 0.085 0.090 0.504) 0.519 87.606 ( 0.421 0.318 0.632) 0.823======================= Grid point 713 (233/288) =======================q-point: (-0.21 0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( -4.090 1.266 4.952) 6.546 3.056 ( -0.349 1.946 6.801) 7.082 3.505 ( 6.607 9.782 6.908) 13.677 4.020 ( 1.480 -4.422 -0.900) 4.749 4.192 ( -0.160 0.923 -1.844) 2.069 4.457 ( 4.429 11.057 -1.865) 12.056 4.634 ( 3.449 5.166 3.823) 7.294 5.444 ( -3.075 -3.684 -3.147) 5.739 5.757 ( -3.932 2.470 2.146) 5.115 6.019 ( 0.375 -3.288 2.748) 4.302 6.145 ( -1.001 -3.576 -2.787) 4.643 6.416 ( -6.033 0.640 -2.955) 6.749 6.805 ( 1.600 -6.581 5.155) 8.511 7.066 ( 3.479 -0.879 -7.083) 7.940 7.099 ( 1.910 4.245 1.483) 4.885 7.501 ( 2.638 -1.645 -1.634) 3.512 7.765 ( 1.544 0.965 -0.660) 1.937 8.208 ( -1.192 4.295 0.282) 4.466 8.550 ( -0.192 -2.319 1.592) 2.819 8.628 ( -1.550 -0.553 0.565) 1.740 9.362 ( -1.365 0.703 3.022) 3.390 22.753 ( 0.588 0.502 2.647) 2.757 22.810 ( 0.350 0.577 -0.281) 0.731 22.914 ( -0.522 -1.249 0.204) 1.369 31.356 ( -0.699 0.168 0.042) 0.720 31.416 ( 1.061 0.587 -1.378) 1.836 31.538 ( -0.407 -0.647 -0.807) 1.111 40.360 ( 1.478 1.880 -0.820) 2.528 40.395 ( 2.301 3.101 -1.102) 4.015 40.710 ( -1.305 -2.041 -0.254) 2.436 41.443 ( 0.493 -0.525 0.540) 0.900 41.485 ( 0.174 0.829 -1.065) 1.361 41.658 ( -1.601 -2.030 -0.681) 2.674 47.090 ( -2.348 -9.640 -4.152) 10.756 47.381 ( 1.202 -2.110 2.664) 3.605 47.836 ( -2.002 11.983 -4.052) 12.807 87.577 ( 0.065 0.040 0.100) 0.126 87.601 ( -0.021 0.132 0.275) 0.306 87.619 ( 0.493 0.319 0.321) 0.669======================= Grid point 723 (234/288) =======================q-point: (-0.50 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.363 ( 0.000 -5.714 10.951) 12.352 2.423 ( -0.000 6.843 8.678) 11.051 2.913 ( 0.000 2.167 -1.286) 2.520 3.436 ( -0.000 -1.879 25.239) 25.309 4.312 ( 0.000 -1.807 -3.710) 4.127 4.566 ( 0.000 2.642 -9.593) 9.950 4.948 ( 0.000 13.142 -10.178) 16.622 5.254 ( 0.000 0.012 16.795) 16.795 5.470 ( 0.000 7.925 14.283) 16.335 5.867 ( 0.000 -4.335 13.279) 13.969 6.337 ( 0.000 -3.952 0.659) 4.007 6.425 ( 0.000 -5.629 -6.577) 8.657 6.809 ( 0.000 -9.684 0.948) 9.730 7.006 ( 0.000 -0.658 -4.900) 4.944 7.338 ( 0.000 -0.391 -6.285) 6.297 7.538 ( 0.000 7.475 -8.846) 11.582 7.932 ( 0.000 3.790 -12.633) 13.189 8.112 ( 0.000 10.811 -0.805) 10.841 8.520 ( 0.000 -4.128 -2.072) 4.618 8.742 ( 0.000 1.803 -2.423) 3.020 9.108 ( 0.000 0.774 9.610) 9.641 22.567 ( 0.000 -0.654 3.152) 3.219 22.708 ( 0.000 2.798 2.274) 3.606 22.868 ( 0.000 -2.621 2.733) 3.787 31.425 ( -0.000 -0.288 -1.229) 1.262 31.481 ( 0.000 0.871 -2.019) 2.199 31.632 ( 0.000 -0.644 -1.690) 1.808 40.416 ( 0.000 2.008 -2.085) 2.895 40.435 ( -0.000 1.948 -2.892) 3.487 40.746 ( 0.000 -1.518 0.086) 1.521 41.407 ( 0.000 -1.815 1.120) 2.132 41.513 ( 0.000 0.985 -0.156) 0.998 41.763 ( 0.000 -1.345 -0.803) 1.567 47.061 ( 0.000 -7.650 6.122) 9.798 47.433 ( 0.000 -0.220 -0.612) 0.651 48.835 ( -0.000 8.319 -30.752) 31.857 87.564 ( 0.000 -0.077 0.807) 0.811 87.571 ( 0.000 -0.007 0.300) 0.300 87.575 ( 0.000 0.193 0.477) 0.515======================= Grid point 725 (235/288) =======================q-point: (-0.43 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.495 ( -11.944 4.127 8.511) 15.236 2.642 ( 9.613 2.895 8.738) 13.309 2.959 ( -0.559 5.033 6.514) 8.250 3.866 ( -0.478 -1.397 23.201) 23.248 4.231 ( -2.043 -1.705 -3.936) 4.751 4.394 ( 3.970 2.021 -11.234) 12.085 4.788 ( -0.364 15.404 -13.273) 20.337 5.520 ( -1.067 -1.665 12.200) 12.359 5.678 ( -0.040 4.236 6.092) 7.421 5.977 ( -1.621 -6.275 0.570) 6.506 6.331 ( -3.097 -4.367 2.267) 5.814 6.422 ( 2.993 -4.559 7.761) 9.485 6.783 ( -3.745 -4.512 0.655) 5.900 6.905 ( 0.391 -0.753 -5.102) 5.172 7.236 ( 5.122 -1.204 -7.216) 8.930 7.457 ( 1.786 9.621 -4.672) 10.844 7.767 ( 1.132 0.595 -6.831) 6.950 8.145 ( 0.136 10.411 -0.542) 10.426 8.494 ( 0.080 -3.548 0.846) 3.649 8.710 ( -1.183 1.551 -1.627) 2.540 9.261 ( -0.881 -0.692 7.642) 7.723 22.626 ( 0.151 -0.239 3.524) 3.535 22.756 ( 0.232 2.298 1.857) 2.964 22.899 ( -0.077 -2.509 1.932) 3.168 31.401 ( -0.647 0.084 -1.103) 1.282 31.449 ( 0.656 0.692 -2.152) 2.354 31.598 ( -0.063 -0.757 -1.741) 1.900 40.385 ( -0.222 2.412 -2.213) 3.280 40.397 ( 0.939 2.291 -2.632) 3.613 40.742 ( -0.150 -1.571 0.143) 1.585 41.417 ( 0.051 -1.341 0.806) 1.565 41.510 ( 0.153 0.732 -0.653) 0.993 41.738 ( -0.282 -1.832 -1.150) 2.181 47.145 ( 1.454 -7.080 5.951) 9.363 47.379 ( -0.348 -6.938 -3.719) 7.879 48.378 ( -2.791 14.722 -24.152) 28.423 87.573 ( -0.122 -0.055 0.148) 0.200 87.578 ( 0.220 -0.030 0.707) 0.741 87.588 ( 0.028 0.343 0.707) 0.786======================= Grid point 726 (236/288) =======================q-point: (-0.36 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( -10.444 2.956 3.766) 11.489 2.863 ( 5.333 4.106 8.657) 10.966 3.169 ( 3.924 9.454 11.158) 15.142 4.115 ( -4.525 -1.157 -4.506) 6.489 4.183 ( -0.598 -0.795 6.193) 6.273 4.317 ( 6.556 2.462 3.239) 7.716 4.614 ( 0.753 14.217 -12.133) 18.706 5.608 ( -5.894 -2.441 0.104) 6.380 5.745 ( 1.986 2.922 1.236) 3.743 5.943 ( 0.389 -6.273 1.728) 6.518 6.296 ( -4.057 -5.538 -1.514) 7.030 6.571 ( -2.647 -0.235 2.987) 3.998 6.725 ( -4.358 -5.535 2.734) 7.557 6.920 ( 6.754 0.697 3.470) 7.625 7.135 ( 4.059 -1.517 -6.917) 8.162 7.459 ( 2.516 8.508 -1.613) 9.017 7.711 ( 2.991 -1.862 -1.167) 3.712 8.171 ( 0.630 7.996 -0.718) 8.052 8.517 ( 0.241 -2.421 2.528) 3.509 8.680 ( -2.025 1.073 -1.089) 2.537 9.356 ( -2.396 -1.546 4.873) 5.646 22.688 ( 0.285 0.187 3.328) 3.345 22.791 ( 0.399 1.626 0.907) 1.904 22.917 ( -0.284 -2.163 1.202) 2.491 31.380 ( -0.944 0.341 -0.731) 1.242 31.421 ( 1.011 0.537 -1.910) 2.227 31.566 ( -0.135 -0.772 -1.385) 1.591 40.358 ( 0.227 2.429 -1.826) 3.048 40.373 ( 1.339 2.790 -1.997) 3.684 40.736 ( -0.376 -1.753 0.041) 1.793 41.427 ( 0.222 -0.839 0.665) 1.093 41.499 ( 0.151 0.642 -1.020) 1.215 41.707 ( -0.673 -2.193 -1.078) 2.535 47.227 ( 1.329 -8.135 2.653) 8.659 47.266 ( 0.640 -7.995 -2.161) 8.307 48.064 ( -4.526 17.094 -15.787) 23.705 87.574 ( -0.050 0.022 0.103) 0.117 87.591 ( 0.194 0.009 0.564) 0.596 87.602 ( 0.128 0.402 0.607) 0.739======================= Grid point 727 (237/288) =======================q-point: (-0.29 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.532 ( -5.981 0.253 1.759) 6.240 3.039 ( 2.570 4.905 5.777) 8.002 3.422 ( 5.327 10.962 7.900) 14.524 4.013 ( -0.489 -1.272 -2.797) 3.111 4.176 ( 2.315 1.086 -2.851) 3.830 4.430 ( -0.033 11.325 -3.918) 11.983 4.583 ( 3.844 4.464 5.139) 7.818 5.499 ( -4.974 -4.509 -4.169) 7.902 5.787 ( 0.531 2.850 1.100) 3.101 5.981 ( 2.495 -2.197 2.006) 3.883 6.210 ( -6.470 -6.506 -0.641) 9.198 6.472 ( -2.106 -1.235 -6.137) 6.605 6.812 ( -2.524 -4.547 6.860) 8.609 7.013 ( 4.333 -0.801 -1.893) 4.796 7.069 ( 2.448 1.029 0.633) 2.730 7.475 ( 1.260 3.792 -1.033) 4.127 7.730 ( 3.150 -0.998 0.896) 3.424 8.196 ( 1.909 5.410 -0.311) 5.746 8.552 ( -0.129 -1.902 2.026) 2.781 8.654 ( -1.924 0.235 -0.597) 2.028 9.393 ( -2.678 -1.381 2.124) 3.687 22.746 ( 0.395 0.525 2.681) 2.760 22.804 ( 0.424 1.043 -0.380) 1.189 22.922 ( -0.557 -1.788 0.582) 1.961 31.366 ( -0.774 0.300 -0.296) 0.881 31.402 ( 0.985 0.574 -1.184) 1.643 31.543 ( -0.235 -0.726 -0.750) 1.070 40.345 ( 0.751 2.328 -1.004) 2.644 40.367 ( 1.686 3.145 -1.081) 3.729 40.724 ( -0.774 -2.008 -0.051) 2.153 41.438 ( 0.265 -0.431 0.680) 0.848 41.483 ( 0.157 0.666 -1.054) 1.256 41.676 ( -1.053 -2.333 -0.612) 2.631 47.123 ( -2.562 -9.202 -3.112) 10.046 47.341 ( 4.037 -4.327 4.751) 7.588 47.878 ( -3.428 14.293 -9.194) 17.337 87.576 ( 0.002 0.072 0.074) 0.103 87.600 ( 0.132 0.058 0.301) 0.334 87.614 ( 0.232 0.440 0.359) 0.613======================= Grid point 728 (238/288) =======================q-point: (-0.21 0.50 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -1.000 -1.731 -0.000) 1.999 3.124 ( 1.908 3.305 -0.000) 3.816 3.570 ( 5.610 9.717 -0.000) 11.220 3.995 ( -0.935 -1.619 -0.000) 1.869 4.162 ( 1.379 2.389 -0.000) 2.759 4.445 ( 6.884 11.923 -0.000) 13.767 4.682 ( 2.141 3.709 -0.000) 4.283 5.412 ( -2.410 -4.174 -0.000) 4.820 5.811 ( 0.477 0.827 -0.000) 0.955 6.005 ( 0.508 0.880 -0.000) 1.016 6.139 ( -5.074 -8.789 -0.000) 10.148 6.403 ( 0.329 0.570 -0.000) 0.658 6.841 ( -2.763 -4.786 -0.000) 5.527 6.981 ( -0.367 -0.635 -0.000) 0.733 7.117 ( 1.605 2.780 -0.000) 3.211 7.473 ( -0.161 -0.279 -0.000) 0.322 7.756 ( 1.083 1.876 -0.000) 2.167 8.224 ( 1.584 2.743 -0.000) 3.167 8.561 ( -0.968 -1.677 -0.000) 1.936 8.636 ( -0.810 -1.402 -0.000) 1.619 9.396 ( -0.104 -0.180 -0.000) 0.208 22.786 ( 0.313 0.542 -0.000) 0.625 22.796 ( 0.498 0.862 -0.000) 0.995 22.916 ( -0.840 -1.455 -0.000) 1.680 31.361 ( -0.060 -0.104 -0.000) 0.121 31.399 ( 0.510 0.884 -0.000) 1.021 31.531 ( -0.384 -0.666 -0.000) 0.769 40.351 ( 1.186 2.055 -0.000) 2.373 40.383 ( 1.973 3.418 -0.000) 3.947 40.708 ( -1.277 -2.213 -0.000) 2.555 41.446 ( -0.120 -0.208 -0.000) 0.241 41.476 ( 0.438 0.759 -0.000) 0.876 41.654 ( -1.313 -2.274 -0.000) 2.626 47.040 ( -4.324 -7.490 -0.000) 8.649 47.398 ( -0.483 -0.836 -0.000) 0.965 47.831 ( 4.667 8.083 -0.000) 9.334 87.577 ( 0.042 0.072 -0.000) 0.083 87.604 ( 0.062 0.107 -0.000) 0.124 87.620 ( 0.254 0.440 -0.000) 0.508======================= Grid point 740 (239/288) =======================q-point: (-0.43 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( 0.000 -0.232 0.735) 0.771 2.802 ( -0.000 8.506 10.793) 13.742 3.143 ( -0.000 8.873 10.599) 13.823 4.168 ( 0.000 -1.968 -0.972) 2.196 4.181 ( -0.000 3.036 -11.111) 11.518 4.256 ( 0.000 0.063 17.554) 17.554 4.608 ( -0.000 15.112 -13.433) 20.219 5.681 ( 0.000 -0.281 5.729) 5.736 5.696 ( -0.000 0.970 -4.655) 4.755 5.944 ( 0.000 -7.949 1.448) 8.079 6.326 ( 0.000 -5.506 -0.962) 5.589 6.587 ( 0.000 -0.984 4.646) 4.749 6.793 ( 0.000 -3.003 -0.748) 3.095 6.837 ( 0.000 -1.622 4.328) 4.621 7.106 ( 0.000 -1.576 -4.960) 5.205 7.441 ( -0.000 10.214 -1.387) 10.308 7.690 ( 0.000 -1.822 -1.328) 2.255 8.167 ( -0.000 7.886 -0.990) 7.948 8.515 ( 0.000 -2.370 2.571) 3.497 8.694 ( -0.000 1.266 -1.311) 1.823 9.373 ( 0.000 -1.964 5.081) 5.447 22.686 ( 0.000 0.129 3.346) 3.348 22.788 ( -0.000 1.822 0.882) 2.024 22.919 ( 0.000 -2.325 1.303) 2.665 31.388 ( -0.000 0.466 -0.706) 0.846 31.412 ( -0.000 0.450 -1.967) 2.018 31.567 ( 0.000 -0.799 -1.374) 1.589 40.359 ( -0.000 2.469 -2.088) 3.234 40.361 ( -0.000 2.882 -1.815) 3.406 40.738 ( 0.000 -1.762 0.089) 1.765 41.425 ( 0.000 -0.856 0.657) 1.079 41.498 ( -0.000 0.629 -0.982) 1.166 41.711 ( 0.000 -2.280 -1.025) 2.500 47.215 ( 0.000 -6.459 5.511) 8.490 47.264 ( 0.000 -9.587 -4.935) 10.783 48.095 ( -0.000 17.295 -16.360) 23.807 87.575 ( -0.000 0.036 0.074) 0.083 87.590 ( 0.000 -0.022 0.603) 0.604 87.601 ( -0.000 0.427 0.593) 0.730======================= Grid point 742 (240/288) =======================q-point: (-0.36 0.57 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.603 ( -3.415 -1.694 -1.255) 4.013 3.002 ( 2.100 8.218 6.256) 10.540 3.370 ( 2.139 11.246 8.377) 14.185 4.027 ( -0.970 2.787 -5.813) 6.519 4.144 ( 1.694 -0.518 -1.037) 2.053 4.442 ( -1.005 13.096 -9.154) 16.010 4.540 ( 2.130 2.056 9.946) 10.378 5.568 ( -4.172 -4.282 -5.262) 7.964 5.747 ( 3.666 1.064 0.102) 3.818 5.972 ( -0.279 -2.795 3.359) 4.379 6.285 ( -3.631 -5.808 0.676) 6.883 6.478 ( 0.536 -2.857 -9.579) 10.011 6.868 ( -5.389 -2.521 6.884) 9.099 6.946 ( 5.664 -1.273 4.352) 7.255 7.043 ( 1.093 -0.511 -1.750) 2.125 7.466 ( 0.235 7.972 -0.398) 7.985 7.694 ( 1.665 -2.846 1.780) 3.747 8.175 ( 0.933 5.505 -1.283) 5.730 8.554 ( -0.057 -1.636 2.362) 2.874 8.673 ( -0.744 0.833 -1.260) 1.684 9.422 ( -1.220 -2.532 1.880) 3.382 22.742 ( 0.138 0.530 2.696) 2.751 22.800 ( 0.175 1.275 -0.359) 1.336 22.927 ( -0.224 -2.040 0.711) 2.172 31.377 ( -0.837 0.400 -0.678) 1.149 31.389 ( 0.906 0.540 -0.879) 1.373 31.545 ( -0.076 -0.772 -0.721) 1.059 40.340 ( 0.066 2.640 -1.158) 2.884 40.350 ( 0.775 3.097 -1.026) 3.353 40.731 ( -0.256 -1.982 0.051) 1.999 41.436 ( 0.082 -0.357 0.780) 0.861 41.481 ( 0.065 0.561 -1.069) 1.209 41.686 ( -0.369 -2.508 -0.558) 2.596 47.155 ( -1.657 -8.382 -2.251) 8.836 47.292 ( 2.473 -5.536 4.796) 7.731 47.913 ( -1.471 14.972 -11.163) 18.733 87.576 ( -0.013 0.100 0.050) 0.112 87.598 ( 0.095 -0.005 0.335) 0.348 87.612 ( 0.048 0.517 0.369) 0.637======================= Grid point 743 (241/288) =======================q-point: (-0.29 -0.43 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -1.250 -2.174 -3.192) 4.059 3.097 ( 1.778 4.671 -0.153) 5.000 3.506 ( 3.545 10.984 -0.637) 11.560 4.006 ( -0.462 2.250 1.965) 3.023 4.150 ( 0.162 1.084 0.834) 1.377 4.372 ( 3.946 12.198 -3.880) 13.394 4.660 ( 1.020 2.793 0.775) 3.073 5.460 ( -4.206 -5.512 -0.849) 6.985 5.762 ( 5.297 0.357 -1.767) 5.595 6.020 ( -1.861 0.996 2.950) 3.628 6.217 ( -6.064 -7.653 -2.713) 10.134 6.374 ( 3.629 -3.262 -0.678) 4.926 6.898 ( -5.306 -2.551 0.967) 5.966 6.989 ( -0.667 -0.377 1.924) 2.071 7.074 ( 4.541 1.454 0.657) 4.813 7.487 ( -1.499 4.621 0.487) 4.882 7.735 ( 1.728 -1.281 1.942) 2.898 8.184 ( 3.228 3.327 -1.048) 4.753 8.574 ( -0.859 -1.452 0.696) 1.825 8.647 ( -0.570 -0.011 -1.166) 1.298 9.409 ( -1.200 -2.153 -1.144) 2.717 22.784 ( 0.062 0.768 0.441) 0.888 22.790 ( 0.394 0.937 -0.371) 1.082 22.925 ( -0.486 -1.734 0.146) 1.807 31.362 ( 0.001 -0.152 -0.604) 0.623 31.394 ( 0.225 1.007 0.486) 1.141 31.535 ( -0.187 -0.723 0.059) 0.749 40.340 ( 0.463 2.528 -0.145) 2.574 40.361 ( 1.220 3.352 0.070) 3.568 40.721 ( -0.649 -2.143 0.113) 2.242 41.449 ( -0.284 -0.021 0.562) 0.630 41.469 ( 0.449 0.568 -0.390) 0.823 41.668 ( -0.725 -2.539 0.026) 2.640 47.101 ( -4.297 -7.090 1.700) 8.463 47.371 ( 3.544 -3.931 3.357) 6.267 47.798 ( 0.755 10.785 -6.469) 12.599 87.577 ( 0.000 0.115 -0.010) 0.116 87.602 ( 0.129 0.016 0.021) 0.132 87.618 ( 0.067 0.579 0.050) 0.585======================= Grid point 756 (242/288) =======================q-point: (-0.36 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( 0.000 -2.351 -4.771) 5.318 3.084 ( -0.000 5.193 0.169) 5.196 3.481 ( -0.000 11.484 -0.813) 11.513 4.008 ( -0.000 4.546 2.387) 5.135 4.152 ( 0.000 -0.484 1.989) 2.047 4.343 ( -0.000 12.458 -5.891) 13.781 4.654 ( -0.000 2.467 1.079) 2.693 5.498 ( 0.000 -6.379 -1.242) 6.499 5.715 ( -0.000 0.549 -1.827) 1.908 6.034 ( 0.000 0.777 3.572) 3.656 6.282 ( 0.000 -5.438 -8.825) 10.367 6.326 ( 0.000 -6.291 4.137) 7.530 6.955 ( 0.000 -0.418 2.617) 2.650 7.000 ( 0.000 -1.867 2.438) 3.071 7.018 ( -0.000 1.236 -0.381) 1.293 7.500 ( -0.000 7.644 0.720) 7.678 7.721 ( 0.000 -3.574 3.123) 4.747 8.159 ( -0.000 3.526 -1.914) 4.012 8.581 ( 0.000 -1.429 1.166) 1.845 8.651 ( -0.000 0.603 -1.789) 1.888 9.418 ( 0.000 -2.869 -1.477) 3.227 22.784 ( -0.000 0.885 1.705) 1.921 22.786 ( -0.000 0.927 -1.599) 1.849 22.929 ( 0.000 -1.832 0.190) 1.841 31.362 ( -0.000 -0.169 -0.850) 0.867 31.392 ( -0.000 1.051 0.691) 1.258 31.536 ( 0.000 -0.744 0.079) 0.748 40.337 ( -0.000 2.751 -0.252) 2.762 40.352 ( -0.000 3.271 0.145) 3.274 40.726 ( 0.000 -2.115 0.155) 2.121 41.452 ( 0.000 0.097 1.096) 1.100 41.466 ( -0.000 0.449 -0.865) 0.975 41.673 ( 0.000 -2.634 0.042) 2.634 47.137 ( 0.000 -6.711 2.775) 7.262 47.338 ( 0.000 -5.038 3.803) 6.312 47.795 ( -0.000 11.514 -8.490) 14.306 87.577 ( -0.000 0.135 -0.015) 0.136 87.601 ( 0.000 -0.014 0.034) 0.037 87.618 ( -0.000 0.623 0.064) 0.626======================= Grid point 757 (243/288) =======================q-point: (-0.29 -0.36 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( 1.323 -2.251 -7.797) 8.222 3.041 ( 0.502 0.166 -6.328) 6.350 3.454 ( 2.078 11.427 -6.961) 13.541 4.079 ( -3.283 1.996 2.494) 4.581 4.178 ( 1.069 -2.100 0.651) 2.444 4.375 ( 3.703 11.799 3.112) 12.752 4.615 ( 0.528 3.918 -5.480) 6.757 5.474 ( -1.937 -6.254 1.829) 6.797 5.702 ( 3.032 -0.400 -1.101) 3.250 6.053 ( -1.530 -1.205 -3.442) 3.955 6.170 ( -1.091 -2.579 1.473) 3.164 6.376 ( 1.829 -8.042 3.222) 8.854 6.907 ( -7.886 0.632 -3.621) 8.700 7.025 ( 6.724 1.892 -2.276) 7.346 7.096 ( -0.989 2.873 8.284) 8.823 7.540 ( -2.029 6.565 1.217) 6.978 7.766 ( -0.216 -2.392 2.940) 3.797 8.146 ( 3.297 1.718 -1.497) 4.008 8.576 ( -1.612 -1.505 -0.703) 2.315 8.619 ( 0.865 -0.107 -1.892) 2.083 9.356 ( 0.002 -2.328 -3.986) 4.616 22.752 ( 0.022 0.765 -2.607) 2.717 22.807 ( 0.140 0.832 0.283) 0.890 22.922 ( -0.300 -1.250 -0.061) 1.287 31.352 ( 0.175 -0.505 -0.177) 0.563 31.416 ( -0.015 1.231 1.437) 1.892 31.541 ( -0.117 -0.712 0.858) 1.121 40.352 ( 0.268 2.588 0.653) 2.683 40.380 ( 0.581 3.465 1.224) 3.720 40.720 ( -0.386 -2.073 0.311) 2.131 41.452 ( -0.527 0.321 -0.540) 0.820 41.477 ( 0.508 0.461 1.267) 1.440 41.667 ( -0.352 -2.622 0.663) 2.727 47.179 ( -4.874 -6.719 5.985) 10.234 47.384 ( 1.379 -3.580 1.837) 4.253 47.727 ( 4.160 7.344 -3.160) 9.013 87.577 ( -0.007 0.116 -0.095) 0.150 87.600 ( 0.073 -0.014 -0.259) 0.269 87.619 ( -0.010 0.684 -0.284) 0.741======================= Grid point 771 (244/288) =======================q-point: (-0.29 -0.29 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( -0.000 -3.156 -11.376) 11.805 2.868 ( 0.000 -5.207 -11.808) 12.905 3.349 ( -0.000 13.296 -9.077) 16.098 4.076 ( 0.000 -4.555 -9.577) 10.605 4.141 ( -0.000 0.722 2.152) 2.270 4.524 ( -0.000 -1.368 -4.820) 5.010 4.528 ( -0.000 10.617 9.156) 14.020 5.483 ( 0.000 -6.069 1.166) 6.180 5.677 ( -0.000 -0.191 -1.138) 1.154 5.961 ( 0.000 -3.454 -4.672) 5.810 6.234 ( -0.000 1.659 3.465) 3.842 6.365 ( 0.000 -9.987 0.157) 9.989 6.908 ( -0.000 3.623 -1.799) 4.045 6.927 ( -0.000 4.535 -5.015) 6.761 7.307 ( -0.000 5.017 12.698) 13.653 7.595 ( -0.000 7.288 1.069) 7.366 7.817 ( 0.000 -2.993 3.431) 4.553 8.120 ( -0.000 1.149 -0.147) 1.158 8.561 ( 0.000 -2.691 -1.013) 2.876 8.571 ( -0.000 0.199 -2.601) 2.608 9.262 ( 0.000 -1.789 -5.258) 5.554 22.703 ( -0.000 0.827 -3.161) 3.268 22.798 ( -0.000 0.028 -1.389) 1.389 22.920 ( -0.000 0.133 0.004) 0.133 31.350 ( 0.000 -0.821 0.329) 0.884 31.452 ( -0.000 1.351 2.046) 2.452 31.560 ( 0.000 -0.691 1.495) 1.647 40.379 ( -0.000 2.408 1.282) 2.728 40.421 ( -0.000 3.441 1.976) 3.968 40.721 ( 0.000 -1.706 0.455) 1.765 41.445 ( -0.000 0.308 -0.686) 0.752 41.502 ( -0.000 0.646 1.426) 1.566 41.676 ( 0.000 -2.556 1.313) 2.874 47.271 ( 0.000 -5.137 3.260) 6.085 47.400 ( 0.000 -3.637 1.596) 3.971 47.734 ( 0.000 1.605 6.023) 6.233 87.575 ( -0.000 0.076 -0.170) 0.186 87.593 ( -0.000 -0.021 -0.472) 0.472 87.614 ( -0.000 0.732 -0.608) 0.951======================= Grid point 886 (245/288) =======================q-point: ( 0.29 -0.71 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.394 ( -0.000 0.000 -14.823) 14.823 2.812 ( -0.000 0.000 -24.889) 24.889 2.974 ( -0.000 0.000 0.790) 0.790 2.974 ( 0.000 -0.000 0.790) 0.790 4.497 ( -0.000 0.000 -2.702) 2.702 4.497 ( 0.000 -0.000 -2.702) 2.702 5.017 ( -0.000 0.000 -13.834) 13.834 5.017 ( -0.000 0.000 -13.834) 13.834 5.692 ( -0.000 0.000 -5.913) 5.913 5.774 ( -0.000 0.000 -16.933) 16.933 6.265 ( 0.000 -0.000 8.459) 8.459 6.265 ( 0.000 -0.000 8.459) 8.459 6.878 ( 0.000 0.000 1.709) 1.709 6.878 ( 0.000 -0.000 1.709) 1.709 7.339 ( 0.000 -0.000 5.703) 5.703 8.005 ( 0.000 -0.000 9.939) 9.939 8.262 ( -0.000 -0.000 10.514) 10.514 8.262 ( 0.000 -0.000 10.514) 10.514 8.655 ( -0.000 0.000 2.473) 2.473 8.655 ( 0.000 -0.000 2.473) 2.473 9.372 ( -0.000 0.000 -16.136) 16.136 22.644 ( -0.000 0.000 -3.449) 3.449 22.644 ( 0.000 0.000 -3.449) 3.449 22.666 ( -0.000 0.000 -0.051) 0.051 31.505 ( -0.000 0.000 0.530) 0.530 31.505 ( 0.000 -0.000 0.530) 0.530 31.605 ( 0.000 -0.000 2.750) 2.750 40.544 ( -0.000 0.000 -0.525) 0.525 40.544 ( 0.000 0.000 -0.525) 0.525 40.735 ( 0.000 -0.000 2.300) 2.300 41.386 ( -0.000 0.000 0.005) 0.005 41.386 ( 0.000 -0.000 0.005) 0.005 41.748 ( 0.000 -0.000 1.452) 1.452 46.846 ( -0.000 0.000 2.333) 2.333 46.846 ( 0.000 -0.000 2.333) 2.333 50.139 ( 0.000 -0.000 15.550) 15.550 87.549 ( -0.000 0.000 -0.479) 0.479 87.549 ( -0.000 0.000 -0.479) 0.479 87.581 ( -0.000 0.000 -0.488) 0.488======================= Grid point 889 (246/288) =======================q-point: (-0.64 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.183 ( 1.562 0.902 -9.551) 9.719 2.448 ( -2.903 -1.676 -13.734) 14.137 2.869 ( -13.947 -8.053 -2.098) 16.241 3.057 ( 6.334 3.657 1.369) 7.441 4.399 ( -2.486 -1.435 -2.162) 3.594 4.451 ( 2.998 1.731 -7.348) 8.123 4.822 ( 1.164 0.672 -5.500) 5.662 4.844 ( 2.981 1.721 -9.288) 9.905 5.522 ( -0.531 -0.307 -10.424) 10.442 5.575 ( 0.792 0.457 -7.654) 7.708 6.355 ( -3.787 -2.186 6.199) 7.586 6.441 ( 4.600 2.656 6.236) 8.192 6.841 ( -11.143 -6.434 3.897) 13.444 6.986 ( 5.495 3.172 3.115) 7.068 7.428 ( 2.112 1.219 3.390) 4.176 8.175 ( 1.253 0.723 7.916) 8.048 8.302 ( -7.128 -4.116 1.229) 8.322 8.418 ( 4.859 2.805 1.340) 5.768 8.700 ( -2.180 -1.259 3.959) 4.691 8.736 ( 1.068 0.616 4.008) 4.193 9.052 ( 2.171 1.253 -19.361) 19.523 22.570 ( -1.944 -1.122 -2.628) 3.456 22.607 ( 1.638 0.946 -2.467) 3.109 22.682 ( 0.275 0.159 1.554) 1.586 31.497 ( -1.707 -0.986 0.151) 1.977 31.526 ( 1.644 0.949 0.135) 1.903 31.647 ( 0.036 0.021 1.897) 1.897 40.525 ( -0.564 -0.326 -1.171) 1.340 40.537 ( 0.749 0.433 -0.849) 1.212 40.764 ( -0.432 -0.249 1.221) 1.319 41.372 ( -2.228 -1.286 0.631) 2.649 41.415 ( 2.473 1.428 0.812) 2.969 41.768 ( -0.042 -0.024 0.888) 0.889 46.867 ( -3.100 -1.790 3.561) 5.049 46.951 ( 5.169 2.984 4.695) 7.594 50.305 ( -1.990 -1.149 3.605) 4.275 87.542 ( -0.097 -0.056 -0.271) 0.293 87.544 ( 0.160 0.093 -0.206) 0.277 87.575 ( -0.039 -0.023 -0.226) 0.230======================= Grid point 890 (247/288) =======================q-point: (-0.57 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( 2.689 1.552 -3.325) 4.549 2.289 ( -8.595 -4.962 1.561) 10.046 2.670 ( -17.084 -9.863 -3.451) 20.026 3.109 ( 4.139 2.390 -1.168) 4.920 4.390 ( -0.479 -0.277 1.984) 2.060 4.393 ( 1.897 1.095 1.204) 2.500 4.752 ( 3.643 2.104 -3.767) 5.647 4.800 ( 4.869 2.811 -1.805) 5.905 5.413 ( -0.858 -0.495 -1.013) 1.417 5.434 ( 1.799 1.039 -9.619) 9.840 6.415 ( -1.732 -1.000 3.394) 3.940 6.558 ( 2.700 1.559 3.090) 4.390 6.811 ( -13.299 -7.678 4.934) 16.130 7.071 ( 1.086 0.627 2.788) 3.057 7.504 ( 5.861 3.384 1.298) 6.891 8.216 ( -5.837 -3.370 -3.406) 7.552 8.242 ( -1.576 -0.910 -3.903) 4.306 8.419 ( 3.801 2.195 -4.975) 6.635 8.690 ( -1.428 -0.824 -5.430) 5.675 8.721 ( -2.747 -1.586 0.548) 3.219 8.899 ( 9.858 5.691 -4.119) 12.105 22.522 ( -1.389 -0.802 -1.051) 1.917 22.591 ( 1.497 0.864 -0.866) 1.934 22.723 ( -0.243 -0.140 2.936) 2.950 31.480 ( -1.742 -1.006 -0.289) 2.033 31.539 ( 1.708 0.986 -0.437) 2.020 31.672 ( -0.034 -0.020 0.821) 0.822 40.496 ( -0.321 -0.185 -1.502) 1.547 40.527 ( 1.158 0.668 -1.272) 1.845 40.771 ( -0.879 -0.508 0.289) 1.056 41.368 ( -2.291 -1.323 1.233) 2.918 41.455 ( 2.378 1.373 1.077) 2.949 41.779 ( -0.202 -0.117 0.467) 0.523 46.918 ( -2.017 -1.164 4.794) 5.330 47.093 ( 5.214 3.010 5.700) 8.291 50.218 ( -2.390 -1.380 -11.364) 11.694 87.539 ( -0.114 -0.066 0.050) 0.140 87.545 ( 0.202 0.117 0.091) 0.250 87.572 ( -0.071 -0.041 -0.036) 0.090======================= Grid point 891 (248/288) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -2.066 -1.193 1.511) 2.824 2.322 ( -14.879 -8.590 12.845) 21.452 2.494 ( -9.948 -5.744 -0.645) 11.505 3.117 ( 2.593 1.497 0.389) 3.020 4.407 ( -2.253 -1.301 0.059) 2.603 4.552 ( 4.457 2.573 11.844) 12.914 4.817 ( 5.513 3.183 7.032) 9.486 4.820 ( 3.438 1.985 0.230) 3.976 5.267 ( 2.945 1.700 -11.501) 11.993 5.468 ( -1.320 -0.762 7.840) 7.987 6.441 ( 0.062 0.036 0.236) 0.246 6.593 ( -0.229 -0.132 -0.483) 0.551 6.768 ( -13.569 -7.834 3.779) 16.117 7.096 ( -2.351 -1.357 0.551) 2.770 7.582 ( 9.137 5.275 -0.322) 10.556 8.006 ( 0.046 0.026 -17.086) 17.086 8.098 ( -3.202 -1.848 -4.881) 6.123 8.319 ( 3.204 1.850 -9.221) 9.935 8.673 ( -2.880 -1.663 -2.720) 4.296 8.721 ( 0.269 0.155 5.520) 5.528 8.908 ( 8.304 4.794 -4.153) 10.450 22.509 ( -0.710 -0.410 0.690) 1.071 22.606 ( 1.528 0.882 1.005) 2.030 22.777 ( -0.768 -0.443 3.619) 3.726 31.456 ( -1.668 -0.963 -0.698) 2.049 31.540 ( 1.697 0.980 -1.107) 2.251 31.676 ( -0.155 -0.090 -0.274) 0.328 40.467 ( 0.179 0.103 -1.715) 1.728 40.512 ( 1.554 0.897 -1.831) 2.563 40.762 ( -1.192 -0.688 -0.130) 1.382 41.375 ( -2.071 -1.196 1.672) 2.918 41.492 ( 1.991 1.149 0.785) 2.429 41.782 ( -0.446 -0.258 0.137) 0.533 46.997 ( -0.844 -0.487 5.490) 5.576 47.235 ( 4.140 2.390 5.275) 7.119 49.864 ( -2.941 -1.698 -25.529) 25.754 87.542 ( -0.063 -0.036 0.438) 0.444 87.551 ( 0.192 0.111 0.348) 0.413 87.572 ( -0.091 -0.053 0.057) 0.120======================= Grid point 892 (249/288) =======================q-point: (-0.43 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.059 ( -13.125 -7.578 3.438) 15.540 2.432 ( -15.555 -8.981 14.323) 22.973 2.528 ( 5.986 3.456 6.032) 9.174 3.226 ( 0.703 0.406 10.946) 10.976 4.355 ( -2.273 -1.312 -2.966) 3.960 4.706 ( 0.781 0.451 -0.691) 1.136 4.993 ( 4.174 2.410 17.107) 17.773 5.009 ( 2.237 1.292 -1.187) 2.843 5.139 ( 6.167 3.561 2.794) 7.650 5.636 ( -2.778 -1.604 12.087) 12.505 6.419 ( -0.965 -0.557 -2.279) 2.537 6.546 ( -2.823 -1.630 -2.784) 4.286 6.705 ( -8.380 -4.838 0.870) 9.715 7.053 ( -3.103 -1.791 -2.317) 4.267 7.640 ( 9.844 5.684 -3.437) 11.875 7.746 ( 4.449 2.569 -13.543) 14.485 7.997 ( -0.714 -0.412 -4.324) 4.402 8.173 ( 4.349 2.511 -10.201) 11.370 8.592 ( -2.619 -1.512 -3.138) 4.358 8.746 ( -1.520 -0.877 -2.544) 3.091 8.970 ( 4.385 2.532 4.833) 7.000 22.531 ( -0.102 -0.059 2.099) 2.103 22.651 ( 1.644 0.949 2.298) 2.981 22.833 ( -0.897 -0.518 3.451) 3.603 31.426 ( -1.504 -0.868 -0.976) 1.992 31.530 ( 1.603 0.926 -1.746) 2.545 31.660 ( -0.290 -0.167 -1.174) 1.221 40.439 ( 0.724 0.418 -1.934) 2.107 40.490 ( 1.853 1.070 -2.443) 3.248 40.750 ( -1.152 -0.665 0.026) 1.331 41.390 ( -1.483 -0.856 1.788) 2.475 41.516 ( 1.525 0.880 0.173) 1.769 41.775 ( -0.744 -0.429 -0.317) 0.915 47.092 ( 0.039 0.023 5.454) 5.454 47.347 ( 2.446 1.412 3.916) 4.828 49.289 ( -5.180 -2.990 -33.950) 34.472 87.553 ( 0.073 0.042 0.747) 0.752 87.560 ( 0.147 0.085 0.528) 0.555 87.573 ( -0.057 -0.033 0.122) 0.138======================= Grid point 893 (250/288) =======================q-point: (-0.36 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -12.799 -7.390 7.050) 16.375 2.550 ( -11.109 -6.414 12.893) 18.187 2.760 ( 11.773 6.797 9.849) 16.787 3.502 ( -1.763 -1.018 19.535) 19.641 4.275 ( -1.737 -1.003 -3.782) 4.281 4.640 ( -4.112 -2.374 -3.599) 5.957 4.843 ( 4.217 2.435 -13.561) 14.409 5.338 ( 3.003 1.734 14.954) 15.351 5.404 ( 3.306 1.909 13.870) 14.386 5.800 ( -4.784 -2.762 9.377) 10.884 6.355 ( -3.474 -2.005 -2.052) 4.505 6.466 ( -4.379 -2.528 -1.844) 5.382 6.682 ( 0.937 0.541 1.361) 1.739 6.970 ( -1.990 -1.149 -4.059) 4.664 7.608 ( 6.341 3.661 -7.989) 10.836 7.615 ( 8.431 4.867 -8.909) 13.196 7.934 ( 0.141 0.081 -2.785) 2.790 8.073 ( 6.988 4.034 -6.012) 10.062 8.534 ( -1.702 -0.983 -0.854) 2.143 8.664 ( -3.168 -1.829 -3.322) 4.941 9.098 ( -0.255 -0.147 6.565) 6.571 22.578 ( 0.339 0.196 2.971) 2.997 22.709 ( 1.373 0.793 2.606) 3.051 22.880 ( -0.532 -0.307 2.497) 2.571 31.396 ( -1.272 -0.734 -1.036) 1.797 31.508 ( 1.448 0.836 -2.190) 2.756 31.631 ( -0.409 -0.236 -1.709) 1.773 40.412 ( 1.223 0.706 -2.045) 2.485 40.461 ( 2.145 1.238 -2.716) 3.676 40.743 ( -0.909 -0.525 0.185) 1.066 41.409 ( -0.734 -0.424 1.530) 1.749 41.525 ( 1.104 0.638 -0.520) 1.377 41.755 ( -1.184 -0.684 -0.976) 1.680 47.187 ( 0.437 0.252 5.008) 5.034 47.415 ( 0.525 0.303 2.156) 2.240 48.623 ( -7.437 -4.294 -33.145) 34.239 87.566 ( 0.030 0.017 0.506) 0.508 87.571 ( 0.090 0.052 0.615) 0.623 87.578 ( 0.254 0.147 0.543) 0.617======================= Grid point 894 (251/288) =======================q-point: (-0.29 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.090 ( -7.881 -4.550 10.450) 13.858 2.697 ( -7.042 -4.066 12.892) 15.242 3.059 ( 12.858 7.423 10.745) 18.327 3.838 ( -2.508 -1.448 19.163) 19.380 4.196 ( -1.036 -0.598 -3.572) 3.767 4.538 ( -5.212 -3.009 -2.001) 6.343 4.654 ( 6.470 3.735 -12.629) 14.674 5.509 ( -2.684 -1.550 4.015) 5.072 5.613 ( 0.929 0.536 6.864) 6.947 5.892 ( -2.843 -1.641 5.816) 6.679 6.292 ( -2.795 -1.614 -2.048) 3.822 6.416 ( -6.314 -3.646 1.298) 7.406 6.780 ( 4.982 2.876 5.767) 8.146 6.896 ( 0.701 0.405 -2.717) 2.835 7.487 ( 6.351 3.667 -12.528) 14.517 7.568 ( 6.977 4.028 -3.446) 8.762 7.886 ( -0.911 -0.526 -2.644) 2.846 8.083 ( 7.219 4.168 -1.111) 8.410 8.532 ( -0.475 -0.274 1.601) 1.692 8.590 ( -4.063 -2.346 -1.080) 4.815 9.190 ( -2.761 -1.594 5.614) 6.456 22.639 ( 0.601 0.347 3.304) 3.376 22.762 ( 0.659 0.381 2.230) 2.356 22.910 ( -0.040 -0.023 1.153) 1.154 31.368 ( -0.999 -0.577 -0.824) 1.418 31.480 ( 1.286 0.742 -2.303) 2.741 31.595 ( -0.507 -0.292 -1.803) 1.895 40.390 ( 1.673 0.966 -1.852) 2.677 40.435 ( 2.580 1.490 -2.496) 3.886 40.737 ( -0.961 -0.555 -0.056) 1.112 41.429 ( -0.114 -0.066 1.063) 1.071 41.519 ( 0.780 0.450 -1.098) 1.420 41.720 ( -1.766 -1.020 -1.462) 2.509 47.271 ( -0.186 -0.107 3.806) 3.812 47.433 ( -1.396 -0.806 0.278) 1.636 48.040 ( -6.227 -3.595 -23.988) 25.042 87.571 ( -0.018 -0.010 0.195) 0.196 87.583 ( 0.035 0.020 0.597) 0.599 87.595 ( 0.557 0.322 0.818) 1.040======================= Grid point 903 (252/288) =======================q-point: ( 0.36 -0.64 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( -0.000 2.269 -3.413) 4.099 2.347 ( 0.000 -5.965 2.639) 6.523 2.827 ( 0.000 -16.346 -2.868) 16.596 3.048 ( -0.000 10.290 -2.836) 10.673 4.378 ( 0.000 -1.565 1.131) 1.930 4.395 ( -0.000 0.748 2.114) 2.243 4.734 ( -0.000 3.106 -3.700) 4.831 4.754 ( -0.000 4.647 -2.525) 5.288 5.418 ( 0.000 -0.696 -1.030) 1.243 5.422 ( -0.000 1.571 -9.733) 9.859 6.433 ( 0.000 -6.552 3.502) 7.430 6.533 ( -0.000 6.676 3.318) 7.454 6.925 ( 0.000 -10.475 4.505) 11.402 7.047 ( -0.000 4.229 4.075) 5.873 7.461 ( -0.000 1.855 0.572) 1.941 8.242 ( 0.000 -5.329 -3.703) 6.489 8.280 ( 0.000 -3.012 -2.877) 4.165 8.382 ( -0.000 6.889 -5.327) 8.708 8.700 ( -0.000 -2.236 -8.034) 8.339 8.767 ( -0.000 1.064 -3.585) 3.739 8.802 ( -0.000 3.592 1.385) 3.850 22.535 ( 0.000 -2.531 -1.090) 2.756 22.577 ( -0.000 2.859 -1.075) 3.055 22.724 ( 0.000 -0.380 3.161) 3.184 31.497 ( 0.000 -1.557 -0.342) 1.595 31.522 ( -0.000 1.535 -0.409) 1.589 31.672 ( 0.000 -0.006 0.851) 0.851 40.500 ( 0.000 -0.776 -1.510) 1.698 40.517 ( -0.000 1.334 -1.449) 1.969 40.777 ( 0.000 -0.624 0.325) 0.704 41.390 ( 0.000 -2.723 1.242) 2.993 41.433 ( -0.000 2.784 1.166) 3.019 41.781 ( 0.000 -0.136 0.520) 0.538 46.935 ( 0.000 -7.145 5.087) 8.771 47.054 ( -0.000 9.285 5.650) 10.869 50.235 ( -0.000 -1.681 -11.673) 11.793 87.540 ( 0.000 -0.198 0.066) 0.209 87.543 ( -0.000 0.251 0.083) 0.264 87.573 ( 0.000 -0.045 -0.037) 0.058======================= Grid point 905 (253/288) =======================q-point: (-0.57 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 1.297 3.201 2.586) 4.315 2.437 ( -3.502 -18.296 10.729) 21.497 2.704 ( -14.892 -2.902 1.867) 15.287 3.035 ( 7.991 6.022 -3.948) 10.757 4.437 ( -1.917 -2.197 1.353) 3.215 4.499 ( 2.808 -0.022 10.542) 10.910 4.760 ( 2.364 4.354 2.067) 5.369 4.778 ( 2.163 7.210 5.831) 9.522 5.243 ( 0.797 3.132 -11.785) 12.220 5.479 ( -0.375 -1.145 8.031) 8.121 6.444 ( -0.418 -5.319 0.653) 5.376 6.586 ( 0.647 4.740 -0.466) 4.807 6.930 ( -7.903 -10.408 3.799) 13.609 7.119 ( -0.914 -0.032 2.329) 2.502 7.476 ( 5.291 3.153 -1.599) 6.364 7.999 ( 0.504 -1.287 -19.606) 19.655 8.146 ( -2.810 -1.714 -6.800) 7.554 8.280 ( 2.148 5.104 -9.678) 11.150 8.698 ( -0.166 -2.591 1.364) 2.933 8.728 ( -1.834 1.765 3.108) 4.017 8.819 ( 4.415 3.488 -2.610) 6.202 22.520 ( -0.605 -1.880 0.662) 2.083 22.588 ( 0.865 2.630 0.706) 2.858 22.784 ( -0.238 -0.828 3.752) 3.850 31.476 ( -1.149 -1.150 -0.809) 1.816 31.520 ( 1.156 1.198 -1.030) 1.958 31.677 ( -0.052 -0.102 -0.230) 0.257 40.468 ( -0.204 -0.196 -1.801) 1.823 40.495 ( 0.820 1.360 -1.994) 2.549 40.774 ( -0.444 -0.860 -0.167) 0.982 41.399 ( -1.253 -2.223 1.468) 2.944 41.468 ( 1.241 2.083 1.002) 2.624 41.786 ( -0.165 -0.311 0.228) 0.420 47.003 ( -0.072 -6.772 5.755) 8.888 47.197 ( 1.365 8.755 5.512) 10.436 49.892 ( -1.110 -1.474 -25.246) 25.314 87.543 ( -0.050 -0.158 0.405) 0.437 87.549 ( 0.095 0.228 0.368) 0.443 87.573 ( -0.033 -0.065 0.049) 0.088======================= Grid point 906 (254/288) =======================q-point: (-0.50 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( -3.176 -0.063 5.742) 6.562 2.464 ( 0.712 -16.355 4.854) 17.074 2.699 ( -19.969 4.365 7.496) 21.772 3.159 ( 9.279 2.313 10.743) 14.382 4.390 ( -2.721 -2.442 -2.848) 4.634 4.651 ( 5.613 4.167 -0.822) 7.039 4.927 ( 3.708 -2.696 14.165) 14.888 5.016 ( -1.293 7.653 3.645) 8.575 5.075 ( 3.459 6.576 2.232) 7.758 5.665 ( -1.346 -2.014 13.303) 13.522 6.415 ( 0.122 -3.458 -1.676) 3.845 6.561 ( 0.111 1.131 -3.577) 3.754 6.866 ( -12.220 -8.761 0.766) 15.056 7.100 ( -3.469 -4.172 -1.609) 5.660 7.500 ( 10.198 3.497 -3.634) 11.377 7.684 ( 3.939 4.131 -16.366) 17.333 8.017 ( -2.056 2.249 -5.816) 6.566 8.122 ( 3.308 4.047 -11.330) 12.477 8.625 ( -2.064 -3.213 -3.271) 5.029 8.758 ( -0.247 1.499 -3.093) 3.446 8.922 ( 2.564 1.887 9.289) 9.820 22.536 ( -0.431 -1.159 2.115) 2.450 22.630 ( 1.231 2.289 2.064) 3.319 22.842 ( -0.457 -1.132 3.442) 3.652 31.446 ( -1.356 -0.837 -1.134) 1.956 31.509 ( 1.398 0.979 -1.628) 2.359 31.663 ( -0.145 -0.222 -1.129) 1.160 40.434 ( 0.068 0.465 -2.068) 2.121 40.467 ( 1.333 1.322 -2.535) 3.155 40.763 ( -0.687 -0.919 -0.142) 1.156 41.408 ( -1.221 -1.659 1.424) 2.504 41.497 ( 1.277 1.424 0.426) 1.959 41.783 ( -0.420 -0.545 -0.166) 0.708 47.084 ( 0.863 -5.721 5.794) 8.188 47.324 ( 1.018 6.396 4.259) 7.752 49.346 ( -2.980 -0.882 -33.204) 33.349 87.552 ( 0.031 -0.087 0.688) 0.694 87.559 ( 0.086 0.196 0.566) 0.605 87.573 ( -0.036 -0.066 0.072) 0.104======================= Grid point 907 (255/288) =======================q-point: (-0.43 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.199 ( -11.887 -4.786 5.833) 14.079 2.593 ( 8.143 -3.126 9.271) 12.729 2.725 ( -9.997 4.095 6.651) 12.686 3.497 ( 2.357 -0.219 20.420) 20.557 4.302 ( -2.338 -1.746 -3.894) 4.866 4.624 ( 5.262 0.157 -6.267) 8.184 4.813 ( 0.686 7.949 -13.800) 15.941 5.291 ( 3.037 -1.905 17.679) 18.039 5.384 ( 0.467 6.271 15.671) 16.886 5.868 ( -4.615 -3.453 11.493) 12.857 6.368 ( -0.092 -3.347 -1.734) 3.771 6.497 ( 0.320 -1.187 -2.689) 2.957 6.751 ( -10.016 -4.388 -0.524) 10.948 7.008 ( -3.119 -4.218 -3.797) 6.476 7.482 ( 10.668 2.537 -7.996) 13.571 7.519 ( 6.459 6.510 -9.399) 13.132 7.919 ( 1.838 -0.035 -5.848) 6.130 8.009 ( 2.580 8.705 -5.375) 10.551 8.556 ( -1.483 -3.100 -1.406) 3.713 8.698 ( -1.834 0.777 -2.896) 3.514 9.103 ( -0.438 -0.205 9.325) 9.337 22.577 ( -0.091 -0.563 3.020) 3.073 22.690 ( 1.388 1.900 2.540) 3.462 22.888 ( -0.536 -1.208 2.548) 2.871 31.413 ( -1.281 -0.600 -1.227) 1.873 31.489 ( 1.375 0.841 -2.057) 2.614 31.635 ( -0.246 -0.328 -1.672) 1.721 40.400 ( 0.525 0.952 -2.217) 2.470 40.435 ( 1.689 1.420 -2.842) 3.598 40.754 ( -0.684 -0.856 0.084) 1.099 41.420 ( -0.726 -1.141 1.171) 1.789 41.510 ( 1.009 0.986 -0.283) 1.439 41.769 ( -0.788 -0.850 -0.715) 1.362 47.172 ( 1.581 -4.511 5.440) 7.241 47.407 ( 0.450 2.723 2.424) 3.673 48.714 ( -5.607 0.453 -33.394) 33.865 87.565 ( 0.076 -0.059 0.680) 0.687 87.571 ( 0.047 0.163 0.625) 0.648 87.575 ( 0.114 0.036 0.267) 0.293======================= Grid point 908 (256/288) =======================q-point: (-0.36 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.223 ( -11.510 -1.969 7.867) 14.080 2.765 ( -1.485 -3.382 8.863) 9.602 2.907 ( 8.103 8.655 10.816) 16.049 3.864 ( -1.290 -1.278 19.896) 19.978 4.212 ( -1.488 -1.511 -4.016) 4.541 4.520 ( 6.615 -2.687 -8.812) 11.342 4.622 ( -0.465 10.539 -11.217) 15.398 5.530 ( -0.549 -2.887 8.192) 8.703 5.614 ( -0.961 3.328 7.765) 8.503 5.952 ( -5.737 -3.803 4.634) 8.298 6.330 ( -2.711 -4.541 -0.541) 5.317 6.481 ( -2.557 -0.536 1.690) 3.111 6.737 ( -0.148 -3.233 4.736) 5.736 6.913 ( -2.103 0.264 -2.967) 3.647 7.390 ( 7.945 2.178 -10.824) 13.602 7.463 ( 8.019 6.464 -4.767) 11.349 7.857 ( 4.984 -4.234 -2.888) 7.149 8.015 ( 2.119 12.072 -1.004) 12.298 8.536 ( -0.237 -2.744 1.032) 2.941 8.643 ( -3.452 0.334 -1.448) 3.758 9.234 ( -3.348 -2.003 7.348) 8.320 22.633 ( 0.232 -0.104 3.354) 3.364 22.748 ( 1.261 1.400 2.172) 2.876 22.915 ( -0.581 -1.106 1.483) 1.940 31.383 ( -1.086 -0.394 -1.034) 1.550 31.463 ( 1.266 0.729 -2.187) 2.630 31.601 ( -0.342 -0.397 -1.772) 1.848 40.371 ( 1.054 1.269 -2.060) 2.639 40.404 ( 2.066 1.671 -2.676) 3.772 40.748 ( -0.722 -0.861 0.085) 1.126 41.431 ( -0.159 -0.696 0.826) 1.092 41.509 ( 0.694 0.728 -0.897) 1.347 41.741 ( -1.300 -1.207 -1.167) 2.123 47.261 ( 1.625 -3.072 4.842) 5.960 47.433 ( 0.498 -2.855 0.130) 2.901 48.139 ( -7.355 3.981 -26.244) 27.544 87.572 ( -0.055 -0.049 0.172) 0.187 87.582 ( 0.076 0.052 0.616) 0.623 87.588 ( 0.413 0.267 0.749) 0.896======================= Grid point 909 (257/288) =======================q-point: (-0.29 0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( -7.269 -0.090 9.068) 11.622 2.906 ( -0.772 -0.914 8.757) 8.838 3.200 ( 10.264 8.455 10.402) 16.883 4.107 ( -0.688 -4.624 3.555) 5.873 4.153 ( -2.398 1.381 3.310) 4.314 4.411 ( 7.552 4.445 -8.596) 12.275 4.525 ( 1.607 5.068 -1.886) 5.641 5.554 ( -4.965 -4.531 -0.296) 6.728 5.688 ( -1.547 2.145 1.482) 3.032 5.988 ( -1.254 -2.001 4.077) 4.712 6.255 ( -4.241 -3.335 -3.096) 6.220 6.473 ( -6.970 -2.387 0.112) 7.368 6.823 ( 4.958 -7.408 4.380) 9.932 6.934 ( -0.701 7.437 4.375) 8.657 7.242 ( 5.137 1.367 -11.082) 12.291 7.494 ( 8.049 5.024 -1.225) 9.567 7.824 ( 1.959 -4.103 -2.276) 5.084 8.081 ( 3.358 9.260 1.149) 9.916 8.558 ( 0.680 -2.801 2.090) 3.560 8.609 ( -3.460 0.911 0.169) 3.582 9.308 ( -4.591 -2.646 5.315) 7.505 22.695 ( 0.485 0.218 3.187) 3.231 22.790 ( 0.938 0.884 1.164) 1.737 22.925 ( -0.697 -0.955 0.616) 1.333 31.360 ( -0.827 -0.221 -0.548) 1.016 31.437 ( 1.155 0.643 -1.963) 2.366 31.567 ( -0.437 -0.432 -1.459) 1.583 40.353 ( 1.594 1.467 -1.509) 2.640 40.384 ( 2.471 1.974 -2.085) 3.788 40.738 ( -1.042 -1.052 -0.139) 1.487 41.441 ( 0.259 -0.381 0.569) 0.732 41.495 ( 0.413 0.607 -1.257) 1.456 41.703 ( -1.805 -1.500 -1.147) 2.612 47.309 ( -1.629 -3.712 -0.767) 4.126 47.404 ( 2.257 -7.858 -0.255) 8.180 47.767 ( -5.463 9.914 -12.288) 16.707 87.574 ( 0.026 0.010 0.125) 0.128 87.593 ( 0.009 0.054 0.488) 0.491 87.605 ( 0.561 0.321 0.606) 0.886======================= Grid point 919 (258/288) =======================q-point: ( 0.43 -0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.181 ( -0.000 4.534 7.378) 8.660 2.465 ( 0.000 -21.641 3.310) 21.892 2.919 ( -0.000 6.214 -5.514) 8.308 3.016 ( 0.000 2.067 21.551) 21.650 4.414 ( 0.000 -3.949 -2.662) 4.763 4.603 ( -0.000 5.884 -1.196) 6.004 4.901 ( 0.000 -1.963 14.567) 14.699 5.036 ( -0.000 8.683 17.120) 19.195 5.042 ( -0.000 7.039 -10.846) 12.930 5.673 ( 0.000 -2.248 13.769) 13.951 6.417 ( 0.000 -5.335 -1.080) 5.443 6.558 ( -0.000 2.780 -4.187) 5.026 6.963 ( 0.000 -11.806 1.787) 11.940 7.131 ( 0.000 -3.445 -1.987) 3.977 7.413 ( -0.000 2.573 -4.121) 4.858 7.655 ( -0.000 5.200 -17.498) 18.255 8.039 ( -0.000 3.201 -5.820) 6.643 8.092 ( -0.000 4.649 -12.387) 13.231 8.640 ( 0.000 -4.347 -3.422) 5.532 8.758 ( -0.000 2.967 -3.388) 4.503 8.904 ( 0.000 1.423 11.209) 11.299 22.539 ( 0.000 -1.922 2.131) 2.869 22.621 ( -0.000 3.148 1.952) 3.704 22.845 ( 0.000 -1.345 3.460) 3.713 31.457 ( 0.000 -1.022 -1.218) 1.590 31.497 ( -0.000 1.192 -1.558) 1.961 31.664 ( -0.000 -0.241 -1.114) 1.140 40.434 ( -0.000 0.353 -2.102) 2.131 40.457 ( -0.000 1.544 -2.577) 3.004 40.767 ( 0.000 -1.008 -0.205) 1.029 41.418 ( 0.000 -2.283 1.246) 2.601 41.487 ( -0.000 1.964 0.569) 2.044 41.786 ( 0.000 -0.594 -0.115) 0.605 47.077 ( 0.000 -7.901 5.955) 9.894 47.317 ( -0.000 8.415 4.291) 9.446 49.366 ( -0.000 -0.297 -32.918) 32.920 87.552 ( 0.000 -0.147 0.658) 0.675 87.558 ( -0.000 0.250 0.586) 0.637 87.574 ( 0.000 -0.076 0.057) 0.095======================= Grid point 921 (259/288) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( -6.723 0.990 8.290) 10.719 2.492 ( 5.651 -8.224 6.670) 12.002 2.848 ( -5.991 4.972 -0.716) 7.818 3.455 ( 2.669 0.320 24.044) 24.193 4.334 ( -1.866 -2.960 -3.752) 5.130 4.549 ( 4.053 2.589 -7.630) 9.019 4.808 ( 0.156 9.896 -13.626) 16.841 5.264 ( 0.903 -1.224 18.856) 18.917 5.380 ( 0.113 6.918 16.528) 17.918 5.912 ( -1.676 -3.931 13.685) 14.337 6.378 ( -1.027 -3.646 -0.670) 3.846 6.479 ( 1.483 -2.088 -4.020) 4.767 6.894 ( -8.638 -8.179 -1.582) 12.001 7.034 ( -0.015 -5.270 -5.091) 7.328 7.355 ( 6.402 1.762 -6.388) 9.213 7.450 ( 3.072 9.032 -10.589) 14.252 7.898 ( 0.833 1.874 -9.901) 10.112 7.990 ( 0.597 9.488 -3.047) 9.983 8.571 ( -0.594 -4.500 -1.853) 4.903 8.714 ( -0.574 2.400 -2.510) 3.520 9.108 ( -0.184 -0.441 10.981) 10.992 22.579 ( -0.135 -1.353 3.048) 3.337 22.676 ( 0.598 2.845 2.452) 3.803 22.893 ( -0.202 -1.618 2.615) 3.082 31.428 ( -0.760 -0.623 -1.373) 1.689 31.473 ( 0.789 0.938 -1.942) 2.297 31.638 ( -0.082 -0.376 -1.653) 1.697 40.397 ( -0.031 1.076 -2.324) 2.561 40.417 ( 0.801 1.537 -2.875) 3.357 40.760 ( -0.252 -1.023 -0.002) 1.053 41.427 ( -0.350 -1.772 0.898) 2.017 41.500 ( 0.455 1.441 -0.072) 1.513 41.776 ( -0.276 -0.969 -0.582) 1.163 47.154 ( 0.852 -7.207 5.737) 9.251 47.404 ( 0.055 4.603 2.329) 5.159 48.766 ( -2.033 2.416 -33.265) 33.415 87.565 ( 0.037 -0.090 0.770) 0.777 87.570 ( 0.016 0.200 0.616) 0.648 87.575 ( 0.027 -0.006 0.134) 0.137======================= Grid point 922 (260/288) =======================q-point: (-0.43 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.388 ( -12.340 -0.421 7.070) 14.228 2.693 ( 9.664 -0.255 8.958) 13.180 2.881 ( -1.529 6.835 5.564) 8.945 3.874 ( -0.333 -0.609 21.804) 21.815 4.239 ( -2.464 -2.052 -4.261) 5.333 4.422 ( 6.945 -0.496 -10.499) 12.598 4.622 ( 0.394 12.740 -12.410) 17.790 5.536 ( -0.458 -2.037 11.105) 11.300 5.625 ( -0.401 4.250 7.922) 8.999 6.033 ( -5.392 -6.795 4.112) 9.600 6.364 ( -2.301 -4.367 2.062) 5.350 6.481 ( 1.858 -1.840 4.012) 4.789 6.790 ( -6.623 -3.570 0.126) 7.525 6.933 ( -0.195 -3.113 -3.947) 5.031 7.280 ( 7.433 1.181 -8.133) 11.081 7.368 ( 5.552 9.450 -5.922) 12.457 7.789 ( 4.015 -1.878 -4.174) 6.089 8.005 ( 0.077 12.624 -0.852) 12.653 8.539 ( -0.200 -3.908 0.509) 3.946 8.679 ( -1.802 1.770 -1.531) 2.953 9.273 ( -2.087 -2.464 8.869) 9.438 22.632 ( -0.007 -0.677 3.370) 3.437 22.733 ( 0.914 2.229 2.144) 3.225 22.923 ( -0.422 -1.651 1.687) 2.398 31.397 ( -0.953 -0.270 -1.218) 1.570 31.447 ( 1.040 0.719 -2.065) 2.421 31.604 ( -0.171 -0.467 -1.753) 1.822 40.362 ( 0.302 1.538 -2.245) 2.738 40.381 ( 1.339 1.735 -2.725) 3.497 40.756 ( -0.386 -1.039 0.110) 1.114 41.433 ( -0.128 -1.211 0.590) 1.353 41.501 ( 0.429 1.044 -0.682) 1.319 41.754 ( -0.689 -1.388 -0.966) 1.826 47.235 ( 1.756 -5.904 5.325) 8.142 47.429 ( 0.102 -1.784 -0.403) 1.832 48.221 ( -4.420 7.302 -26.864) 28.187 87.573 ( -0.105 -0.051 0.142) 0.184 87.580 ( 0.229 -0.012 0.652) 0.691 87.585 ( 0.109 0.298 0.686) 0.756======================= Grid point 923 (261/288) =======================q-point: (-0.36 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.432 ( -10.795 1.059 6.788) 12.796 2.877 ( 5.532 0.515 6.426) 8.495 3.086 ( 6.018 9.927 10.423) 15.601 4.117 ( -1.209 -2.385 -3.443) 4.359 4.184 ( -1.797 -0.445 7.114) 7.351 4.323 ( 5.498 3.681 -3.722) 7.591 4.489 ( 3.153 8.753 -6.805) 11.527 5.613 ( -3.851 -3.838 0.754) 5.489 5.709 ( -0.815 3.334 1.766) 3.860 6.011 ( -2.653 -6.079 1.766) 6.864 6.326 ( -5.347 -5.122 -1.587) 7.572 6.547 ( -4.033 -0.092 1.260) 4.226 6.788 ( 0.171 -7.003 4.092) 8.113 6.930 ( 1.723 3.000 3.832) 5.162 7.173 ( 4.774 0.296 -8.502) 9.756 7.389 ( 6.994 8.469 -1.305) 11.060 7.772 ( 4.760 -4.267 -0.643) 6.425 8.051 ( 1.142 12.507 0.054) 12.559 8.551 ( 0.416 -2.929 1.946) 3.541 8.650 ( -2.491 1.304 -0.702) 2.898 9.370 ( -4.181 -3.963 6.017) 8.330 22.690 ( 0.226 -0.090 3.165) 3.174 22.777 ( 0.969 1.555 1.169) 2.173 22.935 ( -0.712 -1.541 0.937) 1.939 31.372 ( -0.863 -0.031 -0.763) 1.153 31.421 ( 1.059 0.578 -1.851) 2.210 31.572 ( -0.263 -0.504 -1.433) 1.541 40.337 ( 0.862 1.754 -1.727) 2.608 40.355 ( 1.748 2.081 -2.120) 3.447 40.749 ( -0.618 -1.170 0.023) 1.323 41.438 ( 0.194 -0.740 0.436) 0.880 41.491 ( 0.260 0.816 -1.067) 1.368 41.724 ( -1.182 -1.735 -0.984) 2.319 47.314 ( 1.181 -4.151 3.232) 5.392 47.372 ( 1.427 -9.285 -2.918) 9.837 47.848 ( -5.575 13.197 -15.273) 20.940 87.574 ( -0.023 0.011 0.079) 0.083 87.592 ( 0.106 0.037 0.519) 0.532 87.599 ( 0.319 0.336 0.588) 0.749======================= Grid point 924 (262/288) =======================q-point: (-0.29 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1376Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -6.069 -0.231 5.603) 8.263 3.015 ( 3.966 3.148 4.444) 6.737 3.342 ( 7.417 9.629 7.744) 14.412 4.032 ( 3.521 0.464 -4.333) 5.603 4.183 ( 1.357 -0.562 -3.055) 3.390 4.312 ( 1.314 9.114 -3.728) 9.934 4.571 ( 3.181 2.207 6.737) 7.770 5.534 ( -4.391 -6.536 -2.566) 8.282 5.733 ( -2.123 4.463 1.006) 5.044 6.028 ( 1.979 -2.368 1.228) 3.321 6.239 ( -6.501 -5.722 0.076) 8.661 6.463 ( -4.834 -1.704 -4.663) 6.929 6.869 ( 1.102 -5.495 5.382) 7.770 7.032 ( 1.481 2.845 2.613) 4.137 7.064 ( 1.251 0.439 -5.333) 5.495 7.449 ( 6.439 5.025 -0.651) 8.193 7.769 ( 1.343 -2.924 -0.881) 3.336 8.120 ( 3.131 9.173 1.034) 9.748 8.577 ( 0.218 -2.312 1.405) 2.714 8.635 ( -1.606 0.997 0.295) 1.913 9.405 ( -4.499 -4.048 3.273) 6.880 22.744 ( 0.478 0.340 2.545) 2.612 22.796 ( 0.802 0.992 -0.254) 1.301 22.936 ( -0.997 -1.396 0.401) 1.762 31.359 ( -0.604 0.065 -0.086) 0.614 31.402 ( 0.981 0.540 -1.313) 1.725 31.548 ( -0.375 -0.512 -0.811) 1.030 40.328 ( 1.444 1.801 -0.865) 2.465 40.347 ( 2.094 2.425 -1.180) 3.414 40.738 ( -1.031 -1.404 -0.105) 1.745 41.446 ( 0.405 -0.444 0.472) 0.764 41.475 ( 0.085 0.733 -1.078) 1.306 41.693 ( -1.597 -1.905 -0.598) 2.557 47.216 ( -2.219 -8.807 -5.138) 10.435 47.402 ( 1.251 -2.832 2.216) 3.807 47.706 ( -1.040 11.622 -3.743) 12.254 87.576 ( 0.050 0.055 0.065) 0.098 87.600 ( 0.018 0.084 0.276) 0.289 87.611 ( 0.449 0.357 0.316) 0.655======================= Grid point 935 (263/288) =======================q-point: (-0.50 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.537 ( 0.000 2.446 8.269) 8.624 2.561 ( -0.000 -2.086 7.840) 8.113 2.894 ( 0.000 6.751 2.905) 7.350 3.876 ( 0.000 -0.153 23.046) 23.046 4.265 ( 0.000 -2.678 -3.428) 4.350 4.363 ( 0.000 0.549 -11.747) 11.760 4.618 ( 0.000 13.379 -12.959) 18.626 5.540 ( 0.000 -1.251 12.131) 12.195 5.626 ( 0.000 4.194 7.680) 8.751 6.074 ( 0.000 -8.290 4.503) 9.434 6.385 ( -0.000 -3.131 1.786) 3.604 6.460 ( 0.000 -3.104 6.236) 6.966 6.867 ( 0.000 -6.504 -1.406) 6.654 6.912 ( -0.000 -1.727 -5.759) 6.012 7.224 ( 0.000 0.381 -6.492) 6.503 7.327 ( 0.000 11.179 -6.203) 12.784 7.761 ( 0.000 -0.542 -4.858) 4.888 8.005 ( 0.000 12.416 -0.737) 12.437 8.541 ( 0.000 -4.277 0.304) 4.288 8.691 ( 0.000 2.239 -1.540) 2.717 9.287 ( 0.000 -2.652 9.452) 9.817 22.632 ( 0.000 -0.980 3.374) 3.513 22.726 ( 0.000 2.602 2.134) 3.365 22.926 ( 0.000 -1.811 1.757) 2.523 31.405 ( -0.000 -0.271 -1.290) 1.319 31.439 ( 0.000 0.758 -2.015) 2.153 31.605 ( 0.000 -0.492 -1.746) 1.814 40.361 ( 0.000 1.696 -2.299) 2.857 40.370 ( -0.000 1.696 -2.749) 3.230 40.758 ( 0.000 -1.098 0.109) 1.104 41.434 ( 0.000 -1.429 0.485) 1.509 41.498 ( 0.000 1.198 -0.585) 1.333 41.759 ( 0.000 -1.459 -0.895) 1.711 47.222 ( 0.000 -6.830 5.410) 8.713 47.429 ( 0.000 -1.236 -0.559) 1.357 48.252 ( -0.000 8.202 -26.987) 28.206 87.574 ( 0.000 -0.031 0.041) 0.051 87.578 ( 0.000 -0.046 0.749) 0.751 87.584 ( 0.000 0.300 0.668) 0.733======================= Grid point 937 (264/288) =======================q-point: (-0.43 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -11.245 0.617 4.897) 12.280 2.765 ( 9.845 3.134 6.822) 12.381 3.038 ( 1.542 9.997 8.739) 13.368 4.141 ( -2.041 1.004 -9.638) 9.903 4.193 ( 0.581 -1.234 1.554) 2.068 4.267 ( 2.288 0.434 11.272) 11.510 4.455 ( 1.470 11.267 -10.752) 15.643 5.661 ( -3.317 -0.862 1.486) 3.736 5.699 ( 2.080 1.947 1.573) 3.254 6.050 ( -2.165 -10.528 0.503) 10.760 6.379 ( -2.061 -4.996 -0.572) 5.434 6.585 ( -1.578 0.659 2.899) 3.366 6.814 ( -3.603 -4.879 2.113) 6.423 6.884 ( 4.548 -1.265 2.628) 5.403 7.124 ( 2.003 -0.271 -5.670) 6.019 7.320 ( 2.727 11.308 -1.186) 11.692 7.721 ( 2.129 -2.620 -0.200) 3.382 8.043 ( 0.183 12.421 -0.651) 12.439 8.547 ( 0.133 -3.037 1.823) 3.544 8.673 ( -0.877 1.665 -1.061) 2.160 9.411 ( -1.613 -4.618 6.574) 8.194 22.688 ( 0.051 -0.361 3.136) 3.157 22.767 ( 0.395 1.962 1.224) 2.346 22.942 ( -0.278 -1.781 1.070) 2.096 31.383 ( -0.574 0.111 -0.884) 1.059 31.409 ( 0.638 0.506 -1.786) 1.962 31.574 ( -0.087 -0.545 -1.419) 1.522 40.331 ( 0.014 1.997 -1.894) 2.752 40.337 ( 0.884 2.055 -2.093) 3.063 40.755 ( -0.205 -1.227 0.090) 1.248 41.436 ( 0.072 -0.917 0.350) 0.984 41.488 ( 0.091 0.919 -0.948) 1.324 41.735 ( -0.412 -1.880 -0.883) 2.118 47.292 ( 1.161 -5.773 4.813) 7.606 47.366 ( -0.025 -7.741 -4.287) 8.849 47.902 ( -2.125 14.020 -16.303) 21.607 87.574 ( -0.025 0.025 0.037) 0.051 87.590 ( 0.105 -0.006 0.576) 0.585 87.597 ( 0.063 0.365 0.554) 0.666======================= Grid point 938 (265/288) =======================q-point: (-0.36 0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.584 ( -7.447 -1.395 2.341) 7.930 2.941 ( 6.363 6.375 4.466) 10.054 3.260 ( 4.371 10.883 7.987) 14.189 3.991 ( 2.304 4.208 -7.252) 8.695 4.163 ( 1.024 -1.267 -1.839) 2.457 4.311 ( -0.399 8.310 -6.400) 10.496 4.535 ( 1.929 1.168 9.552) 9.814 5.592 ( -4.140 -5.063 -2.929) 7.166 5.739 ( 1.329 3.296 0.208) 3.560 6.022 ( -0.943 -5.979 1.159) 6.162 6.321 ( -5.088 -5.465 0.167) 7.469 6.503 ( -1.191 -1.789 -6.838) 7.167 6.878 ( -2.433 -3.586 6.124) 7.502 6.993 ( 3.814 -0.834 3.522) 5.258 7.052 ( 0.869 0.198 -2.565) 2.716 7.377 ( 3.796 8.881 -0.074) 9.659 7.741 ( 2.242 -3.124 1.288) 4.055 8.082 ( 1.961 11.003 -0.689) 11.197 8.574 ( 0.161 -1.952 1.836) 2.685 8.655 ( -1.117 1.112 -0.777) 1.757 9.460 ( -3.203 -5.717 3.168) 7.279 22.739 ( 0.242 0.251 2.466) 2.491 22.787 ( 0.511 1.287 -0.096) 1.388 22.947 ( -0.600 -1.667 0.526) 1.848 31.368 ( -0.670 0.245 -0.342) 0.791 31.390 ( 0.860 0.435 -1.148) 1.499 31.552 ( -0.187 -0.554 -0.781) 0.975 40.314 ( 0.607 2.066 -1.044) 2.393 40.324 ( 1.262 2.470 -1.130) 2.995 40.749 ( -0.504 -1.413 0.019) 1.501 41.442 ( 0.210 -0.451 0.480) 0.692 41.474 ( 0.053 0.696 -0.998) 1.218 41.710 ( -0.869 -2.122 -0.528) 2.353 47.242 ( -1.596 -8.320 -4.070) 9.398 47.368 ( 2.766 -4.359 4.002) 6.532 47.734 ( -2.171 13.253 -7.895) 15.578 87.575 ( 0.007 0.072 0.034) 0.080 87.599 ( 0.097 0.036 0.307) 0.324 87.607 ( 0.180 0.426 0.324) 0.565======================= Grid point 939 (266/288) =======================q-point: (-0.29 -0.50 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.563 ( -2.081 -3.604 0.000) 4.162 3.045 ( 3.964 6.866 0.000) 7.928 3.414 ( 5.806 10.057 0.000) 11.612 3.971 ( 3.111 5.388 0.000) 6.221 4.142 ( -0.256 -0.443 0.000) 0.512 4.288 ( 4.318 7.479 0.000) 8.636 4.640 ( 1.022 1.770 0.000) 2.044 5.506 ( -4.148 -7.184 0.000) 8.296 5.766 ( 2.242 3.883 0.000) 4.483 6.014 ( -1.242 -2.151 0.000) 2.484 6.275 ( -4.646 -8.047 0.000) 9.291 6.411 ( -0.717 -1.241 0.000) 1.433 6.912 ( -2.325 -4.027 0.000) 4.650 6.992 ( -0.416 -0.721 0.000) 0.833 7.075 ( 1.185 2.053 0.000) 2.370 7.429 ( 3.428 5.938 0.000) 6.857 7.752 ( -0.652 -1.129 0.000) 1.304 8.137 ( 4.678 8.103 0.000) 9.356 8.585 ( -0.814 -1.410 0.000) 1.628 8.646 ( 0.095 0.165 0.000) 0.190 9.443 ( -3.071 -5.319 0.000) 6.142 22.777 ( 0.370 0.641 0.000) 0.740 22.782 ( 0.511 0.885 0.000) 1.022 22.940 ( -0.900 -1.558 0.000) 1.799 31.363 ( -0.060 -0.104 0.000) 0.120 31.386 ( 0.449 0.778 0.000) 0.899 31.541 ( -0.320 -0.554 0.000) 0.639 40.319 ( 1.162 2.012 0.000) 2.323 40.334 ( 1.616 2.799 0.000) 3.232 40.738 ( -0.917 -1.588 0.000) 1.833 41.449 ( -0.085 -0.147 0.000) 0.170 41.465 ( 0.331 0.573 0.000) 0.661 41.689 ( -1.260 -2.183 0.000) 2.520 47.156 ( -4.063 -7.038 0.000) 8.127 47.413 ( -0.663 -1.149 0.000) 1.326 47.702 ( 4.725 8.185 0.000) 9.451 87.576 ( 0.047 0.081 0.000) 0.093 87.602 ( 0.049 0.085 0.000) 0.098 87.613 ( 0.259 0.449 0.000) 0.519======================= Grid point 952 (267/288) =======================q-point: (-0.43 0.57 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 0.000 -3.832 -0.689) 3.894 2.882 ( -0.000 9.687 6.396) 11.608 3.230 ( -0.000 11.222 7.874) 13.709 3.975 ( -0.000 5.830 -8.572) 10.366 4.157 ( 0.000 -1.912 -0.789) 2.068 4.314 ( -0.000 8.361 -8.055) 11.610 4.522 ( 0.000 0.574 11.106) 11.121 5.629 ( 0.000 -3.227 -3.107) 4.480 5.720 ( -0.000 1.386 -0.123) 1.392 6.033 ( 0.000 -7.617 1.217) 7.713 6.359 ( 0.000 -4.929 0.689) 4.976 6.507 ( -0.000 -2.125 -8.400) 8.664 6.920 ( 0.000 -1.348 3.473) 3.726 6.942 ( 0.000 -2.952 8.239) 8.752 7.045 ( -0.000 -0.326 -2.840) 2.859 7.351 ( -0.000 10.390 0.257) 10.394 7.723 ( 0.000 -2.823 2.061) 3.495 8.069 ( -0.000 11.137 -1.516) 11.240 8.573 ( 0.000 -1.805 1.980) 2.679 8.663 ( -0.000 1.164 -1.120) 1.615 9.483 ( 0.000 -6.233 3.193) 7.003 22.737 ( 0.000 0.206 2.430) 2.439 22.783 ( -0.000 1.397 -0.021) 1.398 22.951 ( 0.000 -1.751 0.559) 1.838 31.376 ( -0.000 0.515 -0.227) 0.562 31.380 ( -0.000 0.192 -1.296) 1.310 31.553 ( 0.000 -0.569 -0.771) 0.958 40.311 ( -0.000 2.163 -1.211) 2.479 40.315 ( -0.000 2.483 -1.011) 2.681 40.752 ( 0.000 -1.415 0.061) 1.416 41.440 ( 0.000 -0.443 0.493) 0.662 41.474 ( -0.000 0.674 -0.977) 1.187 41.715 ( 0.000 -2.202 -0.498) 2.258 47.254 ( 0.000 -7.706 -3.549) 8.484 47.346 ( 0.000 -5.009 4.058) 6.447 47.750 ( -0.000 13.496 -8.918) 16.177 87.575 ( -0.000 0.082 0.019) 0.085 87.598 ( 0.000 0.011 0.329) 0.329 87.606 ( -0.000 0.454 0.320) 0.555======================= Grid point 954 (268/288) =======================q-point: (-0.36 -0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.586 ( -1.057 -4.548 -3.579) 5.883 3.004 ( 1.717 8.795 1.629) 9.107 3.357 ( 2.292 10.877 -0.409) 11.124 3.935 ( 1.630 8.422 0.863) 8.621 4.156 ( -1.192 -0.884 1.404) 2.043 4.245 ( 1.995 5.766 -2.791) 6.710 4.632 ( 0.289 1.442 0.411) 1.527 5.563 ( -3.558 -6.644 -0.205) 7.540 5.718 ( 3.483 1.484 -1.374) 4.028 6.037 ( -1.353 -2.632 1.614) 3.370 6.335 ( -3.723 -6.375 -3.936) 8.366 6.399 ( 1.996 -3.797 1.917) 4.698 6.951 ( -2.734 -1.401 0.963) 3.220 7.001 ( -1.127 -0.571 0.350) 1.310 7.042 ( 3.269 -0.820 0.780) 3.460 7.399 ( 1.027 9.375 0.320) 9.436 7.756 ( -0.124 -2.374 2.322) 3.323 8.084 ( 2.374 9.722 -1.960) 10.197 8.594 ( -0.485 -1.334 0.983) 1.727 8.644 ( 0.137 0.611 -1.296) 1.439 9.476 ( -1.420 -6.842 -0.449) 7.002 22.774 ( 0.058 0.790 0.800) 1.126 22.776 ( 0.258 0.888 -0.738) 1.183 22.949 ( -0.325 -1.700 0.061) 1.731 31.363 ( -0.008 -0.132 -0.549) 0.564 31.382 ( 0.140 0.838 0.486) 0.978 31.544 ( -0.106 -0.573 0.031) 0.584 40.309 ( 0.343 2.260 -0.135) 2.290 40.319 ( 0.622 2.771 0.083) 2.841 40.746 ( -0.306 -1.555 0.068) 1.586 41.451 ( -0.124 -0.013 0.662) 0.673 41.461 ( 0.210 0.446 -0.572) 0.755 41.701 ( -0.450 -2.344 0.028) 2.387 47.204 ( -2.403 -6.227 1.733) 6.896 47.398 ( 1.690 -3.712 2.843) 4.972 47.670 ( 0.741 9.999 -5.348) 11.363 87.576 ( 0.011 0.102 -0.010) 0.103 87.602 ( 0.054 0.028 0.023) 0.065 87.611 ( 0.062 0.535 0.021) 0.539======================= Grid point 968 (269/288) =======================q-point: (-0.36 -0.36 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 0.000 -5.137 -7.301) 8.927 3.012 ( -0.000 4.622 -3.606) 5.862 3.309 ( -0.000 11.809 -7.896) 14.206 4.042 ( -0.000 5.895 6.163) 8.528 4.203 ( 0.000 -1.809 2.060) 2.742 4.250 ( -0.000 6.568 2.999) 7.220 4.569 ( -0.000 3.498 -6.737) 7.591 5.569 ( 0.000 -7.772 1.745) 7.965 5.687 ( -0.000 0.489 -0.545) 0.732 6.050 ( -0.000 0.108 -1.250) 1.255 6.251 ( 0.000 -8.378 -0.560) 8.397 6.455 ( 0.000 -5.970 4.359) 7.391 6.926 ( -0.000 1.229 -4.057) 4.239 6.994 ( -0.000 -0.864 -4.285) 4.371 7.071 ( 0.000 1.971 6.768) 7.049 7.442 ( -0.000 10.211 0.412) 10.219 7.798 ( 0.000 -1.933 2.843) 3.437 8.066 ( -0.000 8.932 -2.748) 9.345 8.604 ( 0.000 -1.763 0.354) 1.798 8.612 ( -0.000 0.201 -2.148) 2.157 9.415 ( 0.000 -6.867 -3.635) 7.770 22.744 ( -0.000 0.564 -2.481) 2.544 22.793 ( -0.000 1.311 0.194) 1.326 22.940 ( 0.000 -1.624 -0.332) 1.658 31.357 ( 0.000 -0.481 0.028) 0.482 31.402 ( -0.000 1.113 1.342) 1.744 31.550 ( 0.000 -0.587 0.832) 1.018 40.322 ( -0.000 2.288 0.791) 2.421 40.340 ( -0.000 3.003 1.236) 3.247 40.743 ( 0.000 -1.563 0.129) 1.568 41.451 ( -0.000 0.211 -0.492) 0.535 41.470 ( -0.000 0.387 1.174) 1.236 41.699 ( 0.000 -2.425 0.600) 2.498 47.270 ( 0.000 -5.689 5.984) 8.257 47.422 ( 0.000 -3.192 1.944) 3.738 47.625 ( -0.000 6.975 -1.586) 7.154 87.575 ( -0.000 0.086 -0.063) 0.106 87.599 ( -0.000 0.022 -0.264) 0.265 87.611 ( -0.000 0.621 -0.302) 0.691======================= Grid point 1115 (270/288) =======================q-point: ( 0.36 -0.64 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.052 ( 0.000 -0.000 2.657) 2.657 2.568 ( 0.000 -0.000 18.012) 18.012 2.869 ( -0.000 0.000 -5.468) 5.468 2.869 ( 0.000 0.000 -5.468) 5.468 4.475 ( 0.000 -0.000 5.595) 5.595 4.475 ( 0.000 -0.000 5.595) 5.595 4.722 ( 0.000 -0.000 4.542) 4.542 4.722 ( 0.000 -0.000 4.542) 4.542 5.223 ( -0.000 0.000 -12.105) 12.105 5.487 ( 0.000 -0.000 8.137) 8.137 6.516 ( -0.000 0.000 0.255) 0.255 6.516 ( 0.000 -0.000 0.255) 0.255 7.074 ( -0.000 0.000 3.754) 3.754 7.074 ( 0.000 -0.000 3.754) 3.754 7.436 ( -0.000 0.000 -2.195) 2.195 8.004 ( -0.000 0.000 -22.175) 22.175 8.204 ( -0.000 0.000 -8.572) 8.572 8.204 ( 0.000 0.000 -8.572) 8.572 8.701 ( 0.000 -0.000 8.244) 8.244 8.760 ( -0.000 0.000 -2.437) 2.437 8.760 ( 0.000 -0.000 -2.437) 2.437 22.551 ( -0.000 0.000 0.627) 0.627 22.551 ( 0.000 -0.000 0.627) 0.627 22.790 ( 0.000 -0.000 3.828) 3.828 31.498 ( -0.000 0.000 -0.933) 0.933 31.498 ( 0.000 0.000 -0.933) 0.933 31.678 ( -0.000 0.000 -0.197) 0.197 40.477 ( -0.000 0.000 -1.962) 1.962 40.477 ( 0.000 0.000 -1.962) 1.962 40.780 ( -0.000 0.000 -0.200) 0.200 41.434 ( -0.000 0.000 1.258) 1.258 41.434 ( 0.000 -0.000 1.258) 1.258 41.788 ( 0.000 -0.000 0.282) 0.282 47.092 ( -0.000 0.000 5.855) 5.855 47.092 ( 0.000 -0.000 5.855) 5.855 49.905 ( -0.000 0.000 -25.463) 25.463 87.545 ( -0.000 -0.000 0.385) 0.385 87.545 ( 0.000 -0.000 0.385) 0.385 87.573 ( 0.000 -0.000 0.047) 0.047======================= Grid point 1118 (271/288) =======================q-point: (-0.57 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.153 ( 1.425 0.823 7.462) 7.641 2.676 ( -11.607 -6.701 -3.267) 13.795 2.781 ( -7.207 -4.161 3.929) 9.202 3.025 ( 11.640 6.720 16.362) 21.175 4.449 ( -4.997 -2.885 -2.497) 6.287 4.555 ( 6.717 3.878 -1.754) 7.952 4.932 ( 0.049 0.028 18.321) 18.321 4.961 ( 1.552 0.896 11.652) 11.789 5.003 ( 3.174 1.832 -7.997) 8.796 5.687 ( -0.814 -0.470 14.047) 14.078 6.461 ( -3.567 -2.059 -1.922) 4.545 6.528 ( 3.185 1.839 -2.743) 4.588 7.044 ( -10.833 -6.254 0.988) 12.548 7.146 ( -0.206 -0.119 0.286) 0.372 7.401 ( 5.243 3.027 -3.923) 7.214 7.617 ( 3.262 1.883 -20.514) 20.857 8.021 ( -1.394 -0.805 -8.272) 8.427 8.063 ( 3.454 1.994 -10.893) 11.600 8.676 ( -3.325 -1.920 -3.188) 4.991 8.731 ( 2.450 1.415 -3.328) 4.368 8.897 ( 0.920 0.531 11.849) 11.896 22.557 ( -1.793 -1.035 2.056) 2.918 22.596 ( 2.277 1.315 2.002) 3.305 22.854 ( -0.419 -0.242 3.472) 3.505 31.465 ( -1.341 -0.774 -1.307) 2.026 31.489 ( 1.387 0.801 -1.497) 2.192 31.666 ( -0.088 -0.051 -1.087) 1.092 40.433 ( -0.361 -0.208 -2.286) 2.323 40.447 ( 1.158 0.668 -2.486) 2.822 40.773 ( -0.423 -0.244 -0.262) 0.554 41.436 ( -1.901 -1.098 1.095) 2.453 41.470 ( 1.854 1.070 0.716) 2.258 41.790 ( -0.252 -0.146 -0.048) 0.295 47.147 ( -4.387 -2.533 5.711) 7.634 47.243 ( 5.185 2.994 5.182) 7.918 49.369 ( -0.968 -0.559 -33.398) 33.416 87.553 ( -0.103 -0.060 0.642) 0.653 87.556 ( 0.157 0.091 0.595) 0.622 87.574 ( -0.028 -0.016 0.050) 0.059======================= Grid point 1119 (272/288) =======================q-point: (-0.50 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.300 ( -3.824 -2.208 8.202) 9.315 2.592 ( -2.628 -1.517 3.110) 4.345 2.767 ( -2.948 -1.702 1.617) 3.769 3.462 ( 3.441 1.987 23.198) 23.536 4.347 ( -3.959 -2.286 -3.991) 6.069 4.551 ( 7.002 4.043 -5.382) 9.713 4.744 ( 2.796 1.614 -15.682) 16.011 5.286 ( 0.887 0.512 18.914) 18.942 5.327 ( 2.366 1.366 17.654) 17.864 5.930 ( -3.423 -1.976 13.989) 14.536 6.399 ( -2.369 -1.368 -1.368) 3.058 6.494 ( 1.564 0.903 -2.699) 3.247 6.905 ( -12.893 -7.444 -3.255) 15.239 7.082 ( -4.679 -2.702 -4.032) 6.742 7.379 ( 8.170 4.717 -6.389) 11.393 7.387 ( 8.904 5.141 -11.945) 15.761 7.906 ( 1.497 0.864 -4.643) 4.955 7.917 ( 3.952 2.282 -8.160) 9.349 8.601 ( -3.002 -1.733 -1.703) 3.862 8.693 ( 0.957 0.553 -2.613) 2.837 9.110 ( -0.495 -0.286 11.518) 11.532 22.589 ( -1.176 -0.679 2.944) 3.242 22.658 ( 2.188 1.263 2.588) 3.616 22.902 ( -0.735 -0.424 2.566) 2.703 31.429 ( -1.179 -0.681 -1.435) 1.978 31.470 ( 1.305 0.753 -1.904) 2.428 31.640 ( -0.206 -0.119 -1.640) 1.657 40.391 ( 0.271 0.156 -2.427) 2.447 40.411 ( 1.430 0.825 -2.841) 3.285 40.766 ( -0.618 -0.357 -0.045) 0.715 41.438 ( -1.352 -0.781 0.801) 1.755 41.491 ( 1.391 0.803 -0.025) 1.606 41.781 ( -0.635 -0.367 -0.506) 0.891 47.212 ( -2.696 -1.557 5.262) 6.114 47.362 ( 3.400 1.963 3.735) 5.419 48.746 ( -2.021 -1.167 -34.175) 34.254 87.566 ( -0.010 -0.006 0.740) 0.740 87.569 ( 0.113 0.065 0.679) 0.692 87.575 ( 0.022 0.013 0.078) 0.082======================= Grid point 1120 (273/288) =======================q-point: (-0.43 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.347 ( -10.361 -5.982 6.384) 13.560 2.758 ( 8.616 4.974 10.162) 14.221 2.804 ( -0.247 -0.143 4.181) 4.191 3.877 ( -0.197 -0.114 21.281) 21.282 4.243 ( -2.660 -1.536 -4.410) 5.374 4.497 ( 6.054 3.495 -6.976) 9.876 4.499 ( 4.754 2.745 -15.283) 16.239 5.555 ( -0.631 -0.364 10.220) 10.246 5.588 ( 0.899 0.519 9.207) 9.265 6.055 ( -8.287 -4.785 5.498) 11.036 6.388 ( -3.060 -1.767 1.702) 3.922 6.493 ( 0.235 0.136 2.068) 2.086 6.789 ( -5.659 -3.267 2.073) 6.855 6.953 ( -4.059 -2.343 -5.117) 6.939 7.306 ( 6.574 3.795 -9.158) 11.894 7.322 ( 10.590 6.114 -5.777) 13.524 7.869 ( 1.883 1.087 -2.000) 2.954 7.872 ( 6.432 3.714 -2.050) 7.705 8.567 ( -1.991 -1.149 0.444) 2.341 8.657 ( -0.653 -0.377 -1.538) 1.713 9.281 ( -3.118 -1.800 9.331) 10.001 22.637 ( -0.543 -0.313 3.263) 3.322 22.722 ( 1.956 1.129 2.305) 3.227 22.931 ( -0.980 -0.566 1.590) 1.952 31.395 ( -0.952 -0.550 -1.259) 1.671 31.446 ( 1.182 0.683 -2.035) 2.451 31.606 ( -0.315 -0.182 -1.757) 1.794 40.354 ( 0.893 0.516 -2.256) 2.480 40.375 ( 1.776 1.026 -2.752) 3.432 40.760 ( -0.717 -0.414 0.089) 0.832 41.440 ( -0.723 -0.418 0.512) 0.980 41.495 ( 0.967 0.558 -0.687) 1.311 41.760 ( -1.150 -0.664 -0.905) 1.607 47.283 ( -1.349 -0.779 4.645) 4.899 47.434 ( 1.331 0.768 1.972) 2.500 48.161 ( -2.475 -1.429 -28.554) 28.697 87.573 ( -0.087 -0.050 0.129) 0.164 87.581 ( 0.074 0.043 0.643) 0.648 87.583 ( 0.315 0.182 0.679) 0.770======================= Grid point 1121 (274/288) =======================q-point: (-0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( -7.848 -4.531 7.600) 11.828 2.901 ( 2.314 1.336 5.203) 5.849 3.041 ( 10.714 6.185 10.921) 16.502 4.137 ( 0.105 0.061 -6.382) 6.383 4.173 ( -3.067 -1.771 11.453) 11.988 4.315 ( 5.845 3.375 -10.154) 12.192 4.452 ( 5.778 3.336 -1.689) 6.882 5.632 ( -4.270 -2.465 1.522) 5.160 5.676 ( 0.241 0.139 1.339) 1.368 6.039 ( -5.725 -3.305 2.017) 6.912 6.340 ( -6.761 -3.904 -1.782) 8.008 6.532 ( -2.923 -1.688 1.210) 3.586 6.871 ( -0.752 -0.434 -0.125) 0.877 6.877 ( 0.036 0.021 8.051) 8.051 7.188 ( 4.051 2.339 -9.087) 10.220 7.362 ( 10.488 6.055 -1.076) 12.158 7.847 ( 0.309 0.179 -2.003) 2.035 7.945 ( 8.607 4.969 1.866) 10.112 8.577 ( -0.722 -0.417 1.855) 2.034 8.627 ( -1.636 -0.944 -0.689) 2.010 9.381 ( -5.579 -3.221 6.415) 9.091 22.692 ( 0.026 0.015 3.075) 3.075 22.770 ( 1.587 0.916 1.297) 2.245 22.942 ( -1.213 -0.700 0.835) 1.630 31.369 ( -0.690 -0.398 -0.771) 1.109 31.422 ( 1.059 0.611 -1.834) 2.204 31.574 ( -0.410 -0.236 -1.449) 1.524 40.329 ( 1.470 0.849 -1.689) 2.395 40.349 ( 2.209 1.275 -2.163) 3.344 40.754 ( -0.942 -0.544 0.010) 1.087 41.444 ( -0.185 -0.107 0.361) 0.419 41.486 ( 0.618 0.357 -1.084) 1.298 41.730 ( -1.698 -0.980 -0.958) 2.182 47.341 ( -1.327 -0.766 2.254) 2.725 47.455 ( -0.789 -0.456 0.047) 0.912 47.729 ( -0.512 -0.296 -17.130) 17.141 87.574 ( -0.003 -0.002 0.071) 0.071 87.592 ( 0.045 0.026 0.499) 0.502 87.598 ( 0.455 0.263 0.586) 0.787======================= Grid point 1134 (275/288) =======================q-point: ( 0.43 -0.57 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.319 ( 0.000 1.663 10.678) 10.807 2.624 ( 0.000 -13.221 -0.034) 13.221 2.788 ( -0.000 8.492 -2.555) 8.868 3.432 ( 0.000 1.318 25.780) 25.814 4.391 ( 0.000 -5.100 -4.022) 6.495 4.483 ( -0.000 5.691 -5.330) 7.797 4.727 ( -0.000 3.489 -15.936) 16.313 5.277 ( 0.000 -1.597 19.339) 19.404 5.314 ( 0.000 4.109 18.383) 18.836 5.954 ( 0.000 -1.915 15.204) 15.324 6.425 ( 0.000 -3.584 -1.385) 3.842 6.473 ( -0.000 1.900 -2.692) 3.295 7.043 ( 0.000 -9.062 -2.597) 9.427 7.092 ( 0.000 -5.112 -5.933) 7.831 7.305 ( -0.000 2.626 -5.490) 6.086 7.318 ( -0.000 10.063 -13.060) 16.487 7.881 ( -0.000 0.243 -8.220) 8.224 7.904 ( -0.000 4.489 -5.316) 6.958 8.626 ( 0.000 -4.220 -2.003) 4.671 8.682 ( -0.000 3.210 -2.322) 3.962 9.114 ( 0.000 -0.351 12.321) 12.326 22.601 ( 0.000 -2.147 2.882) 3.594 22.639 ( -0.000 2.780 2.633) 3.829 22.907 ( 0.000 -0.620 2.580) 2.653 31.440 ( 0.000 -1.005 -1.569) 1.863 31.458 ( -0.000 1.116 -1.790) 2.110 31.641 ( -0.000 -0.143 -1.629) 1.635 40.391 ( -0.000 0.062 -2.552) 2.552 40.399 ( -0.000 1.014 -2.782) 2.961 40.770 ( 0.000 -0.425 -0.101) 0.436 41.450 ( 0.000 -1.850 0.562) 1.933 41.479 ( -0.000 1.771 0.177) 1.780 41.785 ( 0.000 -0.414 -0.435) 0.601 47.235 ( 0.000 -6.751 5.205) 8.525 47.334 ( -0.000 6.495 4.103) 7.683 48.761 ( -0.000 0.048 -34.346) 34.346 87.566 ( 0.000 -0.112 0.748) 0.756 87.568 ( 0.000 0.173 0.697) 0.718 87.575 ( 0.000 -0.010 0.025) 0.027======================= Grid point 1136 (276/288) =======================q-point: (-0.50 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( -8.744 -2.342 8.327) 12.300 2.645 ( 7.249 -3.327 6.149) 10.071 2.805 ( 0.258 7.566 1.331) 7.687 3.875 ( 0.251 0.318 22.928) 22.931 4.286 ( -3.430 -2.714 -4.593) 6.342 4.389 ( 6.201 -1.310 -9.924) 11.775 4.483 ( 0.608 9.787 -13.025) 16.303 5.554 ( 0.236 -1.139 11.364) 11.423 5.586 ( -0.034 2.551 9.618) 9.951 6.148 ( -4.251 -6.045 7.853) 10.783 6.415 ( -1.140 -2.667 2.557) 3.867 6.479 ( 1.235 0.633 3.056) 3.356 6.892 ( -8.705 -5.144 -3.048) 10.561 6.981 ( 2.060 -5.288 -5.924) 8.204 7.203 ( 4.339 8.914 -6.294) 11.743 7.229 ( 4.670 3.851 -6.884) 9.166 7.787 ( 3.259 -2.184 -3.047) 4.967 7.875 ( -0.140 8.959 -1.537) 9.091 8.587 ( -0.810 -3.510 -0.165) 3.606 8.662 ( -0.121 2.211 -1.318) 2.577 9.311 ( -1.203 -1.880 10.499) 10.734 22.646 ( -0.537 -1.304 3.139) 3.441 22.700 ( 1.047 2.180 2.449) 3.442 22.940 ( -0.355 -0.855 1.648) 1.890 31.407 ( -0.704 -0.538 -1.448) 1.698 31.432 ( 0.782 0.749 -1.886) 2.174 31.609 ( -0.106 -0.228 -1.748) 1.766 40.348 ( 0.099 0.678 -2.423) 2.518 40.357 ( 0.826 1.043 -2.719) 3.027 40.767 ( -0.249 -0.530 0.062) 0.589 41.449 ( -0.430 -1.205 0.227) 1.300 41.484 ( 0.523 1.192 -0.452) 1.378 41.771 ( -0.406 -0.767 -0.766) 1.158 47.296 ( -0.524 -5.137 4.641) 6.943 47.416 ( 0.958 2.957 2.335) 3.888 48.189 ( -1.236 1.828 -29.196) 29.279 87.574 ( -0.079 -0.041 0.052) 0.103 87.579 ( 0.160 -0.052 0.690) 0.710 87.581 ( 0.025 0.233 0.659) 0.699======================= Grid point 1137 (277/288) =======================q-point: (-0.43 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.516 ( -10.961 -2.665 6.085) 12.817 2.824 ( 9.440 -0.624 4.298) 10.392 2.936 ( 4.132 10.082 9.055) 14.168 4.129 ( 0.626 0.551 -11.193) 11.224 4.207 ( -1.437 -1.660 9.376) 9.630 4.264 ( 1.491 2.072 -2.269) 3.416 4.377 ( 4.789 5.588 -3.145) 8.003 5.662 ( -1.029 -1.616 1.858) 2.669 5.681 ( -0.275 1.733 1.962) 2.632 6.135 ( -7.365 -8.470 0.828) 11.255 6.418 ( -3.976 -4.738 -0.489) 6.205 6.556 ( -1.215 1.757 2.145) 3.027 6.862 ( -0.602 -5.078 2.925) 5.892 6.903 ( -0.489 0.887 1.757) 2.028 7.138 ( 3.115 1.006 -6.434) 7.218 7.232 ( 7.726 8.914 -0.620) 11.812 7.787 ( 5.821 -4.233 0.082) 7.198 7.900 ( 0.057 11.478 -0.123) 11.479 8.582 ( -0.176 -2.489 1.237) 2.785 8.647 ( -1.120 1.314 -0.748) 1.882 9.445 ( -3.477 -3.636 7.366) 8.921 22.693 ( -0.248 -0.503 2.900) 2.954 22.751 ( 1.179 1.518 1.538) 2.461 22.956 ( -0.706 -0.988 0.930) 1.529 31.379 ( -0.689 -0.227 -0.984) 1.223 31.408 ( 0.878 0.534 -1.684) 1.973 31.578 ( -0.208 -0.287 -1.442) 1.485 40.315 ( 0.634 1.061 -1.863) 2.236 40.325 ( 1.308 1.295 -2.161) 2.839 40.764 ( -0.469 -0.652 0.072) 0.806 41.446 ( -0.135 -0.660 0.133) 0.686 41.479 ( 0.382 0.779 -0.863) 1.223 41.748 ( -0.924 -1.130 -0.819) 1.673 47.352 ( -0.302 -3.124 3.465) 4.675 47.442 ( 1.549 -3.666 -0.499) 4.011 47.758 ( -2.541 6.469 -18.714) 19.963 87.574 ( -0.023 0.002 0.022) 0.032 87.591 ( 0.112 -0.012 0.531) 0.542 87.594 ( 0.182 0.274 0.556) 0.646======================= Grid point 1138 (278/288) =======================q-point: (-0.36 0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.549 ( -7.520 -2.209 5.652) 9.662 2.934 ( 7.351 3.689 1.643) 8.387 3.186 ( 7.625 8.163 8.584) 14.088 3.963 ( 5.580 4.700 -9.498) 11.977 4.191 ( 1.504 -1.993 -2.043) 3.226 4.236 ( -1.027 4.053 -3.492) 5.448 4.536 ( 1.873 1.012 8.998) 9.247 5.631 ( -2.512 -5.136 -1.604) 5.938 5.696 ( -1.256 3.329 0.095) 3.560 6.076 ( -3.943 -5.045 0.333) 6.412 6.344 ( -6.050 -4.708 -0.048) 7.666 6.507 ( -2.351 -1.217 -5.022) 5.677 6.910 ( 0.442 -2.202 4.596) 5.115 7.007 ( 0.114 0.596 4.939) 4.976 7.053 ( 0.735 0.250 -4.524) 4.590 7.322 ( 8.079 7.062 0.371) 10.736 7.797 ( 1.990 -3.302 -0.924) 3.964 7.972 ( 5.026 10.201 1.567) 11.479 8.601 ( 0.495 -2.089 1.313) 2.517 8.632 ( -1.579 1.246 -0.265) 2.029 9.496 ( -5.376 -4.849 3.768) 8.162 22.739 ( 0.226 0.102 2.267) 2.280 22.778 ( 0.959 0.973 0.116) 1.371 22.957 ( -1.031 -1.067 0.423) 1.542 31.363 ( -0.477 -0.055 -0.260) 0.546 31.390 ( 0.821 0.448 -1.195) 1.518 31.555 ( -0.312 -0.330 -0.813) 0.931 40.300 ( 1.229 1.309 -0.947) 2.030 40.310 ( 1.744 1.614 -1.213) 2.668 40.757 ( -0.785 -0.833 -0.012) 1.145 41.448 ( 0.213 -0.299 0.308) 0.479 41.467 ( 0.131 0.533 -0.936) 1.085 41.723 ( -1.427 -1.409 -0.525) 2.073 47.316 ( -2.184 -5.421 -5.216) 7.834 47.433 ( 1.583 -4.115 1.008) 4.523 47.586 ( -0.353 9.428 -3.381) 10.022 87.575 ( 0.035 0.042 0.029) 0.062 87.599 ( 0.039 0.036 0.277) 0.282 87.605 ( 0.358 0.303 0.311) 0.563======================= Grid point 1150 (279/288) =======================q-point: (-0.50 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( 0.000 -3.205 5.472) 6.342 2.678 ( -0.000 0.638 5.010) 5.050 2.911 ( 0.000 10.821 7.163) 12.977 4.125 ( 0.000 1.913 -14.675) 14.799 4.212 ( 0.000 -2.184 3.148) 3.831 4.263 ( 0.000 -0.020 12.437) 12.437 4.339 ( -0.000 7.279 -7.938) 10.770 5.673 ( 0.000 0.530 0.616) 0.812 5.677 ( -0.000 0.410 3.352) 3.377 6.195 ( 0.000 -11.420 0.686) 11.441 6.440 ( -0.000 -4.433 0.521) 4.464 6.568 ( 0.000 3.286 2.276) 3.997 6.881 ( 0.000 -3.815 1.074) 3.963 6.889 ( -0.000 -2.269 0.960) 2.464 7.116 ( 0.000 0.580 -4.920) 4.954 7.177 ( 0.000 10.607 -0.013) 10.607 7.744 ( 0.000 -2.777 0.299) 2.793 7.901 ( 0.000 10.915 -0.442) 10.924 8.583 ( 0.000 -3.059 0.989) 3.215 8.655 ( 0.000 1.951 -0.723) 2.081 9.469 ( 0.000 -3.782 7.726) 8.602 22.696 ( 0.000 -0.918 2.802) 2.948 22.742 ( 0.000 1.952 1.663) 2.564 22.960 ( 0.000 -1.077 0.960) 1.442 31.385 ( 0.000 -0.205 -1.079) 1.099 31.401 ( 0.000 0.545 -1.612) 1.701 31.580 ( 0.000 -0.305 -1.439) 1.471 40.312 ( 0.000 1.212 -1.940) 2.288 40.315 ( -0.000 1.229 -2.145) 2.472 40.767 ( 0.000 -0.689 0.088) 0.695 41.447 ( 0.000 -0.945 0.019) 0.945 41.477 ( 0.000 1.020 -0.749) 1.265 41.754 ( 0.000 -1.188 -0.767) 1.414 47.353 ( 0.000 -5.011 3.994) 6.408 47.430 ( 0.000 -2.863 -1.240) 3.120 47.777 ( -0.000 7.967 -18.806) 20.424 87.574 ( 0.000 0.010 -0.002) 0.010 87.590 ( 0.000 -0.017 0.566) 0.566 87.593 ( 0.000 0.263 0.528) 0.590======================= Grid point 1152 (280/288) =======================q-point: (-0.43 0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 1372Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.662 ( -8.417 -2.500 2.535) 9.139 2.821 ( 8.435 4.544 2.883) 10.006 3.113 ( 2.819 9.951 8.452) 13.356 3.908 ( 2.158 5.967 -11.135) 12.816 4.180 ( 0.243 -1.875 -1.246) 2.264 4.245 ( -0.307 3.683 -4.666) 5.952 4.519 ( 0.605 0.384 10.634) 10.658 5.653 ( -0.962 -2.283 -1.287) 2.792 5.703 ( 0.172 1.973 -0.361) 2.013 6.134 ( -3.179 -9.968 -0.450) 10.473 6.405 ( -2.597 -4.512 -0.273) 5.213 6.521 ( -0.146 -0.301 -5.885) 5.894 6.923 ( -2.173 -1.243 4.224) 4.910 6.980 ( 3.205 -0.376 5.630) 6.489 7.048 ( 0.234 0.032 -2.982) 2.992 7.246 ( 2.757 8.235 1.381) 8.794 7.761 ( 2.053 -2.759 1.456) 3.734 7.936 ( 0.912 11.317 -0.752) 11.378 8.596 ( 0.169 -2.007 1.374) 2.438 8.647 ( -0.588 1.216 -0.677) 1.511 9.548 ( -2.065 -5.469 3.950) 7.055 22.737 ( 0.037 -0.118 2.076) 2.080 22.769 ( 0.391 1.251 0.377) 1.364 22.967 ( -0.372 -1.183 0.454) 1.321 31.370 ( -0.460 0.140 -0.437) 0.649 31.380 ( 0.577 0.297 -1.065) 1.247 31.558 ( -0.105 -0.351 -0.802) 0.882 40.290 ( 0.278 1.469 -1.087) 1.849 40.293 ( 0.752 1.608 -1.154) 2.117 40.764 ( -0.258 -0.859 0.046) 0.898 41.446 ( 0.087 -0.457 0.198) 0.506 41.466 ( 0.035 0.660 -0.791) 1.031 41.736 ( -0.507 -1.526 -0.473) 1.676 47.335 ( -0.778 -6.343 -5.013) 8.122 47.404 ( 1.561 -4.107 2.922) 5.276 47.603 ( -1.087 10.798 -6.155) 12.476 87.574 ( 0.007 0.050 0.005) 0.050 87.598 ( 0.056 0.014 0.308) 0.314 87.602 ( 0.091 0.327 0.297) 0.451======================= Grid point 1153 (281/288) =======================q-point: (-0.36 -0.50 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.632 ( -2.936 -5.086 0.000) 5.873 2.920 ( 4.885 8.461 0.000) 9.770 3.264 ( 5.134 8.892 0.000) 10.267 3.853 ( 4.794 8.304 0.000) 9.589 4.163 ( -0.924 -1.600 0.000) 1.847 4.213 ( 1.502 2.602 -0.000) 3.004 4.622 ( 0.405 0.702 0.000) 0.811 5.610 ( -3.081 -5.336 0.000) 6.162 5.711 ( 1.660 2.875 0.000) 3.320 6.077 ( -3.571 -6.185 0.000) 7.142 6.381 ( -3.157 -5.468 -0.000) 6.314 6.434 ( -0.874 -1.513 0.000) 1.748 6.957 ( -0.919 -1.592 0.000) 1.838 7.005 ( -0.552 -0.955 0.000) 1.103 7.056 ( 0.454 0.787 0.000) 0.909 7.313 ( 4.535 7.855 0.000) 9.070 7.775 ( -0.853 -1.477 0.000) 1.706 7.990 ( 5.716 9.901 0.000) 11.433 8.606 ( -0.750 -1.299 0.000) 1.500 8.638 ( 0.316 0.547 0.000) 0.632 9.539 ( -3.649 -6.321 0.000) 7.299 22.767 ( 0.321 0.555 0.000) 0.641 22.769 ( 0.403 0.699 -0.000) 0.807 22.963 ( -0.732 -1.268 0.000) 1.464 31.364 ( -0.048 -0.083 0.000) 0.096 31.375 ( 0.331 0.573 0.000) 0.662 31.548 ( -0.224 -0.389 0.000) 0.449 40.290 ( 0.910 1.576 0.000) 1.819 40.297 ( 1.154 2.000 0.000) 2.309 40.758 ( -0.590 -1.021 0.000) 1.180 41.451 ( -0.045 -0.078 0.000) 0.090 41.458 ( 0.223 0.386 0.000) 0.446 41.720 ( -1.003 -1.737 0.000) 2.006 47.252 ( -2.941 -5.094 0.000) 5.882 47.434 ( -0.847 -1.467 0.000) 1.694 47.584 ( 3.885 6.729 0.000) 7.770 87.575 ( 0.038 0.066 0.000) 0.077 87.601 ( 0.031 0.053 0.000) 0.061 87.607 ( 0.214 0.371 0.000) 0.428======================= Grid point 1167 (282/288) =======================q-point: (-0.43 -0.43 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.654 ( 0.000 -6.008 -3.266) 6.838 2.886 ( -0.000 9.457 2.687) 9.831 3.227 ( -0.000 9.577 -0.260) 9.581 3.819 ( -0.000 9.143 0.071) 9.144 4.173 ( 0.000 -1.142 1.252) 1.694 4.200 ( -0.000 1.543 -1.536) 2.177 4.620 ( -0.000 0.616 0.131) 0.629 5.639 ( 0.000 -3.702 0.667) 3.761 5.689 ( -0.000 1.284 -1.212) 1.766 6.106 ( 0.000 -8.075 0.421) 8.086 6.411 ( 0.000 -4.372 -4.462) 6.247 6.431 ( 0.000 -2.782 3.797) 4.707 6.967 ( 0.000 -0.235 -0.006) 0.235 7.012 ( 0.000 -0.706 -0.419) 0.821 7.044 ( 0.000 0.107 1.307) 1.311 7.283 ( -0.000 8.440 0.072) 8.440 7.781 ( 0.000 -1.572 2.046) 2.580 7.949 ( -0.000 10.861 -2.024) 11.048 8.612 ( 0.000 -1.296 1.055) 1.672 8.636 ( -0.000 0.539 -1.151) 1.271 9.565 ( 0.000 -6.809 -0.117) 6.810 22.765 ( -0.000 0.623 1.009) 1.186 22.766 ( -0.000 0.681 -0.983) 1.196 22.968 ( 0.000 -1.315 0.019) 1.315 31.365 ( -0.000 -0.094 -0.421) 0.431 31.373 ( -0.000 0.593 0.399) 0.715 31.550 ( 0.000 -0.393 0.011) 0.393 40.284 ( -0.000 1.656 -0.096) 1.658 40.288 ( -0.000 1.998 0.074) 1.999 40.762 ( 0.000 -1.013 0.026) 1.013 41.451 ( 0.000 -0.024 0.573) 0.573 41.456 ( -0.000 0.339 -0.542) 0.639 41.727 ( 0.000 -1.800 0.013) 1.800 47.275 ( 0.000 -4.571 1.122) 4.707 47.433 ( 0.000 -2.871 2.133) 3.577 47.562 ( -0.000 7.651 -3.528) 8.426 87.575 ( -0.000 0.071 -0.005) 0.071 87.601 ( -0.000 0.031 0.019) 0.036 87.606 ( -0.000 0.406 -0.002) 0.406======================= Grid point 1348 (283/288) =======================q-point: ( 0.43 -0.57 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 0.000 -0.000 12.700) 12.700 2.702 ( -0.000 0.000 0.339) 0.339 2.702 ( 0.000 -0.000 0.339) 0.339 3.871 ( 0.000 -0.000 23.530) 23.530 4.349 ( -0.000 0.000 -5.062) 5.062 4.349 ( 0.000 0.000 -5.062) 5.062 4.414 ( -0.000 0.000 -17.398) 17.398 5.565 ( 0.000 -0.000 10.841) 10.841 5.565 ( 0.000 -0.000 10.841) 10.841 6.203 ( 0.000 -0.000 10.575) 10.575 6.451 ( 0.000 0.000 2.291) 2.291 6.451 ( 0.000 -0.000 2.291) 2.291 7.003 ( -0.000 0.000 -6.650) 6.650 7.003 ( -0.000 0.000 -6.650) 6.650 7.082 ( -0.000 0.000 -5.468) 5.468 7.195 ( -0.000 0.000 -5.379) 5.379 7.805 ( -0.000 0.000 -2.268) 2.268 7.805 ( 0.000 -0.000 -2.268) 2.268 8.630 ( -0.000 0.000 -0.823) 0.823 8.630 ( 0.000 -0.000 -0.823) 0.823 9.327 ( 0.000 -0.000 11.088) 11.088 22.669 ( -0.000 -0.000 2.808) 2.808 22.669 ( 0.000 -0.000 2.808) 2.808 22.947 ( 0.000 -0.000 1.634) 1.634 31.419 ( -0.000 0.000 -1.676) 1.676 31.419 ( -0.000 0.000 -1.676) 1.676 31.611 ( -0.000 0.000 -1.746) 1.746 40.345 ( -0.000 0.000 -2.599) 2.599 40.345 ( -0.000 0.000 -2.599) 2.599 40.771 ( 0.000 -0.000 0.036) 0.036 41.467 ( -0.000 0.000 -0.134) 0.134 41.467 ( 0.000 -0.000 -0.134) 0.134 41.777 ( -0.000 0.000 -0.698) 0.698 47.360 ( 0.000 0.000 3.786) 3.786 47.360 ( 0.000 -0.000 3.786) 3.786 48.184 ( -0.000 0.000 -29.873) 29.873 87.575 ( -0.000 0.000 -0.015) 0.015 87.579 ( 0.000 -0.000 0.694) 0.694 87.579 ( 0.000 -0.000 0.694) 0.694======================= Grid point 1351 (284/288) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 735Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( -10.040 -5.797 4.703) 12.511 2.770 ( 5.951 3.436 0.960) 6.939 2.800 ( 6.701 3.869 10.871) 13.344 4.112 ( 1.016 0.587 -16.166) 16.208 4.238 ( -1.605 -0.927 14.641) 14.758 4.251 ( -0.794 -0.459 -3.958) 4.063 4.297 ( 4.473 2.583 -1.253) 5.315 5.671 ( 0.002 0.001 1.726) 1.726 5.673 ( 0.095 0.055 2.461) 2.463 6.273 ( -7.243 -4.182 1.241) 8.455 6.480 ( -2.660 -1.536 0.983) 3.225 6.529 ( 2.338 1.350 2.240) 3.508 6.903 ( -1.512 -0.873 1.311) 2.183 6.911 ( -0.832 -0.480 -2.754) 2.917 7.105 ( 5.784 3.339 2.303) 7.065 7.112 ( 1.143 0.660 -4.696) 4.878 7.785 ( 1.585 0.915 0.430) 1.881 7.810 ( 2.177 1.257 -0.364) 2.540 8.609 ( -1.550 -0.895 0.468) 1.850 8.636 ( 0.948 0.548 -0.365) 1.154 9.492 ( -1.865 -1.077 8.126) 8.407 22.705 ( -0.988 -0.570 2.527) 2.772 22.727 ( 1.469 0.848 1.977) 2.605 22.967 ( -0.431 -0.249 0.919) 1.045 31.387 ( -0.583 -0.337 -1.214) 1.388 31.397 ( 0.706 0.408 -1.485) 1.694 31.582 ( -0.119 -0.069 -1.446) 1.453 40.304 ( 0.306 0.177 -1.997) 2.028 40.308 ( 0.739 0.427 -2.121) 2.286 40.771 ( -0.268 -0.155 0.081) 0.320 41.455 ( -0.640 -0.369 -0.190) 0.763 41.468 ( 0.725 0.419 -0.582) 1.020 41.761 ( -0.513 -0.296 -0.728) 0.938 47.391 ( -2.828 -1.633 3.054) 4.471 47.439 ( 1.945 1.123 2.003) 3.009 47.729 ( 0.600 0.347 -21.196) 21.207 87.574 ( -0.008 -0.005 -0.015) 0.017 87.591 ( 0.053 0.031 0.532) 0.536 87.591 ( 0.084 0.048 0.547) 0.555======================= Grid point 1352 (285/288) =======================q-point: (-0.43 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 744Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( -7.390 -4.267 4.433) 9.616 2.839 ( 7.038 4.063 -0.036) 8.126 3.057 ( 7.603 4.390 9.644) 13.042 3.879 ( 4.818 2.782 -12.120) 13.336 4.199 ( -0.134 -0.077 -1.501) 1.509 4.218 ( 0.192 0.111 -3.268) 3.275 4.519 ( 0.737 0.426 10.415) 10.449 5.675 ( 0.216 0.125 -0.215) 0.330 5.679 ( -0.926 -0.534 -0.977) 1.448 6.188 ( -8.846 -5.107 -0.889) 10.254 6.426 ( -4.791 -2.766 -1.140) 5.648 6.519 ( 0.369 0.213 -4.185) 4.207 6.922 ( -0.656 -0.379 3.630) 3.708 6.991 ( 2.853 1.647 4.698) 5.737 7.048 ( 0.194 0.112 -3.189) 3.197 7.207 ( 5.490 3.170 2.462) 6.801 7.812 ( 0.485 0.280 -0.982) 1.131 7.842 ( 6.194 3.576 1.768) 7.368 8.615 ( -0.445 -0.257 1.102) 1.216 8.631 ( -0.316 -0.182 -0.469) 0.594 9.574 ( -4.261 -2.460 4.192) 6.464 22.739 ( -0.171 -0.098 1.872) 1.882 22.762 ( 1.026 0.592 0.596) 1.326 22.973 ( -0.802 -0.463 0.417) 1.016 31.367 ( -0.336 -0.194 -0.472) 0.611 31.381 ( 0.603 0.348 -1.023) 1.238 31.560 ( -0.225 -0.130 -0.813) 0.854 40.282 ( 0.895 0.517 -1.044) 1.469 40.286 ( 1.240 0.716 -1.202) 1.869 40.768 ( -0.547 -0.316 0.036) 0.632 41.450 ( -0.132 -0.076 0.061) 0.164 41.461 ( 0.340 0.196 -0.689) 0.793 41.743 ( -1.070 -0.618 -0.467) 1.321 47.374 ( -3.195 -1.845 -4.566) 5.871 47.464 ( -0.315 -0.182 -0.026) 0.365 47.501 ( 3.286 1.897 -3.592) 5.225 87.574 ( 0.024 0.014 0.001) 0.028 87.598 ( 0.034 0.020 0.279) 0.282 87.600 ( 0.243 0.140 0.309) 0.417======================= Grid point 1369 (286/288) =======================q-point: (-0.50 0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 742Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.737 ( 0.001 1.000 2.551) 2.740 2.746 ( -0.001 -2.316 0.668) 2.411 3.001 ( 0.000 6.440 10.100) 11.978 3.845 ( 0.000 3.025 -12.914) 13.263 4.199 ( 0.000 -1.386 -1.636) 2.145 4.218 ( 0.000 1.548 -2.868) 3.259 4.514 ( 0.000 0.167 10.870) 10.872 5.672 ( 0.000 -0.990 -0.556) 1.135 5.686 ( 0.000 1.173 -0.555) 1.298 6.261 ( 0.000 -7.477 -1.684) 7.665 6.462 ( 0.000 -3.783 -1.400) 4.034 6.510 ( 0.000 2.146 -3.718) 4.292 6.939 ( -0.000 0.097 3.026) 3.028 6.946 ( 0.000 2.641 3.798) 4.626 7.047 ( 0.000 0.017 -2.536) 2.536 7.176 ( 0.000 2.147 4.162) 4.684 7.780 ( 0.000 -2.000 1.011) 2.241 7.826 ( 0.000 6.403 -0.240) 6.407 8.617 ( 0.000 -1.521 0.683) 1.667 8.635 ( 0.000 1.108 -0.183) 1.123 9.604 ( 0.000 -2.536 4.353) 5.038 22.741 ( 0.000 -0.541 1.583) 1.673 22.754 ( 0.000 1.033 0.916) 1.381 22.978 ( 0.000 -0.497 0.414) 0.647 31.371 ( 0.000 -0.109 -0.616) 0.626 31.375 ( -0.000 0.282 -0.893) 0.936 31.561 ( 0.000 -0.139 -0.814) 0.825 40.277 ( 0.000 0.636 -1.105) 1.275 40.277 ( -0.000 0.640 -1.172) 1.336 40.772 ( 0.000 -0.335 0.051) 0.338 41.451 ( 0.000 -0.461 -0.118) 0.476 41.459 ( 0.000 0.560 -0.507) 0.755 41.751 ( 0.000 -0.651 -0.444) 0.788 47.405 ( -0.000 -4.826 -7.024) 8.522 47.438 ( 0.000 -2.632 2.123) 3.382 47.499 ( -0.000 7.554 -3.488) 8.320 87.574 ( 0.000 0.018 -0.011) 0.021 87.598 ( 0.000 -0.002 0.302) 0.302 87.599 ( -0.000 0.154 0.287) 0.326======================= Grid point 1371 (287/288) =======================q-point: (-0.43 -0.50 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 693Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( -2.728 -4.725 0.000) 5.456 2.803 ( 3.365 5.827 0.000) 6.729 3.143 ( 3.587 6.213 0.000) 7.174 3.741 ( 3.133 5.427 0.000) 6.266 4.183 ( -0.509 -0.881 0.000) 1.017 4.192 ( 0.269 0.466 -0.000) 0.538 4.615 ( 0.133 0.231 0.000) 0.266 5.662 ( -0.911 -1.578 0.000) 1.822 5.680 ( 0.662 1.146 -0.000) 1.323 6.196 ( -4.532 -7.850 0.000) 9.065 6.444 ( -1.465 -2.537 -0.000) 2.930 6.454 ( -0.586 -1.014 0.000) 1.171 6.968 ( -0.104 -0.180 0.000) 0.207 7.016 ( 1.063 1.842 0.000) 2.127 7.022 ( 1.070 1.853 0.000) 2.140 7.226 ( 1.371 2.374 0.000) 2.741 7.793 ( -0.425 -0.737 0.000) 0.851 7.854 ( 3.911 6.774 0.000) 7.822 8.623 ( -0.456 -0.790 0.000) 0.912 8.632 ( 0.175 0.304 0.000) 0.351 9.622 ( -2.252 -3.900 0.000) 4.503 22.760 ( 0.187 0.323 0.000) 0.373 22.761 ( 0.217 0.376 -0.000) 0.435 22.978 ( -0.406 -0.703 0.000) 0.812 31.365 ( -0.027 -0.046 0.000) 0.053 31.368 ( 0.175 0.303 0.000) 0.350 31.553 ( -0.115 -0.199 0.000) 0.230 40.271 ( 0.495 0.857 0.000) 0.990 40.273 ( 0.605 1.048 0.000) 1.210 40.770 ( -0.289 -0.501 0.000) 0.579 41.451 ( -0.017 -0.030 -0.000) 0.034 41.453 ( 0.114 0.197 0.000) 0.227 41.742 ( -0.558 -0.967 0.000) 1.116 47.312 ( -1.477 -2.559 0.000) 2.955 47.456 ( -0.718 -1.244 -0.000) 1.436 47.499 ( 2.287 3.961 0.000) 4.573 87.574 ( 0.020 0.035 0.000) 0.040 87.601 ( 0.014 0.024 0.000) 0.028 87.602 ( 0.122 0.212 0.000) 0.244======================= Grid point 1593 (288/288) =======================q-point: (-0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 0.000 -0.000 0.000) 0.000 2.756 ( 0.000 -0.000 0.000) 0.000 3.089 ( 0.000 -0.000 0.000) 0.000 3.697 ( 0.000 -0.000 0.000) 0.000 4.189 ( 0.000 -0.000 0.000) 0.000 4.189 ( 0.000 -0.000 0.000) 0.000 4.614 ( 0.000 -0.000 0.000) 0.000 5.672 ( 0.000 -0.000 0.000) 0.000 5.672 ( 0.000 -0.000 0.000) 0.000 6.269 ( 0.000 -0.000 0.000) 0.000 6.463 ( 0.000 -0.000 0.000) 0.000 6.463 ( 0.000 -0.000 0.000) 0.000 6.969 ( 0.000 -0.000 0.000) 0.000 6.969 ( 0.000 -0.000 0.000) 0.000 7.025 ( 0.000 -0.000 0.000) 0.000 7.216 ( 0.000 -0.000 0.000) 0.000 7.798 ( 0.000 -0.000 0.000) 0.000 7.798 ( 0.000 -0.000 0.000) 0.000 8.629 ( 0.000 -0.000 0.000) 0.000 8.629 ( 0.000 -0.000 0.000) 0.000 9.653 ( 0.000 -0.000 0.000) 0.000 22.758 ( 0.000 -0.000 0.000) 0.000 22.758 ( 0.000 -0.000 0.000) 0.000 22.984 ( 0.000 -0.000 0.000) 0.000 31.366 ( 0.000 -0.000 0.000) 0.000 31.366 ( 0.000 -0.000 0.000) 0.000 31.554 ( 0.000 -0.000 0.000) 0.000 40.264 ( 0.000 -0.000 0.000) 0.000 40.264 ( 0.000 -0.000 0.000) 0.000 40.774 ( 0.000 -0.000 0.000) 0.000 41.452 ( 0.000 -0.000 0.000) 0.000 41.452 ( 0.000 -0.000 0.000) 0.000 41.749 ( 0.000 -0.000 0.000) 0.000 47.332 ( 0.000 -0.000 0.000) 0.000 47.467 ( 0.000 -0.000 0.000) 0.000 47.467 ( 0.000 -0.000 0.000) 0.000 87.574 ( 0.000 -0.000 0.000) 0.000 87.601 ( 0.000 -0.000 0.000) 0.000 87.601 ( 0.000 -0.000 0.000) 0.000=================== 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 3/107016 10.0 179.529 179.529 136.975 0.000 -0.000 -0.000 3/107016 20.0 70.629 70.629 83.866 0.000 -0.000 -0.000 3/107016 30.0 32.738 32.738 42.804 0.000 -0.000 -0.000 3/107016 40.0 17.659 17.659 24.580 0.000 -0.000 -0.000 3/107016 50.0 10.949 10.949 16.065 0.000 -0.000 -0.000 3/107016 60.0 7.585 7.585 11.570 0.000 -0.000 -0.000 3/107016 70.0 5.704 5.704 8.938 0.000 -0.000 -0.000 3/107016 80.0 4.551 4.551 7.260 0.000 -0.000 -0.000 3/107016 90.0 3.789 3.789 6.117 0.000 -0.000 -0.000 3/107016 100.0 3.254 3.254 5.293 0.000 -0.000 -0.000 3/107016 110.0 2.859 2.859 4.674 0.000 -0.000 -0.000 3/107016 120.0 2.555 2.555 4.192 0.000 -0.000 -0.000 3/107016 130.0 2.315 2.315 3.805 0.000 -0.000 -0.000 3/107016 140.0 2.119 2.119 3.488 0.000 -0.000 -0.000 3/107016 150.0 1.956 1.956 3.223 0.000 -0.000 -0.000 3/107016 160.0 1.818 1.818 2.997 0.000 -0.000 -0.000 3/107016 170.0 1.699 1.699 2.803 0.000 -0.000 -0.000 3/107016 180.0 1.596 1.596 2.634 0.000 -0.000 -0.000 3/107016 190.0 1.506 1.506 2.485 0.000 -0.000 -0.000 3/107016 200.0 1.426 1.426 2.353 0.000 -0.000 -0.000 3/107016 210.0 1.354 1.354 2.236 0.000 -0.000 -0.000 3/107016 220.0 1.290 1.290 2.130 0.000 -0.000 -0.000 3/107016 230.0 1.231 1.231 2.034 0.000 -0.000 -0.000 3/107016 240.0 1.178 1.178 1.947 0.000 -0.000 -0.000 3/107016 250.0 1.130 1.130 1.868 0.000 -0.000 -0.000 3/107016 260.0 1.086 1.086 1.795 0.000 -0.000 -0.000 3/107016 270.0 1.045 1.045 1.729 0.000 -0.000 -0.000 3/107016 280.0 1.008 1.008 1.667 0.000 -0.000 -0.000 3/107016 290.0 0.973 0.973 1.611 0.000 -0.000 -0.000 3/107016 300.0 0.941 0.941 1.558 0.000 -0.000 -0.000 3/107016 310.0 0.911 0.911 1.509 0.000 -0.000 -0.000 3/107016 320.0 0.883 0.883 1.464 0.000 -0.000 -0.000 3/107016 330.0 0.857 0.857 1.422 0.000 -0.000 -0.000 3/107016 340.0 0.832 0.832 1.383 0.000 -0.000 -0.000 3/107016 350.0 0.809 0.809 1.346 0.000 -0.000 -0.000 3/107016 360.0 0.788 0.788 1.311 0.000 -0.000 -0.000 3/107016 370.0 0.767 0.767 1.279 0.000 -0.000 -0.000 3/107016 380.0 0.748 0.748 1.249 0.000 -0.000 -0.000 3/107016 390.0 0.730 0.730 1.220 0.000 -0.000 -0.000 3/107016 400.0 0.713 0.713 1.193 0.000 -0.000 -0.000 3/107016 410.0 0.697 0.697 1.167 0.000 -0.000 -0.000 3/107016 420.0 0.682 0.682 1.143 0.000 -0.000 -0.000 3/107016 430.0 0.667 0.667 1.121 0.000 -0.000 -0.000 3/107016 440.0 0.653 0.653 1.099 0.000 -0.000 -0.000 3/107016 450.0 0.640 0.640 1.078 0.000 -0.000 -0.000 3/107016 460.0 0.628 0.628 1.059 0.000 -0.000 -0.000 3/107016 470.0 0.616 0.616 1.040 0.000 -0.000 -0.000 3/107016 480.0 0.604 0.604 1.022 0.000 -0.000 -0.000 3/107016 490.0 0.593 0.593 1.005 0.000 -0.000 -0.000 3/107016 500.0 0.583 0.583 0.989 0.000 -0.000 -0.000 3/107016 510.0 0.573 0.573 0.973 0.000 -0.000 -0.000 3/107016 520.0 0.563 0.563 0.958 0.000 -0.000 -0.000 3/107016 530.0 0.554 0.554 0.944 0.000 -0.000 -0.000 3/107016 540.0 0.545 0.545 0.930 0.000 -0.000 -0.000 3/107016 550.0 0.536 0.536 0.917 0.000 -0.000 -0.000 3/107016 560.0 0.528 0.528 0.904 0.000 -0.000 -0.000 3/107016 570.0 0.520 0.520 0.891 0.000 -0.000 -0.000 3/107016 580.0 0.512 0.512 0.879 0.000 -0.000 -0.000 3/107016 590.0 0.504 0.504 0.868 0.000 -0.000 -0.000 3/107016 600.0 0.497 0.497 0.857 0.000 -0.000 -0.000 3/107016 610.0 0.490 0.490 0.846 0.000 -0.000 -0.000 3/107016 620.0 0.483 0.483 0.835 0.000 -0.000 -0.000 3/107016 630.0 0.477 0.477 0.825 0.000 -0.000 -0.000 3/107016 640.0 0.470 0.470 0.815 0.000 -0.000 -0.000 3/107016 650.0 0.464 0.464 0.805 0.000 -0.000 -0.000 3/107016 660.0 0.458 0.458 0.796 0.000 -0.000 -0.000 3/107016 670.0 0.452 0.452 0.787 0.000 -0.000 -0.000 3/107016 680.0 0.447 0.447 0.778 0.000 -0.000 -0.000 3/107016 690.0 0.441 0.441 0.769 0.000 -0.000 -0.000 3/107016 700.0 0.436 0.436 0.761 0.000 -0.000 -0.000 3/107016 710.0 0.430 0.430 0.753 0.000 -0.000 -0.000 3/107016 720.0 0.425 0.425 0.745 0.000 -0.000 -0.000 3/107016 730.0 0.420 0.420 0.737 0.000 -0.000 -0.000 3/107016 740.0 0.416 0.416 0.729 0.000 -0.000 -0.000 3/107016 750.0 0.411 0.411 0.722 0.000 -0.000 -0.000 3/107016 760.0 0.406 0.406 0.715 0.000 -0.000 -0.000 3/107016 770.0 0.402 0.402 0.707 0.000 -0.000 -0.000 3/107016 780.0 0.397 0.397 0.700 0.000 -0.000 -0.000 3/107016 790.0 0.393 0.393 0.693 0.000 -0.000 -0.000 3/107016 800.0 0.389 0.389 0.687 0.000 -0.000 -0.000 3/107016 810.0 0.385 0.385 0.680 0.000 -0.000 -0.000 3/107016 820.0 0.381 0.381 0.674 0.000 -0.000 -0.000 3/107016 830.0 0.377 0.377 0.667 0.000 -0.000 -0.000 3/107016 840.0 0.373 0.373 0.661 0.000 -0.000 -0.000 3/107016 850.0 0.369 0.369 0.655 0.000 -0.000 -0.000 3/107016 860.0 0.365 0.365 0.649 0.000 -0.000 -0.000 3/107016 870.0 0.362 0.362 0.643 0.000 -0.000 -0.000 3/107016 880.0 0.358 0.358 0.637 0.000 -0.000 -0.000 3/107016 890.0 0.355 0.355 0.632 0.000 -0.000 -0.000 3/107016 900.0 0.351 0.351 0.626 0.000 -0.000 -0.000 3/107016 910.0 0.348 0.348 0.621 0.000 -0.000 -0.000 3/107016 920.0 0.344 0.344 0.615 0.000 -0.000 -0.000 3/107016 930.0 0.341 0.341 0.610 0.000 -0.000 -0.000 3/107016 940.0 0.338 0.338 0.605 0.000 -0.000 -0.000 3/107016 950.0 0.335 0.335 0.600 0.000 -0.000 -0.000 3/107016 960.0 0.332 0.332 0.595 0.000 -0.000 -0.000 3/107016 970.0 0.329 0.329 0.590 0.000 -0.000 -0.000 3/107016 980.0 0.326 0.326 0.585 0.000 -0.000 -0.000 3/107016 990.0 0.323 0.323 0.580 0.000 -0.000 -0.000 3/107016 1000.0 0.320 0.320 0.576 0.000 -0.000 -0.000 3/107016Thermal conductivity related properties were written into "kappa-m141414.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:45:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|