----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.572088400548640 0.000000000000000 0.000000000000000 b 0.000000000000000 6.830706610000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): *1 Y 0.36057578688560 0.64106974246809 0.67639531604347 88.906 2 Y 0.63942421311440 0.14106974246809 0.82360468395653 88.906 3 Y 0.63942421311440 0.35893025753191 0.32360468395653 88.906 4 Y 0.36057578688560 0.85893025753191 0.17639531604347 88.906 *5 Se 0.85491700697730 0.88324362176080 0.29206805745447 78.960 6 Se 0.14508299302270 0.11675637823920 0.70793194254553 78.960 7 Se 0.85491700697730 0.61675637823920 0.79206805745447 78.960 8 Se 0.14508299302270 0.38324362176080 0.20793194254553 78.960 *9 O 0.32532299154343 0.96453148694020 0.85168261708586 15.999 *10 O 0.98735211761725 0.31033033981479 0.36237792751065 15.999 11 O 0.67467700845657 0.03546851305980 0.14831738291414 15.999 *12 O 0.32444043209753 0.30434959316471 0.71593925383981 15.999 13 O 0.67555956790247 0.80434959316471 0.78406074616019 15.999 14 O 0.01264788238275 0.81033033981479 0.13762207248935 15.999 15 O 0.32532299154343 0.53546851305980 0.35168261708586 15.999 16 O 0.67555956790247 0.69565040683529 0.28406074616019 15.999 17 O 0.67467700845657 0.46453148694020 0.64831738291414 15.999 18 O 0.01264788238275 0.68966966018521 0.63762207248935 15.999 19 O 0.32444043209753 0.19565040683529 0.21593925383981 15.999 20 O 0.98735211761725 0.18966966018521 0.86237792751065 15.999 *21 F 0.67222676768315 0.11065711937406 0.52353818122811 18.998 22 F 0.67222676768315 0.38934288062594 0.02353818122811 18.998 23 F 0.32777323231685 0.61065711937406 0.97646181877189 18.998 24 F 0.32777323231685 0.88934288062594 0.47646181877189 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.572088400548640 0.000000000000000 0.000000000000000 b 0.000000000000000 6.830706610000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): *1 Y 0.36057578688560 0.64106974246809 0.67639531604347 88.906 > 1 2 Y 0.63942421311440 0.14106974246809 0.82360468395653 88.906 > 2 3 Y 0.63942421311440 0.35893025753191 0.32360468395653 88.906 > 3 4 Y 0.36057578688560 0.85893025753191 0.17639531604347 88.906 > 4 *5 Se 0.85491700697730 0.88324362176080 0.29206805745447 78.960 > 5 6 Se 0.14508299302270 0.11675637823920 0.70793194254553 78.960 > 6 7 Se 0.85491700697730 0.61675637823920 0.79206805745447 78.960 > 7 8 Se 0.14508299302270 0.38324362176080 0.20793194254553 78.960 > 8 *9 O 0.32532299154343 0.96453148694020 0.85168261708586 15.999 > 9 *10 O 0.98735211761725 0.31033033981479 0.36237792751065 15.999 > 10 11 O 0.67467700845657 0.03546851305980 0.14831738291414 15.999 > 11 *12 O 0.32444043209753 0.30434959316471 0.71593925383981 15.999 > 12 13 O 0.67555956790247 0.80434959316471 0.78406074616019 15.999 > 13 14 O 0.01264788238275 0.81033033981479 0.13762207248935 15.999 > 14 15 O 0.32532299154343 0.53546851305980 0.35168261708586 15.999 > 15 16 O 0.67555956790247 0.69565040683529 0.28406074616019 15.999 > 16 17 O 0.67467700845657 0.46453148694020 0.64831738291414 15.999 > 17 18 O 0.01264788238275 0.68966966018521 0.63762207248935 15.999 > 18 19 O 0.32444043209753 0.19565040683529 0.21593925383981 15.999 > 19 20 O 0.98735211761725 0.18966966018521 0.86237792751065 15.999 > 20 *21 F 0.67222676768315 0.11065711937406 0.52353818122811 18.998 > 21 22 F 0.67222676768315 0.38934288062594 0.02353818122811 18.998 > 22 23 F 0.32777323231685 0.61065711937406 0.97646181877189 18.998 > 23 24 F 0.32777323231685 0.88934288062594 0.47646181877189 18.998 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.144176801097281 0.000000000000000 0.000000000000000 b 0.000000000000000 13.661413220000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): *1 Y 0.18028789344280 0.32053487123405 0.67639531604347 88.906 > 1 2 Y 0.68028789344280 0.32053487123405 0.67639531604347 88.906 > 1 3 Y 0.18028789344280 0.82053487123405 0.67639531604347 88.906 > 1 4 Y 0.68028789344280 0.82053487123405 0.67639531604347 88.906 > 1 5 Y 0.31971210655720 0.07053487123405 0.82360468395653 88.906 > 2 6 Y 0.81971210655720 0.07053487123405 0.82360468395653 88.906 > 2 7 Y 0.31971210655720 0.57053487123405 0.82360468395653 88.906 > 2 8 Y 0.81971210655720 0.57053487123405 0.82360468395653 88.906 > 2 9 Y 0.31971210655720 0.17946512876595 0.32360468395653 88.906 > 3 10 Y 0.81971210655720 0.17946512876595 0.32360468395653 88.906 > 3 11 Y 0.31971210655720 0.67946512876595 0.32360468395653 88.906 > 3 12 Y 0.81971210655720 0.67946512876595 0.32360468395653 88.906 > 3 13 Y 0.18028789344280 0.42946512876595 0.17639531604347 88.906 > 4 14 Y 0.68028789344280 0.42946512876595 0.17639531604347 88.906 > 4 15 Y 0.18028789344280 0.92946512876595 0.17639531604347 88.906 > 4 16 Y 0.68028789344280 0.92946512876595 0.17639531604347 88.906 > 4 *17 Se 0.42745850348865 0.44162181088040 0.29206805745447 78.960 > 5 18 Se 0.92745850348865 0.44162181088040 0.29206805745447 78.960 > 5 19 Se 0.42745850348865 0.94162181088040 0.29206805745447 78.960 > 5 20 Se 0.92745850348865 0.94162181088040 0.29206805745447 78.960 > 5 21 Se 0.07254149651135 0.05837818911960 0.70793194254553 78.960 > 6 22 Se 0.57254149651135 0.05837818911960 0.70793194254553 78.960 > 6 23 Se 0.07254149651135 0.55837818911960 0.70793194254553 78.960 > 6 24 Se 0.57254149651135 0.55837818911960 0.70793194254553 78.960 > 6 25 Se 0.42745850348865 0.30837818911960 0.79206805745447 78.960 > 7 26 Se 0.92745850348865 0.30837818911960 0.79206805745447 78.960 > 7 27 Se 0.42745850348865 0.80837818911960 0.79206805745447 78.960 > 7 28 Se 0.92745850348865 0.80837818911960 0.79206805745447 78.960 > 7 29 Se 0.07254149651135 0.19162181088040 0.20793194254553 78.960 > 8 30 Se 0.57254149651135 0.19162181088040 0.20793194254553 78.960 > 8 31 Se 0.07254149651135 0.69162181088040 0.20793194254553 78.960 > 8 32 Se 0.57254149651135 0.69162181088040 0.20793194254553 78.960 > 8 *33 O 0.16266149577171 0.48226574347010 0.85168261708586 15.999 > 9 34 O 0.66266149577171 0.48226574347010 0.85168261708586 15.999 > 9 35 O 0.16266149577171 0.98226574347010 0.85168261708586 15.999 > 9 36 O 0.66266149577171 0.98226574347010 0.85168261708586 15.999 > 9 *37 O 0.49367605880862 0.15516516990739 0.36237792751065 15.999 > 10 38 O 0.99367605880862 0.15516516990739 0.36237792751065 15.999 > 10 39 O 0.49367605880862 0.65516516990739 0.36237792751065 15.999 > 10 40 O 0.99367605880862 0.65516516990739 0.36237792751065 15.999 > 10 41 O 0.33733850422829 0.01773425652990 0.14831738291414 15.999 > 11 42 O 0.83733850422829 0.01773425652990 0.14831738291414 15.999 > 11 43 O 0.33733850422829 0.51773425652990 0.14831738291414 15.999 > 11 44 O 0.83733850422829 0.51773425652990 0.14831738291414 15.999 > 11 *45 O 0.16222021604876 0.15217479658235 0.71593925383981 15.999 > 12 46 O 0.66222021604876 0.15217479658235 0.71593925383981 15.999 > 12 47 O 0.16222021604876 0.65217479658235 0.71593925383981 15.999 > 12 48 O 0.66222021604876 0.65217479658235 0.71593925383981 15.999 > 12 49 O 0.33777978395124 0.40217479658235 0.78406074616019 15.999 > 13 50 O 0.83777978395124 0.40217479658235 0.78406074616019 15.999 > 13 51 O 0.33777978395124 0.90217479658235 0.78406074616019 15.999 > 13 52 O 0.83777978395124 0.90217479658235 0.78406074616019 15.999 > 13 53 O 0.00632394119138 0.40516516990739 0.13762207248935 15.999 > 14 54 O 0.50632394119138 0.40516516990739 0.13762207248935 15.999 > 14 55 O 0.00632394119138 0.90516516990739 0.13762207248935 15.999 > 14 56 O 0.50632394119138 0.90516516990739 0.13762207248935 15.999 > 14 57 O 0.16266149577171 0.26773425652990 0.35168261708586 15.999 > 15 58 O 0.66266149577171 0.26773425652990 0.35168261708586 15.999 > 15 59 O 0.16266149577171 0.76773425652990 0.35168261708586 15.999 > 15 60 O 0.66266149577171 0.76773425652990 0.35168261708586 15.999 > 15 61 O 0.33777978395124 0.34782520341765 0.28406074616019 15.999 > 16 62 O 0.83777978395124 0.34782520341765 0.28406074616019 15.999 > 16 63 O 0.33777978395124 0.84782520341765 0.28406074616019 15.999 > 16 64 O 0.83777978395124 0.84782520341765 0.28406074616019 15.999 > 16 65 O 0.33733850422829 0.23226574347010 0.64831738291414 15.999 > 17 66 O 0.83733850422829 0.23226574347010 0.64831738291414 15.999 > 17 67 O 0.33733850422829 0.73226574347010 0.64831738291414 15.999 > 17 68 O 0.83733850422829 0.73226574347010 0.64831738291414 15.999 > 17 69 O 0.00632394119138 0.34483483009261 0.63762207248935 15.999 > 18 70 O 0.50632394119138 0.34483483009261 0.63762207248935 15.999 > 18 71 O 0.00632394119138 0.84483483009261 0.63762207248935 15.999 > 18 72 O 0.50632394119138 0.84483483009261 0.63762207248935 15.999 > 18 73 O 0.16222021604876 0.09782520341765 0.21593925383981 15.999 > 19 74 O 0.66222021604876 0.09782520341765 0.21593925383981 15.999 > 19 75 O 0.16222021604876 0.59782520341765 0.21593925383981 15.999 > 19 76 O 0.66222021604876 0.59782520341765 0.21593925383981 15.999 > 19 77 O 0.49367605880862 0.09483483009261 0.86237792751065 15.999 > 20 78 O 0.99367605880862 0.09483483009261 0.86237792751065 15.999 > 20 79 O 0.49367605880862 0.59483483009261 0.86237792751065 15.999 > 20 80 O 0.99367605880862 0.59483483009261 0.86237792751065 15.999 > 20 *81 F 0.33611338384157 0.05532855968703 0.52353818122811 18.998 > 21 82 F 0.83611338384157 0.05532855968703 0.52353818122811 18.998 > 21 83 F 0.33611338384157 0.55532855968703 0.52353818122811 18.998 > 21 84 F 0.83611338384157 0.55532855968703 0.52353818122811 18.998 > 21 85 F 0.33611338384157 0.19467144031297 0.02353818122811 18.998 > 22 86 F 0.83611338384157 0.19467144031297 0.02353818122811 18.998 > 22 87 F 0.33611338384157 0.69467144031297 0.02353818122811 18.998 > 22 88 F 0.83611338384157 0.69467144031297 0.02353818122811 18.998 > 22 89 F 0.16388661615843 0.30532855968703 0.97646181877189 18.998 > 23 90 F 0.66388661615843 0.30532855968703 0.97646181877189 18.998 > 23 91 F 0.16388661615843 0.80532855968703 0.97646181877189 18.998 > 23 92 F 0.66388661615843 0.80532855968703 0.97646181877189 18.998 > 23 93 F 0.16388661615843 0.44467144031297 0.47646181877189 18.998 > 24 94 F 0.66388661615843 0.44467144031297 0.47646181877189 18.998 > 24 95 F 0.16388661615843 0.94467144031297 0.47646181877189 18.998 > 24 96 F 0.66388661615843 0.94467144031297 0.47646181877189 18.998 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0623431 0.0000000 -0.1062454 0.0000000 3.7700569 0.0000000 -0.1062449 0.0000000 3.4921703 -------------------------- Born effective charges -------------------------- 1 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 2 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 3 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 4 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 5 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 6 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 7 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 8 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 9 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 10 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 11 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 12 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 13 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 14 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 15 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 16 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 17 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 18 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 19 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 20 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 21 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 22 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 23 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 24 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.736 Solver_block: 200 / 720 - Time: 0.818 Solver_block: 300 / 720 - Time: 0.748 Solver_block: 400 / 720 - Time: 0.751 Solver_block: 500 / 720 - Time: 0.660 Solver_block: 600 / 720 - Time: 0.706 Solver_block: 700 / 720 - Time: 0.734 Solver_block: 720 / 720 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.763 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 67), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:27:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.572088400548640 0.000000000000000 0.000000000000000 b 0.000000000000000 6.830706610000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): 1 Y 0.36057578688560 0.64106974246809 0.67639531604347 88.906 2 Y 0.63942421311440 0.14106974246809 0.82360468395653 88.906 3 Y 0.63942421311440 0.35893025753191 0.32360468395653 88.906 4 Y 0.36057578688560 0.85893025753191 0.17639531604347 88.906 5 Se 0.85491700697730 0.88324362176080 0.29206805745447 78.960 6 Se 0.14508299302270 0.11675637823920 0.70793194254553 78.960 7 Se 0.85491700697730 0.61675637823920 0.79206805745447 78.960 8 Se 0.14508299302270 0.38324362176080 0.20793194254553 78.960 9 O 0.32532299154343 0.96453148694020 0.85168261708586 15.999 10 O 0.98735211761725 0.31033033981479 0.36237792751065 15.999 11 O 0.67467700845657 0.03546851305980 0.14831738291414 15.999 12 O 0.32444043209753 0.30434959316471 0.71593925383981 15.999 13 O 0.67555956790247 0.80434959316471 0.78406074616019 15.999 14 O 0.01264788238275 0.81033033981479 0.13762207248935 15.999 15 O 0.32532299154343 0.53546851305980 0.35168261708586 15.999 16 O 0.67555956790247 0.69565040683529 0.28406074616019 15.999 17 O 0.67467700845657 0.46453148694020 0.64831738291414 15.999 18 O 0.01264788238275 0.68966966018521 0.63762207248935 15.999 19 O 0.32444043209753 0.19565040683529 0.21593925383981 15.999 20 O 0.98735211761725 0.18966966018521 0.86237792751065 15.999 21 F 0.67222676768315 0.11065711937406 0.52353818122811 18.998 22 F 0.67222676768315 0.38934288062594 0.02353818122811 18.998 23 F 0.32777323231685 0.61065711937406 0.97646181877189 18.998 24 F 0.32777323231685 0.88934288062594 0.47646181877189 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.144176801097281 0.000000000000000 0.000000000000000 b 0.000000000000000 13.661413220000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): 1 Y 0.18028789344280 0.32053487123405 0.67639531604347 88.906 > 1 2 Y 0.68028789344280 0.32053487123405 0.67639531604347 88.906 > 1 3 Y 0.18028789344280 0.82053487123405 0.67639531604347 88.906 > 1 4 Y 0.68028789344280 0.82053487123405 0.67639531604347 88.906 > 1 5 Y 0.31971210655720 0.07053487123405 0.82360468395653 88.906 > 5 6 Y 0.81971210655720 0.07053487123405 0.82360468395653 88.906 > 5 7 Y 0.31971210655720 0.57053487123405 0.82360468395653 88.906 > 5 8 Y 0.81971210655720 0.57053487123405 0.82360468395653 88.906 > 5 9 Y 0.31971210655720 0.17946512876595 0.32360468395653 88.906 > 9 10 Y 0.81971210655720 0.17946512876595 0.32360468395653 88.906 > 9 11 Y 0.31971210655720 0.67946512876595 0.32360468395653 88.906 > 9 12 Y 0.81971210655720 0.67946512876595 0.32360468395653 88.906 > 9 13 Y 0.18028789344280 0.42946512876595 0.17639531604347 88.906 > 13 14 Y 0.68028789344280 0.42946512876595 0.17639531604347 88.906 > 13 15 Y 0.18028789344280 0.92946512876595 0.17639531604347 88.906 > 13 16 Y 0.68028789344280 0.92946512876595 0.17639531604347 88.906 > 13 17 Se 0.42745850348865 0.44162181088040 0.29206805745447 78.960 > 17 18 Se 0.92745850348865 0.44162181088040 0.29206805745447 78.960 > 17 19 Se 0.42745850348865 0.94162181088040 0.29206805745447 78.960 > 17 20 Se 0.92745850348865 0.94162181088040 0.29206805745447 78.960 > 17 21 Se 0.07254149651135 0.05837818911960 0.70793194254553 78.960 > 21 22 Se 0.57254149651135 0.05837818911960 0.70793194254553 78.960 > 21 23 Se 0.07254149651135 0.55837818911960 0.70793194254553 78.960 > 21 24 Se 0.57254149651135 0.55837818911960 0.70793194254553 78.960 > 21 25 Se 0.42745850348865 0.30837818911960 0.79206805745447 78.960 > 25 26 Se 0.92745850348865 0.30837818911960 0.79206805745447 78.960 > 25 27 Se 0.42745850348865 0.80837818911960 0.79206805745447 78.960 > 25 28 Se 0.92745850348865 0.80837818911960 0.79206805745447 78.960 > 25 29 Se 0.07254149651135 0.19162181088040 0.20793194254553 78.960 > 29 30 Se 0.57254149651135 0.19162181088040 0.20793194254553 78.960 > 29 31 Se 0.07254149651135 0.69162181088040 0.20793194254553 78.960 > 29 32 Se 0.57254149651135 0.69162181088040 0.20793194254553 78.960 > 29 33 O 0.16266149577171 0.48226574347010 0.85168261708586 15.999 > 33 34 O 0.66266149577171 0.48226574347010 0.85168261708586 15.999 > 33 35 O 0.16266149577171 0.98226574347010 0.85168261708586 15.999 > 33 36 O 0.66266149577171 0.98226574347010 0.85168261708586 15.999 > 33 37 O 0.49367605880862 0.15516516990739 0.36237792751065 15.999 > 37 38 O 0.99367605880862 0.15516516990739 0.36237792751065 15.999 > 37 39 O 0.49367605880862 0.65516516990739 0.36237792751065 15.999 > 37 40 O 0.99367605880862 0.65516516990739 0.36237792751065 15.999 > 37 41 O 0.33733850422829 0.01773425652990 0.14831738291414 15.999 > 41 42 O 0.83733850422829 0.01773425652990 0.14831738291414 15.999 > 41 43 O 0.33733850422829 0.51773425652990 0.14831738291414 15.999 > 41 44 O 0.83733850422829 0.51773425652990 0.14831738291414 15.999 > 41 45 O 0.16222021604876 0.15217479658235 0.71593925383981 15.999 > 45 46 O 0.66222021604876 0.15217479658235 0.71593925383981 15.999 > 45 47 O 0.16222021604876 0.65217479658235 0.71593925383981 15.999 > 45 48 O 0.66222021604876 0.65217479658235 0.71593925383981 15.999 > 45 49 O 0.33777978395124 0.40217479658235 0.78406074616019 15.999 > 49 50 O 0.83777978395124 0.40217479658235 0.78406074616019 15.999 > 49 51 O 0.33777978395124 0.90217479658235 0.78406074616019 15.999 > 49 52 O 0.83777978395124 0.90217479658235 0.78406074616019 15.999 > 49 53 O 0.00632394119138 0.40516516990739 0.13762207248935 15.999 > 53 54 O 0.50632394119138 0.40516516990739 0.13762207248935 15.999 > 53 55 O 0.00632394119138 0.90516516990739 0.13762207248935 15.999 > 53 56 O 0.50632394119138 0.90516516990739 0.13762207248935 15.999 > 53 57 O 0.16266149577171 0.26773425652990 0.35168261708586 15.999 > 57 58 O 0.66266149577171 0.26773425652990 0.35168261708586 15.999 > 57 59 O 0.16266149577171 0.76773425652990 0.35168261708586 15.999 > 57 60 O 0.66266149577171 0.76773425652990 0.35168261708586 15.999 > 57 61 O 0.33777978395124 0.34782520341765 0.28406074616019 15.999 > 61 62 O 0.83777978395124 0.34782520341765 0.28406074616019 15.999 > 61 63 O 0.33777978395124 0.84782520341765 0.28406074616019 15.999 > 61 64 O 0.83777978395124 0.84782520341765 0.28406074616019 15.999 > 61 65 O 0.33733850422829 0.23226574347010 0.64831738291414 15.999 > 65 66 O 0.83733850422829 0.23226574347010 0.64831738291414 15.999 > 65 67 O 0.33733850422829 0.73226574347010 0.64831738291414 15.999 > 65 68 O 0.83733850422829 0.73226574347010 0.64831738291414 15.999 > 65 69 O 0.00632394119138 0.34483483009261 0.63762207248935 15.999 > 69 70 O 0.50632394119138 0.34483483009261 0.63762207248935 15.999 > 69 71 O 0.00632394119138 0.84483483009261 0.63762207248935 15.999 > 69 72 O 0.50632394119138 0.84483483009261 0.63762207248935 15.999 > 69 73 O 0.16222021604876 0.09782520341765 0.21593925383981 15.999 > 73 74 O 0.66222021604876 0.09782520341765 0.21593925383981 15.999 > 73 75 O 0.16222021604876 0.59782520341765 0.21593925383981 15.999 > 73 76 O 0.66222021604876 0.59782520341765 0.21593925383981 15.999 > 73 77 O 0.49367605880862 0.09483483009261 0.86237792751065 15.999 > 77 78 O 0.99367605880862 0.09483483009261 0.86237792751065 15.999 > 77 79 O 0.49367605880862 0.59483483009261 0.86237792751065 15.999 > 77 80 O 0.99367605880862 0.59483483009261 0.86237792751065 15.999 > 77 81 F 0.33611338384157 0.05532855968703 0.52353818122811 18.998 > 81 82 F 0.83611338384157 0.05532855968703 0.52353818122811 18.998 > 81 83 F 0.33611338384157 0.55532855968703 0.52353818122811 18.998 > 81 84 F 0.83611338384157 0.55532855968703 0.52353818122811 18.998 > 81 85 F 0.33611338384157 0.19467144031297 0.02353818122811 18.998 > 85 86 F 0.83611338384157 0.19467144031297 0.02353818122811 18.998 > 85 87 F 0.33611338384157 0.69467144031297 0.02353818122811 18.998 > 85 88 F 0.83611338384157 0.69467144031297 0.02353818122811 18.998 > 85 89 F 0.16388661615843 0.30532855968703 0.97646181877189 18.998 > 89 90 F 0.66388661615843 0.30532855968703 0.97646181877189 18.998 > 89 91 F 0.16388661615843 0.80532855968703 0.97646181877189 18.998 > 89 92 F 0.66388661615843 0.80532855968703 0.97646181877189 18.998 > 89 93 F 0.16388661615843 0.44467144031297 0.47646181877189 18.998 > 93 94 F 0.66388661615843 0.44467144031297 0.47646181877189 18.998 > 93 95 F 0.16388661615843 0.94467144031297 0.47646181877189 18.998 > 93 96 F 0.66388661615843 0.94467144031297 0.47646181877189 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0623431 0.0000000 -0.1062454 0.0000000 3.7700569 0.0000000 -0.1062449 0.0000000 3.4921703 -------------------------- Born effective charges -------------------------- 1 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 2 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 3 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 4 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 5 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 6 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 7 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 8 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 9 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 10 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 11 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 12 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 13 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 14 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 15 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 16 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 17 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 18 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 19 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 20 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 21 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 22 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 23 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 24 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:27:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:27:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.572088400548640 0.000000000000000 0.000000000000000 b 0.000000000000000 6.830706610000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): 1 Y 0.36057578688560 0.64106974246809 0.67639531604347 88.906 2 Y 0.63942421311440 0.14106974246809 0.82360468395653 88.906 3 Y 0.63942421311440 0.35893025753191 0.32360468395653 88.906 4 Y 0.36057578688560 0.85893025753191 0.17639531604347 88.906 5 Se 0.85491700697730 0.88324362176080 0.29206805745447 78.960 6 Se 0.14508299302270 0.11675637823920 0.70793194254553 78.960 7 Se 0.85491700697730 0.61675637823920 0.79206805745447 78.960 8 Se 0.14508299302270 0.38324362176080 0.20793194254553 78.960 9 O 0.32532299154343 0.96453148694020 0.85168261708586 15.999 10 O 0.98735211761725 0.31033033981479 0.36237792751065 15.999 11 O 0.67467700845657 0.03546851305980 0.14831738291414 15.999 12 O 0.32444043209753 0.30434959316471 0.71593925383981 15.999 13 O 0.67555956790247 0.80434959316471 0.78406074616019 15.999 14 O 0.01264788238275 0.81033033981479 0.13762207248935 15.999 15 O 0.32532299154343 0.53546851305980 0.35168261708586 15.999 16 O 0.67555956790247 0.69565040683529 0.28406074616019 15.999 17 O 0.67467700845657 0.46453148694020 0.64831738291414 15.999 18 O 0.01264788238275 0.68966966018521 0.63762207248935 15.999 19 O 0.32444043209753 0.19565040683529 0.21593925383981 15.999 20 O 0.98735211761725 0.18966966018521 0.86237792751065 15.999 21 F 0.67222676768315 0.11065711937406 0.52353818122811 18.998 22 F 0.67222676768315 0.38934288062594 0.02353818122811 18.998 23 F 0.32777323231685 0.61065711937406 0.97646181877189 18.998 24 F 0.32777323231685 0.88934288062594 0.47646181877189 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.144176801097281 0.000000000000000 0.000000000000000 b 0.000000000000000 13.661413220000000 0.000000000000000 c -1.148242039694275 0.000000000000000 7.037180393794643 Atomic positions (fractional): 1 Y 0.18028789344280 0.32053487123405 0.67639531604347 88.906 > 1 2 Y 0.68028789344280 0.32053487123405 0.67639531604347 88.906 > 1 3 Y 0.18028789344280 0.82053487123405 0.67639531604347 88.906 > 1 4 Y 0.68028789344280 0.82053487123405 0.67639531604347 88.906 > 1 5 Y 0.31971210655720 0.07053487123405 0.82360468395653 88.906 > 5 6 Y 0.81971210655720 0.07053487123405 0.82360468395653 88.906 > 5 7 Y 0.31971210655720 0.57053487123405 0.82360468395653 88.906 > 5 8 Y 0.81971210655720 0.57053487123405 0.82360468395653 88.906 > 5 9 Y 0.31971210655720 0.17946512876595 0.32360468395653 88.906 > 9 10 Y 0.81971210655720 0.17946512876595 0.32360468395653 88.906 > 9 11 Y 0.31971210655720 0.67946512876595 0.32360468395653 88.906 > 9 12 Y 0.81971210655720 0.67946512876595 0.32360468395653 88.906 > 9 13 Y 0.18028789344280 0.42946512876595 0.17639531604347 88.906 > 13 14 Y 0.68028789344280 0.42946512876595 0.17639531604347 88.906 > 13 15 Y 0.18028789344280 0.92946512876595 0.17639531604347 88.906 > 13 16 Y 0.68028789344280 0.92946512876595 0.17639531604347 88.906 > 13 17 Se 0.42745850348865 0.44162181088040 0.29206805745447 78.960 > 17 18 Se 0.92745850348865 0.44162181088040 0.29206805745447 78.960 > 17 19 Se 0.42745850348865 0.94162181088040 0.29206805745447 78.960 > 17 20 Se 0.92745850348865 0.94162181088040 0.29206805745447 78.960 > 17 21 Se 0.07254149651135 0.05837818911960 0.70793194254553 78.960 > 21 22 Se 0.57254149651135 0.05837818911960 0.70793194254553 78.960 > 21 23 Se 0.07254149651135 0.55837818911960 0.70793194254553 78.960 > 21 24 Se 0.57254149651135 0.55837818911960 0.70793194254553 78.960 > 21 25 Se 0.42745850348865 0.30837818911960 0.79206805745447 78.960 > 25 26 Se 0.92745850348865 0.30837818911960 0.79206805745447 78.960 > 25 27 Se 0.42745850348865 0.80837818911960 0.79206805745447 78.960 > 25 28 Se 0.92745850348865 0.80837818911960 0.79206805745447 78.960 > 25 29 Se 0.07254149651135 0.19162181088040 0.20793194254553 78.960 > 29 30 Se 0.57254149651135 0.19162181088040 0.20793194254553 78.960 > 29 31 Se 0.07254149651135 0.69162181088040 0.20793194254553 78.960 > 29 32 Se 0.57254149651135 0.69162181088040 0.20793194254553 78.960 > 29 33 O 0.16266149577171 0.48226574347010 0.85168261708586 15.999 > 33 34 O 0.66266149577171 0.48226574347010 0.85168261708586 15.999 > 33 35 O 0.16266149577171 0.98226574347010 0.85168261708586 15.999 > 33 36 O 0.66266149577171 0.98226574347010 0.85168261708586 15.999 > 33 37 O 0.49367605880862 0.15516516990739 0.36237792751065 15.999 > 37 38 O 0.99367605880862 0.15516516990739 0.36237792751065 15.999 > 37 39 O 0.49367605880862 0.65516516990739 0.36237792751065 15.999 > 37 40 O 0.99367605880862 0.65516516990739 0.36237792751065 15.999 > 37 41 O 0.33733850422829 0.01773425652990 0.14831738291414 15.999 > 41 42 O 0.83733850422829 0.01773425652990 0.14831738291414 15.999 > 41 43 O 0.33733850422829 0.51773425652990 0.14831738291414 15.999 > 41 44 O 0.83733850422829 0.51773425652990 0.14831738291414 15.999 > 41 45 O 0.16222021604876 0.15217479658235 0.71593925383981 15.999 > 45 46 O 0.66222021604876 0.15217479658235 0.71593925383981 15.999 > 45 47 O 0.16222021604876 0.65217479658235 0.71593925383981 15.999 > 45 48 O 0.66222021604876 0.65217479658235 0.71593925383981 15.999 > 45 49 O 0.33777978395124 0.40217479658235 0.78406074616019 15.999 > 49 50 O 0.83777978395124 0.40217479658235 0.78406074616019 15.999 > 49 51 O 0.33777978395124 0.90217479658235 0.78406074616019 15.999 > 49 52 O 0.83777978395124 0.90217479658235 0.78406074616019 15.999 > 49 53 O 0.00632394119138 0.40516516990739 0.13762207248935 15.999 > 53 54 O 0.50632394119138 0.40516516990739 0.13762207248935 15.999 > 53 55 O 0.00632394119138 0.90516516990739 0.13762207248935 15.999 > 53 56 O 0.50632394119138 0.90516516990739 0.13762207248935 15.999 > 53 57 O 0.16266149577171 0.26773425652990 0.35168261708586 15.999 > 57 58 O 0.66266149577171 0.26773425652990 0.35168261708586 15.999 > 57 59 O 0.16266149577171 0.76773425652990 0.35168261708586 15.999 > 57 60 O 0.66266149577171 0.76773425652990 0.35168261708586 15.999 > 57 61 O 0.33777978395124 0.34782520341765 0.28406074616019 15.999 > 61 62 O 0.83777978395124 0.34782520341765 0.28406074616019 15.999 > 61 63 O 0.33777978395124 0.84782520341765 0.28406074616019 15.999 > 61 64 O 0.83777978395124 0.84782520341765 0.28406074616019 15.999 > 61 65 O 0.33733850422829 0.23226574347010 0.64831738291414 15.999 > 65 66 O 0.83733850422829 0.23226574347010 0.64831738291414 15.999 > 65 67 O 0.33733850422829 0.73226574347010 0.64831738291414 15.999 > 65 68 O 0.83733850422829 0.73226574347010 0.64831738291414 15.999 > 65 69 O 0.00632394119138 0.34483483009261 0.63762207248935 15.999 > 69 70 O 0.50632394119138 0.34483483009261 0.63762207248935 15.999 > 69 71 O 0.00632394119138 0.84483483009261 0.63762207248935 15.999 > 69 72 O 0.50632394119138 0.84483483009261 0.63762207248935 15.999 > 69 73 O 0.16222021604876 0.09782520341765 0.21593925383981 15.999 > 73 74 O 0.66222021604876 0.09782520341765 0.21593925383981 15.999 > 73 75 O 0.16222021604876 0.59782520341765 0.21593925383981 15.999 > 73 76 O 0.66222021604876 0.59782520341765 0.21593925383981 15.999 > 73 77 O 0.49367605880862 0.09483483009261 0.86237792751065 15.999 > 77 78 O 0.99367605880862 0.09483483009261 0.86237792751065 15.999 > 77 79 O 0.49367605880862 0.59483483009261 0.86237792751065 15.999 > 77 80 O 0.99367605880862 0.59483483009261 0.86237792751065 15.999 > 77 81 F 0.33611338384157 0.05532855968703 0.52353818122811 18.998 > 81 82 F 0.83611338384157 0.05532855968703 0.52353818122811 18.998 > 81 83 F 0.33611338384157 0.55532855968703 0.52353818122811 18.998 > 81 84 F 0.83611338384157 0.55532855968703 0.52353818122811 18.998 > 81 85 F 0.33611338384157 0.19467144031297 0.02353818122811 18.998 > 85 86 F 0.83611338384157 0.19467144031297 0.02353818122811 18.998 > 85 87 F 0.33611338384157 0.69467144031297 0.02353818122811 18.998 > 85 88 F 0.83611338384157 0.69467144031297 0.02353818122811 18.998 > 85 89 F 0.16388661615843 0.30532855968703 0.97646181877189 18.998 > 89 90 F 0.66388661615843 0.30532855968703 0.97646181877189 18.998 > 89 91 F 0.16388661615843 0.80532855968703 0.97646181877189 18.998 > 89 92 F 0.66388661615843 0.80532855968703 0.97646181877189 18.998 > 89 93 F 0.16388661615843 0.44467144031297 0.47646181877189 18.998 > 93 94 F 0.66388661615843 0.44467144031297 0.47646181877189 18.998 > 93 95 F 0.16388661615843 0.94467144031297 0.47646181877189 18.998 > 93 96 F 0.66388661615843 0.94467144031297 0.47646181877189 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0623431 0.0000000 -0.1062454 0.0000000 3.7700569 0.0000000 -0.1062449 0.0000000 3.4921703 -------------------------- Born effective charges -------------------------- 1 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 2 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 3 Y 4.4366814 -0.0309406 0.0660975 -0.0960067 3.9494098 0.2643005 -0.2551934 -0.2310614 3.7968543 4 Y 4.4366814 0.0309406 0.0660975 0.0960067 3.9494098 -0.2643005 -0.2551934 0.2310614 3.7968543 5 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 6 Se 3.6314181 -0.0954266 -0.4414532 -0.3825688 3.0417770 -0.2676775 -0.2285220 -0.3391656 2.5587505 7 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 8 Se 3.6314181 0.0954266 -0.4414532 0.3825688 3.0417770 0.2676775 -0.2285220 0.3391656 2.5587505 9 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 10 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 11 O -2.0143555 0.1671537 -0.4752856 0.7260053 -2.0012363 0.7569513 -0.3464508 0.3291536 -1.9405198 12 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 13 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 14 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 15 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 16 O -2.1749840 -0.6325892 -0.3103477 -0.6891771 -2.4306449 0.0652569 0.1013688 0.4617624 -0.9114384 17 O -2.0143555 -0.1671537 -0.4752856 -0.7260053 -2.0012363 -0.7569513 -0.3464508 -0.3291536 -1.9405198 18 O -2.8631007 -0.4111723 0.9452720 -0.2552803 -1.1693843 0.4012533 0.4009137 0.3528449 -1.5266318 19 O -2.1749840 0.6325892 -0.3103477 0.6891771 -2.4306449 -0.0652569 0.1013688 -0.4617624 -0.9114384 20 O -2.8631007 0.4111723 0.9452720 0.2552803 -1.1693843 -0.4012533 0.4009137 -0.3528449 -1.5266318 21 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 22 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 23 F -1.0156593 -0.0694853 0.2157170 -0.1013777 -1.3899214 -0.2196833 0.3278837 -0.0653173 -1.9770147 24 F -1.0156593 0.0694853 0.2157170 0.1013777 -1.3899214 0.2196833 0.3278837 0.0653173 -1.9770147 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 9.035 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.734 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 0.000) 0.000 18.586 ( 0.000 0.000 0.000) 0.000 18.788 ( 0.000 0.000 0.000) 0.000 19.696 ( 0.000 0.000 0.000) 0.000 19.761 ( 0.000 0.000 0.000) 0.000 21.404 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 21.672 ( 0.000 0.000 0.000) 0.000 21.860 ( 0.000 0.000 0.000) 0.000 23.492 ( 0.000 0.000 0.000) 0.000 23.679 ( 0.000 0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 24.302 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 22.575 0.000 14.993) 27.101 0.529 ( 26.638 0.000 2.283) 26.735 1.225 ( 61.291 0.000 -2.360) 61.336 2.194 ( 9.712 0.000 5.448) 11.135 2.562 ( -0.260 0.000 -0.091) 0.275 2.989 ( 4.202 0.000 -3.463) 5.445 3.176 ( -6.035 0.000 -0.794) 6.087 3.291 ( 1.219 0.000 -2.417) 2.707 3.564 ( 3.536 0.000 -6.056) 7.013 3.685 ( 5.644 0.000 2.962) 6.374 3.765 ( 7.821 0.000 -0.903) 7.873 3.962 ( -3.892 0.000 -2.978) 4.901 3.985 ( -4.171 0.000 -0.809) 4.249 4.020 ( 13.474 0.000 -0.219) 13.476 4.041 ( -0.998 0.000 7.584) 7.650 4.114 ( -4.206 0.000 -3.212) 5.293 4.267 ( 2.241 0.000 10.460) 10.697 4.484 ( 3.104 0.000 2.645) 4.078 4.551 ( 2.205 0.000 1.376) 2.599 5.087 ( 8.055 0.000 -3.944) 8.969 5.311 ( -7.338 0.000 -1.237) 7.441 5.463 ( -1.008 0.000 1.386) 1.714 5.553 ( -3.069 0.000 8.549) 9.083 5.625 ( 2.511 0.000 -7.705) 8.104 5.951 ( 3.312 0.000 7.155) 7.884 6.056 ( 3.569 0.000 -1.059) 3.723 6.176 ( 0.088 0.000 -2.223) 2.225 6.569 ( -0.601 0.000 2.972) 3.032 6.696 ( -3.021 0.000 -1.202) 3.251 6.789 ( 6.510 0.000 -1.902) 6.782 7.072 ( -4.377 0.000 1.458) 4.613 7.292 ( -1.430 0.000 -5.224) 5.416 7.392 ( -4.554 0.000 1.505) 4.797 7.652 ( 2.736 0.000 0.374) 2.761 7.745 ( 6.782 0.000 1.878) 7.037 8.217 ( -1.038 0.000 -3.315) 3.474 8.218 ( -2.893 0.000 -0.049) 2.894 8.260 ( -0.616 0.000 7.167) 7.193 8.377 ( 3.373 0.000 -2.241) 4.049 8.792 ( -3.363 0.000 7.367) 8.098 9.184 ( -1.603 0.000 -0.805) 1.794 9.729 ( 2.330 0.000 -52.155) 52.207 9.761 ( 2.239 0.000 0.233) 2.251 9.842 ( -0.105 0.000 0.079) 0.132 10.337 ( 2.367 0.000 -0.163) 2.372 10.362 ( 0.369 0.000 0.931) 1.002 10.788 ( -0.578 0.000 -21.698) 21.705 10.883 ( -3.253 0.000 -0.240) 3.262 11.553 ( -5.235 0.000 23.862) 24.430 11.619 ( 0.943 0.000 5.766) 5.843 12.189 ( 4.289 0.000 1.376) 4.504 12.287 ( -0.837 0.000 0.327) 0.899 12.886 ( 1.061 0.000 0.574) 1.206 13.124 ( 0.789 0.000 16.072) 16.091 13.286 ( -15.859 0.000 -3.505) 16.242 13.641 ( -17.671 0.000 2.796) 17.891 13.761 ( -3.091 0.000 -0.420) 3.119 13.857 ( 11.047 0.000 2.506) 11.328 14.350 ( 16.027 0.000 -3.758) 16.462 15.189 ( -5.912 0.000 28.796) 29.396 18.557 ( -3.021 0.000 1.437) 3.346 18.804 ( 1.898 0.000 -1.736) 2.573 19.749 ( 5.658 0.000 -3.020) 6.413 19.753 ( -4.987 0.000 11.046) 12.119 21.336 ( -5.135 0.000 -0.750) 5.190 21.779 ( 8.636 0.000 3.807) 9.438 21.856 ( -0.580 0.000 0.908) 1.077 23.272 ( 0.199 0.000 21.478) 21.479 23.687 ( 0.825 0.000 -0.204) 0.850 23.765 ( -0.666 0.000 -3.274) 3.341 24.320 ( 1.613 0.000 1.170) 1.992 24.564 ( 15.601 0.000 -92.838) 94.140 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 22.066 0.000 13.883) 26.070 1.001 ( 20.989 0.000 3.537) 21.285 2.137 ( 23.185 0.000 -3.742) 23.486 2.318 ( 0.840 0.000 7.593) 7.639 2.650 ( 19.559 0.000 -1.040) 19.586 3.070 ( -0.447 0.000 -1.776) 1.831 3.102 ( 2.304 0.000 -4.197) 4.787 3.303 ( 1.571 0.000 -3.311) 3.665 3.631 ( 4.726 0.000 -10.014) 11.073 3.754 ( -2.344 0.000 4.819) 5.359 3.802 ( -7.127 0.000 -4.754) 8.567 3.835 ( -7.126 0.000 2.448) 7.535 3.975 ( 2.204 0.000 3.791) 4.385 4.008 ( 9.736 0.000 -2.822) 10.136 4.113 ( 7.909 0.000 -4.085) 8.902 4.283 ( 0.952 0.000 3.166) 3.306 4.503 ( 22.693 0.000 1.400) 22.736 4.575 ( 8.789 0.000 3.757) 9.559 4.747 ( 14.434 0.000 2.048) 14.579 5.183 ( -5.042 0.000 0.987) 5.138 5.198 ( 4.407 0.000 -3.733) 5.775 5.467 ( 1.628 0.000 1.612) 2.291 5.511 ( -3.636 0.000 6.777) 7.691 5.651 ( 2.502 0.000 -5.057) 5.643 5.993 ( -2.078 0.000 8.397) 8.650 6.111 ( 0.765 0.000 -2.773) 2.876 6.178 ( 1.894 0.000 -3.270) 3.779 6.580 ( -0.487 0.000 3.202) 3.239 6.624 ( -2.769 0.000 -0.805) 2.883 6.791 ( -6.956 0.000 -3.311) 7.704 7.041 ( -0.398 0.000 6.218) 6.230 7.264 ( 0.302 0.000 -2.939) 2.954 7.335 ( -0.573 0.000 -0.795) 0.980 7.682 ( -0.439 0.000 1.960) 2.009 7.813 ( -1.132 0.000 1.900) 2.212 8.119 ( -7.012 0.000 -5.582) 8.963 8.211 ( 2.878 0.000 0.056) 2.879 8.342 ( 6.137 0.000 5.362) 8.149 8.443 ( 4.149 0.000 -2.536) 4.863 8.719 ( -5.933 0.000 3.490) 6.883 9.139 ( -2.368 0.000 -1.060) 2.595 9.597 ( -3.487 0.000 -20.572) 20.865 9.775 ( -0.917 0.000 1.250) 1.551 9.898 ( 6.015 0.000 -0.817) 6.070 10.377 ( 0.797 0.000 1.745) 1.918 10.387 ( 2.564 0.000 0.218) 2.573 10.683 ( -5.253 0.000 -7.700) 9.321 10.790 ( -6.249 0.000 -0.773) 6.297 11.528 ( -2.450 0.000 7.502) 7.892 11.657 ( 1.625 0.000 2.217) 2.749 12.255 ( -1.404 0.000 3.082) 3.387 12.308 ( 5.562 0.000 0.340) 5.572 12.927 ( 3.176 0.000 0.306) 3.191 13.000 ( -12.124 0.000 -3.547) 12.632 13.193 ( 2.272 0.000 6.678) 7.054 13.350 ( -12.867 0.000 1.202) 12.923 13.682 ( -4.661 0.000 -0.562) 4.695 14.026 ( 5.995 0.000 1.794) 6.257 14.601 ( 11.132 0.000 -2.981) 11.524 15.158 ( -3.645 0.000 10.691) 11.296 18.497 ( -3.389 0.000 1.733) 3.807 18.844 ( 2.924 0.000 -2.762) 4.022 19.676 ( -5.738 0.000 7.364) 9.336 19.866 ( 7.054 0.000 -3.962) 8.090 21.244 ( -4.091 0.000 -0.119) 4.093 21.847 ( -0.592 0.000 1.185) 1.325 21.973 ( 9.576 0.000 4.456) 10.562 23.361 ( 4.019 0.000 7.678) 8.666 23.705 ( 0.962 0.000 -0.344) 1.022 23.734 ( -1.227 0.000 -4.661) 4.820 24.363 ( 2.278 0.000 1.665) 2.821 24.574 ( 6.574 0.000 -37.064) 37.643 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 8.900 0.000 3.872) 9.706 1.396 ( 20.443 0.000 12.094) 23.752 2.116 ( -11.296 0.000 -6.669) 13.118 2.380 ( 6.419 0.000 3.203) 7.174 2.912 ( -12.097 0.000 1.268) 12.164 3.161 ( 20.232 0.000 -2.452) 20.380 3.194 ( 4.453 0.000 -4.559) 6.373 3.341 ( 2.987 0.000 -1.872) 3.525 3.564 ( -5.487 0.000 -4.618) 7.172 3.663 ( -5.135 0.000 3.121) 6.009 3.757 ( -3.018 0.000 2.314) 3.802 3.763 ( 2.481 0.000 -7.037) 7.461 4.059 ( 3.423 0.000 3.917) 5.202 4.188 ( 5.825 0.000 -0.665) 5.863 4.267 ( 10.048 0.000 4.565) 11.037 4.388 ( 8.820 0.000 -7.559) 11.616 4.715 ( 11.914 0.000 2.427) 12.158 4.992 ( 8.005 0.000 4.145) 9.014 4.997 ( 20.901 0.000 0.094) 20.901 5.116 ( -4.350 0.000 2.373) 4.955 5.236 ( 1.052 0.000 -4.702) 4.818 5.465 ( -2.597 0.000 2.704) 3.749 5.558 ( 7.402 0.000 -0.419) 7.414 5.706 ( 4.529 0.000 -0.424) 4.548 5.933 ( -5.986 0.000 6.472) 8.816 6.008 ( -9.536 0.000 -3.292) 10.089 6.225 ( 3.257 0.000 -2.345) 4.014 6.554 ( -3.022 0.000 2.967) 4.235 6.615 ( -7.473 0.000 -2.819) 7.987 6.636 ( 3.516 0.000 0.363) 3.535 6.962 ( -9.007 0.000 4.663) 10.143 7.299 ( 4.345 0.000 -1.715) 4.671 7.393 ( 5.231 0.000 -0.545) 5.259 7.660 ( -2.142 0.000 4.782) 5.239 7.751 ( -4.116 0.000 0.247) 4.123 7.908 ( -12.490 0.000 -8.001) 14.833 8.293 ( 4.125 0.000 0.700) 4.184 8.491 ( 6.262 0.000 5.566) 8.378 8.506 ( 2.847 0.000 -1.912) 3.430 8.622 ( -3.539 0.000 -0.441) 3.566 9.104 ( -0.988 0.000 -0.264) 1.022 9.483 ( -3.589 0.000 -8.495) 9.222 9.759 ( -0.901 0.000 0.876) 1.257 10.031 ( 7.295 0.000 -0.493) 7.311 10.405 ( 1.581 0.000 2.213) 2.720 10.430 ( 1.694 0.000 1.059) 1.998 10.560 ( -5.316 0.000 -3.719) 6.487 10.652 ( -7.299 0.000 -1.434) 7.438 11.509 ( -1.056 0.000 2.470) 2.686 11.688 ( 1.049 0.000 0.755) 1.292 12.227 ( -1.654 0.000 1.406) 2.171 12.391 ( 1.618 0.000 2.003) 2.574 12.838 ( -3.504 0.000 -2.865) 4.526 12.999 ( 3.768 0.000 -0.025) 3.768 13.171 ( -6.231 0.000 0.210) 6.235 13.237 ( 0.597 0.000 2.825) 2.887 13.598 ( -3.543 0.000 -0.304) 3.556 14.103 ( 2.053 0.000 0.945) 2.260 14.751 ( 5.378 0.000 -1.619) 5.616 15.124 ( -2.114 0.000 3.946) 4.477 18.449 ( -1.966 0.000 1.083) 2.244 18.889 ( 2.327 0.000 -2.265) 3.247 19.597 ( -4.038 0.000 4.444) 6.004 19.970 ( 4.527 0.000 -2.647) 5.244 21.184 ( -2.100 0.000 0.134) 2.104 21.842 ( -0.296 0.000 0.786) 0.840 22.143 ( 6.379 0.000 2.952) 7.029 23.456 ( 3.720 0.000 3.205) 4.910 23.694 ( -1.458 0.000 -3.660) 3.939 23.718 ( 0.500 0.000 -0.295) 0.581 24.407 ( 1.606 0.000 1.186) 1.996 24.582 ( 2.718 0.000 -14.882) 15.128 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 0.000 0.000) 0.000 1.747 ( -0.000 0.000 -0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.534 ( -0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 -0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.433 ( 0.000 0.000 -0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.961 ( -0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 -0.000) 0.000 5.081 ( 0.000 0.000 -0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.843 ( -0.000 0.000 -0.000) 0.000 5.862 ( 0.000 0.000 -0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 -0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 -0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.455 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 -0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.443 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.482 ( -0.000 0.000 -0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 12.212 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 -0.000) 0.000 12.813 ( 0.000 0.000 -0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.112 ( 0.000 0.000 -0.000) 0.000 13.242 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.799 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 18.432 ( 0.000 0.000 0.000) 0.000 18.909 ( 0.000 0.000 0.000) 0.000 19.564 ( 0.000 0.000 0.000) 0.000 20.011 ( 0.000 0.000 0.000) 0.000 21.165 ( 0.000 0.000 0.000) 0.000 21.840 ( 0.000 0.000 -0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 23.502 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 -0.000) 0.000 23.722 ( 0.000 0.000 -0.000) 0.000 24.425 ( 0.000 0.000 -0.000) 0.000 24.585 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 26.925 0.000) 26.925 0.650 ( 0.000 30.931 0.000) 30.931 1.007 ( 0.000 46.754 0.000) 46.754 2.110 ( 0.000 4.771 0.000) 4.771 2.603 ( 0.000 2.268 0.000) 2.268 2.923 ( 0.000 -2.359 0.000) 2.359 3.218 ( 0.000 -5.755 0.000) 5.755 3.352 ( 0.000 6.019 0.000) 6.019 3.508 ( 0.000 -6.646 0.000) 6.646 3.575 ( 0.000 -0.357 0.000) 0.357 3.780 ( 0.000 2.659 0.000) 2.659 3.804 ( 0.000 -0.721 0.000) 0.721 3.903 ( 0.000 3.784 0.000) 3.784 3.915 ( 0.000 -9.375 0.000) 9.375 4.088 ( 0.000 4.742 0.000) 4.742 4.096 ( 0.000 -1.669 0.000) 1.669 4.400 ( 0.000 7.494 0.000) 7.494 4.594 ( 0.000 2.620 0.000) 2.620 4.943 ( 0.000 -4.158 0.000) 4.158 5.012 ( 0.000 -6.127 0.000) 6.127 5.431 ( 0.000 -3.834 0.000) 3.834 5.482 ( 0.000 5.421 0.000) 5.421 5.584 ( 0.000 -0.739 0.000) 0.739 5.616 ( 0.000 3.281 0.000) 3.281 5.835 ( 0.000 -6.760 0.000) 6.760 6.140 ( 0.000 4.255 0.000) 4.255 6.187 ( 0.000 1.905 0.000) 1.905 6.588 ( 0.000 -5.263 0.000) 5.263 6.596 ( 0.000 -7.978 0.000) 7.978 6.926 ( 0.000 6.248 0.000) 6.248 7.009 ( 0.000 -4.884 0.000) 4.884 7.084 ( 0.000 -1.851 0.000) 1.851 7.423 ( 0.000 2.069 0.000) 2.069 7.425 ( 0.000 -8.120 0.000) 8.120 7.516 ( 0.000 4.092 0.000) 4.092 7.689 ( 0.000 -2.353 0.000) 2.353 8.337 ( 0.000 0.167 0.000) 0.167 8.386 ( 0.000 7.593 0.000) 7.593 8.535 ( 0.000 0.039 0.000) 0.039 8.643 ( 0.000 -0.699 0.000) 0.699 9.045 ( 0.000 1.186 0.000) 1.186 9.205 ( 0.000 1.072 0.000) 1.072 9.802 ( 0.000 0.160 0.000) 0.160 10.355 ( 0.000 3.303 0.000) 3.303 10.390 ( 0.000 2.978 0.000) 2.978 10.693 ( 0.000 -3.343 0.000) 3.343 10.877 ( 0.000 1.566 0.000) 1.566 10.907 ( 0.000 -0.831 0.000) 0.831 11.486 ( 0.000 0.751 0.000) 0.751 11.626 ( 0.000 2.897 0.000) 2.897 12.101 ( 0.000 -5.235 0.000) 5.235 12.266 ( 0.000 -2.829 0.000) 2.829 12.743 ( 0.000 0.225 0.000) 0.225 12.880 ( 0.000 0.258 0.000) 0.258 13.609 ( 0.000 1.019 0.000) 1.019 13.626 ( 0.000 -0.430 0.000) 0.430 13.797 ( 0.000 0.301 0.000) 0.301 13.811 ( 0.000 -0.020 0.000) 0.020 14.101 ( 0.000 1.300 0.000) 1.300 14.645 ( 0.000 -4.857 0.000) 4.857 18.862 ( 0.000 6.639 0.000) 6.639 19.569 ( 0.000 -6.330 0.000) 6.330 19.926 ( 0.000 9.645 0.000) 9.645 20.423 ( 0.000 -0.689 0.000) 0.689 21.574 ( 0.000 -1.559 0.000) 1.559 21.696 ( 0.000 1.782 0.000) 1.782 21.758 ( 0.000 -0.006 0.000) 0.006 21.836 ( 0.000 -2.279 0.000) 2.279 23.506 ( 0.000 1.395 0.000) 1.395 23.764 ( 0.000 -1.223 0.000) 1.223 24.299 ( 0.000 -0.285 0.000) 0.285 24.309 ( 0.000 -0.585 0.000) 0.585 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 14.228 22.272 10.023) 28.265 0.991 ( 17.936 28.962 0.247) 34.067 1.457 ( 46.496 22.885 -1.929) 51.859 2.239 ( 6.711 3.534 1.782) 7.791 2.645 ( 5.072 5.340 2.683) 7.838 2.966 ( 4.147 -2.766 -3.271) 5.962 3.186 ( -3.938 -2.223 -0.821) 4.596 3.251 ( -3.493 2.962 -0.683) 4.630 3.539 ( -0.401 -3.994 -6.953) 8.029 3.558 ( 3.857 -7.475 1.324) 8.515 3.786 ( 3.123 -1.044 -2.218) 3.970 3.852 ( -2.573 -3.626 -0.931) 4.542 3.931 ( 5.489 -3.052 0.345) 6.290 4.061 ( 0.924 4.637 2.303) 5.259 4.092 ( 7.522 -0.568 3.172) 8.184 4.133 ( 8.027 3.398 2.589) 9.093 4.463 ( -1.044 13.960 -1.333) 14.062 4.539 ( 3.089 -1.060 1.252) 3.497 4.731 ( -12.982 10.541 1.701) 16.809 5.033 ( 6.666 -5.244 -2.502) 8.842 5.376 ( -8.361 3.905 -0.107) 9.229 5.414 ( -1.705 -3.982 -0.556) 4.368 5.545 ( -2.203 0.667 7.290) 7.645 5.625 ( 1.801 0.995 -6.106) 6.443 5.892 ( 4.882 -7.237 1.995) 8.954 6.078 ( -1.681 2.646 3.587) 4.764 6.182 ( -0.132 1.719 -1.902) 2.567 6.505 ( -0.739 -3.645 3.275) 4.956 6.632 ( -1.267 -4.582 -1.621) 5.023 6.902 ( 4.498 3.651 1.246) 5.926 6.994 ( -4.752 -4.510 -0.148) 6.553 7.269 ( -2.836 -0.400 -0.984) 3.029 7.445 ( 4.417 -2.379 -5.290) 7.291 7.482 ( 2.229 -5.801 2.262) 6.613 7.685 ( 7.063 -9.759 -0.708) 12.068 7.835 ( 12.672 -8.447 3.299) 15.583 8.322 ( -1.722 1.913 3.282) 4.171 8.364 ( -1.574 6.665 -0.569) 6.872 8.498 ( -0.405 5.643 -2.259) 6.092 8.741 ( 2.357 -4.207 4.801) 6.805 9.161 ( 6.048 -4.777 -10.812) 13.278 9.216 ( 5.759 -3.289 -2.151) 6.972 9.828 ( 2.878 0.415 -0.265) 2.920 10.259 ( -11.294 6.761 2.063) 13.324 10.366 ( -1.509 3.211 -1.246) 3.760 10.574 ( -2.326 11.335 -3.319) 12.038 10.754 ( -2.707 -1.529 -16.266) 16.561 10.948 ( -0.216 4.526 -12.162) 12.979 11.535 ( -0.997 -0.937 17.711) 17.764 11.642 ( 0.564 2.296 5.385) 5.881 12.122 ( 3.089 -6.165 2.066) 7.199 12.258 ( -0.822 -2.880 -0.217) 3.003 12.867 ( 1.152 -1.851 2.239) 3.125 12.939 ( 6.704 -7.148 9.711) 13.797 13.324 ( -14.539 3.076 -3.826) 15.345 13.694 ( -9.903 0.842 2.561) 10.264 13.761 ( -3.363 -0.628 -0.512) 3.459 13.939 ( 7.414 5.763 0.311) 9.396 14.154 ( 14.744 -10.691 2.241) 18.350 14.878 ( 12.553 -13.114 5.730) 19.037 18.856 ( -0.798 6.428 -2.200) 6.841 19.278 ( -38.204 28.935 -3.591) 48.059 19.649 ( -9.960 1.172 12.595) 16.101 19.927 ( 0.439 8.713 0.247) 8.728 21.343 ( -6.661 0.690 0.719) 6.735 21.750 ( 5.876 -2.719 4.474) 7.870 21.865 ( 3.579 1.030 -1.323) 3.952 22.852 ( 36.283 -29.013 -3.651) 46.600 23.552 ( 4.472 -1.640 -6.643) 8.175 23.796 ( 2.377 -1.257 2.530) 3.692 24.255 ( 0.606 -2.372 -8.992) 9.320 24.434 ( 10.665 -3.655 -19.726) 22.720 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 18.347 15.230 12.320) 26.839 1.310 ( 15.056 24.678 2.361) 29.005 2.243 ( 22.012 10.189 -4.148) 24.608 2.300 ( 2.759 0.224 2.594) 3.793 2.764 ( 10.419 7.217 2.839) 12.989 3.051 ( 5.869 -4.103 -5.877) 9.263 3.142 ( -0.530 4.646 0.866) 4.756 3.235 ( 0.971 -2.670 -1.004) 3.013 3.506 ( -2.091 -10.462 -7.530) 13.059 3.625 ( 2.065 -5.281 0.614) 5.704 3.777 ( -0.872 -3.761 -0.169) 3.864 3.867 ( -0.057 0.092 0.047) 0.118 3.998 ( 9.513 0.103 -2.709) 9.891 4.131 ( -0.840 8.731 5.492) 10.348 4.169 ( 6.753 4.376 -3.417) 8.743 4.308 ( -0.461 4.452 -1.280) 4.655 4.552 ( 23.448 3.287 2.530) 23.812 4.663 ( 1.764 6.104 1.984) 6.656 4.783 ( 16.119 3.773 0.027) 16.555 5.114 ( 2.068 -7.756 -1.773) 8.220 5.230 ( -5.777 3.038 1.752) 6.759 5.406 ( 1.512 -4.545 -0.606) 4.828 5.514 ( -2.924 0.636 6.680) 7.320 5.654 ( 2.600 0.654 -3.733) 4.596 5.993 ( 3.514 -5.696 4.337) 7.975 6.060 ( -1.075 -1.679 0.861) 2.171 6.165 ( -1.822 1.736 -3.486) 4.300 6.504 ( -2.388 -2.205 2.617) 4.173 6.573 ( -2.499 -4.749 -0.680) 5.409 6.868 ( -7.698 -0.815 -1.668) 7.919 7.012 ( 5.050 -1.720 2.744) 6.000 7.194 ( -5.205 -0.090 2.157) 5.635 7.439 ( 1.769 4.524 -3.266) 5.853 7.591 ( 4.017 -7.105 -2.463) 8.525 7.742 ( -0.122 -6.225 3.864) 7.328 7.950 ( -0.570 -8.265 -1.810) 8.480 8.325 ( 0.786 0.927 5.618) 5.748 8.336 ( -0.255 5.558 -2.000) 5.912 8.514 ( 2.672 4.325 -2.640) 5.728 8.740 ( -2.725 0.614 3.792) 4.710 9.152 ( -0.979 1.589 -1.683) 2.513 9.347 ( 5.681 -9.164 -8.765) 13.895 9.906 ( 4.721 0.894 0.204) 4.809 10.058 ( -7.516 11.202 -0.769) 13.512 10.351 ( 0.198 2.487 -0.720) 2.597 10.583 ( 1.594 9.640 -0.603) 9.789 10.634 ( -5.914 -1.301 -5.970) 8.503 10.868 ( -4.538 6.321 -6.475) 10.123 11.546 ( -1.622 1.584 8.117) 8.427 11.675 ( 1.522 1.810 2.286) 3.289 12.183 ( -0.254 -7.068 3.612) 7.941 12.271 ( 4.043 -3.329 -0.189) 5.240 12.874 ( -1.407 -2.090 0.950) 2.693 13.028 ( -0.274 -7.375 2.784) 7.888 13.094 ( -6.086 4.904 -1.073) 7.889 13.479 ( -9.739 5.445 1.866) 11.313 13.681 ( -4.449 -0.261 -0.808) 4.529 14.084 ( 6.037 5.356 1.241) 8.165 14.427 ( 11.500 -14.318 0.527) 18.372 15.038 ( 3.636 -8.822 3.976) 10.337 18.712 ( -12.540 14.871 0.530) 19.460 18.929 ( -1.313 8.956 -2.148) 9.303 19.574 ( -4.651 -6.557 5.339) 9.650 19.952 ( 2.193 4.587 -1.447) 5.286 21.242 ( -4.265 0.348 0.940) 4.382 21.858 ( 4.099 -0.485 0.842) 4.213 21.969 ( 6.652 1.162 2.963) 7.374 23.233 ( 11.206 -12.117 1.469) 16.570 23.595 ( 1.860 -2.575 -5.198) 6.092 23.847 ( 1.760 2.496 3.884) 4.941 24.248 ( 1.314 -6.596 -9.877) 11.950 24.551 ( 7.169 -1.929 -14.978) 16.717 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 10.243 12.787 8.296) 18.364 1.563 ( 14.258 16.975 6.730) 23.168 2.220 ( -10.974 9.872 -7.089) 16.375 2.395 ( 7.766 1.712 0.691) 7.983 2.892 ( -7.177 -0.973 1.409) 7.378 3.122 ( 3.463 -6.080 -4.322) 8.224 3.241 ( 1.532 -4.153 2.775) 5.225 3.281 ( 8.553 4.380 -4.204) 10.488 3.464 ( 2.621 -5.342 -2.862) 6.603 3.616 ( -2.496 -3.821 1.504) 4.806 3.733 ( -3.485 2.570 -0.661) 4.380 3.895 ( 1.806 2.940 -1.534) 3.776 4.152 ( 5.270 7.557 2.212) 9.474 4.230 ( 9.269 3.505 0.010) 9.910 4.297 ( 7.764 2.793 1.714) 8.427 4.369 ( 6.575 -0.081 -6.536) 9.271 4.734 ( 4.829 1.070 3.650) 6.147 5.010 ( 20.128 0.724 1.359) 20.187 5.026 ( 3.252 0.298 -1.808) 3.733 5.094 ( 0.368 -3.080 2.701) 4.113 5.219 ( 3.854 1.977 -1.297) 4.521 5.468 ( 0.993 -0.184 1.443) 1.761 5.514 ( 5.284 -2.527 0.889) 5.924 5.705 ( 3.804 0.281 -0.111) 3.816 5.990 ( -4.253 3.672 5.970) 8.198 6.034 ( -9.756 1.995 -4.119) 10.776 6.091 ( 2.655 -10.525 -1.436) 10.949 6.439 ( -3.562 -2.903 0.379) 4.611 6.541 ( -2.948 -4.679 0.943) 5.610 6.748 ( -1.949 -0.920 -1.625) 2.699 7.020 ( -8.024 7.377 5.538) 12.226 7.172 ( 6.295 -8.665 0.006) 10.710 7.472 ( 0.288 0.463 -3.910) 3.948 7.610 ( -0.135 -1.544 -2.640) 3.062 7.719 ( -2.448 -3.810 2.743) 5.295 7.861 ( -6.565 -2.564 -0.634) 7.077 8.326 ( 0.380 3.389 0.238) 3.418 8.378 ( 1.444 -4.658 1.975) 5.261 8.573 ( 3.753 1.600 -1.586) 4.378 8.700 ( -1.600 4.306 1.702) 4.899 9.141 ( 0.138 3.818 0.087) 3.822 9.378 ( 0.617 -5.162 -5.462) 7.541 9.913 ( -2.920 8.846 0.754) 9.346 10.066 ( 6.360 1.836 -0.267) 6.625 10.366 ( 1.259 2.371 0.324) 2.704 10.491 ( -6.518 -3.968 -2.282) 7.965 10.618 ( 1.227 11.679 0.158) 11.744 10.754 ( -5.206 7.682 -3.263) 9.837 11.537 ( -0.930 2.547 3.002) 4.045 11.706 ( 1.108 1.807 0.758) 2.251 12.159 ( -1.870 -6.360 1.547) 6.808 12.351 ( 2.294 -3.886 1.753) 4.841 12.813 ( -2.448 -1.056 -1.707) 3.166 13.015 ( -1.155 -6.419 1.005) 6.599 13.070 ( 1.659 3.987 -0.300) 4.329 13.360 ( -4.016 5.038 1.392) 6.591 13.601 ( -3.223 0.202 -0.445) 3.260 14.166 ( 2.367 5.840 0.763) 6.348 14.586 ( 5.219 -14.198 0.088) 15.127 15.080 ( 0.618 -4.342 1.513) 4.639 18.548 ( -5.164 8.774 0.868) 10.218 18.936 ( 1.361 4.465 -2.332) 5.218 19.501 ( -3.954 -7.400 3.539) 9.106 19.988 ( 1.762 -0.603 -1.542) 2.418 21.187 ( -1.849 1.328 0.753) 2.398 21.918 ( 2.327 6.442 -0.789) 6.895 22.096 ( 4.805 -3.873 3.302) 6.999 23.394 ( 6.099 -6.037 0.848) 8.624 23.593 ( -0.619 -2.585 -2.870) 3.912 23.886 ( 1.182 7.921 2.831) 8.494 24.239 ( 0.471 -11.210 -6.472) 12.953 24.618 ( 3.437 0.719 -6.285) 7.200 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 14.187 0.000) 14.187 1.903 ( -0.000 14.295 -0.000) 14.295 1.930 ( 0.000 7.072 0.000) 7.072 2.562 ( 0.000 3.119 -0.000) 3.119 2.728 ( -0.000 1.173 -0.000) 1.173 3.154 ( 0.000 -6.253 0.000) 6.253 3.228 ( -0.000 -8.800 0.000) 8.800 3.351 ( 0.000 -1.859 -0.000) 1.859 3.510 ( 0.000 -2.427 0.000) 2.427 3.592 ( 0.000 0.569 -0.000) 0.569 3.690 ( -0.000 5.273 -0.000) 5.273 3.907 ( 0.000 2.943 -0.000) 2.943 4.214 ( 0.000 10.768 0.000) 10.768 4.306 ( 0.000 6.441 -0.000) 6.441 4.422 ( -0.000 -0.606 -0.000) 0.606 4.445 ( 0.000 -2.883 0.000) 2.883 4.854 ( 0.000 -8.648 0.000) 8.648 4.918 ( 0.000 -2.750 -0.000) 2.750 5.186 ( -0.000 -1.886 -0.000) 1.886 5.224 ( 0.000 4.792 0.000) 4.792 5.247 ( 0.000 6.422 0.000) 6.422 5.471 ( 0.000 2.775 0.000) 2.775 5.601 ( 0.000 -4.495 -0.000) 4.495 5.804 ( 0.000 -0.018 0.000) 0.018 5.848 ( -0.000 1.249 -0.000) 1.249 5.945 ( 0.000 5.445 -0.000) 5.445 6.120 ( 0.000 -11.271 0.000) 11.271 6.403 ( 0.000 -3.054 -0.000) 3.054 6.489 ( 0.000 -4.337 0.000) 4.337 6.764 ( 0.000 -6.273 0.000) 6.273 6.911 ( 0.000 11.890 -0.000) 11.890 7.339 ( -0.000 -7.870 -0.000) 7.870 7.361 ( 0.000 -5.760 0.000) 5.760 7.600 ( 0.000 0.355 -0.000) 0.355 7.726 ( -0.000 -3.782 0.000) 3.782 7.764 ( 0.000 5.544 0.000) 5.544 8.335 ( 0.000 1.390 0.000) 1.390 8.390 ( 0.000 -6.083 0.000) 6.083 8.614 ( 0.000 -0.489 0.000) 0.489 8.690 ( 0.000 5.482 -0.000) 5.482 9.147 ( 0.000 4.834 0.000) 4.834 9.368 ( 0.000 -3.094 0.000) 3.094 9.884 ( 0.000 9.163 0.000) 9.163 10.151 ( 0.000 0.396 -0.000) 0.396 10.388 ( 0.000 1.982 0.000) 1.982 10.404 ( -0.000 -3.548 -0.000) 3.548 10.632 ( 0.000 11.010 0.000) 11.010 10.689 ( 0.000 9.013 0.000) 9.013 11.533 ( 0.000 2.755 0.000) 2.755 11.719 ( 0.000 1.875 0.000) 1.875 12.142 ( 0.000 -6.399 0.000) 6.399 12.368 ( 0.000 -3.177 0.000) 3.177 12.796 ( 0.000 -0.853 -0.000) 0.853 12.996 ( 0.000 -6.839 -0.000) 6.839 13.102 ( 0.000 4.714 0.000) 4.714 13.320 ( 0.000 3.671 0.000) 3.671 13.569 ( 0.000 0.491 0.000) 0.491 14.188 ( 0.000 6.161 0.000) 6.161 14.634 ( 0.000 -14.109 0.000) 14.109 15.087 ( 0.000 -2.909 0.000) 2.909 18.503 ( 0.000 6.598 0.000) 6.598 18.948 ( 0.000 3.647 0.000) 3.647 19.466 ( 0.000 -7.747 0.000) 7.747 20.003 ( 0.000 -2.787 0.000) 2.787 21.171 ( 0.000 1.948 0.000) 1.948 21.940 ( 0.000 8.949 -0.000) 8.949 22.150 ( 0.000 -5.740 0.000) 5.740 23.463 ( 0.000 -4.271 0.000) 4.271 23.573 ( 0.000 -2.910 -0.000) 2.910 23.903 ( 0.000 10.737 -0.000) 10.737 24.232 ( 0.000 -13.678 0.000) 13.678 24.641 ( 0.000 1.661 0.000) 1.661 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.000 26.932 0.000) 26.932 1.289 ( 0.000 29.964 0.000) 29.964 1.897 ( 0.000 35.079 0.000) 35.079 2.255 ( 0.000 8.931 0.000) 8.931 2.575 ( 0.000 -5.701 0.000) 5.701 2.815 ( 0.000 -9.231 0.000) 9.231 3.059 ( 0.000 -7.671 0.000) 7.671 3.423 ( 0.000 -0.042 0.000) 0.042 3.485 ( 0.000 2.144 0.000) 2.144 3.579 ( 0.000 1.136 0.000) 1.136 3.689 ( 0.000 -4.254 0.000) 4.254 3.779 ( 0.000 -1.504 0.000) 1.504 3.913 ( 0.000 4.887 0.000) 4.887 3.925 ( 0.000 0.429 0.000) 0.429 4.160 ( 0.000 6.527 0.000) 6.527 4.220 ( 0.000 7.341 0.000) 7.341 4.405 ( 0.000 -6.106 0.000) 6.106 4.765 ( 0.000 11.863 0.000) 11.863 4.779 ( 0.000 -11.391 0.000) 11.391 4.886 ( 0.000 -5.038 0.000) 5.038 5.282 ( 0.000 -10.228 0.000) 10.228 5.525 ( 0.000 0.552 0.000) 0.552 5.640 ( 0.000 -5.652 0.000) 5.652 5.680 ( 0.000 7.870 0.000) 7.870 5.686 ( 0.000 -3.951 0.000) 3.951 6.087 ( 0.000 -4.546 0.000) 4.546 6.336 ( 0.000 6.050 0.000) 6.050 6.435 ( 0.000 -5.817 0.000) 5.817 6.556 ( 0.000 2.864 0.000) 2.864 6.899 ( 0.000 -5.340 0.000) 5.340 6.981 ( 0.000 0.552 0.000) 0.552 7.076 ( 0.000 1.610 0.000) 1.610 7.368 ( 0.000 1.621 0.000) 1.621 7.409 ( 0.000 -3.865 0.000) 3.865 7.575 ( 0.000 -7.078 0.000) 7.078 7.582 ( 0.000 1.611 0.000) 1.611 8.361 ( 0.000 2.270 0.000) 2.270 8.482 ( 0.000 0.949 0.000) 0.949 8.535 ( 0.000 0.129 0.000) 0.129 8.633 ( 0.000 -0.660 0.000) 0.660 9.094 ( 0.000 3.544 0.000) 3.544 9.257 ( 0.000 2.981 0.000) 2.981 9.834 ( 0.000 4.026 0.000) 4.026 10.379 ( 0.000 -3.026 0.000) 3.026 10.467 ( 0.000 4.025 0.000) 4.025 10.638 ( 0.000 -0.992 0.000) 0.992 10.885 ( 0.000 -0.682 0.000) 0.682 10.915 ( 0.000 1.690 0.000) 1.690 11.519 ( 0.000 2.630 0.000) 2.630 11.715 ( 0.000 5.372 0.000) 5.372 11.953 ( 0.000 -8.258 0.000) 8.258 12.174 ( 0.000 -5.886 0.000) 5.886 12.763 ( 0.000 1.774 0.000) 1.774 12.882 ( 0.000 -0.292 0.000) 0.292 13.621 ( 0.000 0.093 0.000) 0.093 13.639 ( 0.000 1.613 0.000) 1.613 13.794 ( 0.000 -1.502 0.000) 1.502 13.799 ( 0.000 -0.251 0.000) 0.251 14.152 ( 0.000 3.662 0.000) 3.662 14.517 ( 0.000 -6.883 0.000) 6.883 19.035 ( 0.000 9.043 0.000) 9.043 19.452 ( 0.000 -5.026 0.000) 5.026 20.124 ( 0.000 8.888 0.000) 8.888 20.403 ( 0.000 -1.261 0.000) 1.261 21.550 ( 0.000 -0.427 0.000) 0.427 21.733 ( 0.000 1.700 0.000) 1.700 21.738 ( 0.000 -3.029 0.000) 3.029 21.785 ( 0.000 -1.295 0.000) 1.295 23.548 ( 0.000 2.517 0.000) 2.517 23.727 ( 0.000 -2.234 0.000) 2.234 24.291 ( 0.000 -0.410 0.000) 0.410 24.294 ( 0.000 -0.691 0.000) 0.691 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 9.687 24.764 6.998) 27.497 1.526 ( 20.517 23.719 -1.656) 31.405 2.071 ( 18.742 27.790 -0.803) 33.529 2.354 ( 6.820 8.267 -1.643) 10.843 2.681 ( 9.931 -2.429 5.619) 11.666 2.840 ( 2.819 -10.074 -2.372) 10.727 3.104 ( 2.850 -3.787 -1.558) 4.989 3.376 ( -3.363 2.049 -1.275) 4.139 3.423 ( -7.059 -0.108 -6.461) 9.571 3.493 ( 0.596 0.960 1.819) 2.141 3.711 ( -1.186 -3.165 -1.772) 3.816 3.768 ( 0.357 -4.445 0.130) 4.461 3.912 ( 5.194 -0.356 4.776) 7.065 4.155 ( 11.742 5.363 0.380) 12.915 4.173 ( 0.640 4.479 2.427) 5.134 4.236 ( 6.149 7.319 -2.844) 9.973 4.489 ( 8.104 -4.282 -0.954) 9.216 4.733 ( -0.219 9.692 1.904) 9.880 4.794 ( -5.239 -2.261 -0.537) 5.731 4.873 ( 3.142 -7.228 0.101) 7.882 5.265 ( -1.731 -9.558 0.491) 9.726 5.425 ( -8.247 -0.464 1.529) 8.401 5.601 ( -3.572 0.413 2.924) 4.634 5.669 ( 0.893 2.033 -6.686) 7.045 5.734 ( 5.091 -2.414 -3.244) 6.502 6.073 ( -1.555 -2.734 3.140) 4.445 6.289 ( -3.698 5.958 0.463) 7.028 6.419 ( -0.017 -3.913 5.640) 6.864 6.588 ( 1.017 1.310 -1.396) 2.168 6.855 ( -5.666 -2.893 3.592) 7.306 6.914 ( -0.161 -5.066 -1.666) 5.335 7.291 ( 11.253 -3.264 -0.472) 11.727 7.338 ( -2.221 2.326 -0.001) 3.216 7.434 ( -0.765 -7.506 -1.720) 7.739 7.535 ( 5.185 -0.558 0.847) 5.284 7.759 ( 8.179 -2.405 3.065) 9.059 8.372 ( 0.465 3.252 2.085) 3.891 8.455 ( -1.241 2.214 -2.292) 3.419 8.579 ( 1.659 1.225 -4.015) 4.514 8.648 ( 2.423 -3.986 3.111) 5.607 9.136 ( 4.818 2.378 -5.337) 7.573 9.256 ( 0.089 3.347 0.648) 3.411 9.856 ( 2.272 3.178 0.315) 3.919 10.318 ( -6.347 -1.246 3.845) 7.525 10.453 ( -0.764 4.551 -1.847) 4.970 10.624 ( -1.851 -1.616 -0.701) 2.555 10.815 ( -1.224 5.267 -4.218) 6.858 11.007 ( 4.968 0.735 -10.475) 11.617 11.540 ( 0.791 1.642 8.523) 8.715 11.719 ( 0.024 5.025 3.265) 5.992 11.955 ( 0.523 -9.022 2.090) 9.276 12.165 ( -0.694 -5.955 -0.184) 5.999 12.831 ( 4.299 -0.329 2.744) 5.111 12.889 ( 0.512 -0.375 3.161) 3.224 13.400 ( -12.006 3.988 -3.220) 13.054 13.674 ( -6.255 -2.672 2.207) 7.151 13.744 ( -2.664 -0.311 -1.015) 2.868 13.901 ( 8.405 -5.681 -1.517) 10.258 14.163 ( 3.906 7.115 2.666) 8.544 14.663 ( 11.116 -8.980 -0.858) 14.315 19.018 ( -1.471 8.470 -2.236) 8.883 19.413 ( -4.442 -3.461 -3.474) 6.616 19.889 ( -36.532 12.442 10.218) 39.922 20.088 ( -4.529 5.774 -1.185) 7.434 21.369 ( -7.752 1.975 3.373) 8.681 21.669 ( 2.205 -4.930 5.316) 7.578 21.909 ( 10.333 3.402 -4.845) 11.909 22.403 ( 36.723 -14.757 -8.580) 40.497 23.566 ( 1.898 2.009 -2.089) 3.465 23.747 ( 1.871 -2.874 1.472) 3.732 24.250 ( -1.167 1.066 -2.488) 2.947 24.379 ( 6.359 -2.361 -3.833) 7.792 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 12.820 20.894 10.179) 26.543 1.838 ( 11.641 22.682 0.730) 25.505 2.349 ( 5.071 4.300 -1.914) 6.918 2.561 ( 12.526 18.398 -3.951) 22.606 2.823 ( 2.206 -3.138 5.523) 6.724 2.921 ( 5.456 -7.771 -4.312) 10.428 3.109 ( 1.144 -3.860 -0.057) 4.026 3.290 ( -4.769 -4.218 -4.357) 7.715 3.425 ( 7.152 11.872 -1.938) 13.995 3.543 ( 3.726 -1.855 2.484) 4.847 3.718 ( 2.077 -1.496 -2.037) 3.271 3.802 ( 2.908 -4.969 1.289) 5.899 3.975 ( 4.557 -2.032 1.472) 5.202 4.265 ( 6.671 2.550 0.557) 7.163 4.339 ( 6.566 10.696 -2.913) 12.885 4.398 ( 5.206 3.942 -1.555) 6.712 4.632 ( 9.932 3.587 2.225) 10.792 4.727 ( 5.117 -0.874 -0.855) 5.261 4.875 ( 5.913 -5.697 -0.000) 8.211 4.926 ( 7.933 1.522 -0.438) 8.089 5.199 ( -5.492 -6.730 4.424) 9.748 5.346 ( 1.514 -1.597 -1.143) 2.480 5.550 ( -2.488 1.513 2.992) 4.175 5.683 ( 1.940 1.570 -3.563) 4.350 5.835 ( 5.545 -3.665 -0.952) 6.714 6.053 ( -1.674 -1.705 3.938) 4.606 6.219 ( -4.033 2.644 -3.338) 5.865 6.446 ( 0.288 -3.703 5.222) 6.408 6.536 ( -5.451 1.920 -1.070) 5.877 6.794 ( -5.034 -3.644 2.846) 6.835 6.887 ( 1.198 -7.017 -1.548) 7.285 7.293 ( -3.875 2.931 3.147) 5.789 7.386 ( -1.436 -6.712 -3.364) 7.644 7.466 ( 6.522 -5.818 -0.538) 8.757 7.662 ( 5.660 1.315 -0.466) 5.830 7.847 ( 0.040 -2.875 3.713) 4.696 8.370 ( -1.774 3.298 1.539) 4.048 8.432 ( -0.445 3.842 -0.727) 3.935 8.570 ( -0.151 0.300 -4.261) 4.274 8.706 ( 1.520 -3.698 3.214) 5.130 9.209 ( 3.661 3.381 -4.649) 6.815 9.283 ( 3.044 1.827 -1.167) 3.737 9.919 ( 3.947 1.098 0.825) 4.179 10.196 ( -6.695 1.847 2.805) 7.490 10.444 ( 0.911 4.783 -3.541) 6.020 10.552 ( -5.294 -1.403 0.437) 5.494 10.821 ( 2.000 8.946 -1.492) 9.287 11.009 ( -0.660 5.708 -10.714) 12.157 11.584 ( 0.613 1.954 7.667) 7.935 11.740 ( 1.175 4.458 2.396) 5.196 11.985 ( 0.686 -10.766 3.353) 11.297 12.171 ( 2.104 -6.113 0.178) 6.467 12.862 ( -1.607 0.526 2.214) 2.786 12.919 ( 0.485 -2.736 1.135) 3.001 13.210 ( -5.922 5.647 -1.310) 8.287 13.525 ( -7.565 -0.990 1.821) 7.844 13.678 ( -3.710 0.634 -1.398) 4.015 14.076 ( 9.417 -12.310 -1.744) 15.597 14.273 ( 5.036 7.022 2.918) 9.121 14.846 ( 7.651 -9.391 -0.553) 12.125 18.947 ( -6.570 8.619 -2.118) 11.043 19.199 ( -13.081 12.011 -3.368) 18.075 19.467 ( -10.722 -1.638 6.900) 12.855 19.983 ( -5.912 -2.313 -0.138) 6.350 21.287 ( -2.311 4.391 2.647) 5.625 21.776 ( 6.794 -6.652 3.077) 9.994 22.075 ( 7.561 8.378 -2.273) 11.512 22.922 ( 20.591 -16.084 -5.315) 26.664 23.590 ( 0.934 1.373 -2.244) 2.792 23.808 ( 3.837 -4.418 2.489) 6.359 24.219 ( -1.199 2.928 -4.987) 5.906 24.495 ( 6.533 -3.414 -3.658) 8.229 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 10.896 16.705 9.898) 22.265 1.983 ( 4.961 19.409 3.007) 20.257 2.436 ( -0.948 5.478 -4.216) 6.978 2.536 ( 0.987 15.773 -5.765) 16.822 2.872 ( -1.924 -2.276 0.901) 3.114 2.968 ( 1.164 -6.698 -2.994) 7.428 3.134 ( -2.852 -5.232 4.004) 7.180 3.200 ( -0.692 -7.958 -2.908) 8.501 3.496 ( -2.362 1.279 0.560) 2.744 3.677 ( 8.549 11.614 0.894) 14.449 3.753 ( 1.946 0.087 -0.991) 2.185 3.885 ( 5.138 -2.254 0.295) 5.619 4.166 ( 11.995 -6.819 -2.562) 14.034 4.359 ( 3.515 7.731 5.283) 10.001 4.391 ( 2.708 0.943 -3.394) 4.443 4.454 ( 3.031 10.991 -2.843) 11.750 4.744 ( -1.033 -0.321 1.755) 2.062 4.887 ( 1.460 -7.675 -3.714) 8.651 5.021 ( 17.738 -1.496 1.240) 17.844 5.071 ( 1.528 -2.184 2.350) 3.554 5.276 ( 13.276 1.943 1.175) 13.469 5.439 ( 6.226 -0.579 0.231) 6.257 5.527 ( -0.357 0.826 1.165) 1.472 5.723 ( 3.506 1.086 0.306) 3.683 5.918 ( 2.765 -2.717 1.517) 4.163 6.035 ( -1.879 -0.806 3.641) 4.175 6.076 ( -9.304 2.670 -6.508) 11.664 6.426 ( -4.805 0.842 -0.141) 4.880 6.444 ( -2.601 -3.938 2.573) 5.375 6.673 ( -5.140 -4.770 0.493) 7.030 6.984 ( 7.715 -6.895 1.111) 10.407 7.189 ( -7.102 5.665 2.882) 9.531 7.333 ( -3.953 -8.975 -5.593) 11.290 7.550 ( 1.929 -8.472 1.037) 8.750 7.700 ( -0.804 4.554 -2.298) 5.164 7.841 ( -0.457 -0.712 4.353) 4.434 8.330 ( -1.937 0.247 -0.488) 2.013 8.421 ( -1.113 5.139 1.230) 5.401 8.564 ( 0.880 -2.181 -3.336) 4.081 8.732 ( 0.596 -1.433 2.282) 2.760 9.253 ( 2.040 5.955 -0.656) 6.329 9.335 ( 2.320 0.834 -2.664) 3.630 9.996 ( 3.008 -0.276 1.821) 3.527 10.108 ( -2.548 1.279 0.105) 2.853 10.436 ( -3.379 0.230 -2.630) 4.288 10.476 ( 0.058 5.460 1.218) 5.594 10.858 ( 2.079 10.517 -1.126) 10.780 10.947 ( -2.688 9.579 -4.689) 10.998 11.606 ( 0.041 3.662 3.453) 5.033 11.770 ( 1.173 4.352 1.008) 4.619 11.984 ( -1.123 -9.441 1.880) 9.692 12.232 ( 2.816 -7.183 1.300) 7.824 12.813 ( -2.329 0.866 -0.586) 2.553 12.906 ( -1.607 -3.347 0.085) 3.714 13.175 ( 1.450 5.307 0.289) 5.509 13.419 ( -4.463 0.699 1.317) 4.706 13.609 ( -2.718 1.053 -1.005) 3.083 14.220 ( 5.816 -15.954 -1.328) 17.033 14.346 ( 1.776 7.685 2.059) 8.152 14.947 ( 3.308 -8.068 -0.283) 8.725 18.771 ( -8.290 11.374 0.167) 14.075 19.074 ( -1.344 8.585 -3.090) 9.222 19.342 ( -5.408 -7.154 3.639) 9.678 19.885 ( -3.799 -9.297 -0.562) 10.059 21.277 ( 0.089 7.363 1.557) 7.526 21.915 ( 6.243 -8.123 0.999) 10.293 22.170 ( 2.782 12.194 -0.341) 12.512 23.194 ( 10.003 -13.460 -2.630) 16.975 23.584 ( -0.889 1.489 -0.954) 1.979 23.898 ( 4.251 -7.181 2.842) 8.816 24.170 ( -2.154 6.267 -4.889) 8.236 24.588 ( 3.870 -3.401 -1.866) 5.479 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.000 17.199 0.000) 17.199 2.130 ( -0.000 11.049 -0.000) 11.049 2.265 ( 0.000 17.248 0.000) 17.248 2.699 ( 0.000 10.692 -0.000) 10.692 2.751 ( -0.000 0.766 0.000) 0.766 2.996 ( 0.000 -8.188 0.000) 8.188 3.065 ( -0.000 -6.532 0.000) 6.532 3.221 ( 0.000 -7.954 0.000) 7.954 3.453 ( 0.000 -1.660 0.000) 1.660 3.755 ( 0.000 9.924 0.000) 9.924 3.772 ( 0.000 2.216 -0.000) 2.216 3.938 ( 0.000 1.946 0.000) 1.946 4.292 ( 0.000 -10.987 0.000) 10.987 4.412 ( 0.000 0.109 0.000) 0.109 4.445 ( 0.000 5.350 0.000) 5.350 4.477 ( -0.000 10.754 -0.000) 10.754 4.704 ( 0.000 -3.096 0.000) 3.096 4.881 ( 0.000 -0.799 -0.000) 0.799 5.121 ( 0.000 -4.227 0.000) 4.227 5.216 ( 0.000 -2.373 0.000) 2.373 5.442 ( 0.000 6.574 -0.000) 6.574 5.497 ( -0.000 -4.267 -0.000) 4.267 5.536 ( 0.000 0.893 0.000) 0.893 5.846 ( 0.000 6.256 0.000) 6.256 5.861 ( -0.000 -1.386 -0.000) 1.386 5.945 ( 0.000 -2.297 -0.000) 2.297 6.025 ( 0.000 1.337 0.000) 1.337 6.380 ( 0.000 0.026 0.000) 0.026 6.394 ( 0.000 -3.766 -0.000) 3.766 6.639 ( 0.000 -5.672 0.000) 5.672 7.093 ( 0.000 3.504 -0.000) 3.504 7.161 ( -0.000 -10.158 -0.000) 10.158 7.197 ( 0.000 -3.233 0.000) 3.233 7.558 ( 0.000 -9.540 0.000) 9.540 7.688 ( 0.000 4.514 -0.000) 4.514 7.847 ( 0.000 1.793 0.000) 1.793 8.308 ( 0.000 -1.255 0.000) 1.255 8.408 ( 0.000 4.587 0.000) 4.587 8.571 ( 0.000 -2.915 0.000) 2.915 8.742 ( 0.000 -0.679 -0.000) 0.679 9.274 ( 0.000 6.419 0.000) 6.419 9.351 ( 0.000 1.391 -0.000) 1.391 10.022 ( 0.000 2.669 0.000) 2.669 10.097 ( 0.000 -3.992 -0.000) 3.992 10.385 ( 0.000 2.349 0.000) 2.349 10.489 ( 0.000 4.938 0.000) 4.938 10.889 ( 0.000 12.414 -0.000) 12.414 10.897 ( -0.000 10.133 0.000) 10.133 11.611 ( 0.000 4.449 0.000) 4.449 11.783 ( 0.000 4.372 0.000) 4.372 11.973 ( 0.000 -8.660 0.000) 8.660 12.261 ( 0.000 -6.949 0.000) 6.949 12.793 ( 0.000 0.562 -0.000) 0.562 12.884 ( 0.000 -3.621 0.000) 3.621 13.207 ( 0.000 4.988 0.000) 4.988 13.368 ( 0.000 1.171 0.000) 1.171 13.581 ( 0.000 1.099 0.000) 1.099 14.276 ( 0.000 -18.678 0.000) 18.678 14.363 ( 0.000 9.943 0.000) 9.943 14.977 ( 0.000 -7.363 0.000) 7.363 18.690 ( 0.000 10.744 0.000) 10.744 19.062 ( -0.000 7.411 0.000) 7.411 19.292 ( 0.000 -8.371 -0.000) 8.371 19.846 ( 0.000 -11.789 0.000) 11.789 21.283 ( 0.000 8.525 0.000) 8.525 21.983 ( 0.000 -9.886 -0.000) 9.886 22.191 ( 0.000 14.703 0.000) 14.703 23.289 ( 0.000 -12.992 0.000) 12.992 23.568 ( 0.000 2.149 -0.000) 2.149 23.955 ( 0.000 -11.313 0.000) 11.313 24.131 ( 0.000 10.729 0.000) 10.729 24.623 ( 0.000 -3.258 -0.000) 3.258 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 24.692 0.000) 24.692 1.894 ( 0.000 27.520 0.000) 27.520 2.111 ( 0.000 -14.624 0.000) 14.624 2.404 ( 0.000 -18.694 0.000) 18.694 2.466 ( 0.000 10.483 0.000) 10.483 2.636 ( 0.000 -3.748 0.000) 3.748 3.056 ( 0.000 11.629 0.000) 11.629 3.338 ( 0.000 -11.780 0.000) 11.780 3.533 ( 0.000 9.423 0.000) 9.423 3.643 ( 0.000 5.918 0.000) 5.918 3.666 ( 0.000 -3.163 0.000) 3.163 3.799 ( 0.000 0.480 0.000) 0.480 3.926 ( 0.000 -1.061 0.000) 1.061 3.939 ( 0.000 -5.190 0.000) 5.190 4.300 ( 0.000 2.947 0.000) 2.947 4.326 ( 0.000 7.415 0.000) 7.415 4.360 ( 0.000 4.624 0.000) 4.624 4.513 ( 0.000 -13.025 0.000) 13.025 4.816 ( 0.000 -0.160 0.000) 0.160 4.924 ( 0.000 -5.088 0.000) 5.088 5.138 ( 0.000 6.591 0.000) 6.591 5.399 ( 0.000 -13.686 0.000) 13.686 5.577 ( 0.000 3.919 0.000) 3.919 5.649 ( 0.000 -2.440 0.000) 2.440 5.836 ( 0.000 6.938 0.000) 6.938 5.975 ( 0.000 -6.223 0.000) 6.223 6.373 ( 0.000 -0.624 0.000) 0.624 6.379 ( 0.000 -0.386 0.000) 0.386 6.676 ( 0.000 6.214 0.000) 6.214 6.790 ( 0.000 -5.105 0.000) 5.105 7.059 ( 0.000 7.771 0.000) 7.771 7.158 ( 0.000 5.643 0.000) 5.643 7.266 ( 0.000 -8.770 0.000) 8.770 7.323 ( 0.000 -7.435 0.000) 7.435 7.518 ( 0.000 2.652 0.000) 2.652 7.577 ( 0.000 -1.960 0.000) 1.960 8.420 ( 0.000 2.830 0.000) 2.830 8.466 ( 0.000 -1.633 0.000) 1.633 8.550 ( 0.000 1.511 0.000) 1.511 8.597 ( 0.000 -2.538 0.000) 2.538 9.185 ( 0.000 4.782 0.000) 4.782 9.268 ( 0.000 -2.316 0.000) 2.316 9.995 ( 0.000 10.741 0.000) 10.741 10.228 ( 0.000 -10.249 0.000) 10.249 10.549 ( 0.000 3.714 0.000) 3.714 10.615 ( 0.000 -2.251 0.000) 2.251 10.902 ( 0.000 1.953 0.000) 1.953 10.932 ( 0.000 -0.363 0.000) 0.363 11.605 ( 0.000 5.659 0.000) 5.659 11.748 ( 0.000 -6.935 0.000) 6.935 11.876 ( 0.000 5.948 0.000) 5.948 12.030 ( 0.000 -7.617 0.000) 7.617 12.812 ( 0.000 2.669 0.000) 2.669 12.861 ( 0.000 -1.763 0.000) 1.763 13.634 ( 0.000 1.201 0.000) 1.201 13.657 ( 0.000 -0.320 0.000) 0.320 13.770 ( 0.000 -0.144 0.000) 0.144 13.785 ( 0.000 -1.007 0.000) 1.007 14.248 ( 0.000 5.379 0.000) 5.379 14.374 ( 0.000 -6.548 0.000) 6.548 19.212 ( 0.000 7.545 0.000) 7.545 19.346 ( 0.000 -5.426 0.000) 5.426 20.280 ( 0.000 5.756 0.000) 5.756 20.365 ( 0.000 -2.617 0.000) 2.617 21.569 ( 0.000 2.402 0.000) 2.402 21.647 ( 0.000 -4.660 0.000) 4.660 21.762 ( 0.000 1.009 0.000) 1.009 21.775 ( 0.000 -0.305 0.000) 0.305 23.608 ( 0.000 3.095 0.000) 3.095 23.672 ( 0.000 -2.948 0.000) 2.948 24.284 ( 0.000 -0.251 0.000) 0.251 24.284 ( 0.000 -0.242 0.000) 0.242 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 7.557 22.313 4.663) 24.015 2.006 ( 9.963 19.260 -0.450) 21.689 2.201 ( 9.394 -9.008 -0.317) 13.019 2.492 ( 8.363 -17.808 -2.439) 19.825 2.597 ( 11.300 7.900 0.787) 13.810 2.720 ( 7.506 -0.335 3.104) 8.129 3.133 ( 4.927 9.135 -0.775) 10.408 3.312 ( -3.183 -5.990 -1.610) 6.972 3.514 ( 0.836 9.313 -1.835) 9.529 3.595 ( 0.025 3.448 -4.013) 5.291 3.652 ( -1.296 -1.912 -4.556) 5.108 3.728 ( -3.733 -1.041 2.778) 4.768 3.919 ( 1.892 1.559 3.748) 4.478 4.057 ( 5.278 -11.182 0.047) 12.365 4.320 ( 0.742 5.082 0.962) 5.225 4.372 ( 7.621 -0.488 -3.802) 8.530 4.473 ( 12.045 8.705 3.993) 15.388 4.624 ( 6.683 -7.586 4.824) 11.202 4.774 ( -3.850 1.919 -1.092) 4.438 4.935 ( 1.448 -6.069 -1.073) 6.331 5.097 ( -3.162 4.313 0.590) 5.380 5.307 ( -6.719 -10.346 0.413) 12.343 5.594 ( 1.307 2.844 -3.175) 4.458 5.661 ( 1.718 -2.137 -6.757) 7.292 5.841 ( 0.720 6.993 1.253) 7.141 5.979 ( -0.210 -5.962 2.916) 6.641 6.343 ( -2.988 0.957 0.700) 3.214 6.376 ( -0.740 -1.652 3.171) 3.651 6.671 ( -0.849 5.349 -0.314) 5.425 6.783 ( -2.010 -5.340 1.087) 5.809 6.924 ( -6.949 8.192 2.598) 11.051 7.158 ( -5.632 -12.313 1.871) 13.668 7.295 ( 7.006 2.889 -0.242) 7.582 7.379 ( 2.307 -3.801 0.597) 4.486 7.592 ( 7.126 5.250 0.500) 8.865 7.694 ( 7.808 -4.046 0.713) 8.822 8.450 ( 2.451 3.557 0.844) 4.401 8.485 ( 1.654 0.649 -4.719) 5.043 8.556 ( 1.070 -1.351 0.548) 1.808 8.584 ( -1.260 -2.785 -0.105) 3.059 9.214 ( 3.205 4.292 -2.219) 5.798 9.283 ( 1.632 -1.443 -0.827) 2.330 9.991 ( -0.422 9.368 0.372) 9.385 10.199 ( -2.942 -9.171 0.719) 9.658 10.541 ( -0.710 3.748 -0.474) 3.844 10.599 ( -1.785 -1.604 1.104) 2.642 10.918 ( 2.653 4.424 -1.582) 5.395 10.990 ( 5.273 -2.218 -4.041) 7.004 11.611 ( 0.272 5.244 3.095) 6.096 11.753 ( 0.325 -7.513 1.156) 7.608 11.863 ( -1.061 6.324 2.052) 6.732 12.019 ( -0.759 -7.649 0.563) 7.707 12.848 ( 2.685 1.522 1.319) 3.357 12.877 ( 1.013 -1.001 1.922) 2.392 13.489 ( -9.684 4.586 -1.778) 10.862 13.590 ( -7.656 -4.847 0.096) 9.062 13.760 ( -0.903 1.711 -0.671) 2.048 13.811 ( 1.994 -3.142 -1.158) 3.897 14.320 ( 6.622 7.648 0.965) 10.162 14.484 ( 9.057 -8.160 -0.498) 12.201 19.187 ( -2.344 7.312 -2.016) 7.938 19.318 ( -2.643 -5.328 -1.843) 6.226 20.076 ( -24.837 6.002 4.310) 25.913 20.145 ( -13.752 -0.398 0.800) 13.781 21.437 ( -5.328 4.600 5.172) 8.735 21.552 ( -1.470 -5.984 5.735) 8.417 22.010 ( 17.739 6.185 -6.877) 20.006 22.166 ( 26.606 -8.917 -7.798) 29.124 23.620 ( 1.165 2.970 -0.442) 3.220 23.684 ( 1.136 -3.090 0.580) 3.343 24.283 ( 0.998 1.956 -0.670) 2.295 24.329 ( 3.760 -2.356 -1.042) 4.557 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 8.438 18.755 8.180) 22.133 2.166 ( 5.820 4.128 3.005) 7.742 2.422 ( 11.926 4.257 -4.488) 13.435 2.640 ( 6.865 -12.376 -4.933) 14.988 2.806 ( 7.698 1.192 3.708) 8.627 2.854 ( 3.876 2.485 2.821) 5.399 3.095 ( -5.906 4.806 -3.099) 8.220 3.215 ( -6.378 -4.319 -2.912) 8.235 3.588 ( 2.015 6.032 -0.111) 6.361 3.685 ( 13.744 9.210 -4.746) 17.211 3.698 ( 4.545 -4.280 -1.239) 6.365 3.750 ( 5.438 4.540 2.713) 7.586 3.934 ( -0.500 0.037 2.511) 2.561 4.143 ( 5.469 -13.740 -0.814) 14.811 4.462 ( 11.324 5.107 0.790) 12.448 4.557 ( 12.278 -1.443 -3.553) 12.863 4.675 ( -2.079 2.909 -0.810) 3.666 4.698 ( 7.755 6.094 3.521) 10.473 4.742 ( 2.666 -1.896 0.549) 3.317 4.965 ( 0.165 -10.670 1.271) 10.747 5.109 ( 7.271 6.340 1.365) 9.743 5.260 ( 3.606 -6.500 0.018) 7.433 5.590 ( -0.984 3.328 -0.865) 3.577 5.665 ( 0.873 -2.813 -5.063) 5.857 5.879 ( 2.744 4.815 1.172) 5.665 5.982 ( -0.439 -4.610 3.174) 5.614 6.280 ( -3.250 3.695 -1.478) 5.137 6.369 ( -0.637 -4.238 1.641) 4.589 6.603 ( -6.635 4.102 1.211) 7.894 6.702 ( -7.216 -5.267 1.878) 9.129 6.876 ( 1.136 6.826 1.740) 7.135 7.100 ( -1.054 -12.965 1.014) 13.047 7.386 ( -0.359 0.980 1.421) 1.764 7.406 ( 2.352 -0.984 -1.342) 2.881 7.721 ( 5.164 3.506 0.982) 6.318 7.791 ( 1.530 -2.938 2.335) 4.052 8.450 ( -2.484 4.138 -3.714) 6.090 8.514 ( 2.567 3.732 0.920) 4.623 8.534 ( -2.516 -2.748 -3.931) 5.416 8.612 ( 2.580 -4.770 3.237) 6.316 9.283 ( 4.553 3.345 -3.335) 6.561 9.322 ( 2.759 0.175 -1.265) 3.040 9.988 ( 0.063 5.828 1.016) 5.916 10.133 ( -3.923 -6.617 1.204) 7.786 10.522 ( -0.997 3.224 -1.676) 3.768 10.562 ( -2.158 0.026 1.386) 2.565 10.983 ( 4.128 6.479 -1.867) 7.906 11.065 ( 3.622 -0.745 -5.986) 7.036 11.640 ( 1.343 3.992 4.926) 6.482 11.769 ( 0.711 -8.109 2.996) 8.673 11.867 ( 0.991 6.568 1.704) 6.858 12.024 ( 1.295 -7.682 0.818) 7.834 12.878 ( -0.844 0.767 1.320) 1.744 12.891 ( -0.397 -0.583 0.410) 0.816 13.331 ( -5.509 5.960 0.080) 8.116 13.453 ( -5.676 -5.240 1.301) 7.834 13.725 ( -2.070 3.954 -1.894) 4.848 13.850 ( 2.575 -8.261 -2.143) 8.914 14.455 ( 6.336 9.171 0.940) 11.186 14.649 ( 7.621 -9.361 -0.400) 12.078 19.111 ( -5.017 7.105 -2.255) 8.985 19.239 ( -4.507 -4.739 -2.783) 7.107 19.621 ( -21.184 12.332 4.071) 24.848 19.856 ( -15.114 -9.279 1.297) 17.783 21.423 ( 1.373 8.222 3.637) 9.094 21.608 ( 4.516 -8.915 3.739) 10.670 22.298 ( 13.572 12.601 -4.845) 19.143 22.591 ( 19.295 -15.195 -5.958) 25.272 23.640 ( 0.874 3.222 -0.517) 3.378 23.717 ( 1.975 -4.061 0.675) 4.566 24.308 ( 1.705 4.901 -1.339) 5.359 24.410 ( 4.655 -4.619 -0.989) 6.632 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 7.325 13.915 8.302) 17.782 2.258 ( 3.116 4.259 3.728) 6.461 2.558 ( 3.317 6.673 -6.070) 9.611 2.708 ( 2.586 -6.961 -4.701) 8.789 2.858 ( -0.311 6.930 -0.507) 6.955 2.918 ( 1.193 0.151 2.431) 2.712 3.012 ( -1.405 -3.525 2.732) 4.676 3.076 ( -5.605 -4.993 -4.775) 8.896 3.596 ( -3.636 10.710 1.901) 11.469 3.757 ( 3.553 0.312 -0.291) 3.578 3.795 ( 3.491 -1.590 -0.330) 3.851 3.929 ( 0.480 -13.958 -1.123) 14.011 4.010 ( 11.660 13.369 0.494) 17.746 4.270 ( 6.426 -9.954 -0.632) 11.865 4.568 ( 0.293 9.294 2.370) 9.596 4.682 ( 1.504 8.629 -2.824) 9.203 4.713 ( 0.688 -2.321 -2.043) 3.168 4.794 ( 9.321 -1.887 -5.588) 11.030 4.943 ( 11.747 -3.847 3.066) 12.736 4.976 ( 4.572 -6.127 5.168) 9.228 5.333 ( 11.651 3.378 -0.480) 12.140 5.402 ( 7.793 -3.050 -0.084) 8.369 5.571 ( -0.274 4.600 1.439) 4.828 5.684 ( 3.006 -4.638 0.141) 5.529 5.929 ( 1.241 1.373 -0.310) 1.876 5.987 ( 0.142 -3.281 2.549) 4.157 6.210 ( -3.243 10.020 -3.150) 10.992 6.372 ( 0.375 -3.993 0.214) 4.016 6.459 ( -7.536 2.078 1.664) 7.992 6.545 ( -7.941 -6.691 0.682) 10.407 6.939 ( 4.106 3.093 1.580) 5.377 7.088 ( -1.535 -9.940 -0.282) 10.062 7.322 ( -5.125 3.892 -0.104) 6.436 7.408 ( -2.284 -4.907 -0.330) 5.423 7.774 ( 0.301 2.464 -0.049) 2.483 7.814 ( 1.437 -1.619 3.281) 3.931 8.380 ( -3.102 3.966 -2.908) 5.815 8.467 ( -2.903 -3.299 -2.652) 5.133 8.559 ( 1.659 4.409 0.892) 4.794 8.662 ( 1.567 -4.653 2.164) 5.365 9.351 ( 3.191 3.004 -2.231) 4.918 9.370 ( 2.260 1.190 -0.736) 2.658 10.000 ( 0.788 1.764 1.222) 2.287 10.068 ( -2.950 -3.903 0.629) 4.932 10.491 ( -1.533 3.776 -0.635) 4.125 10.540 ( -0.405 0.027 -0.222) 0.463 11.045 ( 2.660 6.468 -1.625) 7.180 11.088 ( 0.618 2.765 -3.126) 4.219 11.681 ( 1.451 3.823 2.929) 5.030 11.791 ( 0.379 -6.766 2.621) 7.265 11.902 ( 1.782 6.668 0.706) 6.938 12.066 ( 2.284 -8.328 0.913) 8.683 12.837 ( -2.444 1.228 -0.479) 2.776 12.862 ( -2.096 -1.319 -0.583) 2.545 13.288 ( 0.066 5.429 1.526) 5.640 13.388 ( -2.270 -3.565 1.779) 4.585 13.680 ( -1.749 6.413 -1.809) 6.889 13.889 ( 1.911 -13.495 -1.534) 13.716 14.550 ( 3.247 10.149 0.528) 10.669 14.758 ( 3.883 -9.680 -0.198) 10.431 18.989 ( -6.297 9.151 -0.635) 11.126 19.153 ( -3.109 -6.038 -2.685) 7.303 19.344 ( -9.235 11.872 2.802) 15.300 19.631 ( -8.128 -13.940 0.260) 16.139 21.474 ( 2.268 10.787 1.917) 11.188 21.706 ( 4.102 -11.022 1.830) 11.902 22.481 ( 6.753 16.868 -2.336) 18.319 22.853 ( 9.682 -18.015 -3.122) 20.688 23.647 ( 0.096 4.319 -0.214) 4.325 23.755 ( 1.546 -5.909 0.329) 6.116 24.333 ( 1.158 7.961 -1.016) 8.109 24.485 ( 3.098 -6.307 -0.553) 7.049 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.000 11.945 0.000) 11.945 2.313 ( -0.000 3.681 0.000) 3.681 2.549 ( 0.000 10.529 0.000) 10.529 2.725 ( 0.000 -5.296 0.000) 5.296 2.873 ( 0.000 -0.759 0.000) 0.759 2.925 ( 0.000 3.874 0.000) 3.874 2.955 ( 0.000 -1.253 0.000) 1.253 3.061 ( 0.000 -6.637 0.000) 6.637 3.540 ( 0.000 12.816 0.000) 12.816 3.803 ( 0.000 1.380 0.000) 1.380 3.830 ( 0.000 -1.392 0.000) 1.392 3.920 ( 0.000 -18.065 -0.000) 18.065 4.129 ( 0.000 9.998 0.000) 9.998 4.333 ( 0.000 -7.476 0.000) 7.476 4.584 ( 0.000 6.934 0.000) 6.934 4.665 ( 0.000 2.194 0.000) 2.194 4.727 ( 0.000 6.494 0.000) 6.494 4.854 ( 0.000 -3.090 0.000) 3.090 5.047 ( 0.000 -1.001 -0.000) 1.001 5.118 ( 0.000 -6.203 0.000) 6.203 5.448 ( 0.000 -0.492 -0.000) 0.492 5.470 ( 0.000 -2.404 0.000) 2.404 5.588 ( 0.000 6.747 0.000) 6.747 5.754 ( 0.000 -8.012 -0.000) 8.012 5.914 ( 0.000 2.972 -0.000) 2.972 5.996 ( 0.000 -3.672 0.000) 3.672 6.165 ( 0.000 16.136 0.000) 16.136 6.361 ( 0.000 0.035 0.000) 0.035 6.384 ( 0.000 0.036 -0.000) 0.036 6.478 ( 0.000 -10.811 0.000) 10.811 7.016 ( 0.000 -2.832 0.000) 2.832 7.034 ( 0.000 -3.771 0.000) 3.771 7.255 ( 0.000 4.533 -0.000) 4.533 7.372 ( 0.000 -7.267 0.000) 7.267 7.776 ( 0.000 3.658 0.000) 3.658 7.838 ( 0.000 -2.141 0.000) 2.141 8.341 ( 0.000 3.790 0.000) 3.790 8.430 ( 0.000 -3.597 0.000) 3.597 8.577 ( 0.000 4.488 0.000) 4.488 8.681 ( 0.000 -4.539 -0.000) 4.539 9.380 ( 0.000 3.046 0.000) 3.046 9.392 ( 0.000 1.484 -0.000) 1.484 10.023 ( 0.000 -0.958 0.000) 0.958 10.029 ( 0.000 -1.962 -0.000) 1.962 10.474 ( 0.000 4.701 0.000) 4.701 10.537 ( 0.000 -0.649 0.000) 0.649 11.071 ( 0.000 5.415 -0.000) 5.415 11.084 ( 0.000 4.765 0.000) 4.765 11.702 ( 0.000 4.035 0.000) 4.035 11.798 ( 0.000 -5.569 0.000) 5.569 11.923 ( 0.000 6.880 0.000) 6.880 12.093 ( 0.000 -8.638 0.000) 8.638 12.812 ( 0.000 1.029 -0.000) 1.029 12.836 ( 0.000 -1.423 0.000) 1.423 13.303 ( 0.000 3.981 0.000) 3.981 13.365 ( 0.000 -1.703 0.000) 1.703 13.659 ( 0.000 7.517 0.000) 7.517 13.906 ( 0.000 -15.613 0.000) 15.613 14.581 ( 0.000 10.555 0.000) 10.555 14.795 ( 0.000 -9.698 0.000) 9.698 18.920 ( 0.000 10.466 0.000) 10.466 19.117 ( 0.000 -8.581 0.000) 8.581 19.265 ( 0.000 12.085 -0.000) 12.085 19.555 ( 0.000 -14.899 0.000) 14.899 21.501 ( 0.000 11.687 0.000) 11.687 21.752 ( 0.000 -11.895 0.000) 11.895 22.541 ( 0.000 18.408 0.000) 18.408 22.940 ( 0.000 -19.004 0.000) 19.004 23.647 ( 0.000 5.046 0.000) 5.046 23.771 ( 0.000 -6.892 0.000) 6.892 24.343 ( 0.000 9.331 -0.000) 9.331 24.515 ( 0.000 -6.903 -0.000) 6.903 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -8.300 0.000 21.862) 23.385 0.573 ( -2.789 0.000 27.774) 27.913 1.083 ( -2.168 0.000 51.725) 51.770 2.017 ( 5.956 0.000 -4.047) 7.201 2.695 ( -1.415 0.000 8.363) 8.482 2.970 ( -3.764 0.000 2.439) 4.485 3.230 ( -0.240 0.000 -2.107) 2.120 3.318 ( 0.633 0.000 2.846) 2.916 3.525 ( -10.631 0.000 -0.311) 10.635 3.633 ( -1.220 0.000 0.991) 1.572 3.684 ( -0.466 0.000 0.207) 0.510 3.753 ( 7.199 0.000 -1.949) 7.459 3.794 ( 4.944 0.000 -1.695) 5.226 4.013 ( -1.613 0.000 -4.297) 4.589 4.104 ( 2.348 0.000 -0.748) 2.464 4.218 ( -7.202 0.000 -1.851) 7.436 4.468 ( 3.540 0.000 2.884) 4.566 4.511 ( 20.170 0.000 4.490) 20.664 4.549 ( 4.023 0.000 -4.456) 6.003 5.014 ( -6.918 0.000 1.333) 7.045 5.333 ( -0.119 0.000 -6.490) 6.492 5.426 ( 2.314 0.000 -3.552) 4.239 5.474 ( 0.365 0.000 0.430) 0.564 5.837 ( -2.810 0.000 12.898) 13.201 5.954 ( 7.756 0.000 5.358) 9.427 6.000 ( -0.493 0.000 -1.934) 1.996 6.209 ( -2.812 0.000 3.183) 4.247 6.482 ( 4.851 0.000 -10.278) 11.366 6.691 ( -1.886 0.000 -1.305) 2.293 6.706 ( -2.517 0.000 -2.082) 3.267 7.121 ( -20.590 0.000 0.432) 20.594 7.135 ( 1.064 0.000 1.696) 2.002 7.416 ( 3.716 0.000 -4.311) 5.692 7.534 ( 10.004 0.000 -3.845) 10.718 7.648 ( 1.099 0.000 1.065) 1.531 7.659 ( -5.220 0.000 2.675) 5.866 8.206 ( 2.091 0.000 -4.896) 5.324 8.280 ( 2.963 0.000 0.068) 2.964 8.312 ( -3.304 0.000 -2.391) 4.078 8.485 ( -2.749 0.000 -4.771) 5.506 9.204 ( -8.320 0.000 1.717) 8.495 9.222 ( -8.622 0.000 2.939) 9.109 9.707 ( 0.386 0.000 -2.643) 2.671 9.817 ( 0.991 0.000 -3.161) 3.312 10.281 ( 0.253 0.000 -2.764) 2.775 10.328 ( 1.678 0.000 -2.661) 3.146 10.773 ( -5.573 0.000 0.002) 5.573 10.923 ( -0.286 0.000 0.614) 0.677 11.677 ( -1.217 0.000 7.127) 7.230 12.143 ( 1.185 0.000 -0.152) 1.195 12.330 ( -0.041 0.000 3.189) 3.189 12.537 ( -19.396 0.000 -0.694) 19.408 12.917 ( 0.472 0.000 3.685) 3.715 13.508 ( -13.781 0.000 -5.378) 14.793 13.654 ( 14.009 0.000 2.696) 14.266 13.789 ( -5.929 0.000 -0.192) 5.933 13.793 ( -12.681 0.000 -0.067) 12.682 13.923 ( 13.311 0.000 -0.267) 13.314 14.119 ( -15.801 0.000 3.032) 16.090 14.585 ( 84.078 0.000 -1.516) 84.092 18.609 ( 1.496 0.000 2.101) 2.579 18.788 ( -2.120 0.000 0.004) 2.120 19.728 ( -4.325 0.000 3.110) 5.327 20.399 ( 46.743 0.000 -3.601) 46.881 21.418 ( -2.713 0.000 1.290) 3.004 21.659 ( -38.786 0.000 -2.997) 38.902 21.665 ( 6.349 0.000 -0.597) 6.377 21.852 ( -17.279 0.000 -1.085) 17.313 23.682 ( -0.313 0.000 0.289) 0.426 23.759 ( 0.467 0.000 -1.518) 1.588 24.188 ( -49.186 0.000 1.929) 49.224 24.300 ( 1.463 0.000 -0.180) 1.475 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 16.141 0.000 20.965) 26.459 1.095 ( 30.731 0.000 19.734) 36.522 1.429 ( 30.701 0.000 32.334) 44.588 2.277 ( 18.143 0.000 2.381) 18.299 2.688 ( -1.624 0.000 9.485) 9.623 2.953 ( -0.338 0.000 0.099) 0.352 3.183 ( -8.436 0.000 0.761) 8.471 3.207 ( -1.440 0.000 -3.785) 4.049 3.420 ( -1.441 0.000 -6.960) 7.108 3.709 ( 9.142 0.000 -0.337) 9.149 3.759 ( 7.363 0.000 0.291) 7.369 3.876 ( 3.510 0.000 -4.010) 5.329 3.939 ( -3.228 0.000 -4.153) 5.260 3.973 ( -9.665 0.000 -3.611) 10.318 4.081 ( 16.916 0.000 -0.465) 16.922 4.092 ( -2.802 0.000 0.723) 2.894 4.499 ( -10.010 0.000 6.851) 12.130 4.546 ( 3.523 0.000 3.154) 4.728 4.589 ( 2.744 0.000 2.979) 4.050 5.045 ( 7.045 0.000 -1.555) 7.215 5.275 ( -3.460 0.000 -2.023) 4.008 5.458 ( 2.600 0.000 -4.148) 4.896 5.476 ( 0.020 0.000 -0.367) 0.368 5.815 ( -3.958 0.000 13.422) 13.993 6.025 ( 2.872 0.000 -2.098) 3.557 6.103 ( 4.008 0.000 6.218) 7.398 6.164 ( -2.533 0.000 1.428) 2.908 6.548 ( 4.906 0.000 -6.411) 8.073 6.647 ( -2.900 0.000 -3.789) 4.771 6.716 ( 3.701 0.000 -3.525) 5.111 7.123 ( -1.843 0.000 3.293) 3.774 7.161 ( 4.076 0.000 -6.019) 7.269 7.394 ( -3.530 0.000 -1.285) 3.757 7.667 ( 2.357 0.000 1.375) 2.729 7.784 ( 8.922 0.000 1.820) 9.106 7.841 ( 14.865 0.000 -26.329) 30.235 8.159 ( -3.931 0.000 -4.813) 6.214 8.307 ( 3.223 0.000 -4.378) 5.437 8.328 ( 1.834 0.000 0.800) 2.001 8.622 ( 16.520 0.000 -15.793) 22.855 9.049 ( -4.028 0.000 5.700) 6.980 9.253 ( 3.244 0.000 1.073) 3.417 9.739 ( 3.723 0.000 -2.366) 4.411 9.813 ( -0.193 0.000 -2.831) 2.838 10.304 ( 2.899 0.000 -2.736) 3.986 10.352 ( 1.521 0.000 -2.427) 2.864 10.676 ( -4.893 0.000 0.183) 4.896 10.885 ( -3.896 0.000 0.224) 3.902 11.666 ( -1.937 0.000 6.694) 6.969 12.178 ( -18.688 0.000 17.098) 25.329 12.206 ( 5.160 0.000 0.417) 5.177 12.334 ( -0.541 0.000 3.835) 3.873 12.942 ( 0.724 0.000 4.706) 4.761 13.208 ( -15.352 0.000 -4.172) 15.909 13.386 ( -11.842 0.000 8.024) 14.304 13.715 ( -19.247 0.000 4.439) 19.752 13.770 ( -3.482 0.000 0.881) 3.592 13.894 ( 9.807 0.000 1.053) 9.864 14.277 ( 16.332 0.000 -3.461) 16.695 15.332 ( 4.225 0.000 -9.390) 10.296 18.611 ( -2.225 0.000 3.772) 4.379 18.767 ( 0.244 0.000 -1.850) 1.866 19.714 ( 2.478 0.000 -0.591) 2.547 20.158 ( -25.055 0.000 19.964) 32.037 21.329 ( -5.157 0.000 0.147) 5.159 21.774 ( 2.746 0.000 -9.639) 10.022 21.862 ( 11.632 0.000 4.482) 12.466 22.572 ( 70.425 0.000 -57.938) 91.195 23.631 ( -11.382 0.000 10.987) 15.819 23.684 ( 0.446 0.000 -0.142) 0.468 23.863 ( 4.186 0.000 2.965) 5.130 24.342 ( 2.563 0.000 1.031) 2.763 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 17.422 0.000 15.231) 23.141 1.529 ( 13.342 0.000 34.316) 36.818 2.167 ( 21.779 0.000 6.800) 22.816 2.490 ( -1.896 0.000 9.288) 9.479 2.742 ( 10.442 0.000 7.790) 13.027 2.973 ( 7.536 0.000 -4.881) 8.979 3.126 ( -3.385 0.000 3.016) 4.534 3.196 ( 3.163 0.000 -5.300) 6.172 3.404 ( 4.567 0.000 -11.217) 12.111 3.709 ( -9.825 0.000 -4.319) 10.733 3.805 ( -3.526 0.000 0.246) 3.534 3.879 ( -1.741 0.000 1.732) 2.456 3.971 ( 12.197 0.000 -0.932) 12.233 3.989 ( 8.396 0.000 -5.870) 10.244 4.064 ( 4.942 0.000 4.580) 6.738 4.340 ( -6.731 0.000 1.825) 6.974 4.517 ( 23.623 0.000 -0.132) 23.624 4.643 ( 6.823 0.000 2.886) 7.408 4.767 ( 13.777 0.000 -0.128) 13.777 5.161 ( 4.219 0.000 -0.575) 4.258 5.208 ( -3.044 0.000 1.422) 3.359 5.486 ( 1.404 0.000 -0.375) 1.453 5.500 ( 2.576 0.000 -2.580) 3.646 5.777 ( -3.731 0.000 12.424) 12.972 6.064 ( 0.043 0.000 -1.786) 1.786 6.083 ( -3.740 0.000 -0.487) 3.772 6.191 ( 2.155 0.000 4.629) 5.106 6.582 ( -1.352 0.000 -3.687) 3.927 6.598 ( 0.387 0.000 -2.974) 2.999 6.700 ( -4.874 0.000 -3.566) 6.040 7.152 ( 1.344 0.000 4.236) 4.445 7.173 ( 0.800 0.000 -4.991) 5.055 7.304 ( -3.001 0.000 -2.025) 3.621 7.704 ( 0.838 0.000 0.940) 1.259 7.846 ( -3.617 0.000 -20.560) 20.876 7.855 ( -3.542 0.000 2.047) 4.091 8.143 ( 5.352 0.000 -5.546) 7.707 8.371 ( 4.563 0.000 -4.217) 6.213 8.395 ( 5.554 0.000 -0.152) 5.556 8.767 ( 1.831 0.000 -4.857) 5.190 9.033 ( 0.614 0.000 -1.028) 1.198 9.335 ( 4.526 0.000 -1.420) 4.743 9.777 ( -0.674 0.000 -1.037) 1.237 9.855 ( 7.094 0.000 -3.362) 7.850 10.361 ( 3.569 0.000 -2.452) 4.330 10.370 ( 1.296 0.000 -3.060) 3.323 10.584 ( -4.567 0.000 -1.137) 4.706 10.778 ( -7.084 0.000 -0.452) 7.098 11.644 ( -2.634 0.000 6.540) 7.051 11.953 ( -10.891 0.000 17.171) 20.333 12.276 ( -0.256 0.000 -0.183) 0.315 12.378 ( 4.946 0.000 5.164) 7.150 12.928 ( -11.810 0.000 -3.476) 12.311 12.981 ( 2.034 0.000 4.690) 5.112 13.298 ( -1.930 0.000 3.534) 4.027 13.398 ( -14.291 0.000 3.259) 14.658 13.689 ( -4.906 0.000 0.933) 4.994 14.037 ( 5.144 0.000 -0.630) 5.183 14.543 ( 12.170 0.000 -2.774) 12.482 15.252 ( -6.267 0.000 -1.262) 6.393 18.559 ( -4.032 0.000 4.356) 5.936 18.784 ( 2.252 0.000 -3.149) 3.871 19.802 ( 6.622 0.000 -2.543) 7.093 19.892 ( -11.766 0.000 12.700) 17.313 21.242 ( -3.919 0.000 0.179) 3.924 21.774 ( 0.820 0.000 -8.213) 8.254 22.093 ( 9.839 0.000 7.358) 12.286 23.274 ( 24.469 0.000 -36.771) 44.168 23.550 ( -1.856 0.000 7.560) 7.784 23.695 ( 0.714 0.000 -0.684) 0.988 24.047 ( 14.452 0.000 -7.133) 16.117 24.393 ( 2.210 0.000 1.367) 2.598 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 5.078 0.000 12.812) 13.782 1.864 ( 10.492 0.000 27.797) 29.711 2.173 ( -12.686 0.000 12.230) 17.621 2.444 ( 0.611 0.000 2.897) 2.960 2.958 ( -13.654 0.000 2.860) 13.950 3.072 ( 13.990 0.000 -8.564) 16.403 3.137 ( 8.379 0.000 -0.863) 8.424 3.303 ( 7.500 0.000 0.556) 7.520 3.474 ( 2.482 0.000 -4.499) 5.138 3.636 ( 4.322 0.000 -4.278) 6.081 3.703 ( -5.767 0.000 1.044) 5.861 3.813 ( -5.046 0.000 3.143) 5.945 4.115 ( 3.483 0.000 2.000) 4.017 4.192 ( 8.606 0.000 0.578) 8.625 4.232 ( 6.538 0.000 -6.257) 9.050 4.374 ( 13.788 0.000 5.318) 14.778 4.769 ( 9.014 0.000 2.890) 9.466 4.959 ( 18.175 0.000 -3.443) 18.498 5.001 ( 8.063 0.000 -2.970) 8.592 5.160 ( -3.850 0.000 1.333) 4.075 5.201 ( 1.000 0.000 0.705) 1.223 5.525 ( -0.336 0.000 2.975) 2.994 5.543 ( 5.392 0.000 -1.549) 5.610 5.778 ( 1.103 0.000 7.612) 7.692 5.970 ( -8.340 0.000 -0.202) 8.342 5.998 ( -5.982 0.000 0.169) 5.984 6.247 ( 2.456 0.000 3.811) 4.533 6.496 ( -6.418 0.000 -6.060) 8.827 6.614 ( 5.040 0.000 -3.000) 5.865 6.621 ( -2.800 0.000 0.932) 2.951 7.014 ( -12.676 0.000 0.264) 12.678 7.184 ( 2.636 0.000 -8.114) 8.532 7.381 ( 6.491 0.000 -0.711) 6.530 7.650 ( -8.625 0.000 -15.445) 17.690 7.722 ( 0.878 0.000 1.154) 1.450 7.755 ( -5.081 0.000 0.108) 5.082 8.243 ( 4.879 0.000 -4.347) 6.535 8.444 ( 4.248 0.000 -4.076) 5.887 8.513 ( 5.734 0.000 -2.472) 6.244 8.734 ( -3.865 0.000 5.844) 7.007 9.045 ( 0.939 0.000 -1.925) 2.142 9.402 ( 3.094 0.000 1.254) 3.338 9.753 ( -1.206 0.000 -1.447) 1.883 10.005 ( 8.616 0.000 -2.177) 8.887 10.380 ( 0.889 0.000 -5.267) 5.341 10.411 ( 1.911 0.000 -2.601) 3.228 10.506 ( -2.885 0.000 0.179) 2.890 10.630 ( -7.205 0.000 -0.685) 7.237 11.609 ( -3.037 0.000 6.957) 7.591 11.854 ( -4.985 0.000 12.470) 13.430 12.239 ( -2.532 0.000 -0.311) 2.551 12.448 ( -1.014 0.000 3.139) 3.299 12.794 ( -0.444 0.000 -1.222) 1.301 13.045 ( 2.873 0.000 4.214) 5.100 13.207 ( -6.905 0.000 3.058) 7.552 13.276 ( -1.883 0.000 1.184) 2.225 13.607 ( -3.573 0.000 1.008) 3.713 14.092 ( 1.384 0.000 -2.006) 2.437 14.717 ( 6.905 0.000 -1.645) 7.098 15.139 ( -4.798 0.000 -2.180) 5.270 18.499 ( -3.419 0.000 3.749) 5.074 18.829 ( 3.397 0.000 -3.502) 4.879 19.734 ( -8.668 0.000 8.521) 12.155 19.924 ( 6.420 0.000 -2.048) 6.739 21.183 ( -2.269 0.000 -0.006) 2.269 21.762 ( 0.602 0.000 -8.245) 8.267 22.253 ( 3.868 0.000 7.885) 8.782 23.487 ( 9.694 0.000 -15.641) 18.402 23.553 ( -0.707 0.000 4.600) 4.654 23.705 ( 0.673 0.000 -0.987) 1.195 24.307 ( 14.729 0.000 -9.219) 17.376 24.425 ( 0.587 0.000 0.627) 0.859 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -6.564 0.000 9.099) 11.220 1.814 ( -18.823 0.000 10.483) 21.545 2.208 ( 7.934 0.000 25.539) 26.743 2.507 ( -2.566 0.000 -2.401) 3.514 2.756 ( -1.050 0.000 4.038) 4.172 3.209 ( 5.587 0.000 -8.663) 10.309 3.263 ( 4.223 0.000 3.105) 5.242 3.412 ( 3.072 0.000 1.884) 3.603 3.526 ( 4.565 0.000 2.301) 5.112 3.612 ( -4.433 0.000 -0.489) 4.460 3.734 ( -3.164 0.000 0.680) 3.236 3.756 ( 7.807 0.000 -1.293) 7.913 4.085 ( -3.517 0.000 -0.943) 3.642 4.265 ( -0.404 0.000 3.071) 3.097 4.308 ( -1.392 0.000 -5.089) 5.276 4.613 ( 2.499 0.000 7.085) 7.513 4.947 ( 4.077 0.000 -0.725) 4.141 4.993 ( -9.162 0.000 1.001) 9.217 5.003 ( -4.034 0.000 -4.195) 5.820 5.171 ( 1.605 0.000 -5.448) 5.680 5.270 ( 5.911 0.000 2.761) 6.524 5.505 ( -3.026 0.000 5.793) 6.536 5.632 ( 1.861 0.000 -2.542) 3.151 5.795 ( -4.175 0.000 -0.368) 4.192 5.846 ( -7.446 0.000 -0.970) 7.509 5.906 ( 5.875 0.000 5.868) 8.304 6.306 ( 1.942 0.000 4.048) 4.490 6.438 ( 0.847 0.000 -5.584) 5.647 6.577 ( -0.814 0.000 0.652) 1.043 6.672 ( -0.244 0.000 -1.501) 1.520 6.814 ( -4.342 0.000 -3.319) 5.465 7.220 ( 4.254 0.000 -13.035) 13.712 7.442 ( -0.281 0.000 -1.623) 1.647 7.486 ( -2.468 0.000 -9.713) 10.021 7.707 ( 0.309 0.000 0.326) 0.449 7.798 ( 6.971 0.000 2.790) 7.508 8.275 ( -0.117 0.000 -4.835) 4.837 8.501 ( 2.622 0.000 -2.953) 3.949 8.539 ( -2.561 0.000 -1.454) 2.945 8.690 ( -2.681 0.000 4.448) 5.194 9.058 ( 1.092 0.000 -0.631) 1.261 9.491 ( 5.640 0.000 5.224) 7.687 9.728 ( -0.630 0.000 -2.166) 2.256 10.114 ( 1.033 0.000 -0.359) 1.094 10.360 ( -0.950 0.000 -5.756) 5.834 10.385 ( -1.966 0.000 -5.875) 6.195 10.503 ( 2.670 0.000 0.843) 2.800 10.579 ( 2.472 0.000 1.273) 2.780 11.579 ( -2.378 0.000 7.142) 7.527 11.823 ( -2.211 0.000 10.445) 10.676 12.197 ( -1.255 0.000 -1.457) 1.923 12.403 ( -2.321 0.000 0.281) 2.338 12.838 ( 2.720 0.000 2.352) 3.596 13.089 ( -0.425 0.000 4.161) 4.183 13.148 ( -0.550 0.000 3.239) 3.285 13.229 ( -2.830 0.000 -1.076) 3.027 13.576 ( 0.197 0.000 1.376) 1.390 14.090 ( -0.532 0.000 -3.141) 3.186 14.797 ( 1.825 0.000 -0.080) 1.826 15.057 ( -2.818 0.000 -4.632) 5.422 18.459 ( -1.668 0.000 2.639) 3.122 18.883 ( 2.982 0.000 -2.425) 3.843 19.617 ( -5.625 0.000 4.881) 7.447 20.016 ( 3.086 0.000 0.340) 3.105 21.157 ( -0.297 0.000 -0.537) 0.613 21.749 ( 0.794 0.000 -8.289) 8.327 22.271 ( -4.351 0.000 5.831) 7.275 23.525 ( -3.192 0.000 1.602) 3.572 23.602 ( 5.933 0.000 -6.204) 8.584 23.715 ( 0.566 0.000 -0.699) 0.899 24.417 ( -1.332 0.000 -0.764) 1.536 24.545 ( 12.522 0.000 -3.723) 13.063 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -11.235 0.000 6.966) 13.219 1.462 ( -21.308 0.000 15.931) 26.605 2.318 ( -9.805 0.000 -2.740) 10.181 2.393 ( 3.218 0.000 17.129) 17.429 2.923 ( 10.811 0.000 2.587) 11.116 3.241 ( -8.818 0.000 4.649) 9.969 3.308 ( -1.334 0.000 6.208) 6.350 3.339 ( -9.169 0.000 0.303) 9.174 3.577 ( 4.593 0.000 -4.946) 6.750 3.667 ( 8.702 0.000 5.418) 10.251 3.718 ( 1.292 0.000 -1.782) 2.201 3.883 ( 3.272 0.000 4.423) 5.501 3.990 ( -6.642 0.000 -1.763) 6.872 4.148 ( -7.499 0.000 -6.647) 10.021 4.227 ( -5.305 0.000 2.878) 6.036 4.528 ( -10.779 0.000 5.369) 12.043 4.663 ( -16.215 0.000 -3.006) 16.492 4.901 ( -6.739 0.000 -3.477) 7.583 4.944 ( -18.532 0.000 -4.807) 19.145 5.085 ( 2.410 0.000 -0.603) 2.484 5.323 ( -1.994 0.000 1.277) 2.368 5.456 ( -3.413 0.000 3.357) 4.787 5.568 ( -7.785 0.000 0.029) 7.785 5.760 ( 0.727 0.000 4.254) 4.316 5.779 ( 2.011 0.000 -7.453) 7.720 6.103 ( 9.529 0.000 6.079) 11.302 6.299 ( -3.405 0.000 3.282) 4.729 6.467 ( 4.210 0.000 -4.184) 5.936 6.612 ( -3.026 0.000 -1.813) 3.527 6.648 ( 7.299 0.000 -0.802) 7.343 6.845 ( 6.126 0.000 -5.830) 8.457 7.249 ( 2.063 0.000 -5.844) 6.197 7.388 ( -3.712 0.000 -1.729) 4.095 7.497 ( 5.295 0.000 -9.943) 11.265 7.746 ( 2.918 0.000 -0.262) 2.929 7.985 ( 10.424 0.000 0.330) 10.429 8.219 ( -3.512 0.000 -5.253) 6.319 8.428 ( -8.462 0.000 -0.924) 8.512 8.512 ( -0.934 0.000 -1.466) 1.738 8.656 ( -0.763 0.000 0.627) 0.988 9.090 ( 2.238 0.000 0.854) 2.395 9.639 ( 7.517 0.000 5.151) 9.112 9.719 ( 0.490 0.000 -2.977) 3.017 10.028 ( -7.468 0.000 -0.662) 7.497 10.327 ( -0.683 0.000 -4.470) 4.522 10.365 ( 0.568 0.000 -5.262) 5.293 10.604 ( 7.482 0.000 0.649) 7.510 10.681 ( 6.661 0.000 1.179) 6.765 11.564 ( -1.522 0.000 8.001) 8.145 11.833 ( -0.397 0.000 13.125) 13.131 12.185 ( 0.450 0.000 -2.616) 2.654 12.375 ( -1.371 0.000 0.253) 1.394 12.905 ( 4.502 0.000 3.715) 5.837 13.047 ( -4.677 0.000 4.498) 6.489 13.161 ( -3.896 0.000 -4.526) 5.971 13.199 ( 4.865 0.000 2.774) 5.600 13.624 ( 3.902 0.000 2.259) 4.509 14.054 ( -2.331 0.000 -3.907) 4.549 14.785 ( -3.566 0.000 1.808) 3.998 14.991 ( -2.578 0.000 -8.367) 8.755 18.454 ( 0.523 0.000 1.540) 1.626 18.914 ( 0.359 0.000 0.093) 0.371 19.563 ( -0.643 0.000 0.962) 1.157 20.034 ( -1.875 0.000 3.593) 4.053 21.172 ( 2.223 0.000 -1.045) 2.456 21.742 ( 1.218 0.000 -8.127) 8.218 22.135 ( -10.594 0.000 2.210) 10.822 23.429 ( -7.315 0.000 0.257) 7.319 23.681 ( 4.030 0.000 -4.106) 5.753 23.720 ( -0.037 0.000 -0.080) 0.088 24.375 ( -2.407 0.000 -1.986) 3.121 24.768 ( 11.336 0.000 1.678) 11.460 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -18.544 0.000 10.600) 21.360 1.135 ( -19.098 0.000 25.941) 32.213 2.185 ( -3.944 0.000 -5.402) 6.689 2.298 ( -28.338 0.000 10.610) 30.259 2.783 ( -20.011 0.000 9.288) 22.061 3.102 ( 6.700 0.000 3.032) 7.354 3.240 ( -7.977 0.000 7.403) 10.883 3.329 ( -0.303 0.000 1.249) 1.285 3.661 ( 2.045 0.000 -2.928) 3.571 3.783 ( 8.158 0.000 -2.659) 8.580 3.789 ( -6.469 0.000 5.677) 8.607 3.897 ( 2.137 0.000 4.367) 4.862 3.908 ( 0.802 0.000 -2.363) 2.496 4.071 ( -0.452 0.000 -6.356) 6.372 4.079 ( -5.281 0.000 3.598) 6.390 4.266 ( -16.473 0.000 0.054) 16.473 4.460 ( -20.453 0.000 -2.854) 20.651 4.494 ( -9.243 0.000 -4.150) 10.132 4.712 ( -10.623 0.000 -0.871) 10.659 5.154 ( 5.795 0.000 -2.351) 6.254 5.277 ( -3.173 0.000 1.780) 3.639 5.410 ( -1.419 0.000 -0.161) 1.428 5.454 ( -2.535 0.000 0.968) 2.714 5.806 ( 1.099 0.000 8.498) 8.569 5.815 ( 3.190 0.000 -8.820) 9.379 6.175 ( -3.898 0.000 3.530) 5.259 6.250 ( -2.144 0.000 2.511) 3.302 6.506 ( 0.193 0.000 -3.201) 3.207 6.629 ( 4.691 0.000 -0.074) 4.691 6.777 ( 4.555 0.000 -5.886) 7.443 6.941 ( 5.994 0.000 -2.099) 6.350 7.280 ( 2.658 0.000 -0.964) 2.827 7.324 ( -1.638 0.000 -2.279) 2.806 7.571 ( 4.422 0.000 -9.050) 10.073 7.782 ( -0.126 0.000 -1.179) 1.185 8.138 ( 5.637 0.000 -2.426) 6.137 8.145 ( -1.292 0.000 -5.292) 5.447 8.235 ( -10.281 0.000 -3.117) 10.743 8.464 ( -3.341 0.000 -0.522) 3.382 8.672 ( 1.582 0.000 -2.800) 3.216 9.143 ( 2.697 0.000 1.366) 3.023 9.727 ( 1.312 0.000 -3.411) 3.655 9.771 ( 4.360 0.000 -2.688) 5.122 9.888 ( -6.168 0.000 -1.739) 6.408 10.309 ( 0.193 0.000 -3.883) 3.888 10.346 ( -1.097 0.000 -3.733) 3.890 10.774 ( 9.105 0.000 -0.339) 9.111 10.807 ( 5.770 0.000 0.728) 5.816 11.583 ( 0.964 0.000 10.832) 10.875 11.923 ( 5.969 0.000 26.203) 26.874 12.184 ( -0.069 0.000 -3.339) 3.340 12.338 ( -2.503 0.000 2.597) 3.607 12.970 ( -4.368 0.000 4.483) 6.259 13.040 ( -6.791 0.000 -7.977) 10.476 13.071 ( 11.854 0.000 3.403) 12.333 13.350 ( 10.405 0.000 0.974) 10.451 13.717 ( 4.490 0.000 2.756) 5.268 13.965 ( -6.025 0.000 -4.148) 7.315 14.667 ( -9.772 0.000 3.679) 10.442 14.879 ( -6.520 0.000 -14.562) 15.955 18.489 ( 2.625 0.000 0.835) 2.754 18.894 ( -2.640 0.000 1.984) 3.303 19.604 ( 4.886 0.000 -0.413) 4.903 19.967 ( -6.549 0.000 6.010) 8.888 21.239 ( 5.086 0.000 -0.766) 5.144 21.746 ( 1.779 0.000 -7.816) 8.016 21.914 ( -11.890 0.000 -1.199) 11.950 23.238 ( -12.600 0.000 -4.898) 13.518 23.711 ( -0.840 0.000 0.359) 0.913 23.729 ( 2.183 0.000 -3.042) 3.745 24.323 ( -2.032 0.000 -2.314) 3.079 24.980 ( 9.790 0.000 0.341) 9.796 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -19.542 0.000 19.477) 27.591 0.911 ( -16.142 0.000 33.325) 37.028 1.441 ( -52.925 0.000 20.594) 56.791 2.069 ( -6.268 0.000 -6.535) 9.055 2.677 ( -1.066 0.000 7.129) 7.208 3.082 ( -8.434 0.000 5.401) 10.015 3.221 ( 5.017 0.000 3.495) 6.115 3.280 ( -4.240 0.000 -0.350) 4.255 3.652 ( -5.269 0.000 2.797) 5.965 3.656 ( -0.916 0.000 0.816) 1.227 3.792 ( -9.396 0.000 1.478) 9.512 3.865 ( -12.222 0.000 -4.168) 12.913 3.953 ( 8.288 0.000 -0.989) 8.347 3.985 ( -20.708 0.000 -3.279) 20.966 4.049 ( 2.142 0.000 -2.113) 3.009 4.134 ( 9.533 0.000 -1.210) 9.609 4.195 ( 8.096 0.000 4.185) 9.114 4.447 ( -1.379 0.000 -0.803) 1.596 4.551 ( -5.090 0.000 -0.044) 5.090 5.180 ( -8.224 0.000 3.416) 8.905 5.278 ( 7.103 0.000 -5.382) 8.911 5.405 ( 1.024 0.000 -2.831) 3.011 5.459 ( 1.122 0.000 1.776) 2.100 5.839 ( -1.022 0.000 11.043) 11.090 5.846 ( 3.068 0.000 -3.126) 4.380 6.069 ( -5.750 0.000 0.317) 5.759 6.236 ( -0.715 0.000 2.760) 2.851 6.466 ( -1.101 0.000 -6.552) 6.643 6.707 ( 2.313 0.000 0.020) 2.314 6.761 ( -2.958 0.000 -4.355) 5.265 7.065 ( 5.788 0.000 0.532) 5.812 7.330 ( 3.856 0.000 -4.568) 5.978 7.342 ( 3.294 0.000 -0.156) 3.297 7.576 ( -1.717 0.000 -8.724) 8.891 7.717 ( -5.396 0.000 -0.591) 5.429 7.990 ( -15.713 0.000 -9.609) 18.418 8.158 ( 3.561 0.000 -5.205) 6.306 8.221 ( 3.704 0.000 -1.530) 4.007 8.392 ( -3.946 0.000 -0.752) 4.017 8.638 ( -5.075 0.000 -7.122) 8.745 9.189 ( 1.511 0.000 1.095) 1.866 9.671 ( -15.737 0.000 -17.137) 23.266 9.729 ( -0.794 0.000 -2.865) 2.973 9.810 ( -0.509 0.000 -2.999) 3.042 10.307 ( -1.628 0.000 -2.979) 3.395 10.310 ( 1.082 0.000 -3.189) 3.367 10.862 ( -0.633 0.000 -4.992) 5.032 10.894 ( 3.021 0.000 0.647) 3.089 11.653 ( 1.582 0.000 8.541) 8.687 12.155 ( -1.589 0.000 -1.793) 2.395 12.320 ( -0.356 0.000 3.248) 3.268 12.487 ( 50.287 0.000 55.906) 75.195 12.847 ( -10.117 0.000 -9.843) 14.115 12.929 ( -1.050 0.000 5.813) 5.907 13.352 ( 15.725 0.000 3.127) 16.033 13.589 ( 13.510 0.000 -2.883) 13.814 13.796 ( 2.656 0.000 2.988) 3.998 13.799 ( -8.991 0.000 -2.828) 9.425 14.435 ( -15.847 0.000 4.816) 16.563 14.592 ( -19.820 0.000 -20.879) 28.788 18.552 ( 3.454 0.000 0.908) 3.571 18.839 ( -3.317 0.000 1.666) 3.712 19.767 ( 13.665 0.000 5.608) 14.771 19.840 ( -8.108 0.000 5.924) 10.042 21.355 ( 6.575 0.000 0.978) 6.647 21.708 ( -8.152 0.000 -3.093) 8.719 21.760 ( 2.059 0.000 -7.532) 7.808 22.849 ( -29.475 0.000 -17.720) 34.391 23.694 ( -0.969 0.000 0.472) 1.078 23.749 ( 0.993 0.000 -2.299) 2.504 24.292 ( -0.435 0.000 -1.564) 1.624 25.012 ( -11.513 0.000 -22.317) 25.112 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -3.372 22.594 13.130) 26.349 1.064 ( -0.948 28.658 21.222) 35.673 1.308 ( -3.319 24.590 35.610) 43.402 2.067 ( 3.807 4.854 -3.766) 7.227 2.741 ( -0.355 2.262 9.938) 10.199 2.951 ( -3.360 -1.690 2.352) 4.436 3.190 ( -0.365 -4.172 -1.619) 4.490 3.373 ( 0.280 4.841 1.802) 5.173 3.523 ( 0.855 -4.568 1.499) 4.883 3.543 ( -11.123 -0.687 -2.722) 11.472 3.736 ( -0.992 1.692 -2.215) 2.959 3.759 ( -0.191 -1.842 -2.965) 3.496 3.853 ( 6.368 3.898 -1.670) 7.651 3.963 ( -1.545 -5.138 -0.499) 5.388 4.071 ( 0.398 2.099 -0.531) 2.201 4.193 ( 8.353 -4.561 8.461) 12.734 4.376 ( -5.146 9.896 -2.272) 11.383 4.551 ( 5.855 1.119 -3.396) 6.860 4.864 ( 3.011 5.259 -8.653) 10.564 4.954 ( -3.805 -5.459 -0.227) 6.658 5.378 ( 0.253 0.901 -6.183) 6.253 5.442 ( 3.097 2.053 -3.555) 5.143 5.472 ( -2.482 1.432 0.446) 2.900 5.769 ( -0.227 -3.833 6.952) 7.942 5.899 ( -0.641 -5.090 4.841) 7.054 6.109 ( 6.790 6.335 0.247) 9.290 6.181 ( -2.456 -2.121 -0.485) 3.281 6.486 ( 3.233 -1.445 -9.377) 10.023 6.627 ( 1.936 -6.015 1.109) 6.416 6.797 ( 3.388 7.092 -6.579) 10.250 7.018 ( -0.229 -4.613 0.883) 4.702 7.163 ( -14.770 -3.858 3.278) 15.614 7.364 ( -0.596 -0.538 -4.536) 4.607 7.429 ( 4.571 -7.023 -0.169) 8.381 7.526 ( 0.202 0.186 1.149) 1.181 7.676 ( 3.979 -2.523 -0.614) 4.751 8.261 ( 3.603 1.195 -6.354) 7.401 8.350 ( 0.136 5.962 -3.327) 6.829 8.479 ( -3.680 -0.558 -4.934) 6.181 8.535 ( 2.028 9.478 -3.957) 10.469 9.174 ( -9.572 -0.990 7.751) 12.357 9.230 ( 0.403 2.480 2.396) 3.472 9.781 ( -0.122 1.870 -2.088) 2.806 10.107 ( 3.663 14.762 -18.109) 23.649 10.347 ( -6.084 9.695 -7.204) 13.524 10.389 ( 3.396 5.143 -2.145) 6.525 10.747 ( -6.300 -1.975 0.626) 6.632 10.920 ( -0.029 -0.438 0.645) 0.780 11.688 ( -1.238 1.186 6.403) 6.628 12.085 ( 1.093 -6.071 3.299) 6.995 12.284 ( -0.834 -4.222 2.182) 4.825 12.346 ( -12.330 -17.799 15.662) 26.723 12.893 ( 1.750 -3.273 4.712) 5.998 13.077 ( 18.369 -22.179 27.634) 39.912 13.520 ( -12.044 1.039 -4.566) 12.922 13.699 ( 14.078 -1.037 3.428) 14.527 13.806 ( -0.623 0.993 0.577) 1.306 13.816 ( -4.655 -0.074 1.274) 4.827 14.079 ( 5.041 1.007 -1.833) 5.458 14.600 ( 7.284 -3.903 -3.891) 9.134 18.864 ( -2.482 7.191 0.245) 7.611 19.351 ( 1.408 25.756 -21.004) 33.265 19.732 ( 2.997 4.348 -1.436) 5.473 20.397 ( 25.015 -0.505 -3.332) 25.241 21.450 ( 11.295 0.929 -5.335) 12.526 21.654 ( 6.860 -0.779 -3.747) 7.855 21.718 ( -26.842 3.566 -1.630) 27.126 21.837 ( -15.791 -1.059 0.095) 15.827 23.604 ( -4.271 -2.513 4.873) 6.950 23.759 ( 2.100 -0.727 -0.497) 2.277 24.252 ( -15.638 2.051 -1.927) 15.890 24.304 ( -4.321 0.317 -0.357) 4.347 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 18.011 21.231 12.165) 30.383 1.293 ( 17.382 17.486 23.437) 34.017 1.605 ( 27.428 18.189 23.279) 40.311 2.274 ( 13.051 0.998 1.537) 13.179 2.802 ( 4.767 6.290 9.941) 12.693 2.940 ( 0.353 -0.986 1.378) 1.730 3.170 ( -2.064 -2.914 -1.583) 3.906 3.235 ( -9.060 5.032 -0.979) 10.410 3.391 ( -2.887 -3.508 -6.142) 7.640 3.584 ( 3.897 -6.674 1.153) 7.814 3.737 ( 3.554 0.261 -2.355) 4.271 3.841 ( 1.046 -0.286 -0.727) 1.306 3.896 ( 1.682 -5.112 -1.881) 5.700 4.028 ( -1.391 1.667 -2.666) 3.438 4.111 ( 14.961 2.394 -0.543) 15.161 4.243 ( -3.696 8.034 1.184) 8.922 4.430 ( 7.550 1.214 2.582) 8.071 4.543 ( -2.097 0.989 -0.792) 2.450 4.743 ( -6.258 6.000 -0.295) 8.675 5.004 ( 6.904 -3.931 -1.356) 8.059 5.340 ( -3.045 4.738 -2.939) 6.353 5.399 ( -2.426 -3.350 -0.691) 4.193 5.492 ( 2.762 0.704 -3.375) 4.418 5.769 ( -2.136 -4.074 11.535) 12.418 5.946 ( 3.700 -8.771 2.285) 9.790 6.121 ( -2.826 -1.969 -2.018) 3.992 6.178 ( -0.200 5.424 3.186) 6.294 6.500 ( 3.108 -0.790 -4.933) 5.884 6.607 ( -2.481 -3.738 -0.490) 4.513 6.842 ( 2.616 5.736 -5.876) 8.618 7.024 ( -4.498 -6.255 1.586) 7.866 7.205 ( 6.884 2.916 -3.158) 8.116 7.371 ( 2.090 -4.415 -2.475) 5.476 7.490 ( 2.224 -9.406 -3.388) 10.242 7.647 ( 12.024 -5.914 -2.144) 13.570 7.783 ( 5.255 -1.693 -3.963) 6.796 8.290 ( -0.534 3.428 -6.051) 6.975 8.326 ( 1.067 3.682 -3.065) 4.908 8.434 ( 0.087 3.563 -3.685) 5.127 8.646 ( 10.301 1.898 -9.917) 14.424 9.076 ( -3.310 2.603 6.440) 7.694 9.253 ( 1.431 1.551 3.091) 3.742 9.802 ( 3.284 2.580 -2.307) 4.771 10.080 ( -1.830 20.338 -12.319) 23.848 10.267 ( 0.017 -0.822 -4.726) 4.797 10.457 ( 4.410 7.433 -2.482) 8.992 10.653 ( -4.372 -1.731 1.040) 4.816 10.884 ( -3.761 -0.151 -0.340) 3.780 11.677 ( -1.795 1.036 6.250) 6.585 12.105 ( -10.297 -5.765 16.954) 20.657 12.181 ( 2.517 -3.485 3.857) 5.776 12.273 ( -1.722 -5.249 1.869) 5.832 12.934 ( 0.982 -0.814 4.548) 4.723 13.160 ( -8.137 -9.774 5.004) 13.667 13.282 ( -10.517 0.924 4.048) 11.307 13.744 ( -10.831 0.836 2.945) 11.256 13.762 ( -4.699 -1.515 0.126) 4.939 13.934 ( 9.627 1.919 -0.605) 9.835 14.188 ( 13.582 -5.472 0.780) 14.664 14.911 ( 14.782 -22.075 -2.666) 26.701 18.817 ( -2.347 6.895 -1.390) 7.415 19.112 ( -16.827 25.182 -8.022) 31.331 19.741 ( -0.846 3.835 -1.150) 4.092 20.156 ( -21.627 -0.036 14.567) 26.075 21.366 ( -7.518 3.107 1.527) 8.277 21.747 ( 6.091 -1.891 -10.601) 12.371 21.844 ( 9.124 -1.884 4.769) 10.466 22.352 ( 53.642 -13.646 -31.541) 63.706 23.551 ( -2.345 -0.154 5.219) 5.724 23.829 ( 5.578 -1.869 -0.531) 5.907 23.991 ( -7.089 13.029 -3.381) 15.213 24.349 ( 3.898 0.402 0.406) 3.940 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 14.794 20.965 12.036) 28.342 1.650 ( 11.932 10.891 31.981) 35.830 2.234 ( 19.577 6.664 3.277) 20.938 2.407 ( -0.697 -2.415 8.241) 8.616 2.904 ( 1.003 7.140 7.483) 10.391 2.959 ( 6.690 -0.957 -0.725) 6.797 3.180 ( -0.157 5.432 -1.929) 5.767 3.199 ( 6.184 0.714 0.270) 6.231 3.337 ( 0.560 -5.919 -7.116) 9.273 3.618 ( 0.909 -3.172 -1.111) 3.482 3.795 ( -0.417 -6.049 1.118) 6.166 3.843 ( 0.368 1.962 -1.432) 2.456 3.931 ( 5.066 -0.101 -2.775) 5.777 4.081 ( 9.719 1.780 -3.960) 10.645 4.212 ( 1.084 10.870 1.944) 11.096 4.280 ( -1.566 -0.541 -1.759) 2.416 4.594 ( 19.094 2.806 1.719) 19.376 4.681 ( 8.019 2.278 -0.167) 8.338 4.778 ( 11.329 2.655 -0.157) 11.637 5.102 ( 2.282 -5.433 0.030) 5.893 5.262 ( -3.409 4.084 1.397) 5.500 5.396 ( 1.963 -5.191 -0.604) 5.583 5.534 ( 2.281 0.916 -2.254) 3.335 5.754 ( -2.563 -1.879 11.238) 11.679 6.015 ( 1.538 -8.875 -0.098) 9.008 6.069 ( -1.489 0.220 -3.451) 3.765 6.174 ( -1.029 0.472 4.597) 4.734 6.474 ( -4.068 -2.226 -4.585) 6.521 6.598 ( 0.515 -2.417 1.346) 2.814 6.797 ( -5.724 3.580 -4.886) 8.334 7.024 ( 3.703 -8.391 -1.407) 9.279 7.231 ( -2.587 4.354 0.901) 5.144 7.350 ( -0.408 2.049 -4.262) 4.746 7.536 ( 1.748 -10.718 -4.033) 11.584 7.795 ( -1.761 -3.390 -1.635) 4.155 7.815 ( 4.668 -2.993 -6.020) 8.185 8.240 ( -0.818 4.799 -6.733) 8.309 8.365 ( 2.698 0.802 -2.690) 3.894 8.455 ( 3.370 3.064 -2.114) 5.022 8.767 ( 3.779 -0.689 -5.283) 6.532 9.069 ( 0.564 3.752 2.201) 4.386 9.310 ( 3.221 -0.118 3.237) 4.568 9.891 ( 6.245 2.832 -1.882) 7.111 9.992 ( -3.462 15.203 -4.555) 16.244 10.280 ( 2.155 -1.743 -5.317) 5.996 10.532 ( 3.802 9.308 -3.564) 10.668 10.576 ( -3.936 -0.185 0.409) 3.961 10.785 ( -5.877 0.678 -2.066) 6.266 11.657 ( -2.350 1.171 5.725) 6.299 11.952 ( -9.002 -0.094 16.018) 18.374 12.230 ( -2.577 -5.026 0.296) 5.656 12.316 ( 6.716 -4.991 4.851) 9.672 12.898 ( -7.889 -0.734 0.134) 7.924 13.036 ( -0.271 0.229 1.431) 1.474 13.163 ( -5.582 -3.487 5.080) 8.314 13.517 ( -9.978 4.837 1.760) 11.227 13.683 ( -4.560 -0.627 0.757) 4.664 14.082 ( 5.814 3.637 -1.307) 6.981 14.438 ( 10.911 -9.462 0.405) 14.448 15.052 ( 2.700 -14.552 -2.585) 15.025 18.726 ( -8.345 10.969 1.267) 13.841 18.879 ( -3.416 9.970 -2.623) 10.860 19.703 ( -4.081 -5.802 4.975) 8.664 19.968 ( -4.053 3.367 3.887) 6.547 21.264 ( -4.248 2.325 1.458) 5.057 21.785 ( 3.099 1.244 -8.386) 9.027 22.057 ( 9.236 -3.178 6.366) 11.659 23.025 ( 26.975 -16.581 -23.655) 39.523 23.547 ( 0.147 1.048 3.061) 3.239 23.905 ( -1.899 12.039 -2.500) 12.442 23.967 ( 9.124 -5.753 -4.596) 11.725 24.435 ( 4.956 2.361 -0.675) 5.531 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 2.575 17.372 12.215) 21.392 1.968 ( 11.306 9.583 26.805) 30.629 2.231 ( -12.541 5.639 7.460) 15.644 2.419 ( 3.737 -0.980 2.511) 4.608 2.936 ( -6.142 -1.243 1.582) 6.463 3.062 ( 3.191 -3.970 -1.294) 5.256 3.195 ( 3.123 4.530 -3.460) 6.500 3.311 ( 5.173 2.344 2.575) 6.236 3.378 ( 4.940 -6.541 -4.057) 9.146 3.648 ( 0.982 1.827 1.548) 2.588 3.727 ( -4.975 0.886 -0.340) 5.065 3.877 ( 3.468 4.200 0.439) 5.464 4.113 ( 10.097 -0.980 -2.365) 10.417 4.214 ( 1.679 2.450 -3.503) 4.592 4.269 ( 6.629 3.557 -2.562) 7.948 4.379 ( 13.549 1.821 5.316) 14.668 4.804 ( 5.880 1.338 3.023) 6.746 4.956 ( 4.416 -2.615 -3.836) 6.407 4.995 ( 15.718 1.498 -2.847) 16.044 5.125 ( 2.473 -4.895 -0.350) 5.496 5.231 ( -0.175 4.842 2.059) 5.264 5.485 ( 7.467 -3.296 -0.619) 8.185 5.552 ( -0.607 0.867 2.575) 2.784 5.775 ( 2.301 0.065 7.325) 7.678 5.939 ( -8.118 -1.813 -4.272) 9.350 6.034 ( -2.509 -0.745 0.629) 2.692 6.181 ( -0.559 -4.749 6.889) 8.386 6.379 ( -3.506 -3.511 -5.561) 7.453 6.585 ( -3.296 -2.804 2.099) 4.809 6.682 ( -2.158 1.006 -4.861) 5.413 7.091 ( -9.635 5.636 0.569) 11.177 7.120 ( 7.004 -5.816 -4.688) 10.240 7.345 ( -1.464 -4.107 -8.072) 9.174 7.537 ( 0.948 -3.308 -3.196) 4.696 7.736 ( -1.742 -1.393 -2.551) 3.389 7.805 ( -3.472 1.537 -2.368) 4.475 8.238 ( 1.994 -0.064 -5.824) 6.156 8.398 ( 1.686 -1.832 -2.976) 3.881 8.538 ( 5.049 0.850 -1.282) 5.279 8.775 ( -1.572 1.946 1.785) 3.073 9.093 ( 1.231 4.874 0.298) 5.036 9.382 ( 3.008 -0.239 4.681) 5.569 9.897 ( -2.738 10.552 -2.339) 11.149 10.053 ( 8.049 2.736 -0.998) 8.559 10.305 ( 1.972 -1.041 -5.110) 5.575 10.490 ( -4.212 -0.075 1.379) 4.433 10.578 ( 0.561 9.706 -3.993) 10.510 10.678 ( -2.901 4.407 -3.141) 6.140 11.624 ( -2.859 1.359 5.725) 6.541 11.868 ( -4.600 1.436 11.919) 12.856 12.174 ( -2.937 -5.956 -0.123) 6.643 12.406 ( 0.074 -3.991 3.267) 5.158 12.788 ( -0.965 -0.006 -0.680) 1.181 13.059 ( -2.747 -7.444 3.128) 8.529 13.105 ( 1.518 4.531 3.587) 5.975 13.385 ( -5.172 4.616 1.147) 7.027 13.608 ( -3.077 0.065 1.011) 3.240 14.148 ( 1.962 5.008 -2.424) 5.899 14.593 ( 5.185 -11.421 0.586) 12.557 15.057 ( -0.251 -6.852 -3.621) 7.754 18.588 ( -5.838 7.841 3.012) 10.229 18.874 ( 2.250 4.258 -3.513) 5.961 19.616 ( -6.517 -8.105 7.083) 12.583 19.961 ( 1.811 0.023 -1.143) 2.142 21.205 ( -2.478 2.852 1.245) 3.978 21.820 ( 3.180 5.303 -8.559) 10.559 22.201 ( 3.158 -4.607 7.217) 9.126 23.330 ( 12.794 -11.007 -10.899) 20.090 23.554 ( -0.652 0.654 1.764) 1.991 23.872 ( -0.724 10.460 -4.554) 11.431 24.131 ( 8.415 -10.205 -1.234) 13.284 24.525 ( 4.907 3.853 -2.880) 6.871 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -6.724 14.721 9.403) 18.717 1.912 ( -18.073 9.176 7.505) 21.614 2.285 ( 9.059 7.281 24.008) 26.673 2.537 ( 1.366 3.305 -1.866) 4.033 2.780 ( -2.904 1.969 4.907) 6.033 3.134 ( 4.409 -5.795 -3.708) 8.172 3.221 ( 0.446 -4.325 1.368) 4.558 3.375 ( 2.077 -2.895 1.670) 3.935 3.489 ( 6.237 -5.728 -0.470) 8.481 3.629 ( -4.846 1.971 1.900) 5.566 3.676 ( 1.491 6.188 -0.469) 6.383 3.921 ( 0.788 4.052 1.122) 4.278 4.176 ( -0.005 8.066 -1.882) 8.283 4.264 ( 0.551 -1.631 -6.924) 7.135 4.338 ( 0.127 4.860 1.419) 5.065 4.596 ( 2.291 -1.257 6.962) 7.436 4.820 ( -8.986 -8.925 -2.092) 12.836 4.945 ( 5.232 -1.476 1.563) 5.656 5.129 ( -4.742 1.728 -3.863) 6.356 5.184 ( 1.451 1.575 -4.087) 4.614 5.274 ( 4.016 4.250 1.490) 6.034 5.522 ( -3.610 -0.414 3.570) 5.094 5.585 ( 0.451 -1.859 -1.442) 2.395 5.778 ( -4.845 -1.727 -0.682) 5.188 5.888 ( 3.445 3.594 1.622) 5.236 5.963 ( -0.298 3.101 3.707) 4.842 6.175 ( -2.176 -10.691 3.302) 11.399 6.351 ( 1.758 -2.450 -3.267) 4.446 6.516 ( -1.508 -3.733 1.613) 4.337 6.698 ( 3.875 -3.900 -6.337) 8.389 6.907 ( -7.255 9.027 -0.509) 11.592 7.221 ( -3.138 -4.641 -9.567) 11.086 7.320 ( 10.743 -2.740 -5.860) 12.540 7.553 ( 0.627 -0.573 -1.754) 1.949 7.726 ( -2.893 0.709 -0.180) 2.984 7.742 ( 2.877 -2.356 -2.728) 4.612 8.247 ( 0.508 -2.130 -5.136) 5.583 8.408 ( -0.166 -3.053 -1.899) 3.600 8.604 ( 1.559 1.341 -0.651) 2.157 8.738 ( -2.690 2.746 1.648) 4.182 9.111 ( 0.605 5.405 0.933) 5.518 9.457 ( 2.850 -1.166 6.618) 7.299 9.859 ( -0.247 9.196 -2.391) 9.505 10.149 ( -0.413 0.534 -0.116) 0.685 10.312 ( 1.062 0.932 -4.355) 4.578 10.455 ( 0.972 -1.395 2.116) 2.714 10.553 ( 0.876 11.436 -6.783) 13.325 10.681 ( 2.831 7.267 -0.957) 7.857 11.590 ( -2.498 1.115 5.779) 6.394 11.839 ( -2.249 1.569 9.990) 10.360 12.129 ( -1.334 -6.172 -1.199) 6.427 12.375 ( -2.264 -2.876 0.517) 3.697 12.821 ( 2.023 -0.974 2.346) 3.247 13.017 ( -1.332 -6.847 1.751) 7.192 13.150 ( -0.338 4.283 4.409) 6.156 13.316 ( -1.598 3.778 -0.262) 4.110 13.584 ( 0.335 0.710 1.624) 1.804 14.152 ( -0.347 5.755 -3.469) 6.729 14.642 ( -0.171 -13.185 0.801) 13.210 15.037 ( -0.444 -2.871 -4.609) 5.448 18.527 ( -1.458 6.255 2.296) 6.821 18.919 ( 3.053 3.339 -2.586) 5.211 19.523 ( -4.691 -7.322 5.232) 10.149 20.000 ( 2.072 -3.252 -0.378) 3.874 21.174 ( -1.064 2.765 0.444) 2.996 21.847 ( 2.219 8.614 -8.320) 12.180 22.209 ( -4.460 -5.636 5.648) 9.141 23.472 ( 2.315 -7.929 -1.784) 8.451 23.538 ( 1.132 0.167 -1.469) 1.862 23.842 ( -0.975 7.377 -4.777) 8.843 24.261 ( 4.684 -9.321 2.248) 10.671 24.609 ( 5.238 2.085 -3.114) 6.440 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -12.219 12.796 10.605) 20.628 1.595 ( -15.484 15.052 9.332) 23.525 2.371 ( -8.590 4.732 -1.502) 9.922 2.494 ( 2.475 9.504 16.718) 19.389 2.910 ( 7.228 -1.045 3.387) 8.050 3.193 ( 1.972 -6.466 -0.687) 6.795 3.227 ( -1.159 -4.799 5.314) 7.253 3.396 ( -10.811 5.123 6.967) 13.845 3.484 ( 0.416 -5.644 -0.478) 5.679 3.596 ( 2.657 -5.735 -0.307) 6.328 3.753 ( 4.612 3.938 1.213) 6.185 3.922 ( -0.821 0.971 0.980) 1.605 4.033 ( -9.913 0.623 -5.729) 11.466 4.239 ( -0.555 10.375 -2.114) 10.603 4.288 ( -7.933 4.283 1.586) 9.154 4.488 ( -11.953 -2.615 4.266) 12.958 4.664 ( -4.791 0.504 -2.994) 5.672 4.927 ( -15.652 -0.983 -6.107) 16.830 5.004 ( -8.170 5.952 -2.021) 10.309 5.088 ( 0.998 0.066 0.412) 1.081 5.244 ( -6.496 -5.376 0.302) 8.437 5.475 ( -2.227 -0.148 2.671) 3.481 5.514 ( -6.456 -1.856 0.068) 6.718 5.721 ( -1.833 -1.072 0.372) 2.156 5.881 ( 2.040 4.530 -2.701) 5.654 6.115 ( 0.128 -7.065 1.493) 7.222 6.145 ( 6.361 -1.765 4.126) 7.784 6.404 ( 3.653 -2.597 -0.966) 4.585 6.539 ( 1.260 -4.558 -0.387) 4.745 6.749 ( 4.384 -5.103 -1.918) 6.996 6.881 ( 4.447 10.902 -7.151) 13.775 7.140 ( -1.758 -7.914 -2.630) 8.523 7.492 ( 5.231 6.040 -5.060) 9.458 7.532 ( 0.585 1.435 -6.080) 6.274 7.702 ( -1.015 -4.461 0.473) 4.599 7.836 ( 7.140 -9.501 -2.221) 12.091 8.230 ( -0.555 -1.644 -5.377) 5.650 8.372 ( -2.810 0.299 -1.552) 3.224 8.590 ( -2.426 3.550 -0.081) 4.301 8.696 ( -1.425 2.114 -0.896) 2.703 9.131 ( 1.190 4.506 2.262) 5.181 9.512 ( 0.355 -4.699 5.701) 7.397 9.879 ( 2.989 7.700 -2.243) 8.559 10.056 ( -6.420 1.506 -1.290) 6.719 10.321 ( 0.498 2.767 -2.981) 4.098 10.523 ( 3.833 1.460 -2.798) 4.965 10.584 ( 4.380 9.123 -0.700) 10.145 10.773 ( 6.887 6.788 -1.231) 9.748 11.567 ( -1.767 0.389 6.646) 6.888 11.843 ( -0.891 0.939 12.110) 12.179 12.118 ( 0.521 -6.211 -2.254) 6.628 12.340 ( -1.945 -3.419 0.511) 3.966 12.859 ( 1.517 -2.759 2.779) 4.199 13.009 ( -0.651 -5.976 -0.082) 6.012 13.116 ( -2.904 4.270 3.910) 6.477 13.335 ( 3.437 5.241 -0.713) 6.308 13.632 ( 3.633 0.694 2.601) 4.522 14.115 ( -2.396 5.808 -4.170) 7.541 14.590 ( -5.627 -14.764 0.569) 15.811 15.004 ( -1.741 -1.547 -5.425) 5.904 18.551 ( 3.710 8.600 1.045) 9.424 18.960 ( 1.375 4.317 -0.065) 4.531 19.487 ( 0.017 -6.143 2.108) 6.495 20.024 ( -0.142 -2.422 1.882) 3.071 21.172 ( 1.043 1.232 -0.666) 1.746 21.850 ( 0.555 9.434 -7.158) 11.855 22.079 ( -9.839 -5.328 1.984) 11.364 23.386 ( -8.335 -4.887 -0.196) 9.664 23.610 ( 4.015 -2.763 -1.338) 5.054 23.805 ( -1.344 3.924 -4.204) 5.906 24.313 ( 0.330 -4.733 1.239) 4.903 24.711 ( 5.658 -4.472 0.871) 7.264 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -16.556 11.855 21.830) 29.853 1.377 ( -13.608 23.832 8.530) 28.739 2.246 ( -4.319 5.483 -3.464) 7.792 2.404 ( -25.611 10.113 10.591) 29.502 2.813 ( -13.720 1.278 5.817) 14.957 3.173 ( -5.457 -4.259 6.301) 9.361 3.185 ( 1.473 6.646 4.235) 8.017 3.267 ( -0.703 -3.766 3.984) 5.527 3.585 ( 1.608 -5.981 -0.360) 6.204 3.642 ( 3.921 -8.967 2.966) 10.226 3.781 ( -0.489 -2.333 0.191) 2.391 3.861 ( -2.360 -2.717 0.126) 3.601 3.966 ( -5.362 -3.349 -4.751) 7.908 4.070 ( -5.055 7.225 -0.227) 8.821 4.189 ( -4.116 9.461 -0.898) 10.356 4.338 ( -5.443 4.023 1.038) 6.848 4.486 ( -23.864 1.968 -3.935) 24.266 4.589 ( -2.319 7.228 -5.376) 9.302 4.789 ( -11.213 6.731 0.824) 13.103 5.155 ( -2.599 -9.762 1.356) 10.192 5.180 ( 6.588 0.491 -3.140) 7.314 5.434 ( -0.952 -2.242 2.346) 3.382 5.439 ( -1.150 2.797 0.264) 3.036 5.700 ( -0.804 -3.010 -1.426) 3.427 5.936 ( 2.691 3.944 0.795) 4.841 6.067 ( -3.171 -9.260 -0.002) 9.788 6.229 ( -0.918 0.480 2.733) 2.922 6.449 ( 0.766 -3.547 -1.246) 3.837 6.581 ( 4.042 -3.999 -0.911) 5.758 6.844 ( 3.053 -6.078 -5.276) 8.608 6.936 ( 3.968 8.435 -2.779) 9.727 7.158 ( 3.891 -5.763 -1.403) 7.094 7.456 ( -2.437 4.589 -1.730) 5.476 7.598 ( 3.624 3.270 -7.389) 8.856 7.650 ( -4.346 -9.699 -0.104) 10.629 7.915 ( -0.919 -13.781 -2.862) 14.105 8.189 ( -0.668 0.781 -6.755) 6.833 8.330 ( -0.217 6.719 -2.104) 7.044 8.541 ( -2.209 5.325 -0.151) 5.767 8.676 ( -0.533 -0.185 -3.396) 3.442 9.169 ( 1.776 3.088 2.617) 4.420 9.493 ( -4.183 -8.087 4.128) 9.997 9.891 ( -3.677 1.204 -1.188) 4.048 10.000 ( 3.990 7.641 -5.778) 10.377 10.323 ( 0.887 3.161 -2.727) 4.268 10.529 ( -0.518 10.451 -5.764) 11.946 10.728 ( 8.185 -0.917 2.517) 8.612 10.897 ( 5.645 6.447 -4.154) 9.522 11.581 ( 1.327 -0.020 10.095) 10.181 11.898 ( 2.396 -2.106 22.260) 22.487 12.119 ( -0.223 -6.375 -2.484) 6.845 12.299 ( -2.353 -3.760 2.348) 5.018 12.873 ( -1.494 -5.268 -0.094) 5.477 12.957 ( -4.794 -3.676 -2.231) 6.440 13.159 ( 7.904 5.301 3.920) 10.293 13.449 ( 8.947 4.930 -0.782) 10.245 13.720 ( 4.230 0.238 2.991) 5.186 14.028 ( -5.521 5.983 -4.287) 9.201 14.422 ( -12.466 -15.958 0.005) 20.250 14.919 ( -5.654 -1.307 -6.554) 8.754 18.692 ( 11.855 15.917 -1.194) 19.883 18.966 ( -0.631 7.104 1.590) 7.307 19.536 ( 4.154 -5.317 1.241) 6.860 20.003 ( -2.678 1.771 3.334) 4.628 21.219 ( 4.481 -0.863 -1.319) 4.750 21.812 ( -4.112 3.379 -3.616) 6.435 21.890 ( -7.289 0.028 -3.885) 8.260 23.162 ( -15.297 -7.519 -4.527) 17.636 23.659 ( 1.142 -2.170 1.231) 2.743 23.767 ( -1.224 0.987 -3.645) 3.970 24.299 ( -1.314 -1.853 -0.755) 2.394 24.798 ( 1.441 -13.053 2.760) 13.419 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -15.524 13.920 25.117) 32.644 1.133 ( -13.627 26.615 15.151) 33.520 1.646 ( -42.530 19.789 17.552) 50.084 2.159 ( -6.952 7.073 -6.127) 11.658 2.722 ( -1.470 2.733 7.183) 7.825 3.047 ( -7.387 -3.755 4.033) 9.216 3.228 ( -3.233 -2.289 3.821) 5.504 3.279 ( 4.918 5.123 2.835) 7.647 3.547 ( -2.548 -5.743 0.212) 6.287 3.651 ( -2.993 -2.826 3.739) 5.561 3.772 ( -2.163 -4.994 -3.124) 6.275 3.858 ( -5.987 -5.017 -4.389) 8.960 3.908 ( 2.124 -4.733 3.648) 6.342 4.001 ( 1.264 3.788 0.986) 4.113 4.037 ( -12.071 5.115 -4.261) 13.785 4.119 ( -4.692 5.644 -0.467) 7.355 4.407 ( 8.137 7.154 -5.119) 11.983 4.510 ( -6.022 6.520 -2.090) 9.118 4.712 ( 5.428 9.714 -0.120) 11.129 5.079 ( -6.063 -9.098 1.008) 10.980 5.317 ( 7.451 1.375 -5.239) 9.212 5.414 ( -0.276 0.502 -0.158) 0.594 5.487 ( 1.992 3.009 1.816) 4.040 5.702 ( 2.704 -3.755 0.570) 4.662 5.935 ( -3.915 -1.441 6.258) 7.522 6.035 ( 0.903 -0.553 -1.197) 1.599 6.207 ( -0.704 -1.759 0.298) 1.918 6.433 ( -0.120 -2.798 -3.112) 4.186 6.633 ( 0.880 -5.066 -2.183) 5.586 6.821 ( -1.764 1.121 -5.238) 5.639 7.011 ( 2.665 -1.969 0.504) 3.352 7.248 ( 5.704 -3.096 -2.441) 6.934 7.427 ( -0.685 -2.120 -2.839) 3.609 7.542 ( -4.599 -2.519 3.137) 6.110 7.606 ( -4.584 -2.352 -10.983) 12.132 7.727 ( -14.496 -13.986 0.019) 20.143 8.209 ( 3.887 2.822 -6.835) 8.354 8.339 ( 1.453 6.705 -2.755) 7.393 8.511 ( -0.721 7.232 -0.770) 7.309 8.620 ( -4.489 -1.516 -5.804) 7.493 9.206 ( 1.170 2.414 2.263) 3.510 9.368 ( -10.439 -8.127 5.028) 14.152 9.815 ( -2.822 1.114 -1.542) 3.403 10.072 ( 5.134 9.041 -12.855) 16.533 10.343 ( 2.178 3.766 -2.582) 5.059 10.475 ( -3.382 12.188 -8.359) 15.161 10.850 ( 1.877 -0.861 -1.719) 2.687 10.906 ( -1.759 1.268 -4.039) 4.584 11.664 ( 2.216 1.256 7.453) 7.876 12.088 ( -1.681 -7.820 3.196) 8.614 12.183 ( 17.345 -18.911 41.255) 48.584 12.284 ( 0.023 -3.765 2.925) 4.768 12.783 ( -4.892 -0.385 -2.844) 5.672 12.888 ( -0.954 -1.746 1.942) 2.780 13.401 ( 14.740 3.201 3.625) 15.513 13.629 ( 6.575 0.608 -3.769) 7.603 13.796 ( 1.975 -0.006 2.956) 3.555 13.911 ( -1.725 8.520 -2.498) 9.044 14.120 ( -17.805 -12.827 -0.680) 21.955 14.737 ( -10.907 -0.023 -6.569) 12.732 18.896 ( 0.635 8.102 1.271) 8.226 19.087 ( 23.647 31.290 -13.042) 41.332 19.633 ( 4.570 -6.683 6.783) 10.562 19.989 ( 3.701 7.730 3.253) 9.167 21.332 ( 7.129 -1.726 -0.581) 7.358 21.666 ( -6.659 -3.384 -3.556) 8.273 21.818 ( -1.288 4.513 -5.202) 7.006 22.700 ( -34.411 -12.169 -11.179) 38.173 23.657 ( -2.154 -2.170 3.082) 4.341 23.745 ( 0.055 -0.693 -2.417) 2.515 24.277 ( -0.380 -1.153 -1.057) 1.610 24.694 ( -15.156 -17.552 -2.194) 23.294 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.394 25.403 8.647) 26.838 1.555 ( -1.038 22.569 24.615) 33.411 1.994 ( -2.681 31.464 9.167) 32.881 2.216 ( 0.739 8.730 -2.054) 8.999 2.675 ( 0.414 -8.966 6.751) 11.231 2.883 ( -0.509 -6.697 6.236) 9.165 3.061 ( -1.151 -6.018 0.648) 6.161 3.450 ( -3.457 1.485 -3.109) 4.880 3.519 ( -2.434 1.506 7.007) 7.569 3.541 ( -4.801 0.319 -1.825) 5.146 3.683 ( 4.351 1.949 -2.794) 5.526 3.761 ( -4.784 -2.515 1.527) 5.617 3.886 ( 5.736 3.851 -1.507) 7.072 3.952 ( -0.300 1.427 1.947) 2.433 4.149 ( 3.455 3.666 0.161) 5.040 4.201 ( -0.543 4.786 -1.459) 5.033 4.463 ( -2.776 -2.458 4.204) 5.606 4.651 ( 5.026 2.842 -6.318) 8.559 4.819 ( -1.870 -2.122 -1.338) 3.129 4.841 ( 1.164 -3.808 -3.531) 5.322 5.282 ( 0.066 -8.888 -0.429) 8.898 5.472 ( 2.755 0.809 -2.585) 3.864 5.583 ( 0.055 5.917 -2.853) 6.569 5.699 ( -2.226 -2.628 -0.220) 3.451 5.740 ( -7.932 -9.045 3.491) 12.527 6.061 ( 3.061 -6.036 -2.749) 7.305 6.276 ( 4.699 5.448 -2.779) 7.713 6.477 ( 8.466 -0.749 -1.225) 8.587 6.519 ( -3.819 -0.270 -1.063) 3.974 6.846 ( 3.015 -3.334 -6.316) 7.752 6.982 ( 7.062 1.700 1.269) 7.373 7.099 ( -8.679 -0.403 1.290) 8.783 7.333 ( -2.293 -0.520 -2.737) 3.608 7.374 ( 1.674 -1.993 -2.390) 3.533 7.530 ( -2.521 -2.362 -1.847) 3.918 7.582 ( 6.519 -4.198 -0.945) 7.811 8.299 ( 2.112 2.525 -4.922) 5.921 8.445 ( 1.252 1.745 -6.716) 7.051 8.463 ( -4.411 0.381 -1.968) 4.845 8.631 ( 0.778 0.677 -1.015) 1.447 9.199 ( -5.432 3.109 8.678) 10.700 9.317 ( -0.501 4.593 5.353) 7.071 9.831 ( 0.390 3.941 -0.209) 3.966 10.214 ( 3.666 0.018 -10.902) 11.502 10.499 ( 1.865 4.924 -0.589) 5.298 10.605 ( -0.723 6.976 -6.714) 9.709 10.738 ( -8.201 3.514 -4.059) 9.801 10.903 ( 0.252 -0.924 0.748) 1.215 11.732 ( -2.100 2.858 5.520) 6.561 11.897 ( 1.934 -8.429 15.406) 17.667 12.047 ( 0.441 -9.864 11.431) 15.105 12.172 ( -0.364 -6.476 -0.251) 6.491 12.823 ( 2.776 -0.963 5.442) 6.184 12.929 ( 4.546 -2.080 5.526) 7.452 13.551 ( -8.404 1.919 -3.803) 9.423 13.693 ( 7.646 -0.146 2.461) 8.033 13.797 ( -3.458 -1.186 0.450) 3.683 13.824 ( -0.291 0.171 2.444) 2.467 14.128 ( 4.004 3.559 -2.312) 5.835 14.478 ( -1.415 -6.788 -3.707) 7.862 19.051 ( -2.827 9.766 1.623) 10.296 19.481 ( -3.630 -2.829 2.478) 5.228 19.980 ( 7.212 13.144 -11.813) 19.087 20.374 ( 8.195 -1.708 -3.341) 9.013 21.454 ( 12.566 0.083 -6.728) 14.254 21.615 ( 13.992 -3.045 -6.818) 15.860 21.774 ( -20.479 1.844 0.173) 20.562 21.821 ( -13.899 -0.437 2.060) 14.058 23.599 ( -2.362 1.354 3.982) 4.823 23.733 ( 1.326 -1.654 0.577) 2.197 24.266 ( -0.440 0.110 -1.188) 1.271 24.302 ( -5.067 -0.558 -0.200) 5.101 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 20.631 19.856 6.027) 29.261 1.699 ( 7.027 20.199 26.150) 33.782 2.142 ( 14.939 26.882 7.841) 31.738 2.345 ( 9.573 5.549 1.056) 11.115 2.759 ( 5.209 -9.886 0.555) 11.189 2.944 ( 5.458 -0.997 12.594) 13.762 3.091 ( 2.001 -3.460 0.080) 3.998 3.272 ( -9.438 -0.930 -7.731) 12.236 3.406 ( -5.384 5.314 3.309) 8.256 3.551 ( 0.948 2.424 3.869) 4.663 3.687 ( 1.586 -6.290 -0.763) 6.531 3.767 ( -1.205 -3.198 1.087) 3.586 3.916 ( 5.154 5.715 -4.682) 9.008 4.107 ( 0.681 4.029 -3.287) 5.244 4.163 ( 10.438 2.863 -2.801) 11.180 4.283 ( 3.869 1.107 6.411) 7.569 4.493 ( 7.665 0.185 1.132) 7.750 4.667 ( -3.545 7.781 -6.514) 10.749 4.790 ( -0.533 1.726 -0.450) 1.861 4.878 ( 4.810 -7.844 -0.669) 9.226 5.271 ( -0.310 -7.108 -0.222) 7.118 5.462 ( -8.828 1.572 1.162) 9.041 5.512 ( 2.092 0.946 -5.115) 5.606 5.679 ( -0.130 -6.801 3.531) 7.664 5.715 ( 3.789 -5.407 0.879) 6.661 6.076 ( 0.035 -3.486 -3.139) 4.691 6.284 ( -4.056 3.836 -0.625) 5.617 6.508 ( 2.728 -1.328 0.469) 3.070 6.537 ( -0.860 0.177 -2.099) 2.275 6.857 ( 0.863 -3.459 -4.887) 6.049 6.928 ( -6.378 -1.009 3.692) 7.438 7.263 ( 10.220 -1.216 -1.472) 10.397 7.304 ( 2.381 2.036 -3.148) 4.441 7.383 ( 0.207 -2.936 -3.096) 4.272 7.551 ( 4.838 -3.536 0.972) 6.071 7.731 ( 7.904 -3.262 -4.540) 9.681 8.323 ( 0.902 1.493 -5.732) 5.991 8.417 ( 0.828 2.573 -0.829) 2.827 8.449 ( 1.394 0.310 -8.446) 8.565 8.657 ( 2.842 -1.351 -1.918) 3.685 9.160 ( -1.373 5.211 7.185) 8.982 9.322 ( -0.316 3.782 5.319) 6.535 9.861 ( 2.757 3.643 0.178) 4.572 10.239 ( 1.905 -1.814 -8.651) 9.043 10.431 ( -6.646 10.241 -3.233) 12.629 10.623 ( 0.562 2.265 0.024) 2.334 10.656 ( 2.896 8.315 -6.199) 10.768 10.878 ( -2.538 -0.259 -1.805) 3.125 11.712 ( -1.825 2.263 5.521) 6.239 11.974 ( -0.341 -5.959 16.055) 17.129 12.047 ( -1.042 -8.064 6.993) 10.724 12.158 ( -0.492 -5.562 -0.624) 5.619 12.901 ( 2.938 -1.881 3.950) 5.270 12.997 ( -1.632 -4.346 6.383) 7.892 13.358 ( -9.423 4.734 0.027) 10.545 13.698 ( -5.936 -4.146 0.177) 7.243 13.757 ( -4.257 0.348 2.359) 4.880 13.878 ( 7.411 -4.936 -0.733) 8.934 14.196 ( 5.749 4.707 0.573) 7.452 14.601 ( 11.604 -9.839 -4.986) 16.010 18.990 ( -3.471 9.141 -0.329) 9.784 19.368 ( -9.084 1.672 -1.025) 9.294 19.909 ( -13.769 10.145 -5.548) 17.980 20.160 ( -15.785 0.293 5.632) 16.762 21.443 ( -8.934 4.140 3.865) 10.578 21.729 ( 8.099 0.285 -10.374) 13.164 21.785 ( 7.891 -3.237 3.948) 9.398 22.116 ( 36.585 -9.311 -16.561) 41.224 23.582 ( -0.588 2.578 3.247) 4.187 23.776 ( 2.846 -2.860 1.183) 4.204 24.176 ( -3.608 5.565 -3.179) 7.355 24.345 ( 4.863 -0.881 -0.226) 4.947 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 15.063 18.668 6.558) 24.868 1.944 ( 9.132 16.132 26.444) 32.294 2.386 ( 0.726 5.544 5.330) 7.725 2.531 ( 8.331 15.466 1.289) 17.614 2.818 ( 2.074 -9.709 -2.423) 10.220 3.005 ( -3.106 0.870 8.301) 8.905 3.159 ( 3.875 -6.976 1.347) 8.093 3.230 ( 2.810 2.115 0.193) 3.522 3.383 ( 5.896 7.983 -0.684) 9.948 3.601 ( 3.452 1.229 2.878) 4.659 3.721 ( 1.984 0.793 2.860) 3.570 3.808 ( 4.631 -7.022 -0.051) 8.412 3.945 ( 0.793 1.009 -3.914) 4.119 4.149 ( 7.871 6.494 -8.030) 12.985 4.313 ( 4.776 3.354 -3.544) 6.827 4.423 ( 4.241 6.029 4.077) 8.424 4.609 ( 5.493 0.638 -3.514) 6.552 4.715 ( 13.378 0.492 -0.078) 13.388 4.867 ( 7.838 4.053 -1.364) 8.929 4.938 ( 2.339 -8.278 1.580) 8.746 5.281 ( -1.402 -4.167 2.464) 5.040 5.341 ( -0.353 -0.533 0.734) 0.973 5.549 ( 2.206 0.829 -2.078) 3.142 5.701 ( 1.120 -4.272 5.334) 6.925 5.817 ( 5.894 -5.228 -0.664) 7.907 6.054 ( -1.464 -2.037 -4.423) 5.085 6.189 ( -4.785 0.821 0.309) 4.865 6.463 ( -4.902 -1.063 -3.140) 5.918 6.554 ( 0.289 -0.844 1.553) 1.791 6.804 ( -5.829 -2.834 -2.387) 6.907 6.885 ( 1.338 -2.261 1.571) 3.062 7.261 ( -0.760 -5.001 -4.689) 6.897 7.336 ( -3.945 0.390 -2.743) 4.821 7.466 ( 6.277 0.626 0.439) 6.323 7.646 ( 2.669 -4.403 -0.736) 5.202 7.818 ( 3.475 -0.725 -5.543) 6.582 8.286 ( -2.055 1.322 -6.262) 6.722 8.423 ( 0.032 2.265 -6.462) 6.848 8.480 ( 3.184 0.916 -0.154) 3.317 8.726 ( 4.193 -3.203 -2.324) 5.765 9.182 ( 1.463 6.483 5.092) 8.372 9.351 ( 1.653 3.040 5.822) 6.773 9.937 ( 4.901 1.853 0.843) 5.307 10.199 ( -4.883 0.380 -2.893) 5.688 10.340 ( -0.085 8.887 -5.099) 10.247 10.586 ( -3.315 1.734 2.026) 4.254 10.749 ( 5.961 10.070 -5.762) 13.044 10.815 ( -2.016 2.607 -6.067) 6.904 11.692 ( -1.880 2.214 4.214) 5.118 11.950 ( -4.612 -0.038 12.906) 13.705 12.061 ( -1.936 -9.985 3.145) 10.646 12.202 ( 4.905 -5.926 3.488) 8.447 12.898 ( -6.719 0.224 0.374) 6.733 12.952 ( -0.166 -4.015 2.521) 4.744 13.232 ( -4.129 6.123 3.499) 8.172 13.558 ( -7.215 -0.887 1.377) 7.398 13.676 ( -4.299 0.502 1.079) 4.460 14.053 ( 9.389 -10.219 -0.514) 13.887 14.312 ( 4.899 2.885 1.090) 5.789 14.785 ( 8.596 -10.392 -5.133) 14.430 18.917 ( -4.637 8.309 -0.692) 9.540 19.131 ( -12.479 10.031 -2.710) 16.239 19.614 ( -12.261 -1.411 6.278) 13.847 19.981 ( -7.333 -2.454 0.135) 7.734 21.351 ( -3.015 6.111 3.753) 7.780 21.809 ( 5.804 -1.091 -3.123) 6.680 22.001 ( 10.099 0.433 -1.099) 10.168 22.690 ( 27.445 -15.223 -16.424) 35.422 23.588 ( 0.037 2.809 2.314) 3.640 23.846 ( 4.042 -5.155 0.852) 6.606 24.123 ( -1.145 8.664 -2.941) 9.221 24.450 ( 5.890 -1.158 -1.044) 6.093 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -1.547 16.993 11.787) 20.739 2.230 ( 10.817 13.739 23.738) 29.483 2.352 ( -3.330 4.038 -3.347) 6.213 2.530 ( -1.081 14.212 3.829) 14.758 2.851 ( 1.742 -7.870 -1.483) 8.196 3.000 ( -2.091 -0.351 4.595) 5.060 3.176 ( -3.498 -5.068 2.763) 6.750 3.256 ( 2.860 -3.723 4.623) 6.589 3.448 ( -2.000 6.959 -4.287) 8.415 3.697 ( 2.490 0.776 0.710) 2.703 3.782 ( 3.308 6.521 3.144) 7.959 3.895 ( 5.079 -1.658 1.151) 5.465 4.051 ( 9.571 -4.845 -5.764) 12.178 4.296 ( 8.434 1.462 -5.306) 10.071 4.379 ( 4.034 9.442 -4.430) 11.182 4.491 ( 5.897 7.990 5.532) 11.368 4.777 ( 3.282 -3.727 1.952) 5.336 4.810 ( -0.958 -9.447 -3.429) 10.096 5.020 ( 11.146 -0.579 -2.473) 11.431 5.097 ( 7.982 1.761 0.827) 8.216 5.287 ( 5.526 -0.924 0.073) 5.603 5.434 ( 6.023 -0.999 -0.797) 6.157 5.584 ( 1.552 1.838 3.664) 4.383 5.771 ( 5.436 -1.462 4.152) 6.994 5.892 ( 0.333 -2.137 -2.830) 3.562 5.957 ( -6.054 -1.868 -3.843) 7.410 6.136 ( -1.911 -1.067 4.046) 4.600 6.355 ( -4.362 -0.125 -4.727) 6.434 6.529 ( -3.916 -2.206 3.356) 5.609 6.659 ( -6.260 -3.021 -1.810) 7.183 6.985 ( 8.892 -4.602 -1.687) 10.153 7.189 ( -6.638 -1.046 -2.928) 7.330 7.219 ( -5.520 -1.901 -4.879) 7.608 7.558 ( 3.201 -4.599 -0.629) 5.638 7.619 ( -2.971 0.259 -3.899) 4.909 7.847 ( 0.630 0.474 -3.663) 3.747 8.234 ( -0.902 0.594 -6.060) 6.156 8.402 ( -0.012 0.436 -5.603) 5.620 8.544 ( 3.145 0.910 2.040) 3.857 8.771 ( 0.705 -2.285 -0.235) 2.402 9.233 ( 1.959 7.580 3.594) 8.615 9.413 ( 2.288 2.480 6.999) 7.770 10.034 ( 3.412 0.084 1.670) 3.800 10.092 ( -3.586 2.137 -1.497) 4.435 10.356 ( 1.914 5.059 -4.322) 6.924 10.519 ( -3.683 2.400 2.338) 4.979 10.776 ( 1.263 8.668 -7.307) 11.407 10.832 ( 3.523 9.736 -5.269) 11.617 11.665 ( -2.172 2.607 3.246) 4.696 11.912 ( -3.080 2.651 9.926) 10.726 12.013 ( -2.955 -8.603 0.765) 9.129 12.285 ( 1.280 -7.276 3.591) 8.214 12.802 ( -1.806 1.123 -0.390) 2.162 12.931 ( -2.498 -4.481 2.126) 5.553 13.221 ( 1.111 6.094 3.966) 7.355 13.443 ( -5.649 0.980 1.063) 5.832 13.614 ( -2.215 0.935 1.435) 2.800 14.198 ( 5.785 -9.627 -1.179) 11.293 14.372 ( 1.031 0.755 0.860) 1.540 14.891 ( 4.345 -8.520 -4.977) 10.781 18.786 ( -7.611 10.114 1.424) 12.738 18.997 ( -0.986 6.870 -3.905) 7.964 19.459 ( -7.318 -5.976 7.007) 11.763 19.870 ( -3.729 -8.490 -0.987) 9.325 21.324 ( -1.464 8.380 3.124) 9.062 21.919 ( 6.145 -0.589 -3.098) 6.907 22.131 ( 3.489 2.858 -0.249) 4.517 23.055 ( 15.899 -15.357 -11.275) 24.815 23.588 ( -0.828 2.805 1.915) 3.495 23.912 ( 2.101 -6.911 -1.955) 7.483 24.120 ( 1.670 9.541 0.919) 9.730 24.547 ( 4.453 -1.621 -2.068) 5.170 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -8.559 15.211 8.850) 19.569 2.168 ( -12.344 13.447 2.615) 18.440 2.463 ( 6.299 7.721 15.298) 18.257 2.683 ( 10.627 10.130 1.839) 14.796 2.824 ( -4.312 2.803 4.901) 7.104 3.011 ( 3.508 -4.850 2.707) 6.570 3.107 ( -4.612 -5.865 4.016) 8.474 3.283 ( -1.638 -4.971 4.842) 7.130 3.421 ( 2.317 -0.258 -1.736) 2.906 3.706 ( -0.024 3.659 -2.791) 4.602 3.831 ( 0.332 6.383 2.224) 6.768 3.954 ( 0.274 1.478 1.694) 2.264 4.150 ( 1.045 -5.260 -7.102) 8.900 4.396 ( 2.981 -0.645 -1.564) 3.427 4.448 ( 3.359 10.712 -2.626) 11.530 4.588 ( -7.023 -0.225 7.220) 10.075 4.649 ( 0.016 -2.863 -2.543) 3.829 4.901 ( 4.082 -2.744 -0.021) 4.918 5.098 ( -1.984 -2.555 -3.000) 4.412 5.197 ( -0.685 -0.470 -0.169) 0.848 5.403 ( 4.315 0.960 -2.932) 5.304 5.455 ( -4.807 -0.231 -2.392) 5.375 5.613 ( -0.895 0.312 4.163) 4.269 5.768 ( -5.240 3.841 -4.119) 7.693 5.902 ( -2.481 -5.480 0.323) 6.024 5.953 ( 9.006 -1.816 4.041) 10.036 6.085 ( -2.934 3.283 2.100) 4.878 6.314 ( 1.354 -1.503 -3.016) 3.632 6.446 ( -2.667 -2.340 2.553) 4.371 6.615 ( 0.586 -3.751 -2.538) 4.567 7.048 ( -3.149 2.650 -3.939) 5.697 7.077 ( -4.735 -6.111 -5.357) 9.406 7.237 ( 12.972 -4.633 -0.077) 13.774 7.523 ( -3.202 -8.236 -2.914) 9.305 7.618 ( 1.788 2.305 -4.371) 5.255 7.818 ( -2.028 1.555 -3.768) 4.553 8.220 ( 1.260 0.846 -5.684) 5.884 8.395 ( 0.771 0.604 -3.461) 3.597 8.603 ( 1.958 -0.426 2.662) 3.332 8.754 ( -2.121 -1.275 0.002) 2.474 9.267 ( 0.417 8.493 3.840) 9.330 9.466 ( 0.510 1.547 7.911) 8.077 10.004 ( -2.235 3.276 -1.544) 4.256 10.108 ( 0.311 -3.188 0.971) 3.347 10.366 ( 1.190 3.813 -1.834) 4.396 10.490 ( -0.048 3.493 -0.042) 3.493 10.821 ( 5.747 12.092 -6.613) 14.932 10.859 ( 1.028 9.596 -3.412) 10.237 11.630 ( -2.537 2.794 2.702) 4.642 11.888 ( -2.506 2.703 8.099) 8.898 11.970 ( -1.486 -7.844 -0.249) 7.988 12.277 ( -2.078 -6.399 1.326) 6.857 12.812 ( 1.093 0.172 1.821) 2.131 12.902 ( -0.299 -3.848 1.582) 4.172 13.246 ( -1.477 4.381 3.493) 5.795 13.366 ( -1.233 1.213 -0.163) 1.737 13.607 ( 0.845 1.942 2.730) 3.455 14.263 ( 1.597 -7.551 -2.191) 8.023 14.361 ( -2.259 -0.539 0.742) 2.438 14.927 ( 1.102 -7.327 -4.667) 8.757 18.704 ( -0.816 10.126 1.333) 10.245 19.015 ( 3.448 5.349 -3.603) 7.313 19.369 ( -4.186 -6.388 6.335) 9.923 19.842 ( 1.003 -11.348 -0.474) 11.402 21.300 ( -2.024 8.996 1.783) 9.392 21.993 ( 1.234 -5.035 -1.037) 5.287 22.138 ( -1.454 9.310 -2.487) 9.746 23.228 ( 4.804 -15.441 -6.641) 17.482 23.577 ( -0.276 3.429 1.485) 3.747 23.900 ( -1.945 -3.388 -3.854) 5.488 24.190 ( 3.921 4.529 4.299) 7.374 24.600 ( 1.871 -2.759 -2.195) 3.991 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -13.642 14.687 9.568) 22.212 2.007 ( -5.662 19.465 4.393) 20.742 2.495 ( -4.876 6.642 1.118) 8.315 2.764 ( -2.071 14.333 14.279) 20.337 2.876 ( 2.931 -2.432 2.799) 4.726 3.048 ( -0.248 -6.446 2.201) 6.816 3.109 ( 3.339 -6.089 4.553) 8.304 3.322 ( 4.535 -5.314 7.588) 10.314 3.464 ( 0.823 -1.130 -0.903) 1.665 3.660 ( -5.494 8.784 -0.560) 10.375 3.794 ( -5.989 2.275 2.009) 6.715 3.880 ( -7.847 -3.101 -0.245) 8.441 4.074 ( -2.902 0.108 -7.665) 8.196 4.343 ( -9.787 1.946 1.426) 10.080 4.445 ( -2.439 -1.215 1.583) 3.151 4.493 ( -0.896 11.421 0.562) 11.470 4.691 ( 2.935 2.219 -3.228) 4.894 4.887 ( -13.643 -2.399 -4.004) 14.419 4.993 ( -2.239 -6.765 -3.978) 8.161 5.062 ( -6.005 -2.571 4.232) 7.784 5.244 ( -15.492 4.144 -1.300) 16.089 5.428 ( -1.413 -1.243 -0.519) 1.952 5.542 ( -5.969 -0.190 1.596) 6.181 5.713 ( -0.647 2.409 -2.292) 3.387 5.870 ( 1.318 -5.161 0.408) 5.342 5.980 ( -2.001 -2.898 -3.968) 5.306 6.202 ( 7.402 3.344 5.495) 9.807 6.346 ( 2.001 -2.192 -3.516) 4.602 6.469 ( 2.416 -2.063 1.189) 3.392 6.637 ( 3.963 -4.698 -3.110) 6.888 6.964 ( -3.981 -5.724 -0.506) 6.991 7.082 ( 5.855 5.146 -6.830) 10.364 7.435 ( 1.239 -10.832 3.988) 11.609 7.504 ( 4.639 -5.184 -4.131) 8.090 7.633 ( 3.261 1.773 -8.400) 9.183 7.756 ( -3.620 -0.182 -2.506) 4.407 8.237 ( 2.272 3.528 -6.339) 7.602 8.406 ( 1.309 1.867 -2.888) 3.680 8.627 ( -0.225 0.051 2.556) 2.566 8.704 ( -2.660 -1.252 -1.069) 3.128 9.277 ( -0.566 8.483 4.967) 9.846 9.472 ( -2.590 0.258 7.948) 8.363 9.965 ( -2.090 0.757 -1.083) 2.473 10.090 ( -0.583 1.009 -1.539) 1.930 10.409 ( 2.930 4.049 -3.015) 5.837 10.503 ( 1.902 1.244 1.006) 2.486 10.844 ( -0.579 10.588 -2.370) 10.866 10.950 ( 7.874 9.280 -4.709) 13.050 11.589 ( -2.408 1.922 3.359) 4.558 11.870 ( -1.891 1.146 8.301) 8.590 11.952 ( -0.545 -8.060 -0.409) 8.088 12.233 ( -2.846 -6.604 1.113) 7.277 12.826 ( 0.206 -0.174 0.769) 0.814 12.924 ( 0.832 -2.512 1.458) 3.021 13.206 ( -1.515 4.127 2.949) 5.293 13.395 ( 3.543 0.628 -0.715) 3.669 13.658 ( 3.067 2.265 3.813) 5.392 14.242 ( -3.442 -10.810 -1.314) 11.421 14.295 ( -4.460 4.285 -0.839) 6.241 14.904 ( -2.219 -7.509 -4.276) 8.922 18.774 ( 8.021 11.643 0.380) 14.143 19.089 ( 4.838 7.725 -1.517) 9.240 19.350 ( 0.756 -6.121 4.303) 7.520 19.894 ( 4.007 -9.940 0.275) 10.721 21.261 ( -2.057 7.323 0.061) 7.607 21.920 ( -8.526 -9.509 1.637) 12.876 22.104 ( -0.761 14.433 -6.217) 15.734 23.184 ( -7.534 -14.473 -3.807) 16.755 23.602 ( 2.120 2.017 0.955) 3.078 23.835 ( -3.396 -1.373 -2.785) 4.601 24.263 ( 1.871 1.336 3.566) 4.242 24.607 ( -0.646 -5.367 -0.464) 5.426 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -12.181 17.837 14.764) 26.163 1.896 ( -9.765 22.536 6.192) 25.329 2.400 ( -4.502 9.021 0.409) 10.090 2.687 ( -18.349 14.212 7.946) 24.532 2.767 ( -7.369 -5.857 1.942) 9.611 3.036 ( -6.118 -8.545 5.880) 12.043 3.184 ( 2.955 -2.696 5.548) 6.840 3.395 ( -2.234 4.235 4.953) 6.889 3.470 ( 4.808 -0.156 4.733) 6.749 3.527 ( -5.777 2.308 1.568) 6.416 3.718 ( 0.164 -2.343 -2.759) 3.623 3.805 ( -1.614 -2.746 2.483) 4.039 3.901 ( -10.405 -1.737 -4.114) 11.323 4.217 ( -5.467 5.186 -2.352) 7.894 4.382 ( -6.920 -0.253 -0.928) 6.986 4.418 ( -7.297 11.544 -0.045) 13.657 4.544 ( -12.998 3.497 -5.101) 14.395 4.705 ( 0.372 2.801 -3.989) 4.888 4.882 ( -6.404 -14.514 0.850) 15.887 4.947 ( -10.989 7.373 1.624) 13.332 5.141 ( 6.840 -5.317 -1.087) 8.731 5.384 ( -0.383 -2.858 2.519) 3.829 5.502 ( 0.999 2.163 -1.413) 2.770 5.694 ( -0.464 2.922 -2.786) 4.064 5.898 ( -2.187 -4.161 3.510) 5.867 5.958 ( 2.689 -3.395 -3.801) 5.762 6.267 ( -1.117 2.399 0.717) 2.742 6.341 ( -0.286 -5.159 -3.935) 6.495 6.545 ( 4.774 0.201 -0.795) 4.844 6.714 ( 3.531 -5.437 -5.038) 8.211 6.929 ( 0.323 -5.422 2.656) 6.046 7.180 ( 5.673 3.002 -6.371) 9.043 7.430 ( -0.855 -9.510 -0.859) 9.587 7.485 ( -4.749 -0.483 1.627) 5.044 7.649 ( -6.458 -6.327 -2.926) 9.503 7.700 ( 2.361 1.258 -7.270) 7.747 8.263 ( 2.405 5.442 -6.717) 8.973 8.423 ( 1.453 2.898 -3.442) 4.729 8.622 ( -0.616 0.871 1.104) 1.536 8.651 ( -2.537 -1.374 -1.870) 3.438 9.284 ( -0.342 7.082 5.714) 9.106 9.415 ( -5.895 -0.038 8.101) 10.019 9.906 ( -3.541 0.821 -0.293) 3.647 10.110 ( 3.501 2.456 -5.305) 6.814 10.431 ( 1.126 6.223 -3.278) 7.124 10.577 ( 4.287 -2.398 0.611) 4.950 10.832 ( 0.210 7.744 -0.213) 7.750 11.043 ( 2.102 5.819 -7.582) 9.786 11.590 ( 1.920 1.033 8.054) 8.344 11.860 ( -3.308 -0.626 13.386) 13.803 11.941 ( 0.063 -9.504 -1.016) 9.558 12.187 ( -1.983 -6.664 1.705) 7.159 12.826 ( -0.145 0.356 -1.368) 1.421 12.908 ( -2.915 -1.315 0.323) 3.214 13.264 ( 7.043 4.720 3.480) 9.165 13.494 ( 7.158 -0.445 -0.816) 7.219 13.731 ( 3.033 1.241 3.702) 4.944 14.119 ( -9.123 -12.121 1.742) 15.270 14.196 ( -5.226 9.206 -4.009) 11.320 14.809 ( -6.505 -8.196 -3.830) 11.142 18.987 ( 10.753 10.542 1.170) 15.104 19.211 ( 12.220 15.695 -2.529) 20.051 19.419 ( 4.452 -5.533 3.047) 7.728 19.983 ( 5.214 -4.303 -0.090) 6.761 21.243 ( 1.002 3.582 -1.629) 4.061 21.733 ( -10.085 -7.422 -0.807) 12.547 22.046 ( -3.845 11.079 -4.878) 12.701 22.928 ( -18.293 -14.037 -3.829) 23.373 23.640 ( 0.925 0.454 2.085) 2.326 23.764 ( -3.139 -1.097 -1.531) 3.661 24.279 ( -0.663 0.545 1.017) 1.331 24.568 ( -4.099 -8.440 1.939) 9.581 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -11.583 20.101 16.866) 28.682 1.653 ( -16.151 22.906 11.565) 30.320 2.180 ( -19.319 24.703 9.106) 32.656 2.343 ( -10.487 10.584 -2.961) 15.191 2.696 ( -3.669 -5.565 6.732) 9.474 2.912 ( -5.375 -10.047 3.312) 11.866 3.155 ( -7.175 -3.585 3.171) 8.625 3.433 ( 3.611 2.668 -0.115) 4.491 3.495 ( 1.939 3.235 4.738) 6.056 3.543 ( 1.221 -1.188 6.549) 6.767 3.725 ( -5.054 -0.554 -2.990) 5.898 3.747 ( 3.699 -2.198 -0.782) 4.373 3.841 ( -1.228 -2.291 2.097) 3.340 4.102 ( -4.231 5.746 -2.473) 7.552 4.136 ( -10.032 1.568 -2.134) 10.376 4.263 ( -6.500 8.118 -1.101) 10.458 4.482 ( 0.609 1.669 -4.035) 4.409 4.680 ( -6.172 2.622 -1.111) 6.797 4.766 ( 3.912 -5.344 -2.151) 6.963 4.882 ( -2.316 -2.147 0.204) 3.164 5.249 ( 4.107 -8.174 -1.443) 9.261 5.422 ( 2.396 -0.146 1.268) 2.714 5.554 ( 3.408 2.136 -0.953) 4.133 5.703 ( 2.369 2.093 -1.825) 3.650 5.844 ( -3.728 -4.141 2.564) 6.133 5.999 ( 2.421 -3.931 -1.889) 4.988 6.234 ( -0.087 3.959 -3.645) 5.382 6.349 ( 3.025 -4.104 -1.513) 5.318 6.583 ( -0.912 0.721 -2.346) 2.618 6.764 ( 4.859 -4.166 -5.663) 8.546 6.953 ( -0.102 -3.937 2.430) 4.628 7.233 ( -0.390 -2.489 -4.683) 5.318 7.345 ( -3.456 1.650 -0.451) 3.856 7.472 ( -3.084 -10.662 2.819) 11.452 7.490 ( -3.677 -2.128 -3.863) 5.742 7.647 ( -5.081 1.403 -5.686) 7.753 8.282 ( 1.713 4.177 -5.832) 7.375 8.438 ( 1.294 3.201 -4.506) 5.677 8.570 ( -4.870 -2.453 -2.715) 6.092 8.625 ( 0.068 2.139 0.065) 2.141 9.292 ( -3.350 2.078 7.552) 8.519 9.315 ( -4.407 4.437 6.955) 9.353 9.848 ( -2.083 2.776 -0.383) 3.491 10.168 ( 4.435 1.280 -9.011) 10.125 10.453 ( 2.315 5.870 -2.135) 6.661 10.625 ( 0.679 0.963 -1.973) 2.298 10.860 ( 1.892 2.484 0.770) 3.216 10.949 ( -7.962 2.415 -8.994) 12.253 11.712 ( 5.259 2.757 6.618) 8.892 11.829 ( -3.377 -8.105 19.995) 21.838 11.972 ( 2.626 -8.028 5.306) 9.975 12.173 ( -0.163 -6.783 0.913) 6.847 12.809 ( -1.885 1.851 1.105) 2.864 12.864 ( 0.498 -0.548 0.341) 0.815 13.469 ( 12.109 3.115 3.280) 12.926 13.622 ( 4.125 -0.921 -2.623) 4.974 13.789 ( 1.924 -0.466 3.266) 3.819 13.937 ( -9.557 -5.582 1.841) 11.219 14.093 ( -2.387 8.471 -3.828) 9.598 14.636 ( -10.052 -7.858 -3.334) 13.187 19.075 ( -0.139 9.081 3.333) 9.675 19.492 ( 1.968 -3.519 1.985) 4.494 19.642 ( 29.662 17.490 -9.600) 35.748 20.105 ( 9.320 2.775 -0.592) 9.743 21.307 ( 6.489 -0.095 -2.657) 7.013 21.570 ( -4.995 -5.578 -4.051) 8.513 21.931 ( -6.720 6.129 -2.298) 9.381 22.441 ( -31.987 -11.305 -3.208) 34.077 23.637 ( -2.298 0.271 3.798) 4.447 23.723 ( -0.453 -1.251 -0.715) 1.510 24.263 ( -0.534 0.136 -0.487) 0.735 24.454 ( -8.260 -6.984 1.713) 10.951 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.295 23.727 7.621) 24.923 2.031 ( -0.989 21.567 14.175) 25.827 2.219 ( -1.754 -12.951 8.707) 15.704 2.435 ( 1.064 12.606 -2.247) 12.849 2.448 ( -2.826 -14.018 4.148) 14.890 2.673 ( 2.752 -10.542 2.894) 11.273 3.119 ( -0.292 12.220 5.630) 13.458 3.353 ( 0.599 -8.589 -0.216) 8.612 3.570 ( -6.569 4.008 -4.140) 8.739 3.612 ( -5.634 4.166 8.496) 11.013 3.707 ( -3.763 0.575 2.766) 4.705 3.811 ( 2.162 3.075 1.911) 4.217 3.929 ( 4.719 -2.065 -0.678) 5.195 3.957 ( -2.040 -2.015 2.458) 3.776 4.236 ( 2.307 6.082 -2.436) 6.947 4.312 ( -3.317 3.829 -3.650) 6.244 4.413 ( 2.724 0.406 3.930) 4.799 4.494 ( 7.953 -10.062 -1.904) 12.966 4.780 ( -0.261 1.281 -3.454) 3.693 4.907 ( -1.237 -4.738 -1.642) 5.165 5.150 ( 0.191 5.308 0.842) 5.378 5.387 ( 1.676 -11.556 -1.009) 11.720 5.580 ( -5.662 1.347 0.165) 5.823 5.637 ( -6.537 -2.768 -1.515) 7.259 5.770 ( 1.979 6.771 -5.533) 8.966 5.918 ( 3.472 -7.224 -4.829) 9.357 6.352 ( 3.325 2.953 -0.311) 4.458 6.419 ( 3.168 -3.311 1.818) 4.930 6.625 ( 0.288 6.461 -5.478) 8.476 6.747 ( 1.148 -5.326 -5.164) 7.507 7.061 ( 6.620 6.150 0.427) 9.046 7.145 ( 2.287 2.453 -1.494) 3.672 7.264 ( -2.123 -4.351 0.527) 4.870 7.320 ( -0.936 -5.245 -0.279) 5.335 7.475 ( 1.957 1.176 -2.778) 3.596 7.529 ( -0.329 -2.646 -3.891) 4.717 8.357 ( 0.577 2.795 -4.624) 5.434 8.413 ( -1.199 -2.428 -5.089) 5.765 8.528 ( -0.922 3.658 -1.447) 4.041 8.600 ( -0.612 -2.948 -0.858) 3.131 9.283 ( -3.328 4.406 8.735) 10.334 9.354 ( -2.138 -1.469 7.780) 8.201 9.973 ( 0.665 8.959 -1.911) 9.185 10.147 ( 1.472 -6.404 -6.271) 9.084 10.577 ( 0.982 2.891 1.116) 3.251 10.627 ( 0.933 -1.611 0.828) 2.037 10.855 ( -3.556 4.251 -5.466) 7.784 10.894 ( -0.940 -0.232 -1.392) 1.696 11.766 ( -1.303 1.077 12.011) 12.130 11.832 ( -0.771 -2.620 6.994) 7.508 11.908 ( 3.101 0.776 4.437) 5.468 12.025 ( 0.702 -7.174 -0.434) 7.222 12.840 ( 1.349 1.971 2.708) 3.611 12.887 ( 2.203 -2.216 2.617) 4.075 13.602 ( -4.215 2.902 -2.259) 5.594 13.665 ( 0.760 -2.678 -0.113) 2.786 13.791 ( -1.037 0.855 2.167) 2.550 13.815 ( -0.450 -0.996 2.714) 2.926 14.220 ( 2.000 5.094 -2.718) 6.110 14.339 ( -0.339 -6.265 -3.350) 7.113 19.244 ( -2.891 8.249 3.091) 9.271 19.388 ( -2.853 -5.649 4.083) 7.531 20.200 ( 4.868 7.925 -7.541) 11.973 20.319 ( 3.995 -3.810 -4.683) 7.240 21.473 ( 13.042 2.027 -7.200) 15.034 21.538 ( 14.384 -3.861 -7.684) 16.758 21.802 ( -16.846 0.922 1.634) 16.950 21.814 ( -13.782 -0.342 2.358) 13.986 23.641 ( -0.845 2.419 2.917) 3.883 23.692 ( 0.305 -2.281 1.766) 2.900 24.271 ( 0.239 0.451 -0.756) 0.912 24.285 ( -1.824 -0.877 -0.320) 2.049 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 13.155 19.383 6.137) 24.216 2.122 ( 4.524 19.288 16.294) 25.652 2.304 ( 7.162 -9.746 7.930) 14.462 2.484 ( 4.542 -14.688 2.477) 15.572 2.588 ( 13.422 12.229 -1.336) 18.207 2.813 ( 9.539 -9.694 4.819) 14.429 3.199 ( 3.159 12.313 7.447) 14.733 3.313 ( -5.292 2.485 0.604) 5.877 3.479 ( -4.752 -0.789 -1.102) 4.942 3.514 ( 1.180 -5.721 -4.014) 7.088 3.616 ( -2.642 6.471 3.207) 7.690 3.799 ( -2.106 -0.944 3.907) 4.538 3.960 ( 2.547 0.233 -0.656) 2.640 4.058 ( 4.679 -6.881 0.540) 8.339 4.283 ( 3.252 5.541 -4.010) 7.574 4.323 ( 6.399 1.196 -0.551) 6.533 4.571 ( 10.983 7.223 4.471) 13.885 4.656 ( 6.241 -3.598 -1.488) 7.356 4.732 ( -2.973 -0.717 -2.727) 4.097 4.906 ( 2.230 -3.496 -1.791) 4.517 5.126 ( -1.595 1.219 1.772) 2.678 5.323 ( -6.923 -11.559 0.610) 13.487 5.528 ( 2.010 1.078 -3.259) 3.977 5.559 ( -0.560 -1.902 -1.568) 2.528 5.809 ( 2.952 7.665 -4.245) 9.246 5.965 ( 2.241 -6.776 -4.012) 8.187 6.343 ( -4.399 2.818 -0.404) 5.240 6.424 ( -2.168 -4.716 1.264) 5.342 6.626 ( 0.901 5.945 -4.500) 7.510 6.752 ( 1.029 -5.820 -4.389) 7.362 7.007 ( -5.970 7.452 4.884) 10.726 7.183 ( -5.122 -7.961 1.229) 9.546 7.301 ( 6.543 2.305 -0.084) 6.937 7.368 ( 3.861 -2.621 -2.008) 5.080 7.547 ( 7.958 3.736 -3.762) 9.563 7.645 ( 9.737 -4.773 -4.400) 11.702 8.360 ( 0.588 1.879 -6.032) 6.345 8.400 ( 1.712 -1.878 -5.841) 6.370 8.515 ( 0.500 4.065 -1.840) 4.490 8.599 ( 1.113 -3.718 -0.808) 3.965 9.274 ( -0.393 5.184 7.595) 9.204 9.352 ( -0.513 -1.538 6.943) 7.130 9.981 ( 0.893 7.713 -0.965) 7.824 10.145 ( 0.253 -6.901 -4.804) 8.412 10.569 ( -2.831 4.543 2.551) 5.930 10.634 ( -0.966 -1.192 2.072) 2.578 10.830 ( 3.352 5.592 -7.977) 10.303 10.879 ( 0.524 -0.020 -4.714) 4.743 11.764 ( -1.787 2.704 7.468) 8.140 11.852 ( 0.091 -5.961 7.827) 9.839 11.951 ( -0.010 0.831 7.420) 7.466 12.036 ( 0.627 -5.782 1.359) 5.973 12.891 ( 2.076 1.061 2.793) 3.638 12.932 ( 0.477 -2.528 3.266) 4.158 13.467 ( -7.394 5.617 -0.143) 9.287 13.589 ( -6.094 -5.901 -0.034) 8.483 13.770 ( -2.707 1.072 1.581) 3.313 13.804 ( -0.257 -2.265 0.443) 2.322 14.309 ( 7.245 5.732 -1.851) 9.422 14.436 ( 9.301 -6.596 -4.038) 12.096 19.175 ( -4.616 8.117 0.978) 9.389 19.317 ( -5.396 -5.139 1.685) 7.639 20.079 ( -16.805 5.684 -3.780) 18.138 20.152 ( -14.342 -1.566 -0.407) 14.433 21.542 ( -5.804 5.472 4.974) 9.400 21.664 ( -2.053 -5.642 4.499) 7.503 21.812 ( 19.047 4.912 -11.075) 22.574 21.943 ( 26.172 -7.350 -12.794) 30.045 23.646 ( 0.269 3.293 2.694) 4.263 23.713 ( 1.278 -3.109 2.077) 3.951 24.260 ( 0.295 3.003 -1.375) 3.317 24.313 ( 3.443 -2.096 -0.579) 4.073 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 11.436 12.397 2.320) 17.025 2.273 ( 5.631 13.152 19.376) 24.086 2.456 ( 3.611 -0.998 6.439) 7.449 2.581 ( 4.315 -11.491 1.818) 12.408 2.820 ( 8.366 8.287 -1.074) 11.825 2.969 ( 3.561 -6.392 5.347) 9.063 3.119 ( -7.915 7.836 6.265) 12.779 3.259 ( -6.881 -2.159 7.778) 10.607 3.483 ( 9.957 3.756 -7.834) 13.214 3.619 ( 9.142 -8.666 -4.788) 13.476 3.693 ( 6.309 9.339 3.631) 11.841 3.841 ( 4.188 2.887 4.463) 6.767 3.952 ( -2.341 2.033 -0.739) 3.187 4.124 ( 5.004 -9.058 -0.904) 10.388 4.428 ( 11.268 5.091 -5.743) 13.634 4.491 ( 11.410 0.257 -1.531) 11.515 4.626 ( -2.546 2.161 -2.361) 4.089 4.714 ( -1.019 -3.160 -0.415) 3.346 4.807 ( 9.622 4.776 3.936) 11.441 4.981 ( 5.832 -1.559 -0.391) 6.049 5.157 ( 3.692 -2.114 2.829) 5.109 5.264 ( 3.062 -6.282 0.164) 6.991 5.569 ( 2.513 0.958 -0.978) 2.862 5.603 ( 4.608 -2.907 -0.220) 5.453 5.850 ( 2.670 5.387 -3.728) 7.074 5.974 ( 0.153 -5.473 -3.724) 6.622 6.240 ( -4.795 4.445 -2.332) 6.941 6.363 ( -3.038 -6.714 -2.193) 7.689 6.606 ( -2.824 4.674 -1.503) 5.664 6.711 ( -5.249 -4.970 -1.181) 7.325 6.948 ( -1.430 6.562 4.709) 8.203 7.113 ( -2.339 -8.286 0.664) 8.636 7.355 ( -0.487 1.346 -3.587) 3.863 7.406 ( 0.691 -3.682 -0.277) 3.757 7.682 ( 5.453 4.672 -3.710) 8.083 7.772 ( 4.520 -3.503 -3.707) 6.814 8.330 ( -1.498 2.831 -6.473) 7.222 8.395 ( -0.415 -3.049 -7.555) 8.157 8.553 ( 3.063 4.434 0.752) 5.442 8.645 ( 3.437 -4.283 -0.388) 5.506 9.312 ( 1.924 5.300 6.399) 8.529 9.382 ( 1.562 -0.939 6.507) 6.757 10.003 ( 1.378 4.925 0.601) 5.149 10.124 ( -1.511 -5.748 -1.744) 6.194 10.508 ( -3.053 6.328 0.402) 7.038 10.597 ( -3.441 -1.820 2.152) 4.448 10.895 ( 3.506 3.890 -8.512) 9.994 10.906 ( 5.817 3.788 -7.109) 9.936 11.750 ( -1.484 3.530 4.294) 5.753 11.864 ( -0.955 -7.757 4.571) 9.054 11.972 ( -0.348 2.813 8.322) 8.792 12.072 ( 2.213 -6.132 4.306) 7.813 12.897 ( -3.699 -0.020 0.074) 3.699 12.906 ( -1.827 -0.883 1.446) 2.492 13.368 ( -3.252 6.594 3.500) 8.143 13.493 ( -4.166 -4.911 2.604) 6.946 13.713 ( -2.939 3.267 0.723) 4.453 13.831 ( 2.757 -8.473 0.346) 8.917 14.439 ( 6.265 7.245 -2.369) 9.867 14.598 ( 8.239 -8.020 -4.440) 12.325 19.083 ( -5.075 7.323 -0.345) 8.917 19.200 ( -6.691 -2.817 -0.924) 7.319 19.692 ( -19.002 7.975 2.606) 20.771 19.870 ( -14.678 -7.718 -0.047) 16.584 21.511 ( -0.055 8.761 4.956) 10.066 21.695 ( 2.980 -8.198 4.418) 9.778 22.129 ( 16.605 10.270 -10.534) 22.185 22.386 ( 22.895 -13.735 -13.197) 29.783 23.661 ( 0.348 3.985 2.402) 4.666 23.749 ( 1.609 -4.349 2.133) 5.104 24.279 ( 1.864 6.360 -1.370) 6.768 24.391 ( 4.565 -4.288 -0.837) 6.319 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.113 9.127 4.971) 10.394 2.422 ( 0.361 2.866 6.282) 6.914 2.488 ( 2.968 8.979 9.585) 13.465 2.658 ( 3.287 -8.531 2.110) 9.383 2.863 ( -0.376 11.918 0.381) 11.930 3.033 ( -3.542 -2.315 1.820) 4.606 3.041 ( 1.741 -0.171 9.395) 9.556 3.173 ( -2.941 -5.538 10.595) 12.311 3.608 ( -1.555 9.892 -0.983) 10.062 3.723 ( 2.104 2.625 -2.256) 4.050 3.772 ( 6.332 -4.572 -1.242) 7.909 3.879 ( -0.100 -10.326 -3.427) 10.881 4.048 ( 9.136 10.835 2.822) 14.451 4.247 ( 6.388 -6.650 -1.682) 9.374 4.557 ( 3.943 5.673 -6.095) 9.213 4.633 ( 0.034 -3.879 -3.418) 5.170 4.671 ( 3.624 6.338 2.355) 7.671 4.727 ( 8.985 -1.284 -0.644) 9.099 4.990 ( 8.299 -0.282 0.777) 8.340 5.074 ( 3.777 -5.459 4.345) 7.934 5.289 ( 8.818 3.542 -3.449) 10.109 5.386 ( 6.354 -4.114 -1.539) 7.725 5.624 ( 2.324 2.680 3.469) 4.962 5.707 ( 6.015 -4.430 1.771) 7.678 5.875 ( 0.817 2.113 -3.679) 4.320 5.950 ( -1.451 -2.712 -5.103) 5.958 6.184 ( 0.177 6.845 -0.611) 6.874 6.322 ( -0.275 -4.253 -4.566) 6.246 6.510 ( -6.452 0.793 2.420) 6.936 6.566 ( -8.186 -4.455 1.007) 9.374 6.971 ( 2.341 2.755 1.082) 3.774 7.069 ( -3.172 -5.911 -1.154) 6.807 7.279 ( -4.867 3.587 -3.860) 7.173 7.384 ( -2.316 -7.097 -2.146) 7.768 7.721 ( 0.664 5.106 -4.146) 6.610 7.811 ( 0.992 -3.387 -3.583) 5.030 8.284 ( -0.636 3.761 -5.450) 6.652 8.365 ( 0.282 -3.478 -6.316) 7.216 8.604 ( 1.494 4.214 2.420) 5.084 8.697 ( 1.402 -4.357 0.743) 4.636 9.376 ( 2.419 5.517 5.781) 8.349 9.442 ( 2.119 -0.562 6.875) 7.216 10.030 ( 0.869 0.995 1.763) 2.203 10.076 ( -3.023 -2.659 0.179) 4.030 10.473 ( -0.692 5.078 -1.002) 5.222 10.541 ( -2.101 -1.032 0.329) 2.364 10.944 ( 4.252 6.332 -7.947) 11.015 10.986 ( 4.324 3.178 -6.678) 8.567 11.734 ( -1.350 4.126 2.161) 4.849 11.847 ( -1.888 -6.798 2.056) 7.349 11.986 ( -0.656 4.892 6.633) 8.268 12.122 ( 0.934 -7.729 4.302) 8.895 12.829 ( -2.123 1.444 -0.133) 2.571 12.865 ( -2.265 -2.155 0.819) 3.232 13.346 ( -1.122 5.319 3.730) 6.593 13.428 ( -3.929 -2.386 2.013) 5.018 13.681 ( -0.577 6.340 1.995) 6.671 13.895 ( 3.065 -13.809 2.214) 14.317 14.520 ( 3.141 8.872 -3.265) 9.962 14.708 ( 4.684 -8.933 -4.600) 11.086 18.979 ( -5.481 7.891 -0.185) 9.609 19.087 ( -3.466 -0.847 -3.125) 4.743 19.435 ( -9.513 5.626 5.203) 12.216 19.644 ( -8.250 -11.947 0.824) 14.542 21.534 ( 0.212 11.066 3.971) 11.759 21.766 ( 2.240 -10.565 3.791) 11.445 22.356 ( 10.182 15.134 -9.044) 20.359 22.704 ( 14.219 -17.462 -10.835) 24.990 23.670 ( -0.146 4.818 2.320) 5.349 23.781 ( 0.921 -5.670 1.853) 6.036 24.315 ( 2.047 8.504 -0.679) 8.773 24.466 ( 3.348 -5.801 -1.165) 6.798 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -7.964 10.785 4.653) 14.192 2.366 ( -6.055 3.095 1.525) 6.969 2.595 ( 3.474 5.540 5.911) 8.815 2.717 ( 3.265 -5.221 0.626) 6.190 2.935 ( 5.066 2.827 4.945) 7.623 2.983 ( -2.271 -2.125 4.331) 5.332 3.056 ( -2.925 5.721 11.929) 13.550 3.185 ( -1.210 -5.250 10.275) 11.602 3.529 ( -1.586 12.857 -0.627) 12.969 3.767 ( 1.042 2.880 -2.790) 4.143 3.830 ( -0.636 -4.871 -0.593) 4.948 3.885 ( 2.544 -13.985 -2.526) 14.437 4.145 ( -0.634 8.820 1.473) 8.965 4.318 ( 1.272 -6.389 -1.462) 6.676 4.557 ( -2.609 4.916 -1.780) 5.843 4.640 ( 4.546 0.111 -4.647) 6.502 4.739 ( 0.826 7.209 3.150) 7.910 4.837 ( 2.851 -3.010 -2.299) 4.741 5.062 ( -3.077 0.288 0.294) 3.104 5.137 ( -1.859 -5.125 2.466) 5.984 5.383 ( 1.749 0.926 -4.821) 5.211 5.439 ( 0.671 -3.281 -3.334) 4.726 5.635 ( -3.271 3.839 3.083) 5.911 5.759 ( -3.375 -6.836 1.029) 7.693 5.889 ( 0.212 1.899 -4.912) 5.271 5.909 ( 1.245 -0.231 -3.966) 4.163 6.219 ( 2.483 8.919 2.726) 9.651 6.310 ( 0.941 1.083 -3.140) 3.452 6.413 ( -2.597 -1.044 2.160) 3.536 6.495 ( -0.226 -8.133 1.234) 8.229 6.984 ( -3.247 -0.834 -2.382) 4.112 7.025 ( 2.050 -3.720 -2.694) 5.030 7.233 ( 2.726 3.373 -1.377) 4.550 7.341 ( -0.357 -7.146 -2.540) 7.593 7.705 ( -0.356 4.435 -5.534) 7.100 7.790 ( -1.604 -3.370 -4.877) 6.141 8.290 ( 2.814 4.766 -4.486) 7.124 8.378 ( 2.716 -2.870 -5.016) 6.385 8.624 ( -0.287 2.715 3.752) 4.640 8.698 ( -1.537 -3.669 1.494) 4.249 9.425 ( 0.509 5.728 6.251) 8.494 9.487 ( -0.044 -0.359 7.710) 7.719 10.021 ( -2.534 -0.050 0.062) 2.536 10.044 ( 0.060 -2.450 1.221) 2.738 10.467 ( 0.430 4.795 -0.819) 4.884 10.529 ( 0.546 -0.576 -0.876) 1.182 11.004 ( 4.067 5.593 -6.284) 9.343 11.028 ( 2.453 4.016 -5.493) 7.233 11.705 ( -2.400 4.205 0.741) 4.898 11.807 ( -2.581 -5.923 0.581) 6.487 11.984 ( -1.614 5.369 5.231) 7.668 12.124 ( -1.741 -7.606 2.717) 8.262 12.824 ( 0.746 0.864 1.198) 1.655 12.849 ( 0.629 -1.629 1.191) 2.114 13.323 ( -2.626 2.939 1.909) 4.379 13.367 ( -1.849 -1.135 0.358) 2.199 13.703 ( 1.487 7.960 4.203) 9.123 13.945 ( 0.941 -14.766 3.648) 15.239 14.539 ( 0.054 10.094 -4.014) 10.863 14.747 ( 0.928 -9.544 -4.572) 10.623 18.918 ( 0.186 9.488 -0.130) 9.491 19.066 ( 2.437 -3.184 -3.441) 5.284 19.340 ( -2.670 6.231 5.652) 8.826 19.570 ( -0.098 -13.482 1.322) 13.547 21.525 ( -2.421 11.903 2.387) 12.379 21.779 ( -2.244 -12.001 2.669) 12.497 22.459 ( 3.393 17.956 -7.422) 19.724 22.854 ( 4.534 -19.253 -8.030) 21.347 23.673 ( -0.296 5.359 2.345) 5.857 23.790 ( -0.537 -5.751 1.528) 5.975 24.345 ( 1.065 8.246 0.251) 8.319 24.502 ( 0.679 -6.394 -1.203) 6.542 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -9.446 13.467 5.324) 17.290 2.265 ( -4.801 2.139 3.594) 6.367 2.640 ( 0.754 7.518 1.133) 7.641 2.791 ( 1.204 -5.513 2.523) 6.182 2.891 ( -8.445 -1.155 2.363) 8.845 2.943 ( -4.890 -5.059 6.777) 9.769 3.114 ( 4.181 7.300 11.361) 14.137 3.240 ( 3.884 -4.362 10.751) 12.235 3.550 ( 2.202 11.024 -2.179) 11.451 3.730 ( -3.231 -0.125 -1.812) 3.706 3.787 ( -2.610 -2.308 -0.889) 3.596 3.923 ( 0.929 -10.871 -0.778) 10.938 4.027 ( -11.326 12.302 1.566) 16.795 4.274 ( -5.433 -9.450 -0.211) 10.903 4.533 ( -0.316 9.640 -1.255) 9.726 4.697 ( 1.348 0.686 -3.279) 3.611 4.733 ( -1.347 5.044 1.697) 5.490 4.831 ( -10.616 -3.124 -6.516) 12.842 4.879 ( -7.122 -0.732 0.097) 7.160 4.968 ( -11.356 -6.578 5.228) 14.127 5.315 ( -10.157 3.016 -1.587) 10.714 5.387 ( -6.388 -3.477 -1.577) 7.442 5.557 ( -1.555 4.472 -0.564) 4.768 5.699 ( 0.309 -6.818 1.003) 6.899 5.853 ( -0.471 3.390 -6.129) 7.019 5.909 ( -0.792 -2.776 -4.487) 5.335 6.268 ( 0.756 3.716 0.878) 3.892 6.338 ( 0.552 -0.651 -1.752) 1.949 6.449 ( 5.455 1.287 0.372) 5.617 6.536 ( 4.907 -5.419 -0.706) 7.345 6.921 ( -2.680 2.795 -0.004) 3.872 7.056 ( 1.579 -7.934 -3.565) 8.840 7.312 ( 3.767 1.562 -0.328) 4.091 7.393 ( 5.356 -5.000 -2.163) 7.640 7.684 ( 0.096 2.695 -7.082) 7.578 7.736 ( -2.063 -1.951 -4.466) 5.292 8.345 ( 3.944 5.450 -5.741) 8.844 8.422 ( 3.158 -1.243 -5.648) 6.589 8.621 ( -1.199 0.462 4.577) 4.754 8.659 ( -2.709 -2.585 2.223) 4.355 9.433 ( -1.769 5.349 7.399) 9.300 9.485 ( -2.792 -0.032 8.721) 9.158 9.981 ( -1.502 1.966 -0.664) 2.561 10.052 ( 1.051 -3.900 -0.893) 4.137 10.489 ( 2.098 3.876 -1.128) 4.550 10.538 ( 0.493 -0.016 -0.855) 0.987 11.022 ( -0.262 6.310 -3.679) 7.309 11.077 ( 3.516 1.721 -4.521) 5.981 11.652 ( -2.854 4.052 0.795) 5.019 11.764 ( -1.680 -6.844 -0.186) 7.050 11.955 ( -3.166 4.687 5.330) 7.772 12.083 ( -3.043 -7.154 2.362) 8.125 12.845 ( 1.034 1.651 0.334) 1.976 12.882 ( 1.484 -1.788 1.131) 2.584 13.290 ( -0.072 3.994 1.601) 4.303 13.367 ( 1.766 -2.978 0.074) 3.463 13.750 ( 1.681 6.877 4.879) 8.598 13.950 ( -1.638 -12.235 4.230) 13.048 14.498 ( -2.978 10.472 -4.426) 11.752 14.715 ( -2.837 -10.035 -4.340) 11.296 18.998 ( 7.847 9.303 0.180) 12.172 19.157 ( 7.559 -5.170 -2.037) 9.381 19.362 ( 3.674 10.735 4.166) 12.087 19.637 ( 6.546 -13.731 0.765) 15.231 21.458 ( -4.780 10.890 0.418) 11.900 21.696 ( -6.729 -11.472 0.887) 13.330 22.441 ( -3.045 17.550 -5.751) 18.718 22.825 ( -5.438 -18.603 -5.566) 20.165 23.675 ( -0.246 4.435 2.303) 5.004 23.770 ( -2.064 -4.251 1.431) 4.938 24.351 ( -0.636 6.041 0.734) 6.119 24.485 ( -2.084 -6.313 -0.624) 6.677 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -7.686 17.469 9.090) 21.140 2.198 ( -4.447 1.465 6.076) 7.670 2.573 ( -13.848 5.655 8.813) 17.361 2.667 ( -5.800 3.244 -3.173) 7.364 2.807 ( -9.988 -9.970 5.187) 15.036 2.829 ( -5.146 -4.456 -0.385) 6.818 3.221 ( 3.037 5.195 7.138) 9.336 3.321 ( 0.938 -4.563 6.086) 7.664 3.581 ( 2.417 7.617 1.419) 8.116 3.683 ( -2.569 -0.446 1.217) 2.877 3.744 ( -2.403 4.999 0.435) 5.564 3.797 ( -9.925 6.137 4.946) 12.674 3.893 ( -3.488 2.506 -0.219) 4.300 4.150 ( -6.072 -12.758 -0.126) 14.130 4.417 ( -12.621 4.727 -3.814) 14.006 4.554 ( -8.539 -7.032 -5.157) 12.205 4.626 ( -7.827 3.428 -2.495) 8.902 4.669 ( -8.383 3.593 -0.118) 9.121 4.753 ( -0.766 3.808 0.923) 3.992 4.963 ( 1.845 -11.154 1.068) 11.356 5.102 ( -6.993 7.733 0.410) 10.434 5.269 ( -2.299 -7.672 0.953) 8.065 5.582 ( 3.019 6.744 -2.685) 7.862 5.738 ( 1.153 -4.005 -0.276) 4.177 5.853 ( 1.903 -0.973 -0.810) 2.286 5.871 ( -1.407 -1.065 -4.428) 4.767 6.272 ( 0.557 0.676 -2.758) 2.893 6.309 ( -1.376 -1.050 -3.570) 3.967 6.565 ( 6.018 2.024 -2.921) 6.989 6.627 ( 4.493 -3.390 -5.572) 7.920 6.897 ( -0.052 3.835 3.781) 5.385 7.068 ( 1.156 -10.594 -1.372) 10.744 7.362 ( 1.278 1.757 -1.097) 2.434 7.426 ( -2.256 -3.952 0.780) 4.617 7.632 ( -3.574 3.370 -6.942) 8.505 7.700 ( -1.028 -2.115 -5.530) 6.009 8.380 ( 1.604 5.118 -6.920) 8.756 8.453 ( 2.061 -0.981 -6.702) 7.080 8.599 ( -2.568 -0.013 3.168) 4.078 8.631 ( -0.940 -1.787 3.031) 3.642 9.405 ( -3.807 3.851 8.524) 10.099 9.441 ( -4.590 0.668 9.481) 10.555 9.962 ( -0.135 5.049 -1.500) 5.268 10.083 ( 2.729 -4.818 -3.310) 6.451 10.529 ( 1.943 2.492 -2.186) 3.842 10.550 ( 1.581 -0.111 0.378) 1.629 10.983 ( -2.663 6.602 -1.853) 7.356 11.084 ( -2.295 -2.114 -4.381) 5.379 11.637 ( 1.381 3.886 4.453) 6.070 11.758 ( 1.132 -7.520 1.363) 7.726 11.902 ( -3.829 4.673 5.370) 8.083 12.035 ( -2.424 -7.369 2.071) 8.029 12.855 ( 0.050 1.782 -0.886) 1.991 12.886 ( -1.414 -1.128 0.042) 1.809 13.358 ( 6.606 4.374 2.467) 8.298 13.446 ( 6.375 -3.714 0.763) 7.417 13.788 ( 0.678 4.319 4.134) 6.017 13.913 ( -3.455 -7.708 3.858) 9.286 14.400 ( -5.762 10.060 -4.383) 12.394 14.612 ( -6.535 -10.108 -3.917) 12.658 19.166 ( 7.258 7.246 2.830) 10.639 19.300 ( 6.219 -5.774 2.578) 8.869 19.546 ( 16.674 15.022 -2.542) 22.586 19.821 ( 12.922 -10.854 -2.010) 16.995 21.367 ( -3.702 7.938 -1.732) 8.928 21.553 ( -7.380 -9.258 -1.502) 11.934 22.308 ( -9.416 13.764 -3.567) 17.054 22.614 ( -15.204 -15.276 -3.386) 21.818 23.674 ( -0.750 2.443 2.438) 3.531 23.727 ( -2.613 -2.328 1.462) 3.793 24.326 ( -2.071 3.728 0.342) 4.278 24.425 ( -3.922 -5.652 0.285) 6.885 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -7.627 20.598 11.366) 24.731 2.094 ( -8.603 15.171 8.485) 19.396 2.316 ( -11.502 -8.188 9.263) 16.887 2.528 ( -7.805 5.104 -1.832) 9.504 2.589 ( -12.132 -11.077 3.290) 16.755 2.706 ( -6.190 -3.345 0.883) 7.091 3.197 ( -7.562 8.424 4.403) 12.146 3.341 ( 1.142 -5.149 -0.882) 5.347 3.617 ( 0.347 6.447 9.850) 11.777 3.670 ( 1.348 4.985 3.831) 6.430 3.697 ( -2.782 1.360 -0.241) 3.106 3.751 ( 1.620 -1.032 5.210) 5.553 3.866 ( 0.460 4.720 0.288) 4.751 4.049 ( -5.226 -10.232 -0.421) 11.497 4.242 ( -1.476 7.634 -5.724) 9.655 4.421 ( -9.930 3.313 -1.343) 10.554 4.445 ( -3.438 -8.907 -0.299) 9.552 4.494 ( -7.389 -1.698 -4.662) 8.901 4.770 ( 1.603 4.113 -1.430) 4.640 4.945 ( -2.211 -6.913 -0.216) 7.261 5.105 ( 3.361 5.368 1.152) 6.437 5.316 ( 4.688 -9.809 1.236) 10.942 5.626 ( 1.747 5.566 -2.201) 6.235 5.720 ( -2.127 -1.498 -2.504) 3.610 5.819 ( -3.766 1.022 -1.698) 4.256 5.885 ( 1.331 -5.687 -1.749) 6.096 6.291 ( 2.431 1.446 -3.581) 4.563 6.317 ( 4.912 -0.259 -2.919) 5.720 6.634 ( 1.551 3.284 -4.521) 5.799 6.695 ( 5.777 -2.622 -7.176) 9.578 6.936 ( 2.927 4.139 3.592) 6.213 7.104 ( 3.237 -9.346 -2.176) 10.127 7.333 ( -5.191 -1.199 2.879) 6.056 7.363 ( -2.278 -2.201 -0.603) 3.224 7.524 ( -4.886 5.144 -5.247) 8.824 7.622 ( -5.101 -3.434 -5.446) 8.214 8.371 ( -0.089 4.178 -5.518) 6.922 8.451 ( -0.223 -2.833 -6.688) 7.267 8.558 ( -2.316 2.598 1.722) 3.883 8.619 ( -1.105 -2.206 0.703) 2.565 9.342 ( -5.339 3.117 9.303) 11.170 9.386 ( -3.846 0.121 8.728) 9.539 9.964 ( 0.791 8.104 -2.004) 8.386 10.125 ( 2.734 -5.591 -5.422) 8.254 10.550 ( 1.411 3.025 -0.851) 3.445 10.596 ( 2.254 -1.961 0.322) 3.005 10.927 ( -2.351 3.299 -0.669) 4.105 10.974 ( -6.462 -0.609 -4.673) 7.998 11.718 ( 2.854 1.230 11.047) 11.476 11.809 ( 2.608 -6.545 5.478) 8.925 11.857 ( -1.577 6.312 2.574) 6.997 12.014 ( -0.046 -7.999 0.380) 8.008 12.842 ( -1.704 1.225 0.853) 2.266 12.858 ( 0.132 -0.309 0.048) 0.340 13.530 ( 9.383 2.800 1.980) 9.990 13.587 ( 6.724 -2.445 -0.039) 7.155 13.798 ( -0.616 1.645 2.980) 3.460 13.851 ( -3.804 -3.176 2.691) 5.639 14.270 ( -5.520 8.546 -3.775) 10.851 14.454 ( -8.195 -8.977 -3.416) 12.626 19.253 ( 0.957 7.577 4.459) 8.843 19.389 ( 1.568 -5.536 4.942) 7.585 19.941 ( 23.165 10.651 -8.349) 26.829 20.094 ( 15.741 -3.955 -4.435) 16.825 21.342 ( 2.896 3.495 -3.930) 6.003 21.445 ( -1.628 -5.946 -4.417) 7.584 22.071 ( -14.183 7.253 -0.665) 15.944 22.236 ( -23.089 -8.624 -0.670) 24.656 23.659 ( -1.668 1.563 2.914) 3.703 23.693 ( -1.108 -1.602 1.392) 2.394 24.286 ( -1.733 2.043 -0.318) 2.697 24.347 ( -4.100 -3.809 0.403) 5.611 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -9.353 0.000 19.577) 21.696 1.110 ( -1.906 0.000 24.170) 24.245 1.909 ( 9.282 0.000 -5.733) 10.910 2.061 ( 0.151 0.000 43.552) 43.552 2.650 ( 3.066 0.000 -13.171) 13.523 3.041 ( -6.274 0.000 4.415) 7.672 3.296 ( -1.149 0.000 4.727) 4.865 3.384 ( 0.913 0.000 1.705) 1.934 3.497 ( -18.879 0.000 -1.300) 18.924 3.639 ( -0.988 0.000 -0.038) 0.989 3.697 ( 0.180 0.000 1.224) 1.237 3.741 ( 2.235 0.000 1.258) 2.565 3.762 ( 9.998 0.000 -1.224) 10.073 3.890 ( -1.879 0.000 -6.980) 7.229 4.185 ( -11.164 0.000 -0.959) 11.205 4.193 ( 0.203 0.000 10.491) 10.493 4.425 ( 3.445 0.000 -6.808) 7.630 4.537 ( 3.282 0.000 3.600) 4.871 4.637 ( 19.261 0.000 7.550) 20.687 5.007 ( -11.795 0.000 -0.560) 11.808 5.160 ( 4.527 0.000 -10.350) 11.297 5.457 ( -0.151 0.000 5.295) 5.297 5.492 ( -1.803 0.000 0.937) 2.032 5.960 ( -2.580 0.000 -1.374) 2.923 6.022 ( 9.837 0.000 -3.650) 10.492 6.092 ( -0.830 0.000 11.774) 11.803 6.215 ( 6.050 0.000 -9.599) 11.347 6.289 ( -3.542 0.000 1.811) 3.978 6.621 ( 0.649 0.000 -5.429) 5.468 6.641 ( -4.832 0.000 -4.272) 6.449 7.135 ( -9.850 0.000 0.981) 9.899 7.184 ( 2.261 0.000 3.028) 3.779 7.308 ( 6.228 0.000 -5.577) 8.360 7.444 ( 1.360 0.000 -4.817) 5.005 7.687 ( 1.289 0.000 2.791) 3.074 7.712 ( -4.977 0.000 2.403) 5.527 8.101 ( 2.785 0.000 -4.546) 5.331 8.263 ( -4.828 0.000 -1.808) 5.155 8.263 ( 3.312 0.000 -2.689) 4.267 8.365 ( -0.878 0.000 -5.810) 5.875 9.249 ( -0.081 0.000 3.284) 3.285 9.319 ( -8.178 0.000 6.157) 10.237 9.626 ( 0.692 0.000 -5.386) 5.430 9.727 ( 1.960 0.000 -5.521) 5.859 10.220 ( 0.488 0.000 -2.670) 2.714 10.262 ( 1.466 0.000 -3.440) 3.739 10.794 ( -3.223 0.000 2.028) 3.808 10.927 ( -0.206 0.000 -0.489) 0.530 11.844 ( -2.296 0.000 8.442) 8.749 12.132 ( 2.405 0.000 -1.134) 2.659 12.409 ( -0.142 0.000 4.180) 4.182 12.525 ( -7.245 0.000 -0.452) 7.260 13.012 ( 1.820 0.000 5.373) 5.673 13.384 ( -11.244 0.000 -6.584) 13.030 13.707 ( 12.747 0.000 2.439) 12.978 13.786 ( -17.908 0.000 -0.219) 17.910 13.792 ( 3.289 0.000 0.216) 3.296 13.900 ( 14.930 0.000 -1.930) 15.054 14.210 ( -21.445 0.000 5.701) 22.190 14.537 ( 42.054 0.000 -3.275) 42.181 18.664 ( 3.018 0.000 3.104) 4.330 18.785 ( -3.763 0.000 -0.428) 3.787 19.820 ( -9.042 0.000 5.952) 10.825 20.293 ( 26.961 0.000 -6.758) 27.795 21.454 ( -6.031 0.000 2.142) 6.400 21.592 ( -8.590 0.000 -3.171) 9.157 21.655 ( 13.926 0.000 -0.058) 13.927 21.809 ( -22.207 0.000 -3.047) 22.415 23.689 ( -0.775 0.000 0.370) 0.858 23.727 ( 1.437 0.000 -1.361) 1.980 24.231 ( -20.090 0.000 2.038) 20.193 24.295 ( 3.251 0.000 -0.350) 3.269 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 9.758 0.000 23.117) 25.092 1.320 ( 37.400 0.000 8.763) 38.412 2.264 ( 6.961 0.000 40.630) 41.222 2.277 ( 27.931 0.000 -2.679) 28.059 2.679 ( 4.667 0.000 -11.972) 12.849 2.995 ( -2.628 0.000 3.966) 4.757 3.133 ( -14.113 0.000 -6.263) 15.440 3.281 ( -4.119 0.000 8.959) 9.861 3.378 ( -3.139 0.000 3.810) 4.937 3.700 ( 7.793 0.000 0.389) 7.802 3.770 ( 7.373 0.000 0.549) 7.393 3.831 ( 5.276 0.000 -1.440) 5.469 3.838 ( -0.102 0.000 -4.204) 4.206 3.901 ( -16.137 0.000 -3.149) 16.441 4.076 ( 20.650 0.000 -0.333) 20.652 4.141 ( -3.802 0.000 5.120) 6.377 4.488 ( -1.329 0.000 -2.602) 2.922 4.600 ( 3.009 0.000 1.837) 3.526 4.759 ( -8.166 0.000 9.631) 12.627 4.970 ( 11.064 0.000 -4.221) 11.842 5.212 ( 2.949 0.000 -4.859) 5.683 5.453 ( -1.695 0.000 -1.658) 2.371 5.476 ( 0.842 0.000 5.104) 5.173 5.971 ( 3.175 0.000 -2.649) 4.135 6.090 ( 1.331 0.000 -10.775) 10.857 6.092 ( -3.252 0.000 13.027) 13.427 6.215 ( -3.069 0.000 1.806) 3.561 6.405 ( 11.337 0.000 -2.693) 11.653 6.545 ( -3.060 0.000 -6.030) 6.762 6.642 ( 2.325 0.000 -4.418) 4.992 7.087 ( 1.997 0.000 -1.503) 2.499 7.196 ( -1.082 0.000 3.671) 3.827 7.342 ( -1.463 0.000 -3.536) 3.827 7.444 ( 2.156 0.000 -13.304) 13.477 7.703 ( 1.104 0.000 1.730) 2.053 7.823 ( 9.991 0.000 2.385) 10.272 8.069 ( -5.235 0.000 -3.300) 6.189 8.229 ( 2.729 0.000 -2.293) 3.565 8.289 ( 2.167 0.000 -5.236) 5.667 8.440 ( 8.553 0.000 -4.661) 9.741 9.211 ( -4.302 0.000 8.957) 9.937 9.300 ( 2.553 0.000 3.528) 4.355 9.658 ( 4.560 0.000 -5.818) 7.392 9.739 ( 0.848 0.000 -4.084) 4.171 10.245 ( 2.883 0.000 -2.696) 3.947 10.275 ( 1.007 0.000 -4.300) 4.417 10.718 ( -5.393 0.000 3.479) 6.418 10.883 ( -4.199 0.000 -0.536) 4.233 11.822 ( -2.500 0.000 7.779) 8.171 12.203 ( 4.852 0.000 -1.012) 4.956 12.386 ( -8.811 0.000 5.994) 10.657 12.423 ( 0.549 0.000 4.524) 4.558 13.062 ( 1.165 0.000 6.788) 6.888 13.121 ( -13.758 0.000 -4.114) 14.360 13.473 ( -12.168 0.000 1.644) 12.278 13.780 ( -2.966 0.000 -0.112) 2.968 13.804 ( -21.315 0.000 3.361) 21.578 13.902 ( 7.494 0.000 0.194) 7.496 14.211 ( 16.851 0.000 -2.896) 17.098 15.090 ( 15.325 0.000 -11.858) 19.376 18.701 ( -0.748 0.000 4.879) 4.936 18.730 ( -1.495 0.000 -1.876) 2.399 19.721 ( -1.914 0.000 1.236) 2.278 20.407 ( -13.840 0.000 4.396) 14.521 21.344 ( -5.388 0.000 1.413) 5.570 21.497 ( 7.113 0.000 -13.078) 14.887 21.969 ( 16.380 0.000 6.184) 17.509 21.971 ( 31.283 0.000 -12.738) 33.777 23.680 ( -0.278 0.000 -0.336) 0.436 23.728 ( -1.942 0.000 1.006) 2.187 23.993 ( -5.368 0.000 7.487) 9.212 24.364 ( 3.556 0.000 1.287) 3.782 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 12.761 0.000 19.277) 23.119 1.963 ( 23.295 0.000 5.206) 23.870 2.519 ( 6.201 0.000 22.575) 23.411 2.681 ( -10.049 0.000 7.893) 12.778 2.759 ( 5.517 0.000 -3.240) 6.398 2.859 ( 17.162 0.000 -6.686) 18.419 3.151 ( 8.775 0.000 -1.371) 8.882 3.264 ( 1.870 0.000 11.469) 11.620 3.284 ( -8.161 0.000 2.105) 8.428 3.637 ( -8.109 0.000 -2.503) 8.486 3.778 ( 0.153 0.000 -2.345) 2.350 3.905 ( 8.010 0.000 1.098) 8.085 3.952 ( 3.292 0.000 3.106) 4.526 3.962 ( 12.184 0.000 -0.131) 12.185 4.135 ( 3.169 0.000 2.332) 3.935 4.365 ( -6.071 0.000 0.946) 6.145 4.494 ( 22.439 0.000 -2.319) 22.559 4.685 ( 5.930 0.000 0.846) 5.990 4.773 ( 7.224 0.000 1.613) 7.402 5.131 ( 6.282 0.000 -2.122) 6.631 5.215 ( -1.743 0.000 -1.969) 2.630 5.441 ( 1.370 0.000 -3.820) 4.058 5.528 ( 3.003 0.000 5.221) 6.023 6.010 ( -1.748 0.000 4.705) 5.019 6.047 ( -2.220 0.000 -4.438) 4.963 6.070 ( -1.221 0.000 7.285) 7.386 6.203 ( 1.991 0.000 -4.059) 4.521 6.472 ( -1.858 0.000 -6.635) 6.890 6.522 ( -0.110 0.000 -1.462) 1.466 6.647 ( -0.736 0.000 -3.045) 3.133 7.098 ( -0.790 0.000 -2.083) 2.227 7.197 ( -3.795 0.000 -0.245) 3.802 7.265 ( -0.550 0.000 -1.057) 1.192 7.413 ( -0.714 0.000 -18.994) 19.008 7.724 ( 0.529 0.000 0.714) 0.889 7.883 ( -6.619 0.000 0.476) 6.636 8.063 ( 7.778 0.000 -0.747) 7.813 8.294 ( 3.946 0.000 -2.630) 4.742 8.342 ( 5.170 0.000 -4.981) 7.179 8.594 ( 8.201 0.000 -7.820) 11.332 9.180 ( -2.325 0.000 10.211) 10.472 9.383 ( 4.552 0.000 4.963) 6.734 9.726 ( 0.729 0.000 -4.754) 4.809 9.773 ( 7.374 0.000 -3.890) 8.337 10.270 ( 0.082 0.000 -5.403) 5.404 10.303 ( 3.763 0.000 -2.920) 4.763 10.622 ( -5.497 0.000 3.729) 6.643 10.768 ( -7.477 0.000 -0.627) 7.503 11.798 ( -2.590 0.000 7.848) 8.264 12.228 ( -9.849 0.000 10.009) 14.042 12.254 ( -0.016 0.000 -2.241) 2.242 12.489 ( 4.467 0.000 5.601) 7.164 12.863 ( -10.967 0.000 -2.803) 11.320 13.097 ( 0.740 0.000 6.014) 6.059 13.342 ( -3.295 0.000 1.125) 3.482 13.463 ( -14.532 0.000 2.393) 14.728 13.706 ( -4.418 0.000 0.511) 4.448 14.003 ( 3.484 0.000 -2.650) 4.377 14.490 ( 12.990 0.000 -2.269) 13.187 15.155 ( -1.856 0.000 -6.965) 7.208 18.667 ( -4.268 0.000 5.956) 7.327 18.719 ( 1.175 0.000 -3.229) 3.437 19.756 ( 5.202 0.000 -2.118) 5.617 20.135 ( -14.588 0.000 10.078) 17.731 21.259 ( -4.147 0.000 1.630) 4.456 21.543 ( 2.759 0.000 -13.244) 13.528 22.277 ( 12.227 0.000 10.927) 16.399 22.614 ( 35.701 0.000 -24.729) 43.429 23.675 ( 0.055 0.000 -1.282) 1.283 23.683 ( -2.766 0.000 4.385) 5.185 24.034 ( 6.208 0.000 2.778) 6.801 24.423 ( 1.841 0.000 1.738) 2.532 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 1.689 0.000 16.395) 16.482 2.193 ( -0.447 0.000 4.348) 4.371 2.477 ( -4.596 0.000 -0.318) 4.607 2.603 ( -0.796 0.000 16.409) 16.428 2.882 ( 9.229 0.000 -0.515) 9.243 3.029 ( -14.090 0.000 4.357) 14.748 3.160 ( 11.265 0.000 3.139) 11.695 3.362 ( 3.081 0.000 3.513) 4.673 3.398 ( 11.575 0.000 -2.077) 11.759 3.607 ( 4.065 0.000 0.986) 4.183 3.729 ( -4.618 0.000 2.338) 5.176 3.888 ( -6.493 0.000 4.388) 7.836 4.120 ( -4.229 0.000 -3.408) 5.432 4.190 ( 13.445 0.000 5.022) 14.352 4.195 ( 10.644 0.000 -0.539) 10.657 4.491 ( 16.764 0.000 5.982) 17.799 4.820 ( 9.487 0.000 1.261) 9.571 4.870 ( 14.716 0.000 -4.978) 15.536 4.933 ( 6.181 0.000 -2.622) 6.714 5.144 ( -5.062 0.000 -3.527) 6.170 5.205 ( 2.844 0.000 -0.873) 2.975 5.475 ( 4.120 0.000 -5.316) 6.725 5.615 ( 3.515 0.000 6.529) 7.416 5.929 ( -7.748 0.000 4.578) 9.000 5.986 ( -4.928 0.000 -0.998) 5.028 6.041 ( -3.940 0.000 8.350) 9.233 6.251 ( 4.575 0.000 -6.208) 7.712 6.426 ( -6.360 0.000 1.146) 6.462 6.501 ( 7.772 0.000 -7.706) 10.945 6.603 ( -2.811 0.000 -2.811) 3.975 6.984 ( -14.252 0.000 -2.534) 14.476 7.026 ( -5.363 0.000 -7.218) 8.992 7.340 ( -0.332 0.000 -12.217) 12.221 7.350 ( 5.011 0.000 -2.432) 5.570 7.740 ( 1.736 0.000 0.254) 1.754 7.761 ( -4.952 0.000 0.803) 5.017 8.184 ( 4.020 0.000 -0.285) 4.030 8.358 ( 4.101 0.000 -3.628) 5.476 8.436 ( 5.467 0.000 -5.148) 7.509 8.670 ( 2.187 0.000 -8.235) 8.520 9.177 ( -1.536 0.000 11.205) 11.309 9.496 ( 5.104 0.000 7.306) 8.913 9.704 ( -1.227 0.000 -3.319) 3.539 9.935 ( 10.165 0.000 -4.819) 11.250 10.251 ( 0.175 0.000 -6.160) 6.162 10.344 ( 0.233 0.000 -3.480) 3.488 10.545 ( -3.449 0.000 2.935) 4.529 10.620 ( -6.360 0.000 -0.453) 6.376 11.773 ( -2.535 0.000 8.521) 8.890 12.098 ( -6.653 0.000 10.634) 12.544 12.209 ( -2.908 0.000 -2.745) 3.999 12.500 ( -5.749 0.000 1.484) 5.937 12.795 ( 4.476 0.000 1.356) 4.676 13.133 ( 1.318 0.000 3.064) 3.336 13.277 ( -6.260 0.000 3.302) 7.078 13.301 ( -2.462 0.000 1.939) 3.134 13.634 ( -3.020 0.000 1.641) 3.437 14.025 ( 0.282 0.000 -4.543) 4.551 14.686 ( 8.223 0.000 -1.309) 8.327 15.060 ( -5.085 0.000 -4.848) 7.026 18.595 ( -4.723 0.000 5.519) 7.265 18.752 ( 3.405 0.000 -3.978) 5.236 19.879 ( 7.803 0.000 -2.624) 8.233 19.917 ( -11.696 0.000 8.860) 14.673 21.196 ( -2.972 0.000 1.544) 3.349 21.545 ( 1.861 0.000 -11.944) 12.088 22.465 ( 2.815 0.000 13.004) 13.306 23.101 ( 22.999 0.000 -19.660) 30.256 23.649 ( -2.647 0.000 3.811) 4.640 23.677 ( 0.768 0.000 -1.850) 2.003 24.212 ( 11.834 0.000 -1.349) 11.910 24.437 ( -0.897 0.000 0.730) 1.157 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -10.345 0.000 13.738) 17.197 2.063 ( -12.473 0.000 10.595) 16.366 2.455 ( -3.879 0.000 -2.248) 4.484 2.633 ( -0.823 0.000 7.546) 7.590 2.872 ( -0.317 0.000 7.228) 7.235 3.092 ( 11.303 0.000 2.994) 11.693 3.342 ( 6.603 0.000 4.342) 7.903 3.413 ( 3.266 0.000 -1.797) 3.728 3.586 ( 9.026 0.000 3.420) 9.653 3.639 ( -5.733 0.000 2.397) 6.213 3.747 ( 9.616 0.000 0.499) 9.629 3.769 ( -6.973 0.000 3.434) 7.772 4.029 ( -3.490 0.000 -2.981) 4.589 4.309 ( 1.351 0.000 0.490) 1.438 4.319 ( -3.173 0.000 6.265) 7.023 4.739 ( -0.130 0.000 5.690) 5.691 4.926 ( -5.456 0.000 -1.961) 5.798 4.946 ( -1.957 0.000 -1.493) 2.462 4.976 ( -5.596 0.000 -5.288) 7.699 5.066 ( 5.759 0.000 -1.630) 5.986 5.287 ( 5.701 0.000 -0.806) 5.757 5.522 ( -0.640 0.000 -8.418) 8.442 5.649 ( -3.146 0.000 7.999) 8.595 5.804 ( -3.099 0.000 1.622) 3.498 5.835 ( -6.787 0.000 -0.292) 6.793 6.064 ( 4.713 0.000 8.925) 10.094 6.312 ( 1.756 0.000 -6.327) 6.566 6.391 ( 1.276 0.000 3.055) 3.310 6.546 ( -1.300 0.000 -4.074) 4.276 6.619 ( 2.032 0.000 -3.717) 4.236 6.736 ( -6.612 0.000 -3.382) 7.427 6.946 ( 4.546 0.000 -12.029) 12.859 7.326 ( 1.023 0.000 -5.479) 5.574 7.377 ( -1.166 0.000 -4.468) 4.617 7.718 ( -0.047 0.000 0.831) 0.832 7.813 ( 6.173 0.000 -0.831) 6.229 8.206 ( -1.296 0.000 -0.765) 1.505 8.427 ( 3.858 0.000 -3.496) 5.207 8.483 ( 0.126 0.000 -4.143) 4.145 8.638 ( -2.040 0.000 -8.108) 8.361 9.189 ( -1.059 0.000 11.594) 11.642 9.613 ( 4.557 0.000 6.609) 8.027 9.668 ( -1.183 0.000 -3.734) 3.917 10.093 ( 5.796 0.000 -2.434) 6.286 10.244 ( -6.868 0.000 -6.909) 9.742 10.251 ( 1.526 0.000 -4.451) 4.705 10.522 ( 0.893 0.000 1.158) 1.463 10.593 ( 3.161 0.000 0.003) 3.161 11.760 ( -1.722 0.000 9.691) 9.843 12.054 ( -1.334 0.000 11.059) 11.139 12.152 ( -1.800 0.000 -3.016) 3.512 12.402 ( -3.002 0.000 -0.690) 3.080 12.903 ( 4.296 0.000 3.860) 5.775 13.140 ( -1.636 0.000 -1.376) 2.138 13.228 ( -0.536 0.000 4.185) 4.219 13.245 ( -4.317 0.000 4.029) 5.905 13.621 ( 1.145 0.000 3.247) 3.443 13.998 ( -1.134 0.000 -5.809) 5.919 14.798 ( 3.729 0.000 0.198) 3.734 14.948 ( -5.075 0.000 -5.446) 7.444 18.533 ( -3.215 0.000 4.441) 5.482 18.818 ( 4.617 0.000 -3.817) 5.991 19.741 ( -9.247 0.000 6.855) 11.511 20.015 ( 6.536 0.000 -0.737) 6.578 21.157 ( -1.457 0.000 0.901) 1.713 21.545 ( 1.937 0.000 -10.750) 10.924 22.447 ( -8.559 0.000 11.485) 14.323 23.389 ( 13.195 0.000 -13.043) 18.553 23.584 ( -5.559 0.000 2.386) 6.049 23.695 ( 1.506 0.000 -1.246) 1.955 24.397 ( -3.029 0.000 -1.106) 3.225 24.454 ( 13.872 0.000 -4.432) 14.562 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -11.066 0.000 13.683) 17.598 1.859 ( -12.813 0.000 19.563) 23.386 2.284 ( -10.370 0.000 -0.052) 10.370 2.605 ( -3.485 0.000 0.108) 3.487 3.015 ( 9.231 0.000 6.152) 11.093 3.293 ( 7.953 0.000 1.639) 8.120 3.428 ( 0.505 0.000 5.192) 5.216 3.443 ( -19.478 0.000 5.428) 20.220 3.498 ( 5.860 0.000 -1.947) 6.175 3.681 ( -1.386 0.000 -1.050) 1.739 3.778 ( 9.949 0.000 5.408) 11.324 3.942 ( 8.140 0.000 1.315) 8.245 3.974 ( -1.679 0.000 -1.680) 2.376 4.119 ( -14.837 0.000 9.140) 17.426 4.273 ( -5.391 0.000 0.774) 5.446 4.585 ( -20.485 0.000 -4.763) 21.031 4.599 ( -13.914 0.000 2.292) 14.101 4.827 ( -15.187 0.000 -6.131) 16.378 4.862 ( -6.756 0.000 -0.612) 6.783 5.085 ( -1.374 0.000 0.499) 1.462 5.300 ( -2.036 0.000 -1.702) 2.653 5.472 ( 1.639 0.000 -10.497) 10.624 5.582 ( -6.001 0.000 7.848) 9.879 5.719 ( -7.668 0.000 2.256) 7.993 5.860 ( 5.523 0.000 5.235) 7.610 6.246 ( 8.037 0.000 7.541) 11.021 6.274 ( -1.452 0.000 -5.159) 5.360 6.453 ( 3.275 0.000 1.767) 3.721 6.534 ( 3.368 0.000 -10.089) 10.636 6.567 ( -2.180 0.000 -2.514) 3.328 6.782 ( 8.008 0.000 -0.555) 8.027 7.098 ( 10.603 0.000 -7.726) 13.119 7.308 ( -3.499 0.000 -5.614) 6.615 7.340 ( 2.510 0.000 -4.829) 5.442 7.740 ( 1.685 0.000 -0.401) 1.733 7.950 ( 7.804 0.000 -3.253) 8.455 8.144 ( -4.481 0.000 -1.002) 4.592 8.394 ( -7.801 0.000 -2.858) 8.308 8.463 ( 0.562 0.000 -2.554) 2.615 8.587 ( -0.405 0.000 -7.126) 7.138 9.208 ( -0.459 0.000 10.171) 10.181 9.643 ( -0.012 0.000 -4.469) 4.469 9.694 ( 2.210 0.000 1.204) 2.516 10.002 ( -9.684 0.000 -2.289) 9.951 10.230 ( 3.712 0.000 -7.243) 8.139 10.262 ( 0.139 0.000 -1.607) 1.613 10.604 ( 7.340 0.000 -0.210) 7.343 10.691 ( 6.365 0.000 -0.371) 6.376 11.772 ( -0.304 0.000 10.977) 10.981 12.125 ( -0.113 0.000 -3.258) 3.260 12.135 ( 6.539 0.000 14.595) 15.992 12.385 ( 0.555 0.000 0.181) 0.584 12.986 ( 4.274 0.000 4.190) 5.985 13.052 ( -6.261 0.000 -5.410) 8.275 13.171 ( -4.942 0.000 6.441) 8.119 13.270 ( 3.455 0.000 3.820) 5.150 13.689 ( 4.249 0.000 4.116) 5.916 13.949 ( -2.237 0.000 -6.292) 6.678 14.822 ( -6.578 0.000 -7.430) 9.923 14.827 ( -1.273 0.000 2.406) 2.722 18.506 ( -0.812 0.000 3.354) 3.451 18.891 ( 3.517 0.000 -2.378) 4.245 19.621 ( -4.578 0.000 4.281) 6.267 20.106 ( 2.290 0.000 3.068) 3.829 21.153 ( 1.225 0.000 -0.363) 1.277 21.553 ( 2.251 0.000 -9.599) 9.860 22.234 ( -15.988 0.000 7.494) 17.657 23.414 ( -10.087 0.000 -5.400) 11.441 23.566 ( 6.444 0.000 -4.117) 7.647 23.717 ( 0.809 0.000 -0.147) 0.822 24.327 ( -3.303 0.000 -2.672) 4.248 24.682 ( 11.217 0.000 -7.705) 13.608 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -13.149 0.000 17.076) 21.552 1.709 ( -11.394 0.000 26.889) 29.204 2.113 ( -7.839 0.000 -1.148) 7.922 2.458 ( -16.295 0.000 1.153) 16.335 2.908 ( -28.724 0.000 4.781) 29.119 3.192 ( 6.937 0.000 5.450) 8.821 3.379 ( -7.931 0.000 5.770) 9.808 3.388 ( -0.023 0.000 0.892) 0.892 3.618 ( 4.749 0.000 -2.814) 5.520 3.718 ( 8.291 0.000 -4.475) 9.422 3.866 ( -13.438 0.000 1.601) 13.533 3.951 ( -0.320 0.000 -0.784) 0.847 3.973 ( -0.379 0.000 3.115) 3.138 4.026 ( 1.503 0.000 14.975) 15.050 4.118 ( -1.976 0.000 -0.581) 2.059 4.238 ( -21.272 0.000 -1.937) 21.360 4.393 ( -11.093 0.000 -3.558) 11.649 4.419 ( -10.952 0.000 -2.779) 11.299 4.717 ( -8.675 0.000 1.534) 8.810 5.078 ( 1.450 0.000 -4.957) 5.165 5.270 ( -1.526 0.000 -0.426) 1.584 5.494 ( -4.856 0.000 6.102) 7.798 5.500 ( 2.825 0.000 1.258) 3.092 5.642 ( 1.722 0.000 -6.672) 6.891 5.972 ( 3.742 0.000 7.447) 8.334 6.226 ( -1.948 0.000 -4.785) 5.166 6.252 ( -7.792 0.000 3.966) 8.744 6.477 ( -1.922 0.000 -1.232) 2.283 6.596 ( 5.069 0.000 -9.397) 10.677 6.627 ( 6.208 0.000 -0.018) 6.208 6.941 ( 8.175 0.000 1.252) 8.270 7.232 ( -2.074 0.000 -6.283) 6.617 7.237 ( 5.827 0.000 -3.139) 6.619 7.396 ( 4.280 0.000 -6.443) 7.735 7.763 ( 0.285 0.000 -0.797) 0.847 8.045 ( 2.082 0.000 -5.521) 5.901 8.060 ( -2.789 0.000 -1.729) 3.281 8.217 ( -8.182 0.000 -0.327) 8.189 8.434 ( -2.635 0.000 -1.825) 3.205 8.563 ( -0.573 0.000 -7.669) 7.690 9.231 ( -0.147 0.000 7.051) 7.052 9.641 ( 1.311 0.000 -5.053) 5.220 9.682 ( -3.888 0.000 -3.310) 5.106 9.827 ( -7.151 0.000 -4.412) 8.403 10.251 ( -0.322 0.000 -1.784) 1.813 10.252 ( 0.642 0.000 -4.902) 4.944 10.750 ( 6.603 0.000 -0.972) 6.674 10.810 ( 5.854 0.000 -0.711) 5.897 11.812 ( 0.553 0.000 11.162) 11.175 12.120 ( 0.325 0.000 -3.198) 3.214 12.396 ( -0.136 0.000 2.662) 2.665 12.445 ( 21.807 0.000 19.748) 29.420 12.883 ( -9.046 0.000 -7.233) 11.583 13.115 ( -2.606 0.000 9.826) 10.166 13.136 ( 10.953 0.000 2.975) 11.350 13.378 ( 6.922 0.000 1.477) 7.077 13.787 ( 4.311 0.000 3.850) 5.780 13.864 ( -4.877 0.000 -5.475) 7.332 14.628 ( -11.639 0.000 -9.558) 15.061 14.754 ( -7.865 0.000 4.914) 9.274 18.525 ( 1.844 0.000 2.564) 3.159 18.916 ( -0.884 0.000 -0.124) 0.893 19.625 ( 4.724 0.000 1.814) 5.060 20.105 ( -4.367 0.000 7.289) 8.497 21.213 ( 5.708 0.000 -1.486) 5.898 21.572 ( 2.633 0.000 -8.542) 8.938 21.931 ( -16.373 0.000 2.950) 16.636 23.112 ( -19.942 0.000 -9.007) 21.881 23.653 ( 3.848 0.000 -3.380) 5.122 23.720 ( -0.487 0.000 0.525) 0.716 24.269 ( -1.603 0.000 -3.099) 3.489 24.790 ( 2.017 0.000 -12.947) 13.103 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -12.045 0.000 21.883) 24.979 1.411 ( -34.456 0.000 18.016) 38.882 1.947 ( -7.957 0.000 -4.806) 9.296 2.049 ( -16.317 0.000 32.679) 36.526 2.656 ( -1.794 0.000 -8.527) 8.714 3.196 ( -10.850 0.000 5.484) 12.157 3.311 ( 4.251 0.000 5.153) 6.680 3.341 ( -3.975 0.000 1.577) 4.276 3.641 ( 0.601 0.000 -0.841) 1.033 3.674 ( -3.224 0.000 -1.286) 3.471 3.815 ( -11.132 0.000 0.728) 11.155 3.841 ( -10.155 0.000 -0.794) 10.186 3.899 ( -20.349 0.000 -4.516) 20.844 3.931 ( -0.986 0.000 -5.981) 6.062 4.001 ( 11.485 0.000 3.149) 11.909 4.236 ( 14.325 0.000 13.773) 19.873 4.266 ( 2.934 0.000 2.485) 3.845 4.462 ( 2.809 0.000 2.509) 3.766 4.542 ( -9.356 0.000 0.265) 9.360 5.108 ( 4.181 0.000 -10.800) 11.581 5.196 ( -6.896 0.000 -0.328) 6.904 5.451 ( -1.484 0.000 5.282) 5.487 5.519 ( -1.737 0.000 3.529) 3.934 5.787 ( 13.632 0.000 -4.722) 14.426 6.044 ( 0.323 0.000 7.575) 7.582 6.089 ( -7.908 0.000 3.368) 8.596 6.189 ( 0.632 0.000 -8.181) 8.206 6.383 ( -6.117 0.000 -0.823) 6.172 6.634 ( 1.284 0.000 -7.248) 7.361 6.695 ( 0.561 0.000 -1.334) 1.447 7.090 ( 6.470 0.000 1.998) 6.771 7.216 ( 3.229 0.000 -6.059) 6.866 7.296 ( -0.754 0.000 -3.499) 3.580 7.423 ( 1.027 0.000 -4.559) 4.674 7.725 ( -3.788 0.000 1.177) 3.967 7.907 ( -12.599 0.000 -1.565) 12.695 8.054 ( 2.627 0.000 -3.821) 4.637 8.194 ( 3.619 0.000 -1.527) 3.928 8.361 ( -4.337 0.000 -1.765) 4.682 8.478 ( -5.834 0.000 -8.539) 10.341 9.243 ( -0.376 0.000 4.235) 4.252 9.515 ( -11.711 0.000 -0.815) 11.739 9.647 ( 0.117 0.000 -5.118) 5.120 9.723 ( -1.227 0.000 -5.645) 5.777 10.235 ( -0.658 0.000 -3.452) 3.514 10.248 ( 0.796 0.000 -2.693) 2.808 10.818 ( 0.789 0.000 -0.275) 0.836 10.897 ( 3.355 0.000 -0.626) 3.413 11.846 ( -0.730 0.000 9.897) 9.924 12.115 ( 0.287 0.000 -2.256) 2.274 12.400 ( -0.356 0.000 4.097) 4.113 12.686 ( -8.779 0.000 -5.948) 10.604 12.928 ( 10.588 0.000 4.375) 11.457 13.332 ( 31.966 0.000 21.436) 38.488 13.410 ( 15.943 0.000 2.346) 16.115 13.506 ( 3.973 0.000 -5.358) 6.671 13.757 ( -2.122 0.000 -1.139) 2.408 13.872 ( 3.805 0.000 3.994) 5.517 14.321 ( -15.769 0.000 -8.114) 17.734 14.549 ( -15.580 0.000 6.442) 16.860 18.587 ( 3.657 0.000 2.337) 4.341 18.864 ( -4.075 0.000 0.518) 4.108 19.836 ( 17.680 0.000 0.739) 17.696 19.989 ( -9.895 0.000 8.681) 13.163 21.366 ( 10.371 0.000 -0.213) 10.373 21.599 ( 2.763 0.000 -7.457) 7.953 21.667 ( -11.039 0.000 -0.547) 11.052 22.555 ( -36.113 0.000 -12.382) 38.177 23.699 ( 2.149 0.000 -2.192) 3.070 23.706 ( -1.061 0.000 0.675) 1.257 24.255 ( 1.104 0.000 -2.163) 2.428 24.626 ( -15.292 0.000 -12.526) 19.767 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.252 15.586 15.704) 22.991 1.441 ( -2.653 26.008 16.852) 31.104 1.940 ( 6.308 3.835 0.571) 7.404 2.170 ( 0.597 9.889 35.249) 36.615 2.773 ( 4.452 9.956 -9.805) 14.666 2.990 ( -5.458 -4.959 3.308) 8.082 3.230 ( -1.718 -6.102 2.729) 6.901 3.386 ( -3.169 -1.786 -1.682) 4.008 3.506 ( -13.269 0.175 -0.188) 13.272 3.546 ( 2.579 -1.716 1.496) 3.440 3.700 ( -0.274 -1.287 -2.730) 3.030 3.773 ( 1.813 0.862 4.632) 5.048 3.827 ( 4.315 6.258 -0.515) 7.619 3.902 ( -2.264 1.602 -5.071) 5.780 4.149 ( -2.706 -1.985 9.545) 10.118 4.325 ( -8.675 10.450 -1.101) 13.625 4.350 ( 6.690 -3.386 2.961) 8.061 4.514 ( 13.194 -1.136 3.115) 13.604 4.753 ( 3.938 4.773 -2.684) 6.745 4.932 ( -9.191 -6.788 -0.392) 11.433 5.205 ( 3.795 3.076 -10.519) 11.598 5.470 ( -0.725 1.866 5.077) 5.457 5.490 ( -2.876 -0.582 0.652) 3.006 5.856 ( 4.414 -8.435 1.570) 9.649 5.967 ( 2.319 -3.210 -0.951) 4.073 6.114 ( 1.653 -5.713 -6.941) 9.141 6.176 ( -0.507 0.832 3.790) 3.914 6.309 ( 0.518 2.379 -2.566) 3.537 6.596 ( 5.170 -1.518 -4.987) 7.342 6.671 ( -2.766 0.736 -5.950) 6.603 7.045 ( 0.852 -3.887 1.826) 4.378 7.190 ( -4.630 -6.266 -1.455) 7.926 7.285 ( -2.403 3.209 -1.023) 4.138 7.416 ( 1.084 -3.525 -1.298) 3.910 7.568 ( 1.772 -4.817 2.899) 5.895 7.678 ( 0.585 -3.930 0.721) 4.038 8.134 ( 3.707 2.337 -5.372) 6.933 8.252 ( 0.190 2.026 -6.334) 6.653 8.384 ( -4.375 2.376 -3.231) 5.935 8.479 ( 1.168 9.480 -2.669) 9.917 9.301 ( 0.239 5.126 4.770) 7.007 9.332 ( -7.188 1.820 8.110) 10.988 9.711 ( -0.178 5.648 -5.020) 7.558 9.854 ( 3.212 10.339 -9.091) 14.137 10.240 ( -3.368 3.727 -3.685) 6.230 10.325 ( 3.466 4.921 -3.944) 7.196 10.781 ( -3.348 -1.108 2.491) 4.318 10.924 ( -0.265 -0.336 -0.536) 0.686 11.841 ( -1.874 -0.167 7.926) 8.147 12.114 ( 2.858 -1.726 -0.038) 3.339 12.343 ( -0.864 -6.050 3.664) 7.125 12.460 ( -6.584 -6.095 1.270) 9.061 12.985 ( 2.051 -2.415 4.998) 5.918 13.344 ( -6.369 -6.512 -4.156) 10.012 13.583 ( 4.877 -10.956 10.485) 15.929 13.750 ( 9.081 -1.693 1.580) 9.371 13.809 ( -7.576 0.924 0.198) 7.635 13.886 ( 5.236 0.305 3.757) 6.452 14.060 ( 2.161 -4.018 1.921) 4.950 14.503 ( 7.499 -4.658 -5.598) 10.453 18.874 ( -3.947 9.214 0.804) 10.056 19.051 ( 5.023 26.420 -8.403) 28.176 19.796 ( -5.836 -1.887 5.824) 8.458 20.289 ( 20.347 -0.509 -7.006) 21.526 21.406 ( -3.408 -3.189 -0.010) 4.667 21.563 ( 7.581 -3.084 -4.568) 9.372 21.706 ( -3.302 3.809 0.249) 5.047 21.820 ( -18.252 0.831 -1.828) 18.362 23.668 ( -1.860 -0.682 2.007) 2.820 23.745 ( 2.313 0.628 -0.857) 2.546 24.244 ( -12.524 0.744 0.683) 12.565 24.294 ( 0.344 -0.051 -0.571) 0.668 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 24.663 10.631 11.832) 29.348 1.591 ( 15.052 22.648 13.669) 30.436 2.244 ( 21.389 -0.188 5.459) 22.075 2.358 ( 7.396 7.781 30.466) 32.302 2.848 ( 7.280 11.984 -9.830) 17.124 2.959 ( 0.336 -3.965 2.046) 4.474 3.140 ( -12.008 0.311 -6.313) 13.570 3.244 ( -3.882 -2.539 7.353) 8.693 3.389 ( -2.181 0.792 4.755) 5.291 3.608 ( 3.356 -3.741 1.525) 5.252 3.708 ( 1.007 -2.282 -0.463) 2.537 3.835 ( 2.941 1.851 -0.747) 3.554 3.862 ( 1.002 1.900 -1.325) 2.524 4.013 ( 4.568 -3.980 2.326) 6.490 4.112 ( 3.855 0.432 2.175) 4.447 4.169 ( -2.185 13.475 -5.193) 14.606 4.495 ( 5.864 -0.629 0.431) 5.914 4.588 ( -4.096 -0.949 4.864) 6.429 4.766 ( -3.477 0.583 4.054) 5.373 4.937 ( 11.403 -2.986 -4.203) 12.515 5.247 ( 3.049 2.385 -6.329) 7.419 5.409 ( -3.994 -1.965 0.278) 4.460 5.497 ( 1.139 0.664 4.213) 4.415 5.931 ( 3.587 -5.094 -0.317) 6.239 5.989 ( -0.187 -7.902 1.867) 8.122 6.085 ( -2.850 -5.346 0.033) 6.059 6.161 ( 0.233 0.126 -5.069) 5.076 6.397 ( 4.934 1.381 -1.811) 5.434 6.577 ( -1.236 -0.086 -2.286) 2.600 6.690 ( 3.085 2.873 -9.053) 9.986 7.038 ( -4.251 -3.951 0.421) 5.819 7.203 ( 6.970 0.437 1.527) 7.148 7.273 ( 1.439 -3.662 -6.470) 7.572 7.400 ( -1.834 -2.651 -2.399) 4.018 7.653 ( 3.453 -2.366 1.460) 4.433 7.748 ( 6.264 -5.959 0.103) 8.646 8.162 ( -0.478 3.812 -5.385) 6.615 8.230 ( 0.704 2.133 -6.357) 6.742 8.350 ( 2.462 2.362 -3.045) 4.573 8.525 ( 4.697 6.609 -3.267) 8.742 9.254 ( -3.890 3.754 9.814) 11.205 9.335 ( 1.852 4.014 5.117) 6.761 9.729 ( 3.802 5.675 -5.122) 8.538 9.891 ( 2.715 12.824 -7.610) 15.157 10.185 ( -1.014 -1.623 -2.806) 3.396 10.384 ( 3.926 6.678 -4.465) 8.941 10.709 ( -5.023 -0.768 3.874) 6.390 10.877 ( -4.443 -0.598 -0.647) 4.530 11.821 ( -2.563 -0.087 7.219) 7.661 12.189 ( 4.292 -1.397 -0.902) 4.603 12.340 ( -7.342 -4.210 6.191) 10.486 12.345 ( 0.194 -6.714 4.862) 8.292 13.044 ( 1.350 -1.705 6.032) 6.412 13.119 ( -11.818 -1.194 -3.910) 12.505 13.427 ( -12.484 -2.409 5.005) 13.664 13.754 ( -5.687 -2.268 -0.984) 6.202 13.818 ( -12.682 0.808 3.355) 13.143 13.923 ( 7.946 0.670 0.031) 7.974 14.185 ( 14.955 -1.684 -0.937) 15.078 14.808 ( 15.631 -19.939 -6.320) 26.112 18.804 ( -3.140 7.758 -0.064) 8.370 19.005 ( -7.037 21.263 -2.712) 22.561 19.730 ( -1.380 1.018 0.493) 1.784 20.338 ( -12.701 -5.611 3.015) 14.208 21.402 ( -5.486 4.825 1.250) 7.412 21.483 ( 6.327 -0.888 -11.242) 12.931 21.933 ( 29.673 -3.533 -11.941) 32.180 21.951 ( 13.655 -1.752 5.998) 15.017 23.643 ( -1.484 -0.676 3.236) 3.624 23.787 ( 2.296 1.838 -2.353) 3.766 24.039 ( -6.786 4.448 4.756) 9.406 24.364 ( 4.226 -0.184 1.018) 4.351 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 13.031 15.323 15.930) 25.659 2.033 ( 19.292 7.445 2.947) 20.888 2.531 ( -1.633 2.401 16.991) 17.237 2.604 ( 7.942 -1.410 17.267) 19.058 2.829 ( -3.193 2.761 -8.413) 9.413 3.056 ( 8.134 13.038 -2.107) 15.510 3.095 ( 11.007 -5.386 -6.214) 13.739 3.217 ( -1.954 -1.553 10.229) 10.529 3.371 ( -2.945 6.236 6.439) 9.435 3.603 ( 0.619 -0.732 0.459) 1.063 3.775 ( 2.375 -0.718 -2.183) 3.304 3.850 ( 3.964 -1.660 0.495) 4.326 3.940 ( -0.017 -1.662 4.894) 5.168 4.043 ( 9.994 1.461 0.932) 10.143 4.209 ( 2.619 7.475 -1.754) 8.113 4.245 ( 3.564 -4.065 -1.655) 5.654 4.611 ( 13.757 5.530 -0.440) 14.833 4.673 ( 9.512 -2.190 0.040) 9.761 4.788 ( 5.016 2.193 1.073) 5.578 5.088 ( 3.705 -3.203 -1.362) 5.083 5.261 ( 0.008 2.815 -2.373) 3.682 5.373 ( 1.166 -4.203 -2.206) 4.888 5.552 ( 3.071 0.751 4.573) 5.559 5.934 ( -2.437 -5.210 -0.303) 5.760 6.018 ( -2.727 -4.892 4.281) 7.049 6.039 ( 2.034 -3.503 1.079) 4.192 6.186 ( 3.821 -2.774 -3.343) 5.785 6.368 ( -5.061 -1.996 -5.074) 7.439 6.597 ( 0.614 1.068 -0.467) 1.318 6.678 ( -1.707 2.280 -7.567) 8.086 6.977 ( -1.996 -7.158 -2.362) 7.798 7.207 ( -0.905 -0.531 -2.989) 3.168 7.299 ( -5.939 0.756 -0.967) 6.064 7.395 ( 5.431 0.448 -8.092) 9.756 7.672 ( -0.473 -1.084 -2.428) 2.701 7.850 ( 1.508 -7.077 2.223) 7.569 8.116 ( -0.156 4.493 -4.326) 6.238 8.249 ( 2.803 -1.002 -7.206) 7.797 8.423 ( 4.945 3.907 -1.483) 6.474 8.626 ( 6.455 2.557 -5.784) 9.036 9.236 ( -1.596 5.066 10.650) 11.901 9.410 ( 4.089 2.900 6.522) 8.226 9.817 ( 6.126 6.146 -5.673) 10.367 9.899 ( 1.105 12.446 -4.479) 13.274 10.185 ( 1.680 -3.459 -3.227) 5.020 10.437 ( 2.930 7.983 -5.335) 10.039 10.626 ( -4.567 0.494 3.679) 5.885 10.758 ( -7.385 -0.860 -0.849) 7.484 11.792 ( -2.737 -0.525 6.901) 7.443 12.204 ( -5.216 -3.312 3.973) 7.346 12.215 ( -4.794 -2.837 3.031) 6.341 12.430 ( 5.380 -4.958 5.792) 9.332 12.868 ( -10.421 0.428 -2.336) 10.688 13.117 ( 2.614 -1.246 5.527) 6.240 13.243 ( -8.226 -2.209 2.172) 8.790 13.548 ( -9.755 3.779 1.110) 10.520 13.703 ( -4.379 -0.039 1.092) 4.514 14.038 ( 4.289 2.745 -2.879) 5.849 14.440 ( 11.410 -4.752 -0.264) 12.362 14.960 ( 3.397 -15.589 -5.620) 16.916 18.757 ( -2.551 6.355 0.737) 6.887 18.844 ( -7.296 11.766 0.227) 13.847 19.739 ( 1.719 -1.693 -0.597) 2.485 20.092 ( -12.290 -3.756 6.565) 14.430 21.308 ( -4.401 4.584 3.060) 7.053 21.556 ( 4.836 1.631 -12.759) 13.742 22.225 ( 11.100 -4.727 10.163) 15.775 22.532 ( 33.568 -7.160 -21.033) 40.255 23.633 ( -0.889 -0.278 3.706) 3.821 23.797 ( -0.232 5.240 -4.018) 6.607 24.030 ( 3.596 0.897 4.732) 6.011 24.441 ( 3.173 1.018 0.897) 3.451 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.739 16.061 15.027) 22.007 2.214 ( 0.289 1.408 -0.045) 1.438 2.464 ( -1.797 1.442 3.765) 4.414 2.669 ( -2.358 4.595 21.098) 21.721 2.888 ( 6.702 0.139 -3.253) 7.451 3.099 ( -10.222 4.222 5.153) 12.201 3.171 ( 5.159 1.877 1.676) 5.740 3.305 ( 8.559 -3.471 -0.346) 9.243 3.379 ( 3.011 -1.026 1.688) 3.601 3.679 ( 0.857 5.733 0.588) 5.827 3.729 ( -2.098 -0.150 2.414) 3.202 3.928 ( 1.463 3.647 4.122) 5.695 4.092 ( 8.462 -3.942 -0.393) 9.343 4.161 ( 0.274 2.279 -0.558) 2.362 4.249 ( 9.202 0.365 1.376) 9.311 4.472 ( 17.302 0.848 3.667) 17.707 4.843 ( 7.961 -0.020 0.350) 7.969 4.883 ( 2.943 -4.463 -3.413) 6.343 4.921 ( 13.270 4.092 -3.663) 14.362 5.096 ( -0.132 -2.429 -2.388) 3.409 5.257 ( 0.126 3.290 -0.031) 3.292 5.431 ( 5.417 -3.096 -4.680) 7.799 5.631 ( 2.847 0.869 5.381) 6.149 5.863 ( -4.761 -3.953 -1.631) 6.399 5.972 ( -2.721 -2.706 9.668) 10.402 6.062 ( -1.737 -0.287 0.847) 1.954 6.240 ( -1.363 -1.302 -7.436) 7.671 6.281 ( 1.769 -8.060 2.423) 8.600 6.547 ( -3.094 2.729 -5.338) 6.747 6.613 ( -3.381 -0.312 -2.269) 4.084 6.928 ( 0.102 -3.123 -10.188) 10.656 7.110 ( -11.951 4.049 -0.831) 12.646 7.204 ( 0.782 -5.084 -4.145) 6.606 7.460 ( 3.666 3.107 -5.874) 7.590 7.654 ( 0.120 -3.005 -2.036) 3.632 7.807 ( -4.595 -1.324 0.964) 4.878 8.142 ( 2.469 -2.522 -2.878) 4.555 8.288 ( 3.397 -2.555 -6.587) 7.840 8.515 ( 4.979 3.862 -1.305) 6.435 8.696 ( 2.261 1.965 -6.316) 6.991 9.249 ( -0.902 6.336 11.468) 13.133 9.519 ( 4.315 2.376 8.554) 9.870 9.824 ( -1.587 9.893 -4.755) 11.090 10.012 ( 9.939 5.923 -3.553) 12.103 10.210 ( 1.650 -1.441 -3.510) 4.137 10.442 ( -1.067 7.025 -6.508) 9.636 10.553 ( -5.312 0.779 2.551) 5.944 10.637 ( -2.410 2.057 -1.209) 3.391 11.762 ( -2.582 -0.941 7.296) 7.796 12.098 ( -5.932 -0.011 9.828) 11.480 12.150 ( -3.192 -5.410 -2.397) 6.723 12.462 ( -4.328 -3.597 1.746) 5.892 12.790 ( 3.261 -0.025 0.973) 3.403 13.115 ( -4.902 -6.726 1.751) 8.505 13.197 ( 2.973 3.610 4.798) 6.701 13.412 ( -5.883 4.296 1.568) 7.451 13.640 ( -2.319 0.661 2.210) 3.271 14.072 ( 0.855 4.182 -4.877) 6.481 14.608 ( 6.021 -7.577 0.829) 9.714 14.956 ( -0.830 -8.702 -5.591) 10.377 18.667 ( -6.216 6.386 4.657) 10.055 18.800 ( 1.933 4.468 -3.697) 6.113 19.751 ( -3.009 -7.720 4.939) 9.646 19.947 ( -2.721 -1.510 0.239) 3.121 21.247 ( -3.247 5.094 3.052) 6.767 21.603 ( 4.222 5.405 -11.771) 13.623 22.396 ( 2.447 -6.262 12.009) 13.763 23.010 ( 22.932 -8.326 -17.852) 30.230 23.622 ( -1.761 -0.266 3.448) 3.881 23.772 ( -0.616 5.726 -4.301) 7.188 24.163 ( 8.184 -2.405 3.062) 9.063 24.485 ( 1.684 2.737 -1.221) 3.437 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -10.058 13.571 11.761) 20.583 2.109 ( -11.100 4.301 8.924) 14.878 2.497 ( -2.125 4.129 -1.034) 4.757 2.699 ( 2.121 5.799 8.888) 10.822 2.939 ( -3.551 5.496 9.864) 11.837 3.055 ( 8.422 -2.009 0.841) 8.699 3.280 ( 4.466 -4.893 3.555) 7.519 3.403 ( 3.473 -1.050 0.765) 3.708 3.499 ( 6.396 -6.808 1.532) 9.466 3.632 ( -1.818 0.650 -0.255) 1.947 3.728 ( -1.037 3.953 4.651) 6.191 3.955 ( 0.038 6.695 2.938) 7.311 4.103 ( 2.042 8.397 -4.906) 9.937 4.240 ( -2.684 -4.978 4.521) 7.241 4.358 ( 1.392 1.894 0.737) 2.464 4.710 ( 0.709 -1.858 4.618) 5.028 4.794 ( -7.895 -7.059 -0.461) 10.601 4.935 ( -0.012 -3.280 -4.540) 5.601 5.025 ( -0.888 0.115 -4.638) 4.724 5.141 ( 2.139 5.733 0.358) 6.129 5.282 ( 2.826 2.094 -0.654) 3.577 5.461 ( -1.595 -4.212 -7.925) 9.115 5.645 ( -3.066 -0.622 5.342) 6.190 5.805 ( -0.927 -1.779 3.305) 3.866 5.917 ( -7.122 6.734 0.206) 9.803 6.058 ( 6.314 -2.084 4.766) 8.181 6.193 ( -3.990 -8.878 -0.569) 9.750 6.338 ( 3.086 -3.045 1.588) 4.617 6.514 ( 0.653 -0.745 -7.978) 8.039 6.549 ( 0.968 -3.081 -1.449) 3.539 6.883 ( -9.487 5.169 -2.194) 11.024 6.979 ( 7.999 3.243 -11.973) 14.760 7.225 ( 2.816 -4.257 -2.428) 5.653 7.479 ( 0.019 3.764 -6.933) 7.889 7.691 ( 4.337 -4.679 -0.015) 6.380 7.735 ( -2.485 -3.931 0.189) 4.655 8.161 ( 0.288 -3.721 -2.964) 4.766 8.323 ( 1.745 -3.643 -5.516) 6.837 8.586 ( 2.153 4.262 -1.236) 4.932 8.674 ( -1.901 2.820 -5.990) 6.889 9.267 ( -1.130 7.085 12.061) 14.034 9.598 ( 0.770 0.975 7.052) 7.160 9.797 ( 0.831 8.919 -3.270) 9.536 10.149 ( -0.144 1.538 0.057) 1.546 10.225 ( 3.411 2.473 -4.383) 6.080 10.363 ( -1.485 7.678 -9.959) 12.663 10.509 ( 1.162 0.810 2.059) 2.499 10.652 ( 3.202 4.638 -1.851) 5.932 11.744 ( -1.821 -1.377 8.455) 8.758 12.052 ( -1.942 -0.468 8.925) 9.146 12.095 ( -1.393 -4.792 -1.226) 5.139 12.378 ( -2.947 -2.371 -0.518) 3.818 12.884 ( 3.547 -1.309 3.692) 5.285 13.045 ( -2.963 -6.151 0.448) 6.842 13.255 ( 0.187 3.274 5.086) 6.051 13.320 ( -3.227 3.350 0.890) 4.736 13.640 ( 1.345 1.748 4.027) 4.592 14.052 ( -0.942 4.920 -6.259) 8.017 14.668 ( -0.272 -10.854 1.844) 11.013 14.922 ( -0.527 -3.356 -6.143) 7.020 18.591 ( -2.911 5.393 3.917) 7.273 18.853 ( 4.505 3.197 -3.726) 6.663 19.655 ( -7.119 -6.764 7.262) 12.213 19.980 ( 4.411 -4.401 -1.911) 6.518 21.200 ( -2.548 4.736 2.390) 5.885 21.643 ( 3.541 8.519 -10.848) 14.240 22.377 ( -8.091 -6.426 10.896) 15.016 23.297 ( 12.061 -9.178 -13.327) 20.182 23.577 ( -3.744 0.743 3.139) 4.942 23.754 ( -0.028 4.206 -3.552) 5.505 24.307 ( 4.081 -3.992 2.278) 6.146 24.526 ( 5.048 2.696 -4.663) 7.382 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -8.357 15.475 11.348) 20.931 1.921 ( -11.975 5.873 17.660) 22.131 2.347 ( -9.791 5.838 0.051) 11.399 2.718 ( -3.491 10.080 1.923) 10.839 3.013 ( 6.401 -0.430 6.067) 8.829 3.236 ( 8.180 -4.700 3.638) 10.111 3.336 ( -1.346 -5.591 5.270) 7.800 3.458 ( -3.027 -2.857 -1.077) 4.299 3.519 ( -2.382 3.094 1.523) 4.191 3.599 ( -0.006 -2.996 0.932) 3.138 3.796 ( 5.017 1.004 3.683) 6.305 3.946 ( -2.037 1.581 2.661) 3.705 4.046 ( -12.475 -4.569 9.182) 16.150 4.175 ( 4.818 12.417 -3.945) 13.891 4.312 ( -7.613 3.072 0.440) 8.221 4.523 ( -17.913 -3.250 -0.596) 18.216 4.626 ( -8.406 0.709 -0.502) 8.451 4.788 ( -13.300 -1.625 -7.108) 15.167 4.973 ( -7.235 6.297 -0.896) 9.634 5.080 ( -2.523 -1.793 -1.224) 3.329 5.241 ( -3.966 -2.064 -0.047) 4.472 5.447 ( 0.669 -1.731 -6.673) 6.927 5.576 ( -5.248 -1.590 6.239) 8.306 5.753 ( -7.558 0.291 3.890) 8.506 5.860 ( 2.882 0.749 -1.285) 3.243 6.099 ( -0.960 -9.972 -0.409) 10.027 6.259 ( 7.482 0.812 5.856) 9.536 6.409 ( 3.642 -5.262 -0.532) 6.421 6.492 ( -0.590 -1.221 -4.940) 5.123 6.640 ( 6.114 -1.936 -6.648) 9.238 6.800 ( 2.523 5.810 -1.300) 6.466 7.076 ( 3.989 -3.115 -3.614) 6.219 7.313 ( 7.485 2.297 -6.925) 10.452 7.432 ( -2.073 4.814 -6.989) 8.735 7.702 ( -1.050 -4.701 -0.282) 4.825 7.809 ( 6.435 -8.679 0.066) 10.805 8.134 ( -1.950 -2.804 -3.789) 5.101 8.308 ( -1.563 -2.213 -4.396) 5.165 8.564 ( -2.990 5.777 -2.600) 7.005 8.632 ( -0.764 2.708 -3.992) 4.884 9.279 ( -1.422 6.649 11.038) 12.964 9.593 ( -2.155 -0.351 2.475) 3.300 9.827 ( 2.495 7.810 -2.656) 8.618 10.023 ( -8.462 1.597 -1.953) 8.830 10.268 ( 0.609 1.823 -2.041) 2.804 10.374 ( 3.460 9.575 -9.336) 13.814 10.599 ( 7.181 1.466 0.699) 7.362 10.734 ( 5.779 3.570 -2.210) 7.143 11.751 ( -0.278 -1.847 9.974) 10.147 12.055 ( 0.348 -5.409 -0.761) 5.473 12.133 ( 4.829 -1.250 11.495) 12.531 12.355 ( -0.082 -2.933 0.412) 2.963 12.912 ( -1.965 -5.280 1.418) 5.809 13.005 ( -1.048 -2.350 0.516) 2.624 13.208 ( -3.566 2.953 4.522) 6.472 13.347 ( 3.773 4.383 2.068) 6.142 13.706 ( 3.716 1.642 4.649) 6.174 14.002 ( -2.205 4.996 -6.720) 8.659 14.607 ( -6.558 -12.496 0.989) 14.147 14.891 ( -1.451 -1.183 -4.933) 5.276 18.588 ( 1.702 7.433 2.540) 8.037 18.935 ( 4.564 4.007 -2.351) 6.512 19.568 ( -3.323 -4.416 5.333) 7.680 20.057 ( 3.125 -5.105 1.042) 6.075 21.171 ( -0.776 2.696 0.960) 2.965 21.669 ( 2.541 9.838 -9.705) 14.051 22.175 ( -15.267 -5.521 7.371) 17.830 23.315 ( -7.411 -9.786 -9.107) 15.285 23.575 ( 3.902 1.619 -0.088) 4.226 23.744 ( -0.300 2.155 -1.772) 2.806 24.315 ( -2.081 -0.786 -0.714) 2.336 24.647 ( 7.427 -3.129 -5.899) 9.987 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -9.995 19.571 13.408) 25.743 1.777 ( -10.551 6.399 24.736) 27.643 2.182 ( -7.729 6.319 -1.526) 10.100 2.584 ( -15.220 11.434 3.122) 19.291 2.909 ( -21.653 -0.413 5.081) 22.245 3.258 ( 2.950 4.729 2.986) 6.323 3.307 ( -6.158 -5.483 4.826) 9.554 3.354 ( -0.050 -3.266 1.056) 3.433 3.559 ( -0.286 -4.187 -1.432) 4.435 3.678 ( 8.401 -1.228 -1.091) 8.560 3.829 ( -1.841 -4.412 3.713) 6.053 3.887 ( -5.089 -4.257 -0.115) 6.636 3.984 ( -9.553 -3.803 12.105) 15.882 4.077 ( -1.567 5.356 3.506) 6.591 4.152 ( -5.561 9.619 -3.043) 11.519 4.332 ( -11.809 2.829 -1.908) 12.292 4.413 ( -19.768 1.352 -1.954) 19.910 4.459 ( 0.446 4.774 -6.858) 8.368 4.811 ( -7.769 7.830 1.414) 11.121 5.106 ( 3.510 0.606 -4.374) 5.641 5.171 ( -3.688 -7.516 0.818) 8.412 5.463 ( 4.005 -1.671 -1.207) 4.504 5.509 ( -2.472 -0.485 4.956) 5.559 5.647 ( -3.592 0.620 -0.764) 3.724 5.931 ( 3.903 -6.333 -3.056) 8.042 6.097 ( -0.984 -3.981 4.107) 5.804 6.283 ( -5.053 -0.432 2.275) 5.558 6.452 ( 0.004 -5.174 0.417) 5.190 6.501 ( 2.984 -3.296 -7.541) 8.754 6.702 ( 3.291 -0.737 -6.111) 6.980 6.914 ( 7.063 2.264 -0.133) 7.419 7.132 ( 3.011 -3.736 -1.258) 4.961 7.375 ( -0.967 2.216 -5.469) 5.980 7.422 ( 4.866 3.865 -7.193) 9.506 7.669 ( -3.024 -6.541 0.987) 7.273 7.882 ( -0.668 -10.449 -0.438) 10.479 8.070 ( -2.175 -0.474 -4.552) 5.068 8.263 ( -0.772 2.935 -4.397) 5.343 8.508 ( -1.774 6.221 -2.882) 7.082 8.594 ( -2.142 1.895 -3.916) 4.849 9.283 ( -1.139 5.439 8.144) 9.859 9.546 ( -3.586 -1.765 1.906) 4.428 9.850 ( -0.318 6.396 -4.006) 7.554 9.872 ( -4.885 5.075 -5.269) 8.797 10.264 ( 0.362 1.939 -2.627) 3.285 10.382 ( -0.092 9.917 -7.603) 12.496 10.745 ( 6.883 0.112 -0.317) 6.891 10.829 ( 4.256 1.786 -2.247) 5.133 11.793 ( 1.060 -1.601 10.250) 10.428 12.065 ( 1.099 -4.973 -2.297) 5.587 12.351 ( 1.288 -4.218 4.232) 6.112 12.377 ( 13.840 -7.236 17.183) 23.220 12.819 ( -5.925 -3.437 -3.948) 7.906 13.000 ( -1.381 -4.139 5.664) 7.149 13.236 ( 6.667 4.762 3.384) 8.865 13.454 ( 6.615 4.142 1.340) 7.919 13.793 ( 3.699 0.728 3.644) 5.243 13.922 ( -4.094 5.252 -5.414) 8.582 14.424 ( -12.913 -12.184 0.092) 17.754 14.813 ( -5.922 -0.667 -3.341) 6.833 18.679 ( 7.541 13.096 0.124) 15.112 18.987 ( 0.803 6.540 0.174) 6.592 19.590 ( 4.754 -2.975 3.313) 6.513 20.083 ( -1.605 -2.536 4.417) 5.340 21.193 ( 3.618 -0.580 -0.908) 3.775 21.680 ( 1.637 9.078 -8.119) 12.288 21.884 ( -15.759 -4.445 2.863) 16.623 23.024 ( -19.819 -8.377 -9.904) 23.687 23.653 ( 3.675 0.317 -1.067) 3.840 23.727 ( -1.198 0.694 -0.318) 1.420 24.267 ( -1.825 0.014 -2.226) 2.878 24.707 ( -0.174 -6.849 -8.254) 10.727 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -19.832 14.963 15.338) 29.197 1.581 ( -17.920 16.987 19.221) 31.291 2.001 ( -9.959 6.041 -0.607) 11.663 2.189 ( -16.385 12.439 24.606) 32.073 2.740 ( 0.484 6.774 -6.247) 9.227 3.135 ( -10.422 -5.873 4.931) 12.939 3.294 ( -3.615 -4.713 -0.536) 5.964 3.370 ( 2.735 5.323 4.583) 7.538 3.521 ( -1.252 -7.217 -0.942) 7.385 3.670 ( -3.993 -1.897 -1.282) 4.603 3.777 ( -6.487 -5.436 -3.698) 9.237 3.818 ( -5.906 -0.223 4.244) 7.276 3.946 ( 0.199 3.889 -2.983) 4.906 3.964 ( -15.075 3.674 -0.203) 15.517 4.068 ( 1.571 5.552 3.156) 6.577 4.180 ( 9.945 -2.294 11.762) 15.573 4.314 ( 2.191 2.393 -2.321) 3.989 4.475 ( -2.490 4.619 -0.162) 5.250 4.708 ( -1.099 9.197 -0.190) 9.264 5.087 ( -6.171 -9.505 0.839) 11.363 5.161 ( 4.381 3.528 -10.010) 11.482 5.464 ( -1.154 1.021 4.155) 4.432 5.546 ( -2.659 1.620 3.066) 4.370 5.693 ( 11.018 -5.670 -1.803) 12.521 5.963 ( 0.395 -8.306 -4.817) 9.610 6.084 ( -0.584 -0.628 5.054) 5.126 6.197 ( -2.937 0.155 0.039) 2.941 6.387 ( -5.460 -0.501 -1.671) 5.731 6.533 ( 3.091 -5.576 -7.027) 9.488 6.725 ( -0.044 -1.209 -4.015) 4.193 7.014 ( 3.173 -2.699 0.191) 4.170 7.182 ( 3.242 -1.695 -3.669) 5.181 7.378 ( 2.395 -1.726 -1.913) 3.518 7.420 ( -4.197 3.089 -5.356) 7.473 7.598 ( -4.222 -6.704 2.127) 8.203 7.756 ( -9.203 -10.379 1.997) 14.014 8.079 ( 3.527 2.839 -5.262) 6.942 8.256 ( 1.096 3.155 -5.296) 6.261 8.469 ( -1.804 6.383 -3.347) 7.429 8.517 ( -4.358 3.371 -3.860) 6.727 9.288 ( -0.515 4.979 5.653) 7.550 9.457 ( -6.994 -1.157 4.634) 8.469 9.760 ( -3.395 4.309 -4.199) 6.909 9.845 ( 0.764 10.025 -9.177) 13.612 10.277 ( 1.960 3.097 -3.432) 5.021 10.327 ( -3.058 8.291 -5.866) 10.607 10.813 ( 0.124 -0.351 -0.376) 0.529 10.894 ( 3.241 -0.321 -0.546) 3.303 11.836 ( -0.132 -0.802 8.944) 8.981 12.080 ( 1.190 -3.282 -1.061) 3.649 12.348 ( -0.845 -4.953 3.669) 6.222 12.587 ( -5.148 -11.119 -0.839) 12.282 12.905 ( 11.904 -1.643 5.133) 13.067 13.059 ( 14.143 -13.188 18.780) 26.956 13.457 ( 13.779 2.504 0.740) 14.024 13.559 ( 2.181 1.880 -1.501) 3.247 13.850 ( 0.097 6.460 -1.836) 6.716 13.878 ( 5.034 0.388 3.526) 6.159 14.126 ( -17.748 -9.269 0.968) 20.046 14.638 ( -10.938 0.235 -3.067) 11.363 18.859 ( 10.076 19.550 -3.811) 22.322 18.971 ( -1.178 11.094 0.102) 11.157 19.767 ( 10.325 -4.708 5.072) 12.429 20.042 ( -0.857 2.953 2.867) 4.204 21.312 ( 8.984 -3.504 -1.457) 9.753 21.623 ( -10.456 -3.228 -0.301) 10.947 21.692 ( 1.149 6.344 -6.447) 9.118 22.482 ( -33.856 -6.268 -10.375) 35.961 23.698 ( -1.517 -0.399 1.292) 2.032 23.706 ( 2.067 0.607 -1.180) 2.457 24.248 ( 0.686 -0.494 -1.789) 1.978 24.558 ( -12.595 -5.376 -7.214) 15.478 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -3.469 21.873 10.487) 24.504 1.986 ( 0.584 23.045 6.812) 24.038 2.090 ( 1.520 10.351 7.009) 12.592 2.435 ( -1.541 12.642 23.284) 26.540 2.788 ( -3.229 -12.378 4.761) 13.649 2.949 ( 5.382 -1.248 -1.035) 5.621 3.100 ( -1.545 -2.085 -1.476) 2.985 3.327 ( -3.329 -0.250 -2.790) 4.350 3.449 ( -2.847 -3.776 -6.087) 7.708 3.661 ( 0.598 9.486 3.341) 10.075 3.731 ( -4.491 4.302 -3.268) 7.026 3.801 ( -2.208 2.304 10.264) 10.749 3.900 ( 1.754 1.353 1.909) 2.924 3.996 ( -1.083 6.160 -0.253) 6.260 4.134 ( -5.806 0.883 4.643) 7.487 4.296 ( 6.309 -2.058 10.442) 12.373 4.508 ( 12.433 -0.161 -1.326) 12.504 4.559 ( -5.607 9.043 -1.502) 10.745 4.717 ( -0.753 -10.022 -3.953) 10.800 4.801 ( -2.953 -0.421 -1.805) 3.486 5.224 ( 1.726 -2.689 -6.329) 7.090 5.455 ( 0.070 -1.935 -0.671) 2.050 5.556 ( -2.816 5.080 0.440) 5.825 5.682 ( 1.879 -7.199 -0.249) 7.444 5.771 ( -0.901 -13.753 -2.587) 14.023 5.987 ( 0.000 -6.077 -2.210) 6.466 6.250 ( 3.959 5.345 -2.349) 7.055 6.352 ( 2.694 1.810 -5.674) 6.536 6.533 ( 2.224 -3.432 -0.528) 4.123 6.652 ( 3.904 -3.111 -11.752) 12.769 7.030 ( 4.886 2.332 2.926) 6.154 7.105 ( -5.095 -1.169 -0.377) 5.241 7.298 ( -2.501 -2.106 -0.180) 3.274 7.351 ( -1.097 -1.300 0.176) 1.710 7.504 ( 0.459 -3.050 -1.027) 3.251 7.573 ( 3.704 -5.540 0.207) 6.667 8.200 ( 2.370 3.641 -4.356) 6.152 8.285 ( -0.055 1.199 -7.829) 7.920 8.437 ( -4.037 2.462 -0.643) 4.772 8.585 ( 0.715 0.977 -3.360) 3.571 9.401 ( -5.366 4.544 10.780) 12.871 9.452 ( -1.392 7.752 7.558) 10.916 9.821 ( 0.679 4.865 -1.236) 5.065 10.008 ( 3.683 3.387 -9.047) 10.339 10.416 ( -4.848 10.873 -8.070) 14.382 10.446 ( 4.832 6.702 -4.871) 9.592 10.757 ( -3.656 -0.873 2.852) 4.718 10.908 ( -0.544 -1.355 -0.581) 1.571 11.846 ( -1.301 0.978 5.945) 6.164 12.062 ( 3.873 -2.919 3.339) 5.888 12.181 ( -1.981 -8.662 2.475) 9.224 12.282 ( -2.629 -10.145 6.798) 12.492 12.929 ( 1.908 -2.221 4.932) 5.736 13.109 ( 5.888 -10.093 8.219) 14.286 13.504 ( -3.286 1.015 0.817) 3.535 13.723 ( 3.320 -2.223 0.218) 4.001 13.821 ( -4.225 0.892 2.158) 4.827 13.899 ( -0.651 0.198 4.843) 4.891 14.066 ( 5.760 2.885 -3.550) 7.355 14.373 ( -2.125 -6.746 -6.538) 9.632 19.104 ( -5.033 11.883 3.682) 13.420 19.496 ( -0.141 11.182 -3.717) 11.785 19.793 ( 3.413 4.699 -2.399) 6.284 20.261 ( 10.694 -2.468 -7.643) 13.374 21.352 ( 2.005 -1.701 -2.897) 3.912 21.479 ( 11.003 -4.531 -6.133) 13.387 21.778 ( -9.119 2.793 0.377) 9.545 21.837 ( -12.885 0.623 -0.335) 12.904 23.675 ( -1.724 1.218 3.221) 3.851 23.747 ( 1.660 -0.288 0.636) 1.801 24.251 ( -2.543 0.051 -0.264) 2.557 24.289 ( -2.800 -0.571 -0.967) 3.017 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 18.413 16.556 7.445) 25.857 2.114 ( 9.011 24.419 11.040) 28.274 2.304 ( 18.005 6.051 2.731) 19.190 2.550 ( 4.587 7.778 23.575) 25.246 2.786 ( 1.141 -11.788 2.315) 12.067 3.060 ( -3.908 4.345 -8.799) 10.563 3.081 ( 6.861 -2.300 0.568) 7.258 3.239 ( -0.588 1.851 7.170) 7.429 3.426 ( -0.472 2.120 -2.172) 3.072 3.644 ( -1.474 5.623 4.219) 7.183 3.696 ( 2.163 -0.430 0.144) 2.210 3.839 ( 3.244 0.805 4.025) 5.232 3.889 ( -3.195 0.585 8.108) 8.735 4.000 ( -3.201 4.896 -6.088) 8.443 4.122 ( 6.858 0.288 -0.841) 6.915 4.440 ( 4.458 -3.293 8.467) 10.120 4.466 ( -1.607 12.210 -5.750) 13.591 4.586 ( 0.317 0.288 1.481) 1.542 4.769 ( 0.542 0.745 -1.290) 1.585 4.838 ( 11.065 -6.610 -2.020) 13.046 5.235 ( 1.679 -3.886 -4.201) 5.964 5.434 ( -3.311 3.584 -3.846) 6.213 5.496 ( -0.911 -1.919 2.727) 3.456 5.744 ( 3.313 -11.178 3.165) 12.081 5.759 ( 1.683 -10.293 1.463) 10.531 5.984 ( -0.186 -5.038 -3.858) 6.348 6.214 ( -3.668 3.927 -7.899) 9.554 6.424 ( 3.450 1.195 -3.688) 5.190 6.540 ( -1.590 -3.647 -0.409) 3.999 6.681 ( 3.867 -3.372 -12.348) 13.372 6.998 ( -5.366 1.928 2.970) 6.429 7.226 ( 4.860 0.817 -2.211) 5.402 7.271 ( 4.964 2.746 0.544) 5.699 7.331 ( 0.425 -3.130 -1.375) 3.445 7.572 ( 5.283 -6.436 1.017) 8.389 7.645 ( 3.425 -2.997 -3.180) 5.552 8.214 ( 0.012 2.138 -4.637) 5.106 8.267 ( 0.636 0.686 -8.444) 8.496 8.409 ( 2.081 3.505 0.372) 4.093 8.603 ( 2.251 0.267 -3.025) 3.780 9.360 ( -2.512 6.063 11.321) 13.086 9.455 ( -0.418 6.028 7.450) 9.592 9.853 ( 3.234 5.617 -1.526) 6.658 10.074 ( 5.473 1.254 -6.828) 8.840 10.300 ( -4.639 13.752 -7.293) 16.243 10.531 ( 5.590 7.022 -5.405) 10.477 10.693 ( -3.968 -0.523 4.041) 5.687 10.855 ( -4.708 -1.772 -1.034) 5.135 11.823 ( -2.724 0.586 5.401) 6.078 12.126 ( -1.156 -6.168 -1.929) 6.565 12.182 ( 4.061 -6.058 7.371) 10.369 12.237 ( -4.031 -5.564 7.244) 9.984 12.989 ( 2.087 -3.027 4.574) 5.869 13.062 ( -8.906 -3.569 -0.518) 9.608 13.424 ( -7.273 1.903 4.954) 9.003 13.694 ( -4.727 -3.591 -0.451) 5.953 13.830 ( -7.514 0.229 3.666) 8.364 13.876 ( 8.474 -4.230 1.616) 9.608 14.189 ( 8.510 2.272 -1.018) 8.867 14.477 ( 11.292 -10.525 -6.652) 16.809 19.007 ( -5.545 10.848 1.975) 12.342 19.358 ( -11.901 9.056 -0.455) 14.961 19.793 ( -2.605 6.088 -4.540) 8.029 20.214 ( -11.415 -5.641 -0.649) 12.749 21.476 ( 10.579 1.232 -11.492) 15.669 21.522 ( -7.435 5.670 3.633) 10.031 21.831 ( 25.877 -5.905 -10.714) 28.623 21.893 ( 8.243 -3.743 5.670) 10.682 23.660 ( -1.036 1.916 3.651) 4.251 23.789 ( 2.584 -1.020 0.063) 2.779 24.146 ( -4.065 4.982 0.114) 6.431 24.348 ( 4.737 -1.457 0.386) 4.971 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 14.321 9.852 5.019) 18.093 2.341 ( 9.039 19.910 8.018) 23.290 2.608 ( 2.371 4.883 6.846) 8.737 2.654 ( 1.503 2.284 17.696) 17.906 2.817 ( 0.907 -4.014 4.991) 6.469 3.001 ( 7.366 0.818 -10.199) 12.607 3.180 ( 1.094 -0.741 6.004) 6.148 3.297 ( -0.440 7.281 -0.373) 7.303 3.473 ( 5.437 -0.638 9.464) 10.933 3.647 ( 2.163 6.301 1.178) 6.765 3.775 ( 3.713 0.427 1.106) 3.898 3.872 ( -1.507 -0.561 -2.092) 2.638 3.900 ( 2.259 -0.877 10.872) 11.139 4.010 ( 9.107 3.497 -3.788) 10.465 4.223 ( 4.275 1.487 -4.824) 6.615 4.449 ( 2.716 10.844 -3.498) 11.714 4.562 ( 8.306 -5.282 1.320) 9.931 4.731 ( 11.694 4.264 1.411) 12.527 4.824 ( 5.502 1.338 -2.692) 6.269 4.971 ( 3.454 -8.630 1.748) 9.458 5.273 ( 2.310 -1.086 -3.561) 4.381 5.350 ( -1.844 -0.019 -0.963) 2.081 5.549 ( 4.582 -0.353 2.232) 5.109 5.805 ( 1.936 -7.424 1.191) 7.764 5.835 ( 4.092 -9.552 4.615) 11.371 5.953 ( -1.758 -3.748 -3.598) 5.485 6.139 ( -0.655 -0.952 -6.064) 6.173 6.382 ( -5.835 1.092 -4.274) 7.314 6.525 ( 1.970 -5.933 -4.146) 7.501 6.707 ( -0.173 -1.210 -7.470) 7.569 6.923 ( -3.568 3.233 2.109) 5.257 7.175 ( -2.770 -1.677 -2.141) 3.882 7.285 ( -3.763 -1.529 -1.611) 4.369 7.454 ( 5.717 3.032 -2.648) 6.992 7.629 ( -0.973 -6.388 -1.385) 6.609 7.705 ( 4.845 -2.049 -3.335) 6.228 8.177 ( -2.105 1.864 -4.029) 4.913 8.250 ( 0.905 0.220 -8.631) 8.681 8.498 ( 5.258 3.464 1.006) 6.377 8.657 ( 4.385 -0.237 -3.219) 5.445 9.370 ( -0.282 7.142 11.341) 13.406 9.498 ( 2.486 4.622 8.550) 10.032 9.938 ( 6.047 4.728 -1.572) 7.835 10.129 ( -0.935 -0.812 -1.983) 2.338 10.220 ( 0.901 14.837 -7.325) 16.571 10.600 ( 1.482 6.327 -4.166) 7.718 10.659 ( 1.032 3.345 -0.040) 3.501 10.733 ( -6.844 -1.609 -1.984) 7.305 11.784 ( -2.863 0.106 4.523) 5.354 12.071 ( -3.244 -7.889 -0.954) 8.583 12.166 ( -4.918 -2.386 7.248) 9.079 12.311 ( 4.822 -6.020 6.002) 9.773 12.876 ( -8.265 0.345 -1.902) 8.488 13.016 ( -0.927 -5.156 3.124) 6.100 13.318 ( -3.868 6.205 3.906) 8.289 13.582 ( -6.171 -0.204 0.999) 6.255 13.715 ( -4.922 1.229 2.534) 5.670 14.049 ( 7.802 -4.529 -0.215) 9.024 14.331 ( 5.656 -2.656 1.224) 6.367 14.655 ( 8.771 -11.356 -7.078) 15.999 18.918 ( -4.135 8.688 0.592) 9.640 19.099 ( -13.417 10.306 -0.329) 16.921 19.696 ( -5.856 -1.633 1.615) 6.290 19.991 ( -10.492 -5.773 0.715) 11.997 21.441 ( -3.093 7.842 5.134) 9.870 21.625 ( 9.053 4.964 -11.673) 15.584 22.094 ( 8.827 -7.239 8.111) 14.003 22.340 ( 28.893 -10.677 -16.369) 34.882 23.655 ( -0.726 2.279 3.467) 4.212 23.836 ( 2.158 -1.010 -1.673) 2.912 24.117 ( 0.717 6.649 1.922) 6.958 24.440 ( 4.431 -1.453 -0.099) 4.664 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 5.934 3.622 0.088) 6.953 2.356 ( -10.118 13.700 8.413) 18.995 2.590 ( 2.330 11.639 2.204) 12.073 2.764 ( 2.335 2.952 21.076) 21.410 2.853 ( 1.186 -2.529 2.050) 3.465 3.105 ( -1.541 0.426 4.623) 4.892 3.237 ( 9.751 -1.927 -0.516) 9.953 3.323 ( 1.284 5.855 6.176) 8.607 3.415 ( -8.715 6.816 1.683) 11.191 3.677 ( -2.625 -2.443 -2.784) 4.540 3.833 ( 0.812 5.043 1.631) 5.361 3.965 ( 7.359 -2.940 6.221) 10.075 4.029 ( 7.693 -0.834 4.178) 8.794 4.194 ( 10.088 0.864 -3.476) 10.705 4.283 ( 4.236 5.887 -4.707) 8.646 4.578 ( 9.741 7.764 3.047) 12.824 4.726 ( 4.839 -8.568 -3.798) 10.547 4.838 ( -0.842 -3.140 2.931) 4.377 4.922 ( 6.150 -1.334 -6.878) 9.322 5.118 ( 10.643 2.327 1.257) 10.967 5.275 ( 1.889 -1.499 -1.594) 2.891 5.398 ( 4.295 -0.569 -2.927) 5.229 5.649 ( 3.329 1.115 2.342) 4.221 5.815 ( -4.530 -0.179 -3.130) 5.509 5.856 ( 2.589 -7.126 3.115) 8.196 5.961 ( 2.856 -8.016 2.517) 8.874 6.152 ( 0.235 -2.498 -2.113) 3.280 6.265 ( -2.623 0.890 -3.208) 4.238 6.544 ( 0.011 -2.975 -2.669) 3.997 6.613 ( -6.752 -0.486 -2.630) 7.262 6.887 ( 1.611 0.760 -6.722) 6.954 7.132 ( -1.619 -2.514 -0.028) 2.990 7.152 ( -8.463 0.695 -2.631) 8.890 7.499 ( 1.456 -2.432 -6.105) 6.731 7.578 ( -3.157 -1.982 -0.012) 3.727 7.746 ( 0.337 -2.436 -4.518) 5.144 8.133 ( -0.806 1.501 -3.375) 3.780 8.258 ( 2.395 -0.968 -7.557) 7.986 8.587 ( 3.821 3.252 1.793) 5.328 8.722 ( 2.619 0.123 -3.044) 4.018 9.411 ( 0.491 8.315 11.647) 14.319 9.588 ( 3.118 3.614 10.340) 11.388 10.018 ( -1.398 6.118 -3.734) 7.303 10.090 ( 3.057 0.643 1.656) 3.536 10.265 ( 3.653 7.422 -4.662) 9.495 10.566 ( -6.865 0.048 0.865) 6.919 10.603 ( 1.185 8.071 -7.987) 11.417 10.726 ( 3.650 6.001 -4.698) 8.450 11.746 ( -2.482 -0.170 4.365) 5.024 12.006 ( -3.161 -7.440 -1.392) 8.202 12.099 ( -4.191 0.072 7.712) 8.777 12.353 ( -2.049 -6.546 2.390) 7.264 12.802 ( 1.181 1.101 0.432) 1.672 12.980 ( -3.096 -5.410 2.370) 6.668 13.307 ( 0.614 5.809 3.548) 6.834 13.468 ( -6.324 1.169 1.467) 6.597 13.669 ( -0.976 2.430 4.072) 4.841 14.152 ( 3.690 0.270 -3.658) 5.203 14.406 ( 1.548 -8.010 2.929) 8.668 14.761 ( 4.881 -9.059 -7.335) 12.637 18.829 ( -6.686 8.231 2.623) 10.923 18.926 ( -2.514 6.952 -2.918) 7.948 19.599 ( -5.796 -6.150 6.109) 10.427 19.842 ( -4.395 -7.824 -1.626) 9.120 21.407 ( -2.653 9.831 5.140) 11.407 21.756 ( 8.180 8.409 -10.847) 15.977 22.231 ( 1.971 -8.361 8.894) 12.365 22.770 ( 20.822 -14.145 -15.601) 29.615 23.648 ( -1.301 2.715 3.293) 4.462 23.849 ( 0.098 0.701 -3.522) 3.592 24.180 ( 4.386 4.408 4.073) 7.433 24.506 ( 2.755 -1.073 -1.916) 3.523 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -9.229 12.284 7.460) 17.080 2.232 ( -5.726 7.130 3.988) 9.976 2.624 ( -2.485 6.988 3.100) 8.039 2.812 ( 1.820 2.199 4.695) 5.495 2.984 ( 9.852 1.873 10.489) 14.511 3.126 ( -0.802 3.273 7.359) 8.094 3.207 ( -8.285 1.999 4.274) 9.535 3.367 ( 1.036 -2.359 4.817) 5.463 3.436 ( 7.088 2.714 1.780) 7.796 3.645 ( 0.705 1.038 -3.317) 3.546 3.825 ( -0.942 3.242 0.632) 3.435 4.027 ( -0.668 0.467 6.150) 6.204 4.123 ( -2.721 -2.863 3.640) 5.371 4.347 ( 6.436 5.566 -5.315) 10.033 4.360 ( 4.613 3.555 -3.277) 6.683 4.612 ( -7.317 -7.395 0.936) 10.445 4.740 ( -1.380 2.736 5.519) 6.312 4.843 ( 1.651 -5.153 -5.856) 7.973 4.991 ( -0.694 -0.995 -5.785) 5.911 5.235 ( -0.194 2.348 2.331) 3.314 5.345 ( 4.858 -0.897 -2.825) 5.691 5.399 ( -3.424 -0.121 -3.115) 4.631 5.638 ( -3.937 0.394 -1.492) 4.229 5.738 ( -2.594 -2.311 2.137) 4.079 5.924 ( -0.441 -6.982 -4.045) 8.081 5.981 ( -3.662 -6.281 2.817) 7.797 6.136 ( 5.419 5.698 4.013) 8.828 6.283 ( 1.491 -2.292 -0.444) 2.771 6.493 ( -2.561 -1.855 1.672) 3.577 6.530 ( -0.092 0.871 -5.608) 5.676 6.919 ( 0.814 -0.394 -7.478) 7.532 6.994 ( -3.245 -2.551 -3.571) 5.458 7.186 ( 8.111 0.063 -2.499) 8.488 7.485 ( -0.864 -8.782 -4.939) 10.113 7.533 ( -1.314 0.238 -0.798) 1.556 7.719 ( -0.493 -1.038 -4.606) 4.747 8.124 ( 0.581 1.313 -3.402) 3.693 8.283 ( 2.303 -1.059 -6.747) 7.207 8.651 ( 1.938 2.424 1.775) 3.575 8.724 ( -1.395 1.398 -2.206) 2.961 9.450 ( -0.479 9.459 12.321) 15.540 9.651 ( -0.437 3.345 10.555) 11.081 9.962 ( -1.360 5.343 -2.675) 6.129 10.133 ( -1.823 -1.963 1.477) 3.059 10.312 ( 2.612 5.159 -3.475) 6.747 10.467 ( -1.707 2.337 -3.838) 4.806 10.659 ( 6.629 11.016 -7.359) 14.814 10.769 ( 2.686 6.217 -5.060) 8.454 11.718 ( -2.055 -0.606 5.313) 5.728 11.945 ( -2.574 -7.200 -1.323) 7.760 12.069 ( -1.361 0.619 8.016) 8.154 12.300 ( -2.772 -5.101 0.481) 5.825 12.862 ( 1.899 -0.705 2.818) 3.471 12.935 ( -1.161 -4.004 1.290) 4.364 13.326 ( -1.818 2.975 3.740) 5.113 13.368 ( -2.224 1.447 0.565) 2.712 13.696 ( 1.853 3.976 6.080) 7.497 14.173 ( 0.345 4.389 -6.327) 7.708 14.411 ( -2.099 -10.882 3.947) 11.765 14.802 ( 1.934 -7.670 -7.163) 10.672 18.743 ( -1.936 8.578 2.453) 9.129 18.940 ( 4.064 4.609 -3.600) 7.122 19.513 ( -4.985 -5.849 7.383) 10.657 19.821 ( 2.240 -10.123 -1.850) 10.532 21.360 ( -3.990 10.088 4.200) 11.633 21.857 ( 5.631 10.171 -10.106) 15.405 22.210 ( -6.897 -7.626 8.185) 13.142 23.018 ( 9.430 -16.670 -13.378) 23.362 23.630 ( -1.248 4.052 3.292) 5.368 23.826 ( -1.156 1.900 -3.310) 3.988 24.278 ( 3.545 1.411 4.202) 5.676 24.538 ( 1.881 -1.561 -3.822) 4.537 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -7.621 10.881 10.687) 17.050 2.140 ( -5.028 15.294 9.064) 18.475 2.506 ( -8.152 8.179 1.321) 11.623 2.915 ( 2.081 1.375 1.820) 3.088 2.999 ( -5.968 1.260 5.770) 8.397 3.155 ( 1.592 -1.308 6.889) 7.191 3.241 ( 5.096 -1.428 6.493) 8.377 3.375 ( -0.749 -2.688 -1.040) 2.978 3.566 ( 5.074 2.654 5.680) 8.065 3.635 ( -0.854 2.057 -2.672) 3.479 3.815 ( -3.685 1.223 1.904) 4.324 3.919 ( -13.328 0.179 7.448) 15.269 4.030 ( -1.498 0.697 4.540) 4.831 4.348 ( -6.543 0.234 -1.194) 6.655 4.445 ( 4.280 11.060 -4.942) 12.848 4.464 ( -9.341 -1.976 0.112) 9.548 4.645 ( -4.847 1.729 -0.964) 5.235 4.774 ( -13.904 0.828 -5.839) 15.102 4.919 ( 2.224 -7.980 -3.014) 8.815 5.114 ( -10.522 2.082 0.048) 10.726 5.263 ( -9.494 2.406 2.848) 10.200 5.425 ( 1.622 -1.497 -0.616) 2.292 5.519 ( -5.816 -2.941 -3.221) 7.270 5.690 ( -2.615 -2.492 0.753) 3.690 5.870 ( -4.335 -1.753 -4.258) 6.324 5.929 ( 2.889 -7.354 3.088) 8.483 6.287 ( -0.003 -4.972 -2.562) 5.593 6.293 ( 4.601 2.608 3.286) 6.227 6.471 ( -0.968 -1.552 -2.238) 2.891 6.555 ( 3.841 -3.658 -3.885) 6.574 6.922 ( 3.479 3.448 -4.775) 6.840 7.003 ( 3.130 -2.440 1.181) 4.141 7.348 ( 7.368 -0.292 -8.401) 11.178 7.454 ( -0.914 -5.632 -6.936) 8.981 7.531 ( 2.107 -4.229 2.387) 5.294 7.712 ( -0.042 -2.954 -1.740) 3.429 8.123 ( 0.671 3.101 -4.423) 5.444 8.299 ( 1.689 0.063 -6.742) 6.951 8.660 ( -1.495 2.905 0.405) 3.292 8.676 ( -2.434 1.744 -1.198) 3.225 9.463 ( -2.115 9.976 12.029) 15.770 9.637 ( -3.646 3.939 8.244) 9.837 9.949 ( -0.263 2.601 -0.733) 2.715 10.054 ( -4.778 1.096 -1.614) 5.161 10.337 ( 1.211 4.658 -4.004) 6.261 10.475 ( 3.275 1.221 -4.353) 5.582 10.757 ( 4.143 10.663 -5.938) 12.889 10.825 ( 5.482 4.914 -5.608) 9.255 11.710 ( -0.406 -1.610 7.202) 7.391 11.912 ( -0.253 -7.518 -1.036) 7.593 12.098 ( 1.390 -1.634 10.264) 10.486 12.262 ( -1.697 -5.613 1.350) 6.018 12.841 ( -2.741 -1.170 0.407) 3.008 12.958 ( 0.632 -2.363 1.897) 3.095 13.275 ( -1.475 3.300 3.384) 4.951 13.405 ( 3.627 1.035 1.796) 4.178 13.760 ( 2.496 3.721 6.075) 7.549 14.134 ( -2.065 5.834 -7.319) 9.585 14.348 ( -5.976 -10.281 4.176) 12.604 14.789 ( -1.269 -7.906 -6.605) 10.379 18.787 ( 6.155 10.678 0.946) 12.361 19.042 ( 7.215 5.569 -2.760) 9.523 19.471 ( -1.325 -3.920 6.753) 7.919 19.892 ( 4.959 -10.235 -0.604) 11.389 21.286 ( -4.506 8.157 2.588) 9.672 21.897 ( 0.849 6.731 -7.928) 10.435 22.038 ( -12.071 -2.558 4.514) 13.139 23.026 ( -4.606 -16.849 -11.431) 20.875 23.638 ( 1.168 4.120 2.607) 5.014 23.790 ( -1.790 1.739 -1.814) 3.085 24.313 ( -0.812 0.950 1.542) 1.985 24.563 ( 1.703 -4.685 -3.573) 6.133 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -6.828 11.245 18.943) 23.063 2.058 ( -8.204 20.423 8.705) 23.668 2.363 ( -6.864 10.560 -1.424) 12.675 2.842 ( -3.951 2.979 2.900) 5.735 2.875 ( -19.835 1.946 9.665) 22.150 3.137 ( -4.655 -10.003 1.461) 11.130 3.199 ( -4.418 -3.582 -2.101) 6.064 3.432 ( 3.889 4.830 0.295) 6.208 3.540 ( -5.686 0.148 1.367) 5.850 3.672 ( -3.236 -1.548 -0.623) 3.641 3.726 ( 6.355 6.077 5.774) 10.519 3.897 ( 1.103 0.352 8.533) 8.611 3.920 ( -10.992 -0.924 12.106) 16.378 4.173 ( -6.239 3.514 -1.601) 7.337 4.322 ( -7.738 -0.346 -4.275) 8.847 4.375 ( -12.887 6.613 -3.254) 14.846 4.476 ( -12.567 4.841 -0.853) 13.494 4.571 ( 2.459 5.402 -8.506) 10.372 4.912 ( -2.832 -11.211 2.016) 11.738 4.979 ( -6.950 4.960 0.908) 8.587 5.133 ( -0.785 -1.563 -0.238) 1.765 5.429 ( 4.278 -3.153 -2.549) 5.894 5.469 ( -1.353 -3.303 1.026) 3.714 5.662 ( -1.133 2.079 1.363) 2.731 5.787 ( -2.274 -4.913 -7.586) 9.320 6.034 ( 4.099 -4.354 4.616) 7.554 6.260 ( -3.231 -2.565 -1.256) 4.312 6.286 ( -1.299 -6.284 -1.976) 6.714 6.478 ( 1.572 -0.707 -6.159) 6.396 6.600 ( 2.654 -6.045 -5.253) 8.437 6.984 ( 2.576 1.116 1.765) 3.316 7.100 ( 5.566 1.104 0.091) 5.675 7.379 ( -3.044 -3.702 -3.965) 6.220 7.414 ( 1.840 0.139 -7.235) 7.467 7.588 ( 0.921 -5.201 -0.049) 5.283 7.664 ( -5.226 -5.845 0.657) 7.868 8.134 ( 2.235 5.309 -5.412) 7.904 8.307 ( 1.379 1.324 -6.860) 7.121 8.616 ( -2.996 2.254 -1.573) 4.066 8.626 ( -2.086 2.221 -0.857) 3.165 9.452 ( -2.276 9.540 9.958) 13.977 9.577 ( -5.106 4.378 7.833) 10.325 9.910 ( -4.095 0.984 0.546) 4.247 9.993 ( 0.023 3.948 -5.859) 7.065 10.347 ( 1.697 5.691 -4.755) 7.607 10.528 ( 2.811 2.111 -5.417) 6.458 10.804 ( 2.908 5.790 -2.834) 7.072 10.882 ( 1.359 3.174 -5.890) 6.827 11.758 ( 2.741 -1.465 7.853) 8.446 11.931 ( 2.219 -7.201 -0.320) 7.542 12.181 ( 2.811 -8.916 14.576) 17.316 12.236 ( -1.579 -6.570 2.896) 7.351 12.802 ( -0.191 1.276 -0.838) 1.539 12.942 ( -2.572 -2.081 3.004) 4.469 13.333 ( 6.533 4.403 2.872) 8.386 13.503 ( 5.644 0.565 1.718) 5.927 13.819 ( 1.897 1.990 4.532) 5.301 14.052 ( -4.124 5.111 -6.100) 8.963 14.211 ( -9.435 -6.232 3.808) 11.931 14.705 ( -5.626 -8.563 -6.017) 11.882 18.981 ( 13.566 13.728 -1.438) 19.354 19.169 ( 6.212 10.260 -1.083) 12.043 19.521 ( 4.872 -2.984 5.656) 8.040 19.982 ( 4.213 -7.247 0.138) 8.384 21.227 ( -1.419 4.067 0.343) 4.321 21.748 ( -13.579 -8.324 2.102) 16.065 21.909 ( -1.763 12.225 -7.526) 14.464 22.783 ( -17.117 -13.776 -10.128) 24.193 23.677 ( 1.786 2.031 1.845) 3.273 23.749 ( -2.090 1.206 -0.123) 2.416 24.278 ( -2.264 1.185 -0.893) 2.707 24.552 ( -2.538 -7.274 -2.894) 8.230 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -22.343 16.985 12.499) 30.723 1.986 ( -2.849 18.357 16.193) 24.644 2.195 ( -10.125 11.827 -3.094) 15.873 2.519 ( -15.361 15.116 17.221) 27.587 2.828 ( 0.316 -1.898 3.483) 3.979 2.956 ( -9.095 -10.711 2.200) 14.223 3.169 ( -2.372 -3.975 -5.241) 6.993 3.369 ( -3.966 -4.632 -0.248) 6.103 3.534 ( -0.207 4.255 -2.209) 4.799 3.633 ( -1.143 3.094 -1.395) 3.581 3.750 ( -0.213 3.779 0.384) 3.805 3.843 ( -3.689 3.822 13.538) 14.543 3.969 ( -5.098 -0.157 6.432) 8.209 4.079 ( -6.688 3.759 -0.490) 7.688 4.133 ( 3.044 -0.851 6.950) 7.634 4.216 ( -3.457 6.500 -1.473) 7.508 4.361 ( 0.679 2.272 -4.718) 5.281 4.614 ( 2.256 5.855 -5.347) 8.244 4.797 ( -8.368 -9.056 4.376) 13.084 4.874 ( -3.754 -0.173 -0.618) 3.808 5.186 ( 4.369 -2.504 -5.381) 7.370 5.454 ( -0.266 -2.612 0.255) 2.638 5.557 ( 4.790 -2.734 0.085) 5.516 5.652 ( 1.459 3.882 -1.360) 4.364 5.754 ( 1.821 -10.585 -7.612) 13.164 6.033 ( -4.050 -3.610 2.249) 5.873 6.205 ( -1.311 0.742 0.781) 1.697 6.311 ( 3.898 -5.295 -2.962) 7.212 6.481 ( 2.232 0.104 -7.319) 7.652 6.635 ( 2.303 -5.938 -6.144) 8.850 7.005 ( -0.811 0.767 2.258) 2.519 7.164 ( 0.280 -0.869 -1.392) 1.664 7.318 ( -0.783 -1.247 -1.410) 2.039 7.408 ( -2.459 -2.189 -2.687) 4.250 7.549 ( -3.401 -8.437 3.725) 9.830 7.559 ( -3.856 -0.778 -3.218) 5.082 8.166 ( 2.639 4.881 -5.025) 7.486 8.306 ( 0.578 1.785 -7.148) 7.390 8.533 ( -4.987 1.264 -1.245) 5.293 8.595 ( -0.713 2.181 -2.820) 3.636 9.446 ( -1.500 7.774 8.139) 11.354 9.494 ( -6.279 5.235 9.513) 12.543 9.839 ( -2.440 3.016 -0.761) 3.954 9.989 ( 1.508 3.787 -8.272) 9.222 10.381 ( 3.452 6.184 -4.676) 8.487 10.516 ( -2.187 7.292 -7.687) 10.819 10.814 ( -2.125 0.983 -1.886) 3.006 10.888 ( 1.977 -0.004 -0.713) 2.102 11.828 ( 1.474 0.440 6.045) 6.238 11.987 ( 3.254 -5.077 2.108) 6.388 12.205 ( -1.653 -8.164 3.492) 9.032 12.277 ( 0.743 -14.410 11.411) 18.396 12.882 ( 7.542 -0.436 3.337) 8.259 12.915 ( 0.425 -2.681 7.436) 7.916 13.506 ( 8.344 2.132 -0.640) 8.635 13.595 ( 3.671 1.476 1.031) 4.089 13.870 ( 2.244 -0.645 4.280) 4.876 13.952 ( -5.491 -0.006 -1.222) 5.626 14.042 ( -6.577 3.475 0.221) 7.442 14.539 ( -9.488 -8.115 -5.892) 13.805 19.149 ( 0.399 11.281 3.704) 11.881 19.350 ( 15.250 18.076 -9.323) 25.421 19.678 ( 8.024 -3.036 6.443) 10.729 20.064 ( 6.654 -1.340 -2.806) 7.345 21.261 ( 5.495 -0.907 -1.825) 5.861 21.518 ( -9.636 -6.213 -0.904) 11.501 21.845 ( -2.755 7.701 -5.368) 9.783 22.329 ( -26.798 -7.780 -7.116) 28.798 23.699 ( -1.027 0.619 2.276) 2.573 23.723 ( 0.264 0.852 0.687) 1.126 24.245 ( -0.377 0.462 -1.221) 1.359 24.441 ( -7.841 -5.400 -2.204) 9.773 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -2.489 22.226 7.062) 23.453 2.284 ( -1.009 0.822 1.657) 2.107 2.404 ( 3.681 15.507 7.806) 17.747 2.447 ( -2.452 -4.958 10.170) 11.577 2.575 ( -4.492 -6.047 6.776) 10.133 2.738 ( 5.003 -14.224 4.471) 15.727 3.187 ( 0.489 5.957 -2.593) 6.515 3.295 ( 3.998 -4.739 -3.590) 7.165 3.529 ( -7.086 12.704 0.968) 14.579 3.747 ( -6.782 -4.439 1.480) 8.240 3.851 ( 2.128 4.338 4.893) 6.877 3.912 ( 2.738 -0.696 4.732) 5.511 3.926 ( -9.517 9.918 6.481) 15.197 4.064 ( -6.578 -1.436 10.885) 12.799 4.208 ( -2.170 5.771 -5.442) 8.224 4.273 ( 5.596 -0.061 8.399) 10.092 4.443 ( 10.806 -5.313 -1.402) 12.123 4.465 ( 3.422 -8.855 -0.585) 9.512 4.701 ( -1.226 6.785 -2.781) 7.435 4.867 ( -2.113 -2.424 -2.007) 3.791 5.148 ( 0.075 3.224 -2.176) 3.890 5.370 ( -0.735 -10.721 -0.515) 10.758 5.512 ( -0.730 -2.657 -9.810) 10.190 5.549 ( 2.110 -4.584 -7.062) 8.679 5.717 ( -2.779 6.372 2.753) 7.477 5.851 ( -1.843 -6.483 0.225) 6.743 6.351 ( 6.060 3.669 -0.852) 7.135 6.401 ( 8.322 0.942 -8.281) 11.778 6.483 ( -3.236 0.591 -3.204) 4.592 6.565 ( 2.395 -4.719 -11.329) 12.504 7.090 ( 4.261 2.849 2.060) 5.524 7.122 ( 4.560 0.834 -0.333) 4.647 7.273 ( -3.653 0.346 -0.160) 3.673 7.313 ( -3.095 -2.451 0.119) 3.950 7.442 ( 0.576 -1.539 -1.497) 2.223 7.470 ( 2.465 -3.750 -0.549) 4.521 8.267 ( 0.682 2.502 -3.835) 4.630 8.298 ( -0.703 -0.313 -5.397) 5.452 8.493 ( -2.177 3.048 -1.743) 4.131 8.558 ( -0.620 -2.769 -2.966) 4.104 9.500 ( -4.200 4.267 11.747) 13.185 9.548 ( -3.689 0.590 10.477) 11.123 9.932 ( 1.426 5.707 -1.906) 6.183 10.021 ( 1.893 -2.002 -5.673) 6.306 10.553 ( 3.212 4.420 -3.654) 6.572 10.594 ( 2.128 2.248 -5.543) 6.349 10.776 ( -4.386 3.692 -0.637) 5.768 10.862 ( -2.174 -3.232 -1.663) 4.236 11.896 ( -1.356 3.987 2.886) 5.106 12.012 ( -0.183 -6.368 -0.652) 6.404 12.021 ( 1.738 -0.758 9.739) 9.922 12.090 ( 1.485 -6.949 9.599) 11.943 12.916 ( 1.913 1.023 4.480) 4.978 12.969 ( 3.590 -4.166 5.122) 7.515 13.557 ( -3.334 3.673 -1.795) 5.275 13.647 ( -1.599 -4.503 -1.657) 5.057 13.854 ( -1.939 1.915 3.859) 4.725 13.888 ( -1.551 -1.163 4.393) 4.802 14.144 ( 3.451 4.323 -4.517) 7.142 14.245 ( -0.044 -5.371 -5.713) 7.841 19.338 ( -5.299 9.964 6.171) 12.862 19.505 ( -5.088 -5.619 7.092) 10.381 20.001 ( 7.804 10.726 -11.146) 17.326 20.176 ( 6.999 -5.984 -9.199) 13.015 21.342 ( 6.653 0.901 -4.949) 8.341 21.390 ( 9.981 -3.567 -6.197) 12.278 21.822 ( -10.541 1.475 0.525) 10.656 21.841 ( -10.799 -0.317 0.359) 10.810 23.707 ( -0.779 1.574 3.167) 3.621 23.734 ( 0.382 -0.961 2.144) 2.380 24.255 ( -0.344 0.467 -0.718) 0.923 24.271 ( -1.532 -0.960 -0.984) 2.059 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 10.263 18.446 4.972) 21.686 2.411 ( 8.639 -9.031 4.682) 13.346 2.485 ( 4.667 1.480 8.593) 9.890 2.568 ( 11.720 16.902 3.062) 20.794 2.624 ( 6.191 -4.223 10.650) 13.022 2.883 ( 8.082 -12.343 1.871) 14.872 3.209 ( 2.900 6.554 -4.750) 8.598 3.334 ( -1.125 -2.517 -8.310) 8.755 3.479 ( 1.669 10.516 12.031) 16.066 3.648 ( -6.591 -3.699 9.622) 12.235 3.748 ( -5.303 4.568 9.258) 11.606 3.881 ( -3.328 -4.464 2.598) 6.145 3.936 ( 2.746 6.994 2.425) 7.895 4.066 ( 2.258 -4.043 -0.327) 4.642 4.187 ( 2.437 9.206 -4.237) 10.423 4.349 ( 1.785 -5.856 2.506) 6.615 4.572 ( 4.274 0.848 -2.079) 4.828 4.657 ( 9.574 -5.108 0.531) 10.864 4.702 ( 3.598 7.915 1.871) 8.893 4.863 ( 2.681 2.017 -2.359) 4.102 5.134 ( 0.676 -1.614 -2.001) 2.658 5.309 ( -4.574 -12.790 -2.525) 13.816 5.494 ( 1.895 1.816 -1.939) 3.263 5.559 ( 1.916 -5.862 0.157) 6.169 5.724 ( 2.323 5.441 -1.410) 6.082 5.860 ( 1.946 -6.576 -4.477) 8.190 6.309 ( -7.582 5.072 -4.143) 10.019 6.424 ( -5.006 -5.258 -1.499) 7.413 6.486 ( 3.889 3.427 -7.879) 9.431 6.586 ( 5.820 -5.232 -11.432) 13.854 7.106 ( -2.802 6.942 4.392) 8.679 7.214 ( -4.025 -2.108 1.495) 4.784 7.277 ( 1.322 -0.776 -1.859) 2.410 7.311 ( 8.939 -2.510 -2.434) 9.599 7.489 ( 5.844 1.486 -1.525) 6.220 7.572 ( 7.240 -4.339 -2.661) 8.851 8.254 ( -0.947 1.444 -4.245) 4.583 8.271 ( -0.210 -0.237 -5.804) 5.813 8.487 ( 2.281 3.805 -0.794) 4.507 8.563 ( 2.098 -3.261 -2.122) 4.420 9.480 ( -1.694 4.714 11.621) 12.655 9.530 ( -1.489 0.479 9.835) 9.958 9.963 ( 2.415 5.063 -0.753) 5.660 10.051 ( 2.785 -2.866 -3.736) 5.471 10.567 ( -0.595 9.534 -5.440) 10.993 10.648 ( 5.100 2.326 -5.427) 7.802 10.698 ( -3.185 1.987 1.244) 3.954 10.790 ( -4.533 -4.543 -2.885) 7.037 11.859 ( -2.953 3.164 3.029) 5.283 11.965 ( -2.995 -6.973 1.619) 7.760 12.112 ( 3.225 -1.487 6.368) 7.292 12.133 ( 0.227 -3.531 8.028) 8.773 12.954 ( -0.126 0.171 3.085) 3.092 12.991 ( -3.077 -2.940 1.849) 4.640 13.490 ( -3.169 4.182 2.157) 5.673 13.594 ( -2.054 -5.529 0.679) 5.937 13.822 ( -1.497 -0.452 3.144) 3.511 13.828 ( -4.572 -0.534 2.334) 5.161 14.252 ( 7.601 3.332 -3.564) 9.032 14.331 ( 8.839 -4.631 -5.971) 11.629 19.226 ( -7.462 9.541 4.005) 12.758 19.382 ( -9.123 -4.595 4.548) 11.182 19.960 ( -8.435 8.090 -7.326) 13.794 20.101 ( -10.545 -5.594 -4.679) 12.821 21.535 ( 13.474 4.389 -10.316) 17.527 21.614 ( 4.300 0.385 -3.034) 5.277 21.726 ( 13.269 -1.191 -3.282) 13.721 21.799 ( 3.465 -4.989 4.932) 7.825 23.710 ( -0.091 2.557 3.099) 4.019 23.758 ( 1.293 -1.945 2.009) 3.081 24.236 ( 0.164 3.672 -0.843) 3.771 24.303 ( 3.407 -2.751 -0.358) 4.394 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 7.286 11.349 1.577) 13.578 2.494 ( 0.899 -12.099 1.732) 12.255 2.662 ( 6.804 8.755 12.836) 16.962 2.782 ( 5.437 -0.273 5.439) 7.696 2.810 ( 6.474 10.188 8.645) 14.847 3.012 ( 7.146 -4.855 -1.068) 8.705 3.233 ( -2.074 7.214 -3.388) 8.235 3.380 ( 8.212 -5.747 -1.308) 10.108 3.450 ( -2.792 8.200 10.135) 13.333 3.646 ( 2.532 -9.265 11.904) 15.295 3.788 ( 2.463 5.692 5.919) 8.573 3.870 ( -2.226 -0.791 -1.123) 2.615 3.981 ( 3.012 7.050 4.838) 9.065 4.104 ( 4.661 -2.178 -1.148) 5.271 4.287 ( 8.436 6.549 -6.612) 12.561 4.422 ( 7.295 -5.804 -5.307) 10.727 4.631 ( 4.135 3.446 2.524) 5.945 4.724 ( -0.098 -6.844 1.491) 7.005 4.860 ( 6.648 7.710 0.749) 10.208 4.953 ( 9.455 6.083 -1.566) 11.351 5.186 ( 2.426 -7.015 -0.818) 7.468 5.250 ( 1.786 -8.051 -2.099) 8.509 5.574 ( 6.215 1.732 0.762) 6.496 5.630 ( 4.566 -5.595 1.475) 7.371 5.775 ( 3.468 2.731 -1.682) 4.724 5.872 ( 0.799 -4.725 -4.944) 6.885 6.165 ( -4.808 3.800 -5.401) 8.169 6.291 ( -5.761 -7.537 -4.567) 10.529 6.524 ( 1.856 4.540 -6.278) 7.967 6.632 ( 0.737 -5.044 -6.737) 8.448 7.045 ( -4.618 6.361 4.348) 8.982 7.138 ( -4.081 -2.439 2.061) 5.182 7.273 ( -1.724 1.414 -3.744) 4.358 7.374 ( -0.391 -7.619 -2.253) 7.955 7.615 ( 5.159 3.597 -2.752) 6.864 7.678 ( 4.330 -1.997 -4.884) 6.825 8.215 ( -1.529 1.727 -4.536) 5.089 8.243 ( -0.435 -0.889 -6.585) 6.659 8.566 ( 5.054 3.004 0.779) 5.931 8.624 ( 4.462 -2.467 -0.978) 5.191 9.506 ( 0.594 5.083 11.368) 12.467 9.559 ( 1.303 0.375 10.243) 10.333 10.019 ( 3.155 3.601 0.876) 4.867 10.090 ( 1.467 -2.822 -0.747) 3.267 10.498 ( -3.989 10.471 -3.583) 11.764 10.646 ( -5.389 -3.414 2.224) 6.756 10.719 ( 1.515 2.221 -7.777) 8.229 10.739 ( 6.032 1.902 -7.733) 9.990 11.812 ( -2.698 2.946 2.087) 4.507 11.913 ( -2.654 -6.574 0.460) 7.105 12.134 ( -1.478 0.206 6.300) 6.474 12.191 ( 1.805 -4.898 6.092) 8.022 12.891 ( -4.985 1.334 -0.619) 5.197 12.935 ( -2.804 -2.821 1.166) 4.144 13.453 ( -2.164 6.133 3.939) 7.604 13.551 ( -3.792 -2.916 2.665) 5.476 13.755 ( -2.521 3.026 3.408) 5.209 13.874 ( 4.502 -8.606 4.217) 10.589 14.369 ( 5.452 4.374 -4.194) 8.152 14.480 ( 8.114 -6.328 -6.789) 12.327 19.097 ( -6.773 7.733 1.559) 10.397 19.203 ( -10.204 -1.032 1.066) 10.312 19.720 ( -12.702 4.596 0.097) 13.508 19.854 ( -12.651 -7.096 -1.424) 14.575 21.619 ( 0.179 8.504 5.430) 10.091 21.724 ( 8.148 1.442 -4.656) 9.495 21.974 ( 12.071 -1.121 -0.625) 12.139 22.108 ( 22.867 -10.703 -12.925) 28.364 23.719 ( 0.040 3.525 2.849) 4.533 23.790 ( 1.350 -3.016 1.643) 3.690 24.260 ( 2.286 6.473 -0.313) 6.872 24.377 ( 4.028 -4.481 -0.536) 6.049 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 3.417 6.271 -1.494) 7.296 2.460 ( -4.743 -3.009 1.138) 5.731 2.750 ( -1.033 2.239 6.272) 6.739 2.812 ( -2.810 -0.449 6.283) 6.898 2.933 ( 5.398 10.383 10.763) 15.899 3.087 ( 0.086 -4.202 3.598) 5.532 3.267 ( 4.591 6.424 6.222) 10.053 3.381 ( -0.725 -1.875 9.136) 9.355 3.591 ( 2.853 8.478 0.389) 8.954 3.700 ( -3.881 6.067 1.905) 7.449 3.786 ( 4.343 -8.242 0.828) 9.353 3.848 ( -0.016 -6.387 6.041) 8.791 4.110 ( 6.865 6.543 3.013) 9.951 4.208 ( 5.293 -1.669 -1.829) 5.844 4.415 ( 7.036 5.535 -6.752) 11.213 4.542 ( 3.445 -7.778 -4.704) 9.721 4.716 ( 2.726 3.066 0.666) 4.156 4.759 ( 4.462 -2.267 1.709) 5.289 4.971 ( 6.601 7.143 -1.350) 9.819 5.152 ( 6.984 -3.523 3.168) 8.439 5.209 ( 4.624 0.425 -4.080) 6.182 5.336 ( 4.247 -6.132 -3.303) 8.157 5.670 ( 2.077 1.448 -0.493) 2.579 5.739 ( 6.600 -4.364 0.356) 7.920 5.826 ( 0.688 0.488 -0.993) 1.303 5.852 ( -1.147 -1.067 -2.344) 2.819 6.140 ( 4.046 1.855 -3.439) 5.625 6.223 ( 0.900 -4.711 -4.148) 6.341 6.516 ( -0.979 1.266 -2.436) 2.915 6.569 ( -5.132 -2.992 -1.278) 6.077 6.956 ( -4.787 4.648 -2.317) 7.063 7.055 ( -6.136 -4.456 -0.219) 7.587 7.204 ( -2.541 4.259 -2.261) 5.450 7.335 ( -1.901 -8.277 -2.210) 8.775 7.636 ( -1.050 3.690 -3.920) 5.485 7.700 ( 0.101 -2.429 -6.330) 6.781 8.183 ( -0.023 2.715 -3.998) 4.833 8.231 ( 1.465 -1.758 -6.276) 6.680 8.651 ( 3.145 2.760 2.131) 4.696 8.701 ( 3.036 -1.926 0.112) 3.597 9.566 ( 1.692 5.909 11.603) 13.131 9.633 ( 2.384 -0.162 11.477) 11.723 10.069 ( 0.460 0.678 1.344) 1.574 10.086 ( -1.412 -0.713 1.827) 2.417 10.439 ( -0.809 7.253 -3.231) 7.981 10.541 ( -4.376 -2.710 -1.226) 5.291 10.761 ( 4.672 6.195 -8.806) 11.737 10.820 ( 4.958 1.298 -8.642) 10.048 11.772 ( -2.147 2.918 1.541) 3.937 11.866 ( -2.499 -5.745 -0.193) 6.268 12.117 ( -2.064 2.325 5.383) 6.216 12.211 ( -1.281 -6.349 3.568) 7.394 12.835 ( -0.479 2.114 0.705) 2.279 12.891 ( -1.885 -3.301 1.560) 4.109 13.415 ( -2.773 3.997 2.415) 5.431 13.467 ( -5.361 -1.183 1.773) 5.770 13.764 ( 1.461 7.302 6.194) 9.686 13.976 ( 3.937 -12.207 5.518) 13.963 14.428 ( 2.389 6.417 -5.386) 8.712 14.583 ( 4.887 -8.026 -7.318) 11.910 18.984 ( -5.533 5.977 0.629) 8.169 19.037 ( -5.553 1.904 -1.661) 6.101 19.535 ( -7.352 1.370 4.372) 8.663 19.657 ( -7.078 -8.797 0.296) 11.295 21.634 ( -1.065 11.251 5.860) 12.730 21.834 ( 3.601 -5.146 1.205) 6.396 22.178 ( 9.459 7.573 -5.877) 13.467 22.450 ( 16.644 -15.521 -13.227) 26.322 23.727 ( -0.212 4.421 2.826) 5.251 23.813 ( 0.545 -3.446 1.062) 3.647 24.311 ( 2.736 6.946 0.406) 7.476 24.440 ( 2.728 -4.998 -1.324) 5.846 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -5.800 5.128 3.091) 8.336 2.370 ( -0.306 4.025 0.094) 4.038 2.713 ( -4.139 1.598 4.486) 6.310 2.764 ( -0.826 -3.934 3.322) 5.215 3.075 ( 4.068 3.405 8.157) 9.731 3.110 ( -0.312 -1.062 6.961) 7.048 3.323 ( -1.628 3.970 9.897) 10.787 3.374 ( -2.738 1.224 4.258) 5.209 3.563 ( -0.158 9.695 5.131) 10.971 3.724 ( 2.253 5.888 -1.660) 6.520 3.797 ( -1.621 -5.285 2.485) 6.061 3.923 ( 3.003 -8.481 7.729) 11.861 4.179 ( -1.612 5.252 1.655) 5.738 4.280 ( 2.428 -4.207 -1.999) 5.253 4.506 ( 1.528 2.225 -5.077) 5.750 4.543 ( 3.555 1.114 -2.429) 4.447 4.754 ( -0.367 -1.418 -5.749) 5.932 4.782 ( -0.811 -0.833 -1.320) 1.759 5.054 ( -2.032 7.429 0.965) 7.762 5.215 ( -2.894 -4.917 3.221) 6.552 5.291 ( 4.690 -1.072 -3.030) 5.686 5.352 ( 0.807 -4.820 -4.157) 6.416 5.657 ( -4.251 3.340 -2.845) 6.109 5.773 ( -4.530 0.577 -3.107) 5.523 5.803 ( -2.160 -5.914 1.325) 6.434 5.829 ( 0.342 -2.426 -3.661) 4.405 6.247 ( 4.848 2.747 0.408) 5.587 6.270 ( 3.452 1.457 -0.488) 3.778 6.463 ( -3.215 -0.360 1.999) 3.802 6.508 ( -0.981 -3.087 -0.202) 3.245 6.901 ( 1.895 0.035 -5.983) 6.276 6.934 ( -2.996 -2.562 -4.694) 6.129 7.212 ( 3.720 2.632 -0.561) 4.592 7.305 ( -0.804 -6.566 -0.706) 6.653 7.590 ( -1.425 3.617 -5.353) 6.615 7.667 ( -0.779 -3.486 -6.260) 7.207 8.190 ( 1.900 3.805 -4.501) 6.193 8.254 ( 2.669 -2.081 -6.310) 7.160 8.696 ( 0.728 1.908 2.876) 3.527 8.727 ( -0.405 -0.899 1.157) 1.520 9.626 ( 0.343 6.604 12.516) 14.156 9.698 ( 0.089 0.034 12.982) 12.982 10.022 ( -3.145 1.829 -0.119) 3.641 10.076 ( -1.974 -3.154 1.933) 4.193 10.429 ( 0.475 5.103 -3.239) 6.063 10.492 ( -0.339 -0.579 -3.218) 3.287 10.837 ( 6.241 5.474 -9.236) 12.418 10.875 ( 3.761 2.311 -8.783) 9.829 11.735 ( -2.369 2.455 2.044) 3.978 11.814 ( -2.769 -4.998 0.055) 5.714 12.097 ( -1.641 2.434 5.168) 5.944 12.182 ( -2.298 -5.482 2.428) 6.421 12.857 ( 0.767 0.310 1.886) 2.059 12.877 ( 0.446 -1.718 1.419) 2.273 13.370 ( -3.315 1.310 2.428) 4.313 13.384 ( -2.154 0.044 1.224) 2.478 13.823 ( 1.918 8.373 7.409) 11.344 14.043 ( 1.041 -11.971 5.515) 13.221 14.429 ( -0.251 8.288 -6.261) 10.390 14.620 ( 1.451 -9.329 -7.558) 12.094 18.918 ( -0.243 7.260 0.280) 7.270 19.003 ( 2.403 -0.023 -2.618) 3.554 19.458 ( -2.601 1.889 5.540) 6.405 19.597 ( 0.294 -10.092 1.006) 10.147 21.599 ( -4.541 12.347 4.984) 14.068 21.851 ( -2.957 -10.401 3.710) 11.432 22.284 ( 3.971 14.461 -8.281) 17.131 22.642 ( 7.364 -18.393 -12.132) 23.232 23.729 ( -0.389 4.954 2.933) 5.770 23.816 ( -0.610 -2.769 0.689) 2.918 24.355 ( 1.464 5.306 0.829) 5.567 24.468 ( 0.730 -4.820 -2.091) 5.305 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -4.905 9.372 7.218) 12.806 2.366 ( -0.731 2.652 5.590) 6.231 2.650 ( -2.842 6.640 1.205) 7.322 2.809 ( 3.086 -7.393 0.980) 8.071 3.007 ( -11.732 1.175 6.530) 13.479 3.079 ( -6.203 -4.897 5.589) 9.680 3.333 ( -1.641 4.082 6.538) 7.881 3.414 ( 4.691 0.361 1.988) 5.107 3.549 ( -2.640 5.564 3.017) 6.858 3.741 ( 1.196 -4.569 -3.282) 5.751 3.805 ( 0.797 7.415 12.678) 14.709 3.975 ( -0.428 -5.641 6.911) 8.931 4.068 ( -8.968 9.972 3.096) 13.764 4.263 ( -3.743 -7.606 -0.805) 8.515 4.495 ( -2.587 5.794 -2.780) 6.927 4.615 ( 2.863 3.207 -4.468) 6.201 4.665 ( -5.071 -1.613 -7.667) 9.333 4.721 ( -7.836 -5.443 -4.793) 10.677 4.905 ( -7.958 8.423 3.023) 11.976 5.081 ( -9.434 -6.023 4.841) 12.195 5.287 ( -8.836 1.035 -1.435) 9.011 5.354 ( -1.998 -4.729 -0.861) 5.206 5.504 ( -5.185 4.220 -5.328) 8.549 5.678 ( -1.664 -7.934 -3.443) 8.807 5.770 ( 0.200 1.704 -1.092) 2.034 5.842 ( 1.874 -2.451 -0.792) 3.185 6.235 ( -2.183 1.133 -3.105) 3.961 6.312 ( -2.398 -3.290 -1.782) 4.444 6.454 ( 1.456 1.664 -0.809) 2.354 6.503 ( 0.508 -2.081 -2.191) 3.064 6.940 ( 3.114 0.985 1.056) 3.433 6.983 ( 6.318 -1.749 -1.648) 6.760 7.302 ( 1.344 -2.138 -1.852) 3.131 7.319 ( 6.476 -3.401 -3.796) 8.241 7.561 ( -0.295 3.616 -4.257) 5.593 7.642 ( -0.523 -3.752 -4.045) 5.542 8.216 ( 2.354 4.465 -5.866) 7.738 8.284 ( 2.534 -1.884 -6.832) 7.527 8.694 ( -1.847 1.002 2.314) 3.126 8.703 ( -2.218 0.386 1.273) 2.586 9.649 ( -2.271 6.804 12.916) 14.774 9.712 ( -2.850 1.376 13.587) 13.950 9.969 ( -2.329 1.461 -0.711) 2.840 10.034 ( -1.943 -3.213 -0.858) 3.852 10.437 ( 1.565 4.289 -4.169) 6.182 10.490 ( 1.251 -0.428 -4.139) 4.345 10.907 ( 2.451 3.934 -7.074) 8.458 10.927 ( 4.918 2.840 -9.201) 10.812 11.705 ( -1.109 1.470 3.740) 4.169 11.774 ( -1.070 -5.148 0.951) 5.343 12.085 ( -1.745 0.860 6.603) 6.884 12.145 ( -2.458 -4.817 3.245) 6.306 12.853 ( -0.753 1.881 0.401) 2.065 12.904 ( 0.548 -2.710 0.976) 2.932 13.342 ( 0.573 3.038 3.168) 4.427 13.395 ( 2.352 -1.766 2.482) 3.849 13.871 ( 0.605 6.949 6.774) 9.723 14.048 ( -2.109 -9.643 4.940) 11.038 14.382 ( -2.686 9.227 -6.455) 11.576 14.592 ( -1.986 -10.273 -7.454) 12.847 18.996 ( 8.351 8.499 -0.297) 11.919 19.108 ( 9.157 -1.134 -2.404) 9.535 19.466 ( 1.545 5.003 5.322) 7.466 19.656 ( 5.132 -11.422 0.931) 12.556 21.495 ( -7.480 11.370 3.340) 14.014 21.743 ( -9.164 -11.855 3.651) 15.422 22.281 ( -1.317 16.620 -9.017) 18.955 22.651 ( -2.634 -18.314 -10.833) 21.440 23.731 ( -0.468 4.283 2.894) 5.190 23.795 ( -1.698 -1.517 0.858) 2.434 24.362 ( -1.068 3.708 0.297) 3.870 24.458 ( -1.026 -5.131 -1.911) 5.571 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -3.217 12.527 13.302) 18.553 2.370 ( -2.383 4.659 9.496) 10.842 2.592 ( -4.633 10.669 -2.206) 11.839 2.745 ( -15.433 0.257 5.900) 16.524 2.827 ( -3.805 -9.885 0.835) 10.625 2.911 ( -12.403 -10.788 4.017) 16.922 3.255 ( -4.188 5.287 -2.751) 7.284 3.389 ( -4.882 -7.807 -0.691) 9.233 3.632 ( 6.630 11.934 1.298) 13.714 3.813 ( 3.295 -2.911 3.261) 5.474 3.828 ( -3.311 8.042 8.756) 12.341 3.922 ( -2.634 3.978 12.455) 13.337 3.966 ( -4.405 5.610 8.910) 11.414 4.148 ( -7.352 -7.718 0.491) 10.670 4.317 ( -12.979 3.696 -5.463) 14.559 4.440 ( -10.420 -3.588 -3.155) 11.463 4.574 ( -7.362 3.184 -3.169) 8.624 4.626 ( -2.942 -1.680 -4.567) 5.687 4.784 ( -5.817 5.717 2.040) 8.407 4.996 ( -1.862 -10.616 2.165) 10.993 5.109 ( -5.237 6.832 -0.178) 8.610 5.289 ( 0.305 -9.131 -0.336) 9.143 5.467 ( 0.475 5.395 -6.988) 8.841 5.645 ( -1.807 -8.644 -6.862) 11.183 5.790 ( 1.660 6.846 0.058) 7.045 5.922 ( 4.771 -5.428 2.530) 7.657 6.188 ( -0.790 0.002 -4.668) 4.735 6.237 ( -2.801 -2.663 -3.650) 5.316 6.467 ( 1.478 0.150 -6.627) 6.791 6.500 ( 1.112 -3.180 -5.537) 6.482 7.008 ( 1.921 2.442 6.403) 7.117 7.083 ( 3.148 -3.606 3.154) 5.733 7.328 ( 1.759 0.847 -2.425) 3.113 7.391 ( 1.942 -4.202 -5.647) 7.302 7.526 ( -3.090 2.664 -1.500) 4.347 7.599 ( -3.050 -3.226 -3.797) 5.842 8.241 ( 2.203 4.381 -6.140) 7.857 8.307 ( 2.072 -1.657 -6.722) 7.226 8.642 ( -3.822 1.271 0.715) 4.091 8.659 ( -2.696 0.122 -0.301) 2.715 9.620 ( -4.589 6.033 11.929) 14.133 9.677 ( -5.198 2.084 13.414) 14.536 9.930 ( -1.205 2.790 -1.696) 3.480 10.011 ( 0.174 -2.550 -3.571) 4.391 10.461 ( 2.370 4.332 -4.732) 6.839 10.520 ( 3.098 -1.658 -3.423) 4.906 10.911 ( 0.096 3.648 -4.916) 6.122 10.942 ( -0.838 1.267 -8.114) 8.255 11.745 ( 4.121 0.624 5.064) 6.559 11.799 ( 3.330 -4.677 2.187) 6.144 12.065 ( -2.912 -1.635 9.099) 9.692 12.107 ( -2.914 -4.971 4.603) 7.375 12.846 ( 0.359 2.484 0.028) 2.510 12.897 ( -1.175 -2.313 1.116) 2.824 13.418 ( 6.022 3.748 3.160) 7.765 13.484 ( 5.671 -2.248 2.774) 6.702 13.885 ( -1.021 4.346 5.082) 6.764 13.997 ( -4.586 -6.069 3.943) 8.568 14.290 ( -4.831 9.083 -5.812) 11.816 14.498 ( -5.435 -10.458 -6.993) 13.705 19.208 ( 12.114 8.094 0.883) 14.596 19.315 ( 12.186 -0.475 -1.128) 12.248 19.550 ( 6.505 8.804 2.881) 11.319 19.785 ( 8.368 -11.241 -1.211) 14.066 21.359 ( -6.695 8.210 1.044) 10.645 21.553 ( -10.765 -9.833 1.574) 14.665 22.182 ( -6.227 13.750 -8.003) 17.085 22.480 ( -11.780 -14.645 -9.016) 20.846 23.728 ( -0.721 2.438 2.701) 3.709 23.761 ( -2.162 -0.440 1.543) 2.693 24.322 ( -2.666 3.219 -0.676) 4.234 24.415 ( -3.029 -5.621 -1.207) 6.498 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -15.174 18.554 11.235) 26.471 2.331 ( -1.227 13.440 12.481) 18.383 2.431 ( -9.965 4.142 -1.509) 10.896 2.548 ( -9.381 -4.183 7.517) 12.729 2.686 ( -6.162 -13.019 4.950) 15.230 2.726 ( -7.746 -7.806 1.574) 11.109 3.213 ( -0.553 4.511 -5.425) 7.076 3.292 ( -3.683 -3.389 -0.935) 5.092 3.650 ( -4.171 11.561 -1.945) 12.444 3.781 ( 1.389 4.858 4.062) 6.483 3.829 ( -2.685 2.310 4.813) 5.976 3.928 ( -6.167 -4.418 7.265) 10.504 4.015 ( -0.136 7.770 19.432) 20.928 4.090 ( 3.635 -2.925 6.477) 7.983 4.123 ( -0.902 4.724 -5.396) 7.228 4.322 ( -3.390 -5.675 -3.882) 7.666 4.379 ( -8.330 4.664 -2.311) 9.823 4.512 ( -6.328 -8.953 0.390) 10.970 4.731 ( -1.237 6.343 -1.567) 6.649 4.932 ( -3.868 -7.077 -0.746) 8.099 5.119 ( 3.029 6.057 -0.794) 6.819 5.350 ( 2.981 -10.526 1.680) 11.069 5.478 ( 4.902 1.084 -11.097) 12.180 5.576 ( -2.053 -6.533 -10.041) 12.154 5.789 ( -3.151 7.353 1.596) 8.157 5.931 ( -4.857 -5.997 2.529) 8.121 6.233 ( 4.640 1.260 -3.177) 5.763 6.245 ( 8.151 -0.841 -3.705) 8.993 6.491 ( 3.385 0.608 -8.570) 9.234 6.527 ( 3.526 -3.555 -7.724) 9.205 7.039 ( -0.257 2.635 5.748) 6.328 7.112 ( -0.777 -3.772 2.894) 4.817 7.335 ( -0.817 1.224 -2.606) 2.993 7.365 ( -2.701 -1.966 -1.242) 3.564 7.454 ( -2.831 0.415 0.214) 2.869 7.511 ( -3.998 -3.407 -4.621) 6.996 8.259 ( 1.520 3.809 -4.967) 6.442 8.316 ( 0.809 -1.229 -5.974) 6.153 8.562 ( -4.185 1.897 -1.000) 4.702 8.601 ( -2.699 -1.227 -2.285) 3.744 9.559 ( -5.386 4.427 11.378) 13.345 9.606 ( -5.923 1.416 12.187) 13.624 9.919 ( 0.618 5.330 -2.384) 5.872 10.010 ( 1.139 -1.962 -5.440) 5.894 10.500 ( 3.201 4.676 -4.067) 6.975 10.568 ( 2.572 -1.513 -3.585) 4.665 10.864 ( -4.004 2.791 -4.823) 6.862 10.893 ( -0.841 0.002 -2.547) 2.682 11.860 ( 4.800 2.263 2.617) 5.917 11.902 ( 5.819 -2.486 4.041) 7.508 12.043 ( -1.918 -5.002 9.994) 11.339 12.065 ( -2.934 -6.223 6.507) 9.469 12.880 ( 2.423 0.134 2.060) 3.182 12.887 ( 0.537 -0.595 3.503) 3.593 13.554 ( 5.560 2.532 0.216) 6.113 13.599 ( 5.101 -1.301 1.354) 5.436 13.873 ( -1.237 1.261 4.020) 4.391 13.914 ( -4.457 -2.259 3.264) 5.968 14.178 ( -4.367 7.688 -4.827) 10.074 14.352 ( -7.076 -8.961 -6.279) 13.031 19.362 ( 1.751 8.706 5.950) 10.690 19.499 ( 4.563 -3.693 4.785) 7.574 19.770 ( 16.493 11.357 -7.109) 21.249 19.975 ( 12.932 -7.265 -6.701) 16.276 21.284 ( -0.165 3.127 -1.661) 3.545 21.384 ( -5.878 -6.085 -1.428) 8.580 22.007 ( -9.496 7.710 -4.936) 13.190 22.167 ( -17.803 -7.659 -5.351) 20.106 23.719 ( -1.185 1.034 2.704) 3.128 23.733 ( -1.061 -0.080 2.213) 2.456 24.273 ( -1.854 2.261 -0.967) 3.079 24.340 ( -4.164 -4.131 -0.993) 5.949 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -10.209 0.000 15.088) 18.217 1.423 ( 5.977 0.000 0.989) 6.058 1.912 ( 2.636 0.000 11.502) 11.800 2.284 ( 2.972 0.000 -20.444) 20.659 2.809 ( 4.570 0.000 29.002) 29.360 3.141 ( -7.365 0.000 4.276) 8.517 3.255 ( -9.197 0.000 -12.405) 15.442 3.275 ( 4.493 0.000 -5.131) 6.820 3.575 ( -4.226 0.000 6.940) 8.126 3.673 ( -1.135 0.000 2.120) 2.405 3.724 ( 0.133 0.000 0.050) 0.143 3.734 ( 0.166 0.000 -5.843) 5.845 3.743 ( 7.559 0.000 0.009) 7.559 3.763 ( -0.856 0.000 -1.481) 1.711 4.196 ( -12.270 0.000 2.345) 12.492 4.283 ( 11.384 0.000 -5.849) 12.799 4.484 ( -2.644 0.000 13.408) 13.666 4.598 ( -1.348 0.000 1.427) 1.963 4.765 ( -0.790 0.000 3.670) 3.754 4.922 ( 10.831 0.000 -12.136) 16.266 5.132 ( -4.203 0.000 15.678) 16.231 5.460 ( -3.095 0.000 -8.014) 8.591 5.574 ( 0.419 0.000 5.038) 5.055 5.725 ( 4.373 0.000 -15.172) 15.790 5.979 ( -6.890 0.000 4.135) 8.035 6.109 ( 9.356 0.000 -6.395) 11.333 6.298 ( 2.410 0.000 7.931) 8.289 6.351 ( -2.201 0.000 3.186) 3.872 6.510 ( 3.824 0.000 -3.972) 5.513 6.539 ( -6.995 0.000 -5.224) 8.731 7.161 ( -7.000 0.000 1.660) 7.194 7.208 ( 6.367 0.000 -3.014) 7.045 7.262 ( 3.001 0.000 3.592) 4.681 7.347 ( -2.048 0.000 -4.569) 5.007 7.743 ( 2.488 0.000 1.950) 3.161 7.750 ( -3.943 0.000 1.083) 4.089 8.060 ( 1.432 0.000 1.240) 1.894 8.150 ( 0.184 0.000 -6.692) 6.695 8.254 ( -4.329 0.000 0.881) 4.418 8.290 ( 3.132 0.000 -2.405) 3.949 9.348 ( 0.006 0.000 6.346) 6.346 9.457 ( -5.603 0.000 7.161) 9.093 9.493 ( 0.413 0.000 -7.379) 7.390 9.601 ( 3.569 0.000 -6.799) 7.679 10.187 ( 0.325 0.000 -0.408) 0.521 10.204 ( 0.431 0.000 -1.986) 2.032 10.847 ( -1.516 0.000 2.877) 3.252 10.900 ( 0.371 0.000 -2.117) 2.149 11.995 ( -3.152 0.000 6.151) 6.912 12.089 ( 3.228 0.000 -3.208) 4.551 12.482 ( 0.286 0.000 2.658) 2.673 12.515 ( -2.333 0.000 -0.808) 2.469 13.127 ( 4.615 0.000 5.845) 7.447 13.251 ( -8.163 0.000 -6.385) 10.364 13.749 ( 12.346 0.000 1.660) 12.458 13.775 ( -13.804 0.000 -0.881) 13.832 13.810 ( -3.957 0.000 1.582) 4.262 13.853 ( 10.595 0.000 -2.436) 10.871 14.335 ( -23.803 0.000 6.217) 24.601 14.452 ( 29.004 0.000 -5.086) 29.447 18.725 ( 4.212 0.000 2.662) 4.982 18.767 ( -4.528 0.000 -1.454) 4.756 19.964 ( -14.160 0.000 8.023) 16.274 20.135 ( 19.647 0.000 -8.451) 21.387 21.497 ( -7.614 0.000 2.006) 7.874 21.538 ( 2.351 0.000 -2.192) 3.214 21.674 ( 20.975 0.000 2.117) 21.081 21.737 ( -22.876 0.000 -3.735) 23.179 23.697 ( -1.356 0.000 0.379) 1.408 23.707 ( 1.742 0.000 -0.690) 1.874 24.265 ( -10.421 0.000 1.298) 10.502 24.285 ( 5.864 0.000 -0.662) 5.901 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 25.021 0.000 6.497) 25.850 1.688 ( 13.329 0.000 15.237) 20.244 2.191 ( 26.086 0.000 -3.253) 26.288 2.309 ( 6.335 0.000 -19.796) 20.785 2.976 ( -12.328 0.000 -9.434) 15.524 3.001 ( 5.745 0.000 28.550) 29.122 3.107 ( -0.753 0.000 6.705) 6.747 3.359 ( 4.086 0.000 -1.111) 4.234 3.510 ( -4.376 0.000 7.990) 9.110 3.661 ( 0.031 0.000 -5.608) 5.608 3.775 ( 2.625 0.000 -0.204) 2.633 3.792 ( 12.420 0.000 1.283) 12.486 3.841 ( 5.030 0.000 0.498) 5.054 3.860 ( -9.944 0.000 -0.533) 9.959 4.057 ( 14.339 0.000 -1.792) 14.451 4.279 ( -5.005 0.000 4.480) 6.717 4.506 ( -7.946 0.000 6.440) 10.228 4.601 ( 1.834 0.000 -2.160) 2.833 4.765 ( 5.987 0.000 -4.731) 7.630 5.064 ( 6.181 0.000 -10.088) 11.831 5.133 ( -3.496 0.000 17.822) 18.162 5.381 ( -1.876 0.000 -7.199) 7.439 5.598 ( 0.943 0.000 4.864) 4.955 5.761 ( 5.424 0.000 -15.481) 16.404 5.943 ( 2.158 0.000 1.258) 2.498 6.223 ( -0.869 0.000 -2.108) 2.279 6.328 ( -3.512 0.000 9.448) 10.079 6.348 ( 6.705 0.000 -5.526) 8.689 6.423 ( -1.680 0.000 -4.791) 5.077 6.595 ( 3.719 0.000 1.326) 3.948 7.079 ( -1.158 0.000 0.522) 1.271 7.251 ( -5.693 0.000 -6.576) 8.698 7.255 ( -1.565 0.000 0.321) 1.597 7.290 ( -0.500 0.000 0.908) 1.036 7.732 ( 0.187 0.000 1.072) 1.088 7.874 ( 8.639 0.000 1.760) 8.816 8.048 ( -3.362 0.000 2.056) 3.941 8.150 ( 2.746 0.000 -7.106) 7.618 8.233 ( 2.089 0.000 2.438) 3.211 8.375 ( 5.702 0.000 -2.494) 6.223 9.393 ( -2.774 0.000 7.299) 7.808 9.404 ( 2.879 0.000 8.018) 8.519 9.513 ( 4.118 0.000 -7.929) 8.935 9.651 ( 3.502 0.000 -4.603) 5.784 10.204 ( 0.018 0.000 -2.346) 2.346 10.206 ( 1.969 0.000 -0.943) 2.183 10.797 ( -4.647 0.000 3.879) 6.053 10.862 ( -3.709 0.000 -1.429) 3.975 11.962 ( -2.256 0.000 5.815) 6.238 12.153 ( 3.896 0.000 -4.118) 5.669 12.465 ( -3.731 0.000 1.943) 4.206 12.508 ( 2.177 0.000 3.884) 4.452 13.048 ( -11.387 0.000 -3.030) 11.783 13.209 ( 1.170 0.000 7.611) 7.701 13.480 ( -12.078 0.000 -0.530) 12.090 13.768 ( -2.694 0.000 -0.910) 2.843 13.791 ( -14.448 0.000 -4.592) 15.160 13.930 ( -4.033 0.000 1.744) 4.394 14.175 ( 15.684 0.000 -0.196) 15.685 14.874 ( 15.791 0.000 -9.561) 18.460 18.689 ( -2.807 0.000 -2.221) 3.579 18.795 ( 1.435 0.000 3.982) 4.233 19.760 ( -7.677 0.000 2.490) 8.070 20.367 ( 3.778 0.000 -6.964) 7.923 21.345 ( -7.192 0.000 -2.421) 7.589 21.389 ( -5.069 0.000 3.035) 5.909 21.795 ( 18.518 0.000 -6.365) 19.582 22.119 ( 22.701 0.000 8.717) 24.317 23.672 ( -1.299 0.000 -0.357) 1.347 23.731 ( 0.767 0.000 -0.359) 0.847 24.121 ( -5.051 0.000 5.018) 7.120 24.398 ( 5.154 0.000 2.193) 5.602 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 18.213 0.000 -6.240) 19.252 1.953 ( 9.549 0.000 18.169) 20.526 2.397 ( 8.009 0.000 -14.921) 16.934 2.562 ( -1.815 0.000 -14.864) 14.975 2.910 ( 19.155 0.000 6.982) 20.387 3.152 ( 0.802 0.000 20.281) 20.297 3.183 ( 6.506 0.000 4.866) 8.125 3.392 ( -13.391 0.000 7.062) 15.139 3.425 ( 0.895 0.000 2.469) 2.626 3.611 ( -3.395 0.000 -0.171) 3.399 3.753 ( 10.709 0.000 1.322) 10.791 3.950 ( 9.393 0.000 2.966) 9.850 3.962 ( 9.955 0.000 0.092) 9.956 4.050 ( 4.531 0.000 3.300) 5.605 4.198 ( -4.989 0.000 5.552) 7.464 4.381 ( 1.953 0.000 0.563) 2.033 4.409 ( 21.009 0.000 -6.398) 21.961 4.655 ( 5.223 0.000 -4.415) 6.839 4.849 ( 2.597 0.000 5.490) 6.073 5.077 ( -0.483 0.000 -11.935) 11.944 5.138 ( 1.118 0.000 4.736) 4.867 5.354 ( 0.308 0.000 -4.318) 4.329 5.659 ( 3.921 0.000 5.516) 6.767 5.847 ( 8.058 0.000 -12.317) 14.719 6.031 ( 5.258 0.000 1.305) 5.418 6.150 ( -4.345 0.000 -1.539) 4.609 6.243 ( -6.505 0.000 4.117) 7.698 6.394 ( -2.675 0.000 2.559) 3.702 6.457 ( 4.076 0.000 -6.102) 7.338 6.618 ( -2.333 0.000 0.644) 2.420 7.070 ( -5.796 0.000 -2.375) 6.264 7.133 ( 1.153 0.000 -7.247) 7.338 7.169 ( -7.935 0.000 -1.087) 8.009 7.272 ( -0.069 0.000 1.296) 1.298 7.734 ( -0.230 0.000 0.406) 0.467 7.894 ( -5.530 0.000 1.242) 5.668 8.109 ( 7.444 0.000 4.170) 8.532 8.213 ( 5.823 0.000 -6.944) 9.062 8.289 ( 1.942 0.000 2.501) 3.167 8.472 ( 5.060 0.000 -4.421) 6.719 9.373 ( -1.414 0.000 8.393) 8.512 9.526 ( 6.477 0.000 8.705) 10.851 9.585 ( 5.175 0.000 -8.384) 9.852 9.707 ( 4.063 0.000 -2.869) 4.974 10.185 ( -1.185 0.000 -2.539) 2.802 10.253 ( 3.104 0.000 -1.803) 3.590 10.705 ( -5.933 0.000 4.021) 7.168 10.753 ( -7.164 0.000 -0.720) 7.200 11.942 ( -1.808 0.000 6.166) 6.426 12.174 ( -0.372 0.000 -5.768) 5.780 12.375 ( -6.513 0.000 4.744) 8.057 12.601 ( 3.848 0.000 5.322) 6.568 12.811 ( -10.220 0.000 -2.543) 10.532 13.189 ( -3.736 0.000 2.222) 4.347 13.365 ( -1.505 0.000 1.638) 2.224 13.465 ( -12.298 0.000 -2.865) 12.628 13.715 ( -2.517 0.000 0.827) 2.649 13.937 ( 0.654 0.000 -3.584) 3.643 14.461 ( 13.335 0.000 -0.270) 13.338 15.006 ( 2.210 0.000 -7.283) 7.611 18.653 ( 0.012 0.000 -3.299) 3.299 18.788 ( -3.616 0.000 5.634) 6.695 19.712 ( 2.429 0.000 -2.231) 3.298 20.269 ( -10.047 0.000 2.631) 10.386 21.303 ( 1.880 0.000 -8.971) 9.166 21.313 ( -4.094 0.000 3.855) 5.623 22.242 ( 29.129 0.000 -13.283) 32.014 22.538 ( 16.180 0.000 14.720) 21.874 23.645 ( -1.128 0.000 -1.572) 1.935 23.730 ( -0.880 0.000 0.777) 1.173 24.112 ( 2.374 0.000 4.362) 4.966 24.472 ( 1.333 0.000 3.372) 3.626 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -1.817 0.000 14.418) 14.532 2.124 ( 6.246 0.000 -9.831) 11.648 2.421 ( -1.320 0.000 -4.605) 4.790 2.495 ( 5.889 0.000 -10.490) 12.030 3.131 ( -10.888 0.000 5.414) 12.160 3.184 ( -1.617 0.000 9.036) 9.180 3.264 ( 8.836 0.000 6.869) 11.192 3.409 ( 13.838 0.000 2.981) 14.155 3.412 ( -1.301 0.000 4.177) 4.374 3.650 ( 4.879 0.000 2.619) 5.537 3.808 ( -5.500 0.000 5.194) 7.565 3.943 ( -8.558 0.000 -1.023) 8.619 4.133 ( -3.508 0.000 5.391) 6.432 4.157 ( 9.910 0.000 -3.645) 10.559 4.323 ( 18.461 0.000 7.333) 19.864 4.617 ( 16.999 0.000 6.057) 18.045 4.731 ( 11.931 0.000 -8.650) 14.737 4.799 ( 12.041 0.000 -5.239) 13.132 4.943 ( 4.379 0.000 5.094) 6.717 5.013 ( -1.724 0.000 -8.221) 8.400 5.175 ( 1.813 0.000 -1.525) 2.369 5.351 ( 1.343 0.000 -5.584) 5.743 5.771 ( 4.650 0.000 6.812) 8.248 5.937 ( -0.664 0.000 -5.138) 5.180 6.011 ( -9.853 0.000 5.088) 11.089 6.081 ( 2.016 0.000 -8.223) 8.466 6.200 ( 0.979 0.000 4.309) 4.419 6.383 ( 4.444 0.000 -0.363) 4.459 6.447 ( -4.013 0.000 -0.551) 4.051 6.534 ( -3.418 0.000 -2.757) 4.391 6.883 ( -9.353 0.000 -6.317) 11.286 6.947 ( -14.416 0.000 -0.408) 14.422 7.201 ( 4.798 0.000 -2.270) 5.308 7.301 ( 2.005 0.000 -1.827) 2.712 7.737 ( 0.945 0.000 -0.387) 1.021 7.797 ( -4.728 0.000 2.782) 5.486 8.235 ( 3.392 0.000 4.511) 5.644 8.309 ( 5.980 0.000 -6.838) 9.084 8.326 ( 2.208 0.000 1.099) 2.467 8.516 ( 0.866 0.000 -6.047) 6.108 9.388 ( -0.025 0.000 8.816) 8.816 9.612 ( 0.030 0.000 -6.158) 6.158 9.684 ( 6.013 0.000 10.756) 12.323 9.818 ( 8.787 0.000 -6.001) 10.641 10.153 ( -0.531 0.000 -3.297) 3.340 10.284 ( -0.685 0.000 -2.234) 2.336 10.609 ( -4.964 0.000 3.165) 5.887 10.610 ( -6.115 0.000 -0.451) 6.131 11.933 ( -1.241 0.000 6.845) 6.957 12.124 ( -2.273 0.000 -5.696) 6.133 12.272 ( -5.263 0.000 6.492) 8.357 12.490 ( -9.663 0.000 -2.768) 10.052 12.848 ( 7.914 0.000 3.808) 8.783 13.137 ( -1.883 0.000 -2.163) 2.868 13.320 ( -3.593 0.000 0.526) 3.631 13.350 ( -1.487 0.000 1.574) 2.165 13.689 ( -0.789 0.000 4.331) 4.402 13.914 ( -1.284 0.000 -6.109) 6.242 14.673 ( 8.999 0.000 0.259) 9.003 14.963 ( -3.772 0.000 -4.431) 5.819 18.669 ( 2.857 0.000 -4.201) 5.080 18.712 ( -5.554 0.000 5.785) 8.020 19.812 ( 8.232 0.000 -4.010) 9.156 20.071 ( -11.575 0.000 5.758) 12.928 21.255 ( -3.454 0.000 4.388) 5.584 21.319 ( 2.634 0.000 -9.463) 9.823 22.731 ( 25.572 0.000 -16.517) 30.442 22.778 ( 2.624 0.000 17.511) 17.707 23.631 ( 0.835 0.000 -2.604) 2.735 23.700 ( -2.795 0.000 1.328) 3.095 24.221 ( 7.551 0.000 1.767) 7.755 24.463 ( -3.115 0.000 2.141) 3.780 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -10.186 0.000 12.608) 16.209 2.162 ( 0.821 0.000 -1.617) 1.813 2.438 ( -1.715 0.000 1.199) 2.092 2.536 ( 0.836 0.000 -8.476) 8.517 3.035 ( 0.318 0.000 8.344) 8.350 3.174 ( 1.120 0.000 -3.211) 3.401 3.423 ( 5.821 0.000 2.969) 6.534 3.426 ( 0.512 0.000 3.099) 3.141 3.651 ( 11.781 0.000 2.425) 12.028 3.664 ( -8.763 0.000 0.640) 8.786 3.768 ( 6.707 0.000 1.389) 6.849 3.805 ( -5.902 0.000 -1.578) 6.109 4.095 ( -3.542 0.000 9.254) 9.909 4.262 ( 2.317 0.000 -5.491) 5.960 4.515 ( -0.059 0.000 12.006) 12.006 4.768 ( -5.419 0.000 -11.909) 13.084 4.862 ( -0.472 0.000 4.921) 4.944 4.904 ( -2.623 0.000 -1.481) 3.013 4.952 ( -4.326 0.000 3.945) 5.855 5.063 ( 8.815 0.000 -1.924) 9.022 5.259 ( 6.266 0.000 -1.090) 6.360 5.321 ( -6.655 0.000 -8.892) 11.106 5.783 ( -1.983 0.000 3.508) 4.029 5.823 ( -2.291 0.000 -1.076) 2.531 5.910 ( -2.522 0.000 10.241) 10.547 6.148 ( 3.262 0.000 -10.810) 11.291 6.238 ( 3.314 0.000 7.594) 8.285 6.368 ( -1.647 0.000 -5.432) 5.676 6.492 ( -3.907 0.000 0.741) 3.976 6.537 ( 5.551 0.000 -3.578) 6.604 6.705 ( -5.344 0.000 0.591) 5.376 6.767 ( 3.949 0.000 -5.685) 6.922 7.268 ( 2.324 0.000 -0.463) 2.370 7.295 ( -2.273 0.000 -2.914) 3.695 7.742 ( -1.746 0.000 1.528) 2.320 7.780 ( 4.146 0.000 -2.062) 4.631 8.252 ( -2.548 0.000 4.827) 5.458 8.375 ( 2.387 0.000 -6.345) 6.779 8.394 ( 3.744 0.000 0.826) 3.834 8.470 ( -2.866 0.000 -6.698) 7.286 9.421 ( 0.142 0.000 9.873) 9.874 9.575 ( -1.450 0.000 -5.670) 5.852 9.767 ( -1.353 0.000 8.823) 8.926 9.963 ( 7.421 0.000 -9.628) 12.156 10.170 ( -9.016 0.000 -0.563) 9.034 10.187 ( 5.056 0.000 -1.954) 5.420 10.551 ( -1.316 0.000 1.577) 2.054 10.580 ( 2.782 0.000 -1.162) 3.015 11.942 ( -0.110 0.000 7.823) 7.823 12.072 ( -1.238 0.000 -5.046) 5.195 12.246 ( 0.889 0.000 7.656) 7.708 12.361 ( -2.447 0.000 -3.683) 4.422 12.988 ( 4.835 0.000 4.424) 6.553 13.076 ( -4.238 0.000 -4.052) 5.863 13.300 ( 0.466 0.000 2.570) 2.612 13.315 ( -2.370 0.000 1.502) 2.806 13.718 ( 1.968 0.000 6.319) 6.618 13.862 ( -1.730 0.000 -7.330) 7.531 14.811 ( 5.397 0.000 1.260) 5.542 14.856 ( -6.038 0.000 -3.367) 6.913 18.631 ( -4.428 0.000 5.050) 6.716 18.731 ( 5.001 0.000 -4.693) 6.858 19.876 ( -10.574 0.000 6.042) 12.178 19.974 ( 9.517 0.000 -3.423) 10.114 21.209 ( -2.749 0.000 4.534) 5.302 21.344 ( 2.889 0.000 -8.584) 9.057 22.730 ( -12.610 0.000 16.038) 20.402 23.075 ( 15.238 0.000 -17.115) 22.915 23.629 ( -4.856 0.000 1.990) 5.248 23.666 ( 3.040 0.000 -1.610) 3.440 24.379 ( -5.554 0.000 -0.457) 5.573 24.389 ( 9.436 0.000 -1.756) 9.598 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -9.484 0.000 15.033) 17.775 2.176 ( -0.520 0.000 10.381) 10.394 2.333 ( -8.774 0.000 5.135) 10.166 2.464 ( -4.879 0.000 -10.281) 11.380 3.151 ( 7.204 0.000 6.444) 9.665 3.241 ( 5.670 0.000 -5.152) 7.661 3.411 ( -0.699 0.000 -6.670) 6.706 3.482 ( -12.110 0.000 -2.606) 12.387 3.491 ( 0.710 0.000 -0.056) 0.712 3.688 ( -5.837 0.000 -0.404) 5.851 3.878 ( 10.652 0.000 4.149) 11.431 3.919 ( 8.096 0.000 -3.852) 8.966 4.032 ( -5.705 0.000 7.536) 9.452 4.240 ( -2.127 0.000 -3.888) 4.431 4.447 ( -8.157 0.000 18.528) 20.244 4.468 ( -22.304 0.000 -6.646) 23.273 4.668 ( -18.157 0.000 5.463) 18.961 4.718 ( -14.908 0.000 -4.490) 15.569 4.885 ( -4.288 0.000 3.502) 5.537 5.087 ( -7.722 0.000 -2.339) 8.068 5.220 ( 6.163 0.000 -10.685) 12.335 5.287 ( -0.260 0.000 0.816) 0.856 5.764 ( -7.234 0.000 9.887) 12.251 5.795 ( -6.276 0.000 3.515) 7.194 5.961 ( 6.723 0.000 4.728) 8.220 6.153 ( 2.271 0.000 -6.834) 7.202 6.303 ( -1.312 0.000 -9.787) 9.874 6.385 ( 5.936 0.000 5.512) 8.101 6.452 ( 2.766 0.000 -2.994) 4.076 6.522 ( 0.068 0.000 -1.426) 1.428 6.796 ( 9.306 0.000 2.156) 9.552 6.979 ( 13.723 0.000 -3.669) 14.206 7.210 ( -4.874 0.000 -2.955) 5.700 7.288 ( 0.561 0.000 -0.711) 0.906 7.733 ( 0.347 0.000 -0.116) 0.366 7.871 ( 5.673 0.000 -4.178) 7.045 8.186 ( -5.546 0.000 4.669) 7.250 8.322 ( -5.630 0.000 -3.864) 6.828 8.422 ( 0.268 0.000 -7.743) 7.748 8.442 ( 0.516 0.000 1.107) 1.222 9.436 ( -2.295 0.000 10.906) 11.145 9.536 ( -0.449 0.000 -6.097) 6.113 9.727 ( -3.398 0.000 2.720) 4.353 9.896 ( -9.204 0.000 -8.803) 12.736 10.129 ( 3.597 0.000 -1.534) 3.911 10.255 ( 0.618 0.000 0.665) 0.907 10.604 ( 6.574 0.000 0.173) 6.576 10.665 ( 5.942 0.000 -2.126) 6.311 11.977 ( 0.939 0.000 8.810) 8.860 12.048 ( 0.209 0.000 -4.577) 4.582 12.364 ( 3.031 0.000 -2.586) 3.984 12.376 ( 10.452 0.000 8.744) 13.627 12.942 ( -8.139 0.000 -5.215) 9.667 13.071 ( 3.421 0.000 3.997) 5.261 13.285 ( -1.163 0.000 4.046) 4.210 13.338 ( 2.349 0.000 2.455) 3.398 13.790 ( 3.247 0.000 5.772) 6.623 13.809 ( -1.445 0.000 -6.986) 7.133 14.709 ( -8.621 0.000 -3.575) 9.333 14.885 ( 1.386 0.000 3.331) 3.607 18.583 ( -1.960 0.000 4.139) 4.580 18.820 ( 5.343 0.000 -4.558) 7.024 19.719 ( -7.188 0.000 4.980) 8.745 20.137 ( 7.756 0.000 -0.628) 7.781 21.182 ( -1.234 0.000 3.847) 4.041 21.376 ( 3.158 0.000 -7.520) 8.156 22.437 ( -21.665 0.000 12.365) 24.945 23.147 ( -3.561 0.000 -17.699) 18.054 23.576 ( 0.011 0.000 2.591) 2.591 23.714 ( 1.891 0.000 -0.256) 1.908 24.270 ( -4.783 0.000 -2.816) 5.550 24.538 ( 6.546 0.000 -5.527) 8.567 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -10.895 0.000 14.884) 18.446 2.161 ( -10.479 0.000 13.762) 17.298 2.162 ( -11.354 0.000 6.772) 13.220 2.330 ( -3.164 0.000 -7.209) 7.873 2.986 ( -26.456 0.000 0.449) 26.460 3.297 ( 5.861 0.000 3.368) 6.760 3.313 ( -3.074 0.000 -6.709) 7.380 3.447 ( -5.497 0.000 0.250) 5.502 3.542 ( 15.433 0.000 -6.310) 16.673 3.625 ( -0.442 0.000 -2.245) 2.288 3.836 ( -18.058 0.000 -4.576) 18.628 3.957 ( -3.517 0.000 1.004) 3.657 4.008 ( -7.559 0.000 -1.130) 7.643 4.071 ( -0.530 0.000 -1.561) 1.648 4.259 ( -21.920 0.000 5.869) 22.693 4.315 ( 2.418 0.000 -4.526) 5.132 4.390 ( -9.249 0.000 -0.488) 9.262 4.450 ( 0.034 0.000 18.098) 18.098 4.812 ( -6.168 0.000 9.698) 11.493 4.966 ( -4.645 0.000 -5.791) 7.423 5.285 ( -1.319 0.000 2.088) 2.470 5.338 ( 11.138 0.000 -12.741) 16.923 5.636 ( -7.432 0.000 8.261) 11.112 5.668 ( -6.182 0.000 4.076) 7.405 6.095 ( 5.171 0.000 4.347) 6.756 6.108 ( -3.758 0.000 -5.788) 6.901 6.337 ( 4.370 0.000 -8.180) 9.274 6.339 ( -8.274 0.000 4.851) 9.591 6.498 ( 2.039 0.000 -4.061) 4.544 6.628 ( 5.396 0.000 -0.059) 5.396 6.984 ( 9.003 0.000 3.206) 9.557 7.123 ( -2.527 0.000 -3.219) 4.093 7.177 ( 7.579 0.000 -1.974) 7.832 7.312 ( 2.571 0.000 -2.628) 3.676 7.746 ( 0.818 0.000 -0.821) 1.159 7.945 ( 2.846 0.000 -3.885) 4.816 8.091 ( -5.213 0.000 4.378) 6.807 8.188 ( -6.497 0.000 -2.810) 7.079 8.397 ( -1.112 0.000 -7.656) 7.736 8.418 ( -3.085 0.000 0.779) 3.182 9.403 ( -4.065 0.000 9.231) 10.086 9.523 ( 1.116 0.000 -6.531) 6.626 9.663 ( -4.453 0.000 1.075) 4.581 9.703 ( -7.602 0.000 -7.829) 10.913 10.177 ( 1.715 0.000 -1.840) 2.515 10.234 ( -1.829 0.000 0.055) 1.830 10.743 ( 6.562 0.000 0.196) 6.565 10.775 ( 6.025 0.000 -2.682) 6.595 12.021 ( 0.373 0.000 9.153) 9.161 12.047 ( 0.971 0.000 -4.198) 4.308 12.425 ( 3.068 0.000 -0.262) 3.079 12.672 ( 12.357 0.000 2.109) 12.535 12.771 ( -3.038 0.000 -1.529) 3.401 13.187 ( 8.692 0.000 1.787) 8.874 13.332 ( 5.812 0.000 9.853) 11.440 13.394 ( 2.706 0.000 -0.397) 2.735 13.762 ( -1.588 0.000 -4.005) 4.309 13.864 ( 2.798 0.000 3.660) 4.607 14.494 ( -12.972 0.000 -3.834) 13.526 14.868 ( -5.342 0.000 6.245) 8.219 18.586 ( 1.000 0.000 3.259) 3.408 18.881 ( 1.691 0.000 -3.279) 3.689 19.667 ( 1.521 0.000 2.220) 2.691 20.239 ( 1.336 0.000 4.999) 5.174 21.202 ( 3.202 0.000 1.337) 3.470 21.418 ( 3.506 0.000 -6.423) 7.317 22.036 ( -22.113 0.000 7.480) 23.344 22.854 ( -20.324 0.000 -15.419) 25.511 23.622 ( 2.995 0.000 0.258) 3.006 23.731 ( -0.034 0.000 0.417) 0.418 24.198 ( -1.380 0.000 -3.892) 4.130 24.577 ( -0.729 0.000 -7.497) 7.533 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -12.672 0.000 6.569) 14.273 1.713 ( -35.259 0.000 10.765) 36.866 1.961 ( -10.334 0.000 10.117) 14.462 2.308 ( 0.520 0.000 -11.192) 11.204 2.700 ( -3.908 0.000 17.787) 18.211 3.257 ( -0.259 0.000 -7.445) 7.449 3.296 ( -9.546 0.000 4.277) 10.460 3.371 ( 0.788 0.000 -4.450) 4.520 3.591 ( -3.501 0.000 -2.888) 4.539 3.642 ( 2.731 0.000 -2.572) 3.752 3.785 ( 3.300 0.000 -2.851) 4.361 3.815 ( -14.574 0.000 -0.739) 14.593 3.847 ( -9.984 0.000 -0.557) 9.999 3.869 ( -8.468 0.000 -0.787) 8.505 4.015 ( 6.444 0.000 1.105) 6.538 4.297 ( 0.049 0.000 0.799) 0.801 4.526 ( 0.804 0.000 5.058) 5.121 4.542 ( 9.089 0.000 4.370) 10.085 4.732 ( -4.910 0.000 21.887) 22.431 4.859 ( -2.145 0.000 -12.701) 12.881 5.223 ( -6.211 0.000 4.348) 7.582 5.505 ( 4.788 0.000 -13.380) 14.211 5.566 ( -2.153 0.000 6.026) 6.399 5.636 ( 5.387 0.000 -2.207) 5.822 6.036 ( -0.406 0.000 -6.345) 6.358 6.134 ( -7.826 0.000 4.826) 9.194 6.225 ( 0.823 0.000 6.598) 6.649 6.356 ( -0.020 0.000 -0.592) 0.592 6.502 ( 0.356 0.000 -6.252) 6.262 6.650 ( -2.385 0.000 -2.934) 3.781 7.113 ( 3.221 0.000 -2.971) 4.382 7.151 ( 6.896 0.000 3.443) 7.708 7.249 ( -0.365 0.000 -0.767) 0.849 7.350 ( 2.159 0.000 -3.362) 3.996 7.743 ( -1.053 0.000 0.137) 1.062 7.888 ( -8.314 0.000 -0.383) 8.323 8.040 ( -0.955 0.000 2.834) 2.991 8.134 ( 2.431 0.000 -4.590) 5.194 8.320 ( -3.885 0.000 -6.251) 7.360 8.343 ( -4.678 0.000 0.352) 4.692 9.358 ( -2.931 0.000 6.939) 7.533 9.527 ( 0.128 0.000 -6.493) 6.494 9.560 ( -6.678 0.000 4.048) 7.810 9.581 ( -1.154 0.000 -8.176) 8.257 10.188 ( 0.122 0.000 -0.864) 0.872 10.208 ( -0.536 0.000 -1.111) 1.234 10.832 ( 2.462 0.000 1.348) 2.807 10.864 ( 3.944 0.000 -2.589) 4.718 12.031 ( -2.307 0.000 7.839) 8.172 12.057 ( 1.498 0.000 -3.634) 3.930 12.465 ( 0.959 0.000 1.841) 2.076 12.587 ( -5.084 0.000 -4.099) 6.530 12.993 ( 9.239 0.000 2.628) 9.605 13.363 ( 1.874 0.000 -7.192) 7.433 13.460 ( 11.425 0.000 1.332) 11.503 13.639 ( 19.170 0.000 10.497) 21.855 13.752 ( 1.994 0.000 0.459) 2.046 13.933 ( 4.992 0.000 1.596) 5.241 14.209 ( -12.905 0.000 -3.476) 13.365 14.696 ( -15.440 0.000 7.994) 17.387 18.639 ( 3.508 0.000 2.610) 4.373 18.853 ( -3.427 0.000 -1.668) 3.811 19.813 ( 13.740 0.000 -2.358) 13.941 20.183 ( -9.921 0.000 10.019) 14.099 21.346 ( 12.576 0.000 -1.312) 12.645 21.471 ( 4.036 0.000 -5.126) 6.524 21.696 ( -14.616 0.000 3.328) 14.990 22.320 ( -30.233 0.000 -10.862) 32.125 23.671 ( 2.233 0.000 -0.512) 2.291 23.720 ( -1.143 0.000 0.648) 1.314 24.202 ( 3.017 0.000 -3.164) 4.372 24.464 ( -8.546 0.000 -4.781) 9.792 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -7.740 11.378 13.665) 19.393 1.576 ( 5.799 12.344 -5.721) 14.790 2.065 ( -1.214 14.068 16.304) 21.568 2.447 ( 5.051 13.652 -18.710) 23.705 2.847 ( 4.080 3.677 26.033) 26.607 3.077 ( -6.922 -6.098 4.154) 10.117 3.189 ( 1.214 -6.668 -4.782) 8.295 3.270 ( -5.431 0.099 -10.795) 12.085 3.540 ( -5.495 -6.304 3.934) 9.242 3.618 ( 2.191 -2.203 -0.277) 3.119 3.644 ( 2.709 0.837 2.133) 3.548 3.767 ( 0.104 3.650 -6.461) 7.421 3.838 ( 2.494 4.335 1.302) 5.168 3.846 ( -2.010 4.737 0.546) 5.174 4.252 ( -8.424 4.807 0.823) 9.734 4.300 ( 7.164 2.258 -3.768) 8.403 4.503 ( 1.992 2.486 14.040) 14.397 4.640 ( -2.672 2.259 2.181) 4.123 4.741 ( -1.432 -2.482 3.203) 4.298 4.935 ( 7.005 0.042 -11.425) 13.402 5.081 ( -3.445 -3.862 13.471) 14.431 5.422 ( -1.545 -3.764 -11.237) 11.951 5.590 ( 0.190 1.472 5.423) 5.623 5.726 ( 4.416 -0.746 -11.665) 12.496 5.911 ( -1.938 -6.106 4.072) 7.591 6.029 ( 3.129 -5.577 -5.065) 8.158 6.255 ( -4.423 -3.960 4.981) 7.749 6.350 ( 3.588 -0.751 -0.335) 3.681 6.474 ( 5.134 -1.163 -1.494) 5.472 6.559 ( -4.735 -1.176 -5.697) 7.501 7.088 ( 1.141 -3.276 2.230) 4.124 7.136 ( -0.566 -4.240 -2.641) 5.028 7.318 ( -3.285 2.613 2.791) 5.041 7.375 ( 1.274 0.468 -2.603) 2.935 7.636 ( 2.263 -6.842 3.474) 8.001 7.685 ( -1.714 -5.703 -0.801) 6.008 8.068 ( 2.574 1.861 -0.516) 3.218 8.122 ( -0.818 0.356 -5.403) 5.476 8.365 ( -3.361 5.805 1.209) 6.816 8.416 ( 2.016 7.618 -3.256) 8.526 9.425 ( -0.210 7.136 7.206) 10.144 9.505 ( -5.000 4.441 8.769) 11.029 9.579 ( 0.178 7.554 -7.531) 10.668 9.681 ( 3.710 6.928 -8.486) 11.566 10.206 ( -2.811 2.473 0.425) 3.768 10.247 ( 3.056 3.629 -3.273) 5.764 10.840 ( -1.454 -0.652 3.054) 3.444 10.895 ( 0.256 -0.441 -2.221) 2.278 11.987 ( -2.610 -0.829 6.101) 6.687 12.081 ( 3.080 -0.839 -3.155) 4.488 12.417 ( -0.146 -5.765 3.164) 6.578 12.461 ( -2.099 -4.813 -1.063) 5.357 13.096 ( 4.153 -2.662 5.870) 7.667 13.222 ( -6.664 -2.727 -6.484) 9.689 13.715 ( 3.721 -3.861 3.578) 6.446 13.759 ( -0.134 -1.728 -0.896) 1.951 13.832 ( -6.527 1.985 2.199) 7.168 13.885 ( 8.529 2.944 -2.495) 9.361 14.197 ( -3.476 -9.504 9.123) 13.625 14.370 ( 5.640 -7.039 -7.576) 11.779 18.900 ( -4.130 12.442 1.723) 13.223 18.946 ( 4.442 17.553 -3.114) 18.373 19.944 ( -11.431 -1.917 8.420) 14.326 20.124 ( 16.017 -1.155 -8.911) 18.365 21.427 ( -7.816 -4.910 1.942) 9.433 21.481 ( 8.776 -4.615 -3.365) 10.471 21.726 ( 7.326 3.567 1.724) 8.329 21.772 ( -14.243 2.463 -2.579) 14.682 23.700 ( -1.109 0.733 1.352) 1.896 23.725 ( 1.518 1.248 -1.092) 2.248 24.263 ( -7.405 -0.263 0.975) 7.474 24.281 ( 3.653 -0.385 -0.749) 3.749 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 21.176 8.856 7.108) 24.029 1.851 ( 16.310 13.380 6.768) 22.155 2.225 ( 15.889 6.191 2.650) 17.258 2.520 ( 9.436 15.214 -18.866) 26.009 2.991 ( -7.003 1.759 -5.132) 8.859 3.015 ( 3.870 0.894 23.565) 23.897 3.055 ( -3.108 -4.550 5.238) 7.603 3.306 ( 4.768 -4.863 -1.187) 6.913 3.516 ( 1.088 -1.165 6.765) 6.950 3.663 ( 0.372 -0.093 4.069) 4.087 3.678 ( -0.995 -0.857 -3.767) 3.990 3.758 ( 5.048 -1.052 -2.966) 5.949 3.891 ( 5.920 4.227 1.250) 7.381 4.015 ( 11.667 -1.984 -2.018) 12.005 4.075 ( -4.575 11.705 -2.980) 12.916 4.267 ( -6.404 -0.769 7.600) 9.969 4.546 ( -5.102 3.316 2.488) 6.574 4.603 ( 1.467 0.221 0.773) 1.673 4.796 ( 5.986 1.791 -2.058) 6.578 5.010 ( 1.310 -6.130 2.782) 6.858 5.121 ( 3.892 0.404 3.123) 5.006 5.345 ( -2.517 -3.085 -8.089) 9.016 5.615 ( 1.024 0.671 4.928) 5.078 5.761 ( 4.392 -0.626 -13.498) 14.209 5.899 ( 1.055 -3.703 -0.853) 3.944 6.111 ( 3.169 -8.690 -1.139) 9.320 6.207 ( -1.025 -6.621 6.095) 9.058 6.383 ( -3.386 0.539 -1.131) 3.610 6.465 ( 3.259 0.342 -8.747) 9.341 6.587 ( 2.879 -1.189 1.275) 3.366 7.050 ( -4.920 -3.778 0.254) 6.208 7.138 ( 2.452 -0.417 -3.585) 4.364 7.280 ( -1.930 0.993 3.180) 3.850 7.370 ( -1.683 1.292 -0.850) 2.286 7.668 ( 0.384 -4.267 -0.202) 4.289 7.773 ( 8.375 -8.249 1.687) 11.876 8.093 ( -0.014 -0.089 -5.990) 5.990 8.096 ( -0.039 2.409 -0.763) 2.527 8.344 ( 1.419 6.348 1.972) 6.797 8.472 ( 4.056 5.972 -1.972) 7.484 9.445 ( -2.361 4.894 7.932) 9.615 9.469 ( 1.418 6.001 8.107) 10.185 9.599 ( 4.072 7.466 -6.942) 10.978 9.747 ( 4.894 8.489 -6.505) 11.761 10.166 ( -1.431 -0.343 0.857) 1.703 10.297 ( 3.075 5.446 -3.569) 7.201 10.792 ( -4.494 -0.463 3.975) 6.018 10.855 ( -3.860 -0.667 -1.414) 4.165 11.950 ( -2.773 -1.141 5.207) 6.009 12.136 ( 2.780 -1.832 -4.228) 5.381 12.416 ( -3.110 -4.452 1.585) 5.657 12.444 ( 2.439 -5.327 4.581) 7.438 13.040 ( -10.547 -0.854 -3.494) 11.143 13.178 ( 2.191 -3.456 6.606) 7.771 13.471 ( -14.481 -0.269 -0.117) 14.484 13.714 ( -6.932 -2.512 -3.336) 8.093 13.832 ( -6.256 1.697 -1.133) 6.581 13.952 ( -2.705 1.503 1.539) 3.456 14.164 ( 15.270 -0.636 -0.775) 15.303 14.686 ( 15.367 -15.367 -5.162) 22.337 18.805 ( -4.764 10.308 0.122) 11.356 18.982 ( -1.494 15.569 -0.123) 15.641 19.760 ( -7.239 -0.083 2.271) 7.587 20.298 ( 1.259 -6.021 -5.925) 8.540 21.305 ( -1.528 -1.439 -3.801) 4.342 21.479 ( -7.134 5.857 3.768) 9.969 21.757 ( 18.706 -3.451 -6.486) 20.097 22.093 ( 19.864 -2.431 8.070) 21.578 23.685 ( -0.843 1.095 1.093) 1.762 23.746 ( 0.848 1.400 -1.707) 2.365 24.132 ( -4.598 1.166 4.106) 6.273 24.392 ( 5.391 -0.721 1.849) 5.745 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 15.545 3.966 -1.636) 16.126 2.116 ( 9.168 13.705 11.915) 20.343 2.505 ( 10.694 8.519 -9.629) 16.723 2.597 ( -4.628 3.432 -13.370) 14.559 2.990 ( 16.576 7.413 3.392) 18.473 3.089 ( 2.403 -7.071 8.117) 11.030 3.151 ( 2.559 -0.735 13.605) 13.863 3.369 ( 0.676 -3.707 3.801) 5.352 3.483 ( -11.977 5.655 4.389) 13.953 3.634 ( 2.514 4.356 -0.309) 5.038 3.750 ( 11.210 -1.416 2.735) 11.625 3.871 ( 5.758 -3.753 2.537) 7.327 4.058 ( 9.251 3.197 1.778) 9.948 4.103 ( -2.185 4.235 2.739) 5.497 4.199 ( 2.642 2.107 0.991) 3.521 4.213 ( 10.777 -6.368 1.967) 12.672 4.566 ( 10.807 5.860 -4.508) 13.094 4.673 ( 6.044 1.252 -1.906) 6.460 4.836 ( -0.288 -1.360 4.834) 5.030 5.033 ( 1.100 -1.340 -6.352) 6.584 5.197 ( 3.316 2.762 -0.017) 4.315 5.302 ( 0.221 -3.874 -4.563) 5.990 5.673 ( 3.359 -0.180 5.420) 6.379 5.824 ( 5.272 -2.985 -9.714) 11.449 5.917 ( 1.748 -5.567 -4.889) 7.612 6.164 ( 2.176 -2.576 3.515) 4.871 6.221 ( 0.840 -9.505 6.457) 11.522 6.279 ( -6.713 0.506 -2.696) 7.252 6.493 ( 0.747 -0.049 -7.890) 7.926 6.606 ( -1.633 -1.757 0.526) 2.455 6.945 ( -6.294 -4.408 -1.163) 7.771 7.148 ( -0.208 1.453 -2.583) 2.971 7.276 ( -2.650 4.243 -2.134) 5.438 7.299 ( -2.042 1.468 0.109) 2.518 7.665 ( -0.776 -3.889 0.787) 4.043 7.884 ( 0.532 -6.121 0.941) 6.215 8.085 ( 1.869 1.092 0.973) 2.374 8.107 ( 2.484 -3.341 -5.755) 7.103 8.410 ( 4.147 6.681 0.622) 7.888 8.546 ( 4.171 4.625 -2.185) 6.600 9.437 ( -0.802 5.654 8.377) 10.138 9.570 ( 6.138 4.380 7.929) 10.942 9.675 ( 5.298 7.567 -7.039) 11.614 9.809 ( 3.609 9.333 -4.085) 10.808 10.161 ( 0.481 -1.017 0.835) 1.400 10.333 ( 1.686 5.907 -4.470) 7.597 10.705 ( -5.550 -0.064 3.650) 6.643 10.746 ( -6.966 -0.563 -0.172) 6.991 11.918 ( -2.271 -2.218 5.269) 6.152 12.132 ( -1.397 -3.962 -5.400) 6.841 12.343 ( -5.373 -2.925 4.198) 7.419 12.538 ( 3.443 -5.389 4.613) 7.885 12.817 ( -9.340 0.518 -2.634) 9.718 13.217 ( -0.937 -7.870 1.991) 8.172 13.248 ( -6.397 3.917 -0.019) 7.501 13.549 ( -7.130 3.543 -1.241) 8.058 13.728 ( -3.136 1.416 1.672) 3.825 13.972 ( 1.243 2.870 -3.491) 4.687 14.431 ( 12.316 -2.693 -0.504) 12.617 14.852 ( 4.300 -13.299 -4.458) 14.671 18.736 ( -2.032 7.445 -1.953) 7.961 18.897 ( -7.050 9.369 3.813) 12.330 19.707 ( 1.278 -0.543 -2.201) 2.603 20.183 ( -9.868 -7.416 1.847) 12.482 21.323 ( 3.981 2.178 -9.113) 10.180 21.392 ( -4.107 6.798 5.216) 9.501 22.194 ( 27.961 -4.616 -12.816) 31.103 22.469 ( 14.568 -6.341 13.664) 20.956 23.673 ( -0.693 1.901 0.048) 2.024 23.740 ( -0.857 1.548 -1.437) 2.280 24.127 ( 2.367 1.464 4.614) 5.389 24.473 ( 2.008 -0.245 2.527) 3.237 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 4.637 1.840 -5.919) 7.741 2.256 ( -1.704 12.220 9.993) 15.877 2.452 ( -0.016 3.428 -3.118) 4.634 2.627 ( 5.117 11.166 -8.773) 15.094 3.092 ( -2.452 -3.617 6.768) 8.057 3.227 ( -7.901 3.245 4.510) 9.659 3.252 ( 4.646 -2.367 6.272) 8.157 3.373 ( 12.516 0.956 6.215) 14.007 3.396 ( -0.660 -1.917 1.593) 2.578 3.662 ( -0.602 0.066 -1.200) 1.344 3.856 ( -1.136 4.545 9.079) 10.216 3.957 ( -1.471 0.778 -2.196) 2.755 4.137 ( 8.945 -0.098 -2.319) 9.242 4.155 ( -0.192 1.049 6.165) 6.257 4.356 ( 10.366 1.113 7.504) 12.845 4.521 ( 18.293 -3.606 0.849) 18.664 4.781 ( 4.990 -0.878 -10.357) 11.530 4.815 ( 12.591 1.927 -3.043) 13.096 4.879 ( 3.030 -5.372 3.367) 7.027 5.039 ( 3.692 4.686 -3.123) 6.733 5.237 ( 0.459 2.945 -1.141) 3.192 5.318 ( 2.454 -1.590 -4.933) 5.735 5.746 ( 0.194 -3.999 4.579) 6.083 5.859 ( 2.967 -3.829 0.288) 4.852 5.983 ( 4.466 -3.514 -8.288) 10.050 6.109 ( -7.028 -0.875 -3.015) 7.698 6.154 ( -3.020 -3.463 6.688) 8.115 6.348 ( 6.655 -4.731 5.337) 9.755 6.438 ( -4.226 3.480 -6.065) 8.171 6.531 ( -3.263 -1.360 -3.269) 4.815 6.804 ( -6.681 -2.084 -2.229) 7.345 7.060 ( -10.941 3.937 -3.281) 12.081 7.197 ( 0.464 0.419 2.525) 2.601 7.325 ( 2.223 1.298 -5.700) 6.254 7.661 ( 0.578 -4.327 1.466) 4.605 7.824 ( -5.212 -1.773 0.574) 5.535 8.127 ( 1.648 -6.033 0.565) 6.279 8.167 ( 4.080 -4.019 -4.043) 7.010 8.492 ( 4.327 7.151 -0.576) 8.379 8.597 ( 1.425 5.129 -2.891) 6.058 9.463 ( 0.596 6.676 8.780) 11.046 9.703 ( -0.521 7.973 -5.657) 9.790 9.729 ( 6.584 4.112 10.096) 12.735 9.908 ( 8.878 7.897 -6.044) 13.331 10.171 ( 0.238 1.367 -0.488) 1.471 10.317 ( -2.691 2.962 -4.944) 6.361 10.614 ( -6.014 0.575 2.031) 6.374 10.621 ( -3.416 1.155 0.693) 3.672 11.899 ( -1.410 -2.985 5.878) 6.742 12.074 ( -2.462 -4.600 -5.169) 7.345 12.257 ( -4.545 -1.344 5.880) 7.552 12.458 ( -8.372 -3.187 -2.554) 9.315 12.828 ( 6.995 -1.334 2.601) 7.581 13.116 ( -4.527 -3.658 -1.706) 6.065 13.272 ( 2.426 1.119 2.071) 3.381 13.436 ( -5.210 3.753 0.071) 6.421 13.711 ( 0.068 2.169 5.039) 5.487 13.958 ( -1.008 3.802 -6.180) 7.325 14.623 ( 7.897 -4.613 0.566) 9.163 14.856 ( -1.671 -9.536 -3.633) 10.341 18.721 ( 1.415 4.791 -3.371) 6.027 18.772 ( -6.834 5.393 4.782) 9.933 19.771 ( 5.496 -3.766 -2.623) 7.160 19.994 ( -10.184 -6.704 3.710) 12.744 21.335 ( -3.476 7.160 5.376) 9.605 21.380 ( 4.365 5.674 -9.256) 11.701 22.659 ( 23.026 -6.752 -13.983) 27.773 22.687 ( 3.775 -8.276 14.267) 16.921 23.663 ( -0.170 2.107 -0.592) 2.195 23.708 ( -1.973 1.782 -1.067) 2.865 24.232 ( 6.759 1.092 3.387) 7.638 24.478 ( -1.994 0.828 0.762) 2.289 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -8.606 7.990 8.773) 14.659 2.200 ( -0.213 3.424 -0.534) 3.472 2.517 ( -1.534 7.747 3.964) 8.836 2.651 ( 2.092 9.758 -7.799) 12.666 3.067 ( -1.323 3.356 5.894) 6.911 3.151 ( 1.842 -1.609 -0.316) 2.466 3.363 ( 2.656 -4.348 4.116) 6.550 3.404 ( 2.237 -1.845 -0.400) 2.927 3.560 ( 1.464 -5.360 3.484) 6.559 3.614 ( 0.575 -2.626 -1.837) 3.256 3.844 ( -1.244 5.993 6.360) 8.826 3.960 ( 3.416 9.803 -4.533) 11.328 4.129 ( -2.997 2.884 8.074) 9.082 4.267 ( 2.580 -0.077 -3.881) 4.661 4.470 ( -1.582 -3.973 11.144) 11.937 4.718 ( -2.489 -3.855 -10.584) 11.536 4.797 ( 0.827 -4.312 2.183) 4.903 4.824 ( -3.743 -4.403 -1.124) 5.887 5.012 ( -1.147 0.216 5.258) 5.386 5.165 ( 6.399 7.341 -1.166) 9.808 5.252 ( 5.185 0.745 -2.530) 5.817 5.264 ( -8.296 -2.425 -7.972) 11.758 5.758 ( 1.299 -3.258 5.404) 6.442 5.855 ( -7.460 -0.076 -3.746) 8.348 5.926 ( -0.751 -0.283 7.590) 7.633 6.115 ( 1.588 -4.117 -7.476) 8.681 6.183 ( 5.526 -2.368 5.570) 8.196 6.306 ( -3.148 -1.760 -6.024) 7.021 6.428 ( -0.915 -2.422 3.714) 4.527 6.521 ( 1.758 -1.720 -3.555) 4.323 6.805 ( 7.700 2.745 -2.400) 8.520 6.833 ( -7.252 6.482 -3.575) 10.363 7.229 ( 1.098 -2.131 2.659) 3.580 7.326 ( -0.263 1.093 -6.742) 6.835 7.713 ( 4.252 -4.283 1.377) 6.190 7.733 ( -3.434 -3.627 -0.513) 5.021 8.141 ( -1.046 -5.872 1.298) 6.104 8.210 ( 2.089 -5.694 -5.039) 7.885 8.561 ( 2.522 6.874 -0.777) 7.363 8.576 ( -2.231 6.588 -2.761) 7.484 9.504 ( 0.222 7.355 9.924) 12.355 9.653 ( -2.450 7.001 -4.334) 8.591 9.830 ( -0.130 5.570 9.342) 10.878 10.062 ( 7.156 8.189 -11.206) 15.615 10.170 ( -4.612 0.218 0.862) 4.697 10.211 ( 0.544 1.941 -3.637) 4.158 10.556 ( -0.932 1.017 2.508) 2.862 10.608 ( 2.530 2.385 -2.445) 4.250 11.904 ( -0.088 -3.359 6.971) 7.739 12.020 ( -1.403 -4.666 -4.429) 6.584 12.235 ( 0.782 -1.005 7.002) 7.117 12.341 ( -2.320 -1.871 -3.409) 4.528 12.961 ( 4.515 -2.161 3.703) 6.227 13.025 ( -4.418 -3.971 -2.316) 6.375 13.329 ( 2.858 2.336 2.143) 4.268 13.344 ( -4.362 2.119 0.712) 4.902 13.753 ( 2.023 3.229 6.970) 7.944 13.907 ( -1.662 4.138 -7.735) 8.929 14.720 ( -0.201 -7.906 3.323) 8.578 14.805 ( -0.169 -5.126 -5.079) 7.218 18.679 ( -4.127 4.394 4.557) 7.557 18.770 ( 4.758 3.596 -4.362) 7.389 19.800 ( -7.598 -6.297 6.686) 11.920 19.915 ( 6.535 -5.567 -4.476) 9.681 21.281 ( -3.871 6.760 5.772) 9.696 21.435 ( 4.224 8.042 -9.183) 12.917 22.646 ( -11.477 -7.775 15.353) 20.686 22.981 ( 13.645 -8.978 -16.897) 23.501 23.638 ( -3.163 1.432 2.796) 4.458 23.693 ( 1.601 2.523 -2.683) 4.016 24.360 ( 1.505 -0.239 3.039) 3.400 24.433 ( 1.791 2.040 -4.202) 5.003 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.629 9.255 10.401) 15.876 2.212 ( -0.672 4.050 10.528) 11.300 2.399 ( -9.127 6.486 4.734) 12.156 2.625 ( -3.794 13.690 -7.826) 16.219 3.121 ( 5.023 -2.896 3.110) 6.580 3.254 ( 5.987 0.945 -0.291) 6.068 3.360 ( -1.956 -5.454 -3.950) 7.013 3.452 ( 1.238 -1.079 -2.832) 3.273 3.470 ( -6.574 -1.411 -1.907) 6.989 3.638 ( -2.565 -1.662 1.594) 3.448 3.883 ( 3.424 -0.569 4.382) 5.590 4.029 ( -0.616 6.164 -1.078) 6.288 4.069 ( -1.343 3.836 -1.013) 4.188 4.248 ( -2.359 1.544 -0.754) 2.919 4.393 ( -7.315 -1.574 10.333) 12.758 4.515 ( -16.929 1.153 2.211) 17.112 4.593 ( -15.207 -5.244 -2.800) 16.327 4.729 ( -11.894 1.356 3.665) 12.519 4.978 ( -6.248 6.653 1.792) 9.301 5.017 ( -3.413 -6.671 -6.186) 9.717 5.247 ( -0.208 4.400 0.049) 4.405 5.291 ( 0.205 -0.752 -5.193) 5.251 5.735 ( -6.448 -3.344 9.308) 11.807 5.811 ( 1.350 -4.554 -2.563) 5.397 5.860 ( -7.247 -2.858 5.260) 9.400 6.117 ( 3.227 -4.103 0.312) 5.229 6.276 ( 2.596 -1.760 -8.338) 8.909 6.355 ( 6.553 -2.435 2.748) 7.511 6.433 ( -1.626 -0.987 -1.352) 2.333 6.537 ( 3.167 -0.589 -4.197) 5.291 6.788 ( 5.209 1.132 -0.074) 5.331 7.021 ( 9.823 2.630 -0.514) 10.182 7.256 ( 1.963 0.066 0.614) 2.058 7.288 ( -0.848 2.315 -5.987) 6.475 7.689 ( -0.692 -3.892 -1.098) 4.103 7.824 ( 5.613 -5.313 0.718) 7.762 8.095 ( -3.643 -3.669 0.396) 5.186 8.209 ( -0.901 -6.023 -4.815) 7.763 8.506 ( -3.422 7.664 -2.095) 8.651 8.580 ( -0.606 5.832 -1.025) 5.952 9.514 ( -2.830 7.097 10.490) 12.978 9.597 ( -2.152 5.679 -2.595) 6.604 9.808 ( -2.565 6.917 2.074) 7.663 9.941 ( -9.089 3.818 -7.494) 12.383 10.203 ( 3.727 5.558 -4.505) 8.067 10.261 ( 1.728 1.081 0.426) 2.082 10.609 ( 5.842 0.944 0.372) 5.929 10.682 ( 5.615 1.586 -2.952) 6.539 11.938 ( 1.039 -3.494 8.032) 8.820 11.998 ( 0.439 -4.495 -3.748) 5.869 12.337 ( 2.925 -2.449 -0.988) 3.940 12.352 ( 8.528 -2.403 6.918) 11.241 12.887 ( -7.294 -3.801 -2.869) 8.711 13.057 ( 3.109 -1.739 3.600) 5.065 13.275 ( -2.792 1.100 1.731) 3.464 13.404 ( 4.145 3.640 2.825) 6.197 13.803 ( 0.464 2.219 2.128) 3.110 13.869 ( 0.537 4.512 -3.394) 5.672 14.624 ( -8.317 -7.229 0.513) 11.031 14.827 ( 0.901 -5.726 -0.976) 5.878 18.649 ( -0.123 6.034 3.416) 6.935 18.868 ( 6.438 4.325 -4.179) 8.810 19.682 ( -5.509 -3.250 5.437) 8.394 20.053 ( 7.635 -7.332 -1.600) 10.706 21.228 ( -3.273 4.603 5.012) 7.551 21.481 ( 3.541 9.027 -8.403) 12.831 22.374 ( -20.547 -5.942 12.119) 24.584 23.032 ( -3.435 -10.387 -16.921) 20.150 23.612 ( 0.339 3.295 2.900) 4.403 23.719 ( 1.287 0.843 -0.978) 1.823 24.288 ( -4.810 1.530 -1.989) 5.425 24.530 ( 5.215 -0.967 -4.578) 7.007 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -8.880 11.535 8.838) 17.030 2.162 ( -11.792 4.631 9.678) 15.943 2.282 ( -5.498 6.029 14.708) 16.819 2.491 ( -6.301 15.049 -8.669) 18.475 3.011 ( -23.135 2.008 2.301) 23.335 3.223 ( -0.558 -8.106 -6.541) 10.431 3.312 ( 3.073 0.252 -0.443) 3.115 3.409 ( -4.522 -2.974 0.364) 5.425 3.561 ( 6.043 0.976 -0.556) 6.146 3.602 ( 5.460 1.837 -2.625) 6.331 3.833 ( -15.545 -3.540 -3.573) 16.338 3.928 ( -4.364 -6.335 3.993) 8.667 4.034 ( -4.905 5.320 -4.385) 8.461 4.112 ( -7.956 8.445 1.900) 11.757 4.253 ( -17.185 -0.641 -5.074) 17.930 4.315 ( 2.733 0.598 -3.926) 4.821 4.431 ( -8.956 1.539 10.786) 14.104 4.483 ( -0.384 2.078 13.080) 13.250 4.866 ( -6.203 5.605 4.875) 9.678 4.991 ( -0.843 0.421 -6.867) 6.931 5.208 ( -2.605 -4.913 3.018) 6.327 5.326 ( 6.234 -1.557 -9.463) 11.438 5.632 ( -5.514 -0.918 7.289) 9.186 5.703 ( -6.658 2.333 3.407) 7.835 5.877 ( 2.173 -12.021 -0.926) 12.251 6.188 ( 2.535 -0.702 3.674) 4.519 6.277 ( -5.911 -2.869 -4.184) 7.790 6.336 ( 1.719 -2.503 -5.212) 6.032 6.439 ( 0.047 -4.816 -1.443) 5.028 6.624 ( 4.223 -2.189 -1.846) 5.103 6.922 ( 6.947 -1.004 0.874) 7.074 7.116 ( 0.941 2.082 0.186) 2.292 7.285 ( 2.276 0.293 -2.674) 3.524 7.326 ( 4.657 3.620 -2.645) 6.464 7.679 ( -0.875 -4.882 -0.187) 4.964 7.888 ( -0.462 -7.169 0.516) 7.202 8.025 ( -2.997 -1.532 0.819) 3.464 8.161 ( -1.374 -1.429 -5.074) 5.448 8.446 ( -2.194 7.272 -2.672) 8.052 8.539 ( -3.085 4.911 -1.374) 5.961 9.469 ( -4.492 6.374 9.189) 12.052 9.560 ( -0.886 4.039 -1.806) 4.512 9.750 ( -4.887 6.054 -4.901) 9.195 9.779 ( -4.646 7.304 -3.626) 9.386 10.210 ( -0.273 1.483 -3.364) 3.687 10.283 ( 0.207 5.654 -0.554) 5.684 10.737 ( 6.464 -0.410 -0.297) 6.484 10.782 ( 5.305 0.610 -2.743) 6.003 11.978 ( 0.524 -3.628 5.566) 6.664 12.016 ( 2.152 -3.012 -0.467) 3.731 12.385 ( 2.161 -3.807 0.003) 4.378 12.586 ( 7.083 -8.014 2.003) 10.882 12.772 ( 1.889 0.614 0.583) 2.070 13.139 ( 4.520 -6.344 6.671) 10.256 13.277 ( 3.750 2.717 0.151) 4.634 13.501 ( 4.813 4.269 2.936) 7.072 13.786 ( -0.202 2.434 -3.966) 4.657 13.900 ( 1.461 3.111 3.311) 4.772 14.425 ( -12.800 -5.622 0.068) 13.980 14.792 ( -5.216 -7.284 1.208) 9.040 18.698 ( 4.312 9.936 1.579) 10.946 18.965 ( 4.013 7.359 -2.420) 8.725 19.654 ( 2.089 -1.121 2.943) 3.780 20.166 ( 3.021 -6.527 3.117) 7.839 21.205 ( 0.239 1.126 2.687) 2.924 21.520 ( 3.281 8.438 -7.283) 11.619 21.990 ( -21.478 -4.357 7.524) 23.171 22.764 ( -18.565 -8.152 -14.695) 25.041 23.653 ( 2.422 2.689 1.076) 3.775 23.729 ( -0.115 0.167 0.226) 0.304 24.210 ( -2.058 1.134 -3.452) 4.176 24.555 ( -1.282 -2.180 -5.825) 6.350 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -15.091 11.048 3.947) 19.115 1.796 ( -26.666 7.791 5.235) 28.269 2.136 ( -11.424 14.252 16.910) 24.891 2.427 ( 2.057 11.079 -10.697) 15.537 2.755 ( -3.975 5.389 14.950) 16.381 3.183 ( -1.238 -6.768 -5.907) 9.068 3.240 ( -8.876 -5.838 2.985) 11.035 3.375 ( -0.305 -0.128 -7.749) 7.756 3.566 ( 0.367 -0.698 4.733) 4.799 3.625 ( -2.960 -3.108 -3.078) 5.282 3.729 ( -10.488 -4.878 -0.109) 11.567 3.782 ( -0.576 3.236 -6.312) 7.116 3.903 ( -7.168 5.308 -0.401) 8.928 3.970 ( -10.110 2.787 1.407) 10.581 4.066 ( 9.560 6.576 -1.597) 11.713 4.327 ( -0.654 2.852 0.759) 3.023 4.438 ( 3.545 -1.843 7.398) 8.408 4.639 ( 7.893 -0.891 10.298) 13.005 4.741 ( -8.408 5.135 7.992) 12.686 4.934 ( -1.962 4.602 -9.891) 11.085 5.149 ( -5.414 -6.451 6.491) 10.633 5.430 ( 5.698 -5.782 -13.716) 15.938 5.598 ( -2.236 2.430 4.127) 5.286 5.645 ( 3.051 -0.102 0.340) 3.072 5.898 ( 0.874 -9.417 -0.420) 9.467 6.116 ( -8.298 -3.991 -0.901) 9.252 6.245 ( 2.714 1.280 2.286) 3.772 6.358 ( -1.015 -0.432 0.133) 1.111 6.407 ( 0.241 -7.073 -3.822) 8.043 6.648 ( -1.293 -2.206 -3.771) 4.556 7.030 ( 4.115 -4.296 1.443) 6.121 7.124 ( 1.197 1.323 -1.625) 2.413 7.337 ( 3.090 -0.838 -2.301) 3.942 7.367 ( -0.233 3.860 -0.767) 3.942 7.643 ( -2.685 -6.941 2.099) 7.732 7.788 ( -7.975 -8.512 0.607) 11.680 8.022 ( 1.816 1.425 0.290) 2.327 8.143 ( 0.405 0.900 -4.906) 5.004 8.401 ( -1.221 7.533 -3.134) 8.250 8.462 ( -4.316 5.206 -1.330) 6.892 9.425 ( -2.411 6.617 7.442) 10.246 9.549 ( -0.946 3.194 2.179) 3.980 9.639 ( -3.739 6.925 -6.708) 10.341 9.694 ( -3.044 8.203 -4.881) 10.019 10.211 ( 1.615 1.896 -3.220) 4.071 10.259 ( -2.324 5.004 -0.282) 5.525 10.825 ( 2.397 -0.633 1.230) 2.768 10.862 ( 3.807 -0.266 -2.582) 4.608 11.996 ( -0.275 -2.630 4.838) 5.514 12.052 ( 1.265 -1.115 -0.276) 1.709 12.410 ( 0.310 -5.105 2.010) 5.496 12.528 ( -4.571 -5.354 -3.684) 7.946 12.975 ( 8.480 -1.513 3.027) 9.131 13.278 ( 4.606 -9.474 -0.309) 10.539 13.441 ( 14.403 0.695 1.415) 14.489 13.616 ( 7.477 0.278 5.438) 9.249 13.820 ( 4.074 4.054 -0.427) 5.763 13.946 ( 4.168 0.943 2.151) 4.784 14.149 ( -15.060 -3.977 1.025) 15.610 14.618 ( -13.654 -7.566 1.211) 15.656 18.813 ( 7.199 14.850 -0.936) 16.530 18.981 ( -1.986 11.127 0.263) 11.306 19.803 ( 13.039 -0.966 -1.158) 13.126 20.148 ( -7.054 -3.308 7.457) 10.785 21.283 ( 8.120 -3.335 -0.854) 8.820 21.571 ( 4.378 6.575 -5.298) 9.512 21.656 ( -14.236 -3.343 3.453) 15.025 22.276 ( -27.240 -3.878 -9.785) 29.203 23.695 ( 1.745 1.937 -0.102) 2.609 23.719 ( -0.943 0.220 0.947) 1.355 24.202 ( 2.409 0.116 -2.779) 3.680 24.447 ( -7.951 -1.700 -3.829) 8.987 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -4.977 18.085 10.481) 21.487 1.875 ( 4.753 15.811 -8.840) 18.727 2.410 ( -3.057 16.028 17.235) 23.734 2.718 ( 4.290 7.350 -8.264) 11.863 2.876 ( -2.038 -11.499 3.612) 12.225 2.933 ( -0.695 -1.633 1.072) 2.073 3.031 ( 3.605 -3.337 8.216) 9.572 3.277 ( -5.012 0.041 -9.763) 10.975 3.434 ( 0.437 -0.708 7.479) 7.525 3.598 ( -1.007 3.628 -7.774) 8.637 3.762 ( -0.004 7.364 5.326) 9.088 3.873 ( 1.817 5.457 -4.213) 7.129 3.922 ( -3.092 4.160 0.877) 5.257 3.937 ( -0.196 4.625 -0.717) 4.684 4.332 ( -5.747 2.393 5.797) 8.507 4.414 ( 3.780 7.044 -3.227) 8.621 4.558 ( 9.277 0.368 8.166) 12.365 4.640 ( -1.123 -5.060 10.319) 11.548 4.694 ( -6.313 3.688 -0.209) 7.315 4.842 ( -3.870 -8.356 5.025) 10.490 5.048 ( 2.432 0.058 -4.459) 5.079 5.316 ( 2.139 -5.660 -15.547) 16.683 5.582 ( -0.994 -5.559 1.168) 5.767 5.618 ( 2.977 -9.829 -3.763) 10.937 5.796 ( 0.221 -1.778 7.683) 7.889 5.962 ( -0.163 -0.725 -5.183) 5.236 6.167 ( -4.834 -3.368 1.049) 5.984 6.292 ( 5.975 -4.064 -6.610) 9.793 6.456 ( 4.928 -0.693 -1.388) 5.166 6.504 ( -2.982 -2.735 -3.344) 5.249 7.079 ( 4.893 2.072 1.633) 5.558 7.098 ( -4.216 0.414 -0.407) 4.256 7.319 ( -0.907 -2.412 1.892) 3.197 7.353 ( -2.023 -1.730 -0.819) 2.785 7.509 ( 1.945 -5.153 2.112) 5.899 7.562 ( 0.648 -5.525 -1.914) 5.883 8.138 ( 1.881 4.199 -1.311) 4.784 8.162 ( -1.012 2.907 -3.762) 4.861 8.448 ( -2.939 2.060 1.851) 4.038 8.508 ( 1.501 1.275 -3.785) 4.267 9.605 ( -1.019 8.039 7.878) 11.301 9.627 ( -4.968 7.051 10.061) 13.252 9.756 ( 0.762 8.105 -5.026) 9.567 9.836 ( 4.268 6.414 -8.562) 11.518 10.308 ( -4.603 7.233 -1.525) 8.708 10.347 ( 4.628 5.711 -4.354) 8.544 10.820 ( -1.360 -1.191 3.159) 3.639 10.877 ( -0.039 -1.439 -2.299) 2.713 11.962 ( -1.619 -1.329 5.224) 5.629 12.049 ( 2.571 -2.345 -3.138) 4.686 12.274 ( -0.297 -6.837 4.794) 8.355 12.334 ( -1.362 -6.699 -0.730) 6.875 13.036 ( 2.791 -2.511 5.563) 6.712 13.140 ( -2.265 -4.839 -3.702) 6.500 13.602 ( 4.153 -5.165 6.331) 9.165 13.697 ( -1.799 -4.352 -2.853) 5.506 13.884 ( -4.996 2.839 3.813) 6.896 13.961 ( 5.970 3.823 -2.696) 7.584 14.054 ( 0.116 -3.886 6.408) 7.495 14.219 ( -1.540 -6.263 -8.390) 10.583 19.202 ( -6.470 15.158 6.028) 17.549 19.348 ( 6.598 18.404 -8.225) 21.210 19.884 ( -6.904 -3.836 8.499) 11.603 20.078 ( 10.158 -3.526 -9.890) 14.609 21.332 ( -4.401 -3.761 0.767) 5.840 21.378 ( 8.038 -4.752 -3.681) 10.037 21.792 ( 0.131 2.526 1.036) 2.734 21.817 ( -7.419 1.664 -1.308) 7.715 23.727 ( -0.970 1.613 1.874) 2.656 23.751 ( 1.170 1.098 -0.451) 1.667 24.254 ( -2.111 -0.561 0.466) 2.234 24.268 ( 0.069 -0.776 -0.931) 1.214 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 14.328 14.969 7.192) 21.934 2.150 ( 22.245 14.174 -5.325) 26.909 2.451 ( 4.087 13.469 11.035) 17.886 2.752 ( 1.621 2.012 -8.971) 9.336 2.901 ( 2.023 -6.462 1.999) 7.061 2.969 ( 1.416 -6.662 3.978) 7.887 3.134 ( 4.479 8.949 8.499) 13.129 3.212 ( 2.283 -2.988 -5.082) 6.321 3.481 ( 3.650 1.041 3.485) 5.153 3.649 ( 6.144 1.215 -0.321) 6.272 3.762 ( -0.629 6.733 5.203) 8.533 3.832 ( 0.396 7.041 -5.237) 8.784 3.947 ( 0.088 1.254 3.606) 3.819 4.007 ( 5.798 1.368 -0.568) 5.984 4.238 ( -3.148 1.355 6.848) 7.658 4.337 ( -6.953 7.349 -2.165) 10.346 4.599 ( -1.276 3.034 -2.864) 4.363 4.654 ( 0.608 4.994 8.219) 9.637 4.762 ( 2.086 -5.654 3.245) 6.845 4.881 ( 8.497 -5.194 5.870) 11.560 5.099 ( 3.530 -3.605 -5.885) 7.752 5.290 ( 0.438 -1.572 -11.431) 11.547 5.560 ( -0.236 -7.484 2.237) 7.815 5.681 ( 3.971 -6.531 -6.411) 9.977 5.830 ( 2.118 -3.572 3.998) 5.764 5.964 ( 1.012 -4.288 -2.520) 5.076 6.081 ( -4.225 -2.933 2.171) 5.583 6.370 ( -0.436 -1.119 -3.229) 3.445 6.414 ( 3.002 -4.456 -11.219) 12.439 6.534 ( -0.081 -3.742 0.177) 3.747 7.038 ( -2.366 3.452 0.723) 4.248 7.188 ( 4.010 3.342 -1.430) 5.412 7.296 ( -0.976 0.386 1.001) 1.450 7.336 ( 0.168 -3.436 1.735) 3.853 7.586 ( 2.258 -3.736 -3.219) 5.423 7.593 ( 5.259 -8.072 1.015) 9.687 8.116 ( -1.217 2.731 -3.907) 4.920 8.169 ( 0.280 3.157 -1.395) 3.463 8.443 ( 2.046 3.140 2.991) 4.795 8.546 ( 3.226 0.945 -2.233) 4.036 9.579 ( -2.715 7.040 8.852) 11.631 9.619 ( 0.253 7.122 8.589) 11.161 9.781 ( 3.645 8.850 -5.054) 10.823 9.939 ( 8.129 7.195 -7.404) 13.140 10.217 ( -4.569 6.510 0.217) 7.957 10.421 ( 4.288 5.944 -4.630) 8.669 10.777 ( -4.129 -0.939 3.844) 5.719 10.832 ( -4.008 -1.681 -0.999) 4.460 11.919 ( -3.640 -1.544 3.680) 5.402 12.067 ( -0.348 -4.737 -3.710) 6.027 12.294 ( -0.314 -6.030 2.202) 6.427 12.331 ( 2.076 -5.180 3.516) 6.596 13.012 ( -8.635 -1.691 -3.207) 9.366 13.079 ( -0.422 -4.866 3.266) 5.875 13.481 ( -8.977 1.209 0.355) 9.065 13.678 ( -4.006 -1.478 -1.253) 4.450 13.855 ( -3.022 0.665 0.785) 3.192 13.964 ( -0.215 -0.864 3.510) 3.621 14.162 ( 12.010 0.452 -1.860) 12.162 14.367 ( 11.231 -12.353 -2.574) 16.893 19.068 ( -8.380 13.596 3.989) 16.462 19.326 ( -7.375 14.705 -2.908) 16.706 19.756 ( -5.336 -0.103 0.753) 5.390 20.144 ( -2.624 -8.075 -5.502) 10.118 21.301 ( 3.829 1.202 -5.470) 6.785 21.579 ( 4.147 0.433 0.274) 4.178 21.685 ( 9.375 -0.085 -2.212) 9.633 22.021 ( 13.495 -4.361 6.931) 15.785 23.715 ( -0.720 1.786 1.689) 2.561 23.777 ( 1.537 1.195 -1.205) 2.290 24.170 ( -2.642 2.441 1.934) 4.084 24.362 ( 5.227 -2.244 1.009) 5.777 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 9.123 8.196 1.718) 12.384 2.460 ( 9.286 16.503 2.975) 19.169 2.669 ( 10.606 6.766 -7.703) 14.752 2.712 ( -5.302 6.979 -0.112) 8.765 2.874 ( 7.406 -10.142 3.222) 12.965 3.121 ( 4.067 -2.562 12.016) 12.942 3.207 ( 1.487 1.570 -5.642) 6.042 3.297 ( 6.733 5.688 5.525) 10.402 3.628 ( 6.952 -5.148 2.557) 9.021 3.656 ( -3.789 7.276 0.564) 8.223 3.786 ( -0.814 7.408 -5.122) 9.043 3.860 ( 5.908 2.852 7.907) 10.275 4.056 ( 8.596 -1.939 6.578) 10.997 4.106 ( 4.820 0.599 0.849) 4.931 4.200 ( -1.386 2.912 8.303) 8.908 4.348 ( 8.652 5.768 -4.393) 11.289 4.629 ( 4.672 3.704 1.299) 6.102 4.724 ( 3.530 0.054 -6.530) 7.423 4.779 ( 3.405 0.512 3.963) 5.250 5.024 ( 3.851 -5.688 3.399) 7.664 5.142 ( 3.633 -2.107 -7.815) 8.872 5.291 ( 2.408 -0.355 -4.302) 4.943 5.605 ( 3.925 -4.789 2.302) 6.606 5.733 ( 3.651 -5.238 -6.584) 9.171 5.867 ( 1.111 -0.968 -6.053) 6.230 5.980 ( -1.475 -11.140 6.120) 12.795 6.064 ( 3.776 -4.707 3.608) 7.031 6.307 ( -4.749 0.505 -2.869) 5.571 6.405 ( 1.165 -6.546 -6.750) 9.475 6.564 ( 2.122 -2.519 -4.440) 5.529 6.965 ( -6.379 5.446 1.682) 8.554 7.182 ( -2.296 1.510 1.979) 3.386 7.282 ( -4.349 -2.822 1.338) 5.354 7.340 ( 1.336 2.014 -7.331) 7.719 7.614 ( 0.712 -1.485 -0.252) 1.666 7.683 ( 3.030 -9.721 -0.031) 10.182 8.095 ( 0.594 1.434 -4.470) 4.732 8.146 ( -1.814 2.788 -0.416) 3.352 8.527 ( 4.833 4.230 2.025) 6.735 8.612 ( 4.171 1.484 -1.160) 4.577 9.582 ( 0.140 7.500 8.585) 11.400 9.688 ( 4.363 5.808 8.737) 11.362 9.859 ( 5.699 9.070 -5.066) 11.849 10.056 ( 4.741 12.176 -8.019) 15.331 10.154 ( -1.095 0.977 3.801) 4.074 10.459 ( 0.659 5.159 -6.755) 8.525 10.703 ( -3.904 0.095 2.216) 4.490 10.733 ( -6.007 -0.699 2.029) 6.379 11.863 ( -3.058 -2.484 3.085) 5.003 12.019 ( -2.842 -6.348 -3.997) 8.022 12.265 ( -2.741 -3.971 2.643) 5.502 12.403 ( 1.792 -7.010 2.405) 7.625 12.834 ( -6.734 1.220 -2.080) 7.152 13.054 ( -1.995 -6.492 0.147) 6.793 13.370 ( -3.299 6.433 1.208) 7.330 13.591 ( -4.745 0.737 -0.531) 4.832 13.774 ( -2.886 2.852 3.511) 5.366 14.029 ( 3.289 1.663 -2.051) 4.217 14.360 ( 8.659 -3.827 0.296) 9.472 14.537 ( 6.974 -14.419 -2.797) 16.260 18.932 ( -6.182 10.515 0.736) 12.220 19.115 ( -12.445 9.798 1.593) 15.919 19.689 ( -1.888 -1.011 -1.969) 2.909 20.000 ( -9.648 -9.311 -0.028) 13.408 21.403 ( 8.254 5.634 -8.976) 13.433 21.565 ( -2.234 8.953 6.684) 11.394 22.055 ( 24.609 -8.201 -11.587) 28.409 22.295 ( 10.791 -9.717 11.370) 18.443 23.710 ( -0.446 2.072 1.714) 2.726 23.791 ( 0.380 2.249 -2.503) 3.386 24.178 ( 2.401 3.496 3.556) 5.534 24.447 ( 3.029 -2.437 0.971) 4.007 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 4.225 4.631 -1.803) 6.523 2.480 ( -11.280 5.523 -1.082) 12.606 2.617 ( 6.982 11.378 2.157) 13.523 2.858 ( 4.579 7.936 0.538) 9.177 3.015 ( 1.037 -0.719 2.870) 3.135 3.201 ( 6.616 -1.841 4.715) 8.330 3.240 ( 2.715 -2.347 2.617) 4.442 3.414 ( -1.644 5.955 2.389) 6.623 3.502 ( -2.876 9.774 0.761) 10.217 3.624 ( -6.093 -3.850 0.422) 7.220 3.908 ( 5.078 0.204 3.276) 6.046 4.026 ( 10.822 5.692 3.586) 12.743 4.177 ( 4.625 3.386 -2.627) 6.305 4.185 ( 0.790 1.911 7.182) 7.474 4.285 ( 4.587 -4.752 9.917) 11.915 4.556 ( 11.450 1.310 -4.980) 12.555 4.716 ( 0.636 -4.012 -9.047) 9.917 4.754 ( 3.182 -2.943 1.794) 4.691 4.877 ( 6.205 3.624 0.254) 7.190 5.158 ( 8.805 -0.826 3.269) 9.428 5.196 ( 4.886 1.083 -6.535) 8.231 5.331 ( 1.530 -1.075 -2.443) 3.076 5.664 ( 0.141 -1.130 -0.497) 1.243 5.789 ( 5.228 -4.680 -3.125) 7.682 5.856 ( -2.169 -7.488 -2.101) 8.074 5.960 ( 1.130 -6.899 -0.738) 7.030 6.155 ( 0.636 -2.926 2.768) 4.078 6.266 ( 2.754 -0.942 3.859) 4.833 6.447 ( 4.477 -4.089 -5.937) 8.486 6.530 ( -4.112 1.608 -3.802) 5.827 6.821 ( -6.870 3.682 0.139) 7.796 7.102 ( -9.918 0.274 -2.219) 10.167 7.186 ( -1.553 -1.153 4.415) 4.820 7.336 ( 0.727 -0.561 -7.876) 7.930 7.600 ( -1.742 -1.463 1.171) 2.559 7.685 ( -2.158 -8.308 -1.761) 8.762 8.102 ( -0.033 1.364 -0.438) 1.433 8.129 ( 1.523 0.281 -3.606) 3.925 8.616 ( 3.891 4.691 1.143) 6.201 8.680 ( 2.620 2.633 -1.024) 3.853 9.630 ( 1.753 8.418 9.003) 12.449 9.826 ( 5.926 4.378 11.404) 13.577 9.909 ( -0.339 10.195 -6.404) 12.044 10.099 ( 5.676 8.709 -3.042) 10.831 10.200 ( 2.098 1.739 0.457) 2.763 10.386 ( -5.029 2.893 -9.263) 10.931 10.637 ( -4.370 1.676 3.520) 5.857 10.664 ( -0.544 2.791 -1.163) 3.072 11.828 ( -1.638 -3.162 3.442) 4.953 11.953 ( -2.580 -6.224 -3.890) 7.780 12.220 ( -2.750 -2.098 4.170) 5.418 12.361 ( -4.773 -5.664 -1.868) 7.639 12.817 ( 4.118 0.588 0.996) 4.277 13.012 ( -2.856 -5.140 0.455) 5.898 13.346 ( 0.318 4.606 0.416) 4.636 13.487 ( -5.800 1.122 -0.224) 5.911 13.784 ( 1.514 4.955 7.121) 8.806 14.052 ( 0.496 4.496 -5.922) 7.452 14.485 ( 3.618 -8.466 3.786) 9.955 14.619 ( 3.435 -11.386 -5.425) 13.072 18.852 ( -1.814 7.211 -1.578) 7.601 18.912 ( -8.853 7.186 2.696) 11.717 19.672 ( 0.383 -5.101 -0.112) 5.116 19.824 ( -8.113 -8.764 0.807) 11.970 21.527 ( 2.118 10.619 0.041) 10.828 21.547 ( 2.921 9.954 -2.375) 10.642 22.459 ( 14.251 -12.557 -4.700) 19.567 22.461 ( 8.342 -11.852 3.598) 14.934 23.706 ( -0.675 2.730 2.253) 3.603 23.779 ( -0.469 3.566 -3.314) 4.891 24.267 ( 5.092 2.319 4.119) 6.948 24.474 ( -0.176 -1.438 -0.896) 1.703 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.831 7.020 2.619) 7.539 2.294 ( -4.336 5.171 0.466) 6.764 2.718 ( -2.998 8.354 6.261) 10.861 2.827 ( 1.650 3.757 -2.979) 5.071 3.139 ( 8.659 2.709 5.043) 10.380 3.203 ( -7.680 7.426 -1.034) 10.733 3.286 ( -2.152 -1.367 5.371) 5.945 3.386 ( 6.550 0.241 -4.125) 7.744 3.501 ( -4.994 1.769 4.396) 6.884 3.572 ( 3.414 -0.536 -3.359) 4.819 3.971 ( -0.403 5.547 10.674) 12.036 4.147 ( 2.611 6.371 -3.723) 7.828 4.189 ( -2.975 1.874 4.283) 5.541 4.261 ( 3.598 1.461 -1.092) 4.033 4.365 ( 0.344 -5.553 8.336) 10.023 4.628 ( -0.040 -4.890 -9.195) 10.414 4.681 ( -7.006 -5.779 -0.494) 9.095 4.759 ( 5.139 -3.214 -3.951) 7.235 5.008 ( -3.877 2.783 8.718) 9.939 5.213 ( 1.435 -0.182 -7.549) 7.686 5.296 ( 2.181 3.124 -0.513) 3.844 5.322 ( 0.682 1.332 -3.024) 3.374 5.660 ( -2.392 -5.075 4.010) 6.896 5.751 ( -5.365 -5.810 -3.474) 8.638 5.873 ( 1.615 -4.191 3.211) 5.520 5.980 ( -0.442 -8.326 -4.463) 9.457 6.225 ( 6.857 4.132 4.543) 9.205 6.288 ( -3.336 -1.397 -0.337) 3.633 6.435 ( -2.190 2.489 -1.280) 3.554 6.484 ( 0.812 -1.157 -3.129) 3.433 6.831 ( 5.117 -0.206 0.291) 5.129 6.902 ( -4.217 -0.468 -5.111) 6.643 7.201 ( 0.942 -0.092 3.835) 3.950 7.324 ( 0.618 -1.222 -7.944) 8.061 7.579 ( -1.214 -5.972 3.166) 6.868 7.644 ( 0.484 -4.706 -3.235) 5.731 8.094 ( -0.790 0.897 0.687) 1.379 8.155 ( 2.008 -0.512 -5.118) 5.521 8.675 ( 1.612 4.140 0.714) 4.500 8.690 ( -1.214 3.979 -1.052) 4.291 9.690 ( 0.858 9.508 10.162) 13.943 9.835 ( -4.244 9.489 -1.277) 10.473 9.954 ( 2.507 4.757 10.121) 11.461 10.164 ( -6.139 -0.479 0.141) 6.159 10.229 ( 5.754 5.233 -4.859) 9.171 10.282 ( 0.406 5.455 -10.577) 11.908 10.609 ( 0.908 4.022 1.426) 4.363 10.671 ( 2.250 3.300 -4.241) 5.826 11.823 ( -0.229 -3.689 4.717) 5.992 11.902 ( -1.524 -5.808 -2.993) 6.709 12.207 ( 0.309 -1.644 5.363) 5.618 12.284 ( -1.943 -3.524 -2.230) 4.601 12.916 ( 2.519 -1.887 2.232) 3.858 12.944 ( -2.314 -3.229 -0.487) 4.002 13.378 ( 2.000 2.036 1.327) 3.148 13.385 ( -3.936 1.598 0.642) 4.296 13.847 ( 1.918 5.699 8.385) 10.318 14.021 ( -1.027 6.234 -8.351) 10.472 14.514 ( -2.196 -10.812 6.067) 12.591 14.652 ( 2.308 -8.973 -7.346) 11.823 18.801 ( -3.103 6.772 3.170) 8.096 18.869 ( 3.889 5.302 -3.447) 7.424 19.655 ( -4.604 -6.794 6.297) 10.345 19.761 ( 3.569 -8.427 -4.100) 10.028 21.475 ( -5.525 11.176 7.170) 14.382 21.649 ( 6.174 11.699 -9.792) 16.458 22.429 ( -9.317 -12.096 12.964) 20.030 22.720 ( 10.616 -15.071 -15.165) 23.871 23.698 ( -0.933 4.016 3.279) 5.268 23.762 ( -0.044 3.616 -3.091) 4.758 24.363 ( 1.783 0.419 4.299) 4.673 24.452 ( 0.297 -0.393 -4.421) 4.448 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -4.172 8.627 2.545) 9.915 2.352 ( 2.040 8.442 9.683) 13.008 2.578 ( -9.387 8.620 4.952) 13.673 2.905 ( 0.641 6.423 -2.494) 6.920 3.058 ( -3.543 0.575 -0.664) 3.650 3.219 ( -5.529 -4.784 0.547) 7.332 3.301 ( 3.410 1.248 -1.279) 3.850 3.410 ( -4.805 -1.194 5.313) 7.263 3.509 ( 9.017 6.258 -5.594) 12.319 3.638 ( 2.561 -1.158 0.900) 2.951 3.877 ( -12.263 3.052 2.954) 12.978 4.091 ( -6.673 2.839 4.736) 8.661 4.191 ( 1.862 3.121 -1.419) 3.902 4.315 ( 3.434 4.751 -5.454) 8.007 4.361 ( -1.896 -2.249 10.262) 10.676 4.484 ( -13.724 -3.488 0.138) 14.161 4.539 ( -8.631 0.206 -5.873) 10.442 4.801 ( -13.885 5.212 6.881) 16.350 4.857 ( 5.063 -6.734 -3.741) 9.218 5.106 ( -9.385 4.440 0.607) 10.400 5.281 ( -5.373 0.762 -6.696) 8.619 5.310 ( -1.922 -2.205 -1.711) 3.389 5.592 ( -2.726 -6.274 7.993) 10.521 5.691 ( -1.711 -3.571 0.236) 3.967 5.847 ( -6.172 -2.351 0.842) 6.658 5.969 ( 3.878 -9.007 0.102) 9.807 6.225 ( -0.981 -3.835 -3.635) 5.374 6.330 ( 0.373 -0.128 -0.225) 0.454 6.393 ( -3.356 -2.367 -2.198) 4.658 6.506 ( 2.288 -1.225 -1.399) 2.948 6.850 ( 6.343 3.872 -2.309) 7.782 7.053 ( 9.212 -0.066 2.821) 9.635 7.236 ( 2.204 -0.576 -1.160) 2.556 7.312 ( 0.586 -0.762 -6.112) 6.187 7.586 ( 1.130 -5.407 2.378) 6.014 7.683 ( 2.697 -6.288 -1.170) 6.941 8.072 ( -1.380 1.719 -0.260) 2.220 8.172 ( 1.574 0.607 -5.048) 5.323 8.639 ( -3.145 4.860 -1.272) 5.927 8.673 ( -2.044 3.177 0.034) 3.778 9.701 ( -3.193 9.736 8.777) 13.491 9.758 ( -3.928 8.971 2.048) 10.005 9.965 ( -3.076 6.620 3.401) 8.053 10.023 ( -6.267 3.052 -1.818) 7.204 10.257 ( 0.325 1.586 -3.382) 3.750 10.340 ( 5.553 3.599 -6.063) 8.975 10.668 ( 4.406 4.786 -2.136) 6.847 10.725 ( 4.622 2.251 -4.576) 6.883 11.849 ( 1.208 -4.363 6.101) 7.597 11.883 ( 0.609 -5.680 -1.907) 6.023 12.268 ( 1.582 -3.884 1.036) 4.320 12.276 ( 3.635 -4.402 4.735) 7.417 12.836 ( -4.772 -0.562 -0.724) 4.859 12.997 ( 1.773 -3.625 1.679) 4.371 13.330 ( -0.909 3.567 1.883) 4.134 13.455 ( 4.501 1.083 2.546) 5.284 13.882 ( -0.840 5.068 3.615) 6.282 13.983 ( -0.016 6.177 -5.166) 8.052 14.447 ( -6.573 -8.903 5.299) 12.270 14.652 ( -0.425 -10.331 -6.310) 12.113 18.814 ( 3.769 9.003 1.741) 9.915 18.980 ( 8.530 5.697 -3.360) 10.794 19.602 ( -2.060 -3.844 5.620) 7.114 19.864 ( 7.143 -9.969 -2.080) 12.439 21.374 ( -6.936 9.121 6.196) 13.026 21.708 ( 3.192 11.551 -9.322) 15.183 22.202 ( -17.586 -9.532 10.711) 22.690 22.751 ( -2.559 -15.563 -14.758) 21.600 23.699 ( 0.120 4.591 3.101) 5.541 23.757 ( 0.030 2.526 -1.452) 2.913 24.323 ( -4.249 1.664 -0.924) 4.656 24.490 ( 2.455 -2.882 -2.732) 4.669 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -3.296 12.223 -0.277) 12.662 2.343 ( -12.003 11.820 14.911) 22.497 2.437 ( -5.231 8.986 8.193) 13.237 2.822 ( -4.209 10.798 -5.123) 12.671 2.990 ( -8.809 -7.081 -5.876) 12.739 3.066 ( -6.980 -2.988 5.264) 9.239 3.237 ( -7.254 -6.450 0.389) 9.715 3.400 ( 1.560 4.184 -3.348) 5.581 3.599 ( -8.711 -8.529 3.375) 12.650 3.683 ( -2.898 8.224 1.651) 8.875 3.716 ( 10.011 6.121 -1.923) 11.890 3.951 ( -9.028 4.108 0.257) 9.922 4.132 ( -5.971 2.801 -4.164) 7.800 4.212 ( -12.724 -0.360 -2.931) 13.062 4.298 ( -9.980 4.445 -0.924) 10.964 4.375 ( 3.324 5.425 -5.664) 8.518 4.424 ( 1.968 -1.417 16.050) 16.233 4.552 ( -11.165 5.674 7.393) 14.543 4.929 ( 3.110 -5.784 -4.142) 7.764 4.993 ( -5.163 3.905 3.326) 7.278 5.121 ( -6.717 -2.148 -1.706) 7.256 5.274 ( 0.582 -5.223 -6.521) 8.375 5.566 ( -2.270 -5.794 6.126) 8.733 5.672 ( -2.114 -5.262 -2.475) 6.188 5.747 ( -2.819 1.503 5.052) 5.978 6.073 ( 4.296 -8.599 -1.636) 9.751 6.191 ( -2.674 -5.937 -5.678) 8.640 6.267 ( -1.070 -3.675 0.441) 3.853 6.355 ( -0.988 -2.022 -3.175) 3.891 6.531 ( 0.848 -5.189 -1.042) 5.360 6.988 ( 6.003 5.616 -0.689) 8.249 7.177 ( 1.639 2.663 5.434) 6.270 7.265 ( 1.661 -0.608 -3.850) 4.237 7.331 ( 3.404 -2.649 -3.044) 5.279 7.598 ( -1.626 -3.339 1.033) 3.855 7.682 ( -3.195 -9.634 0.463) 10.161 8.062 ( 0.986 3.981 -1.309) 4.305 8.187 ( 1.450 2.094 -4.290) 4.989 8.575 ( -2.891 4.407 -2.440) 5.808 8.607 ( -4.264 2.003 -0.585) 4.747 9.645 ( -4.309 9.243 6.979) 12.357 9.698 ( -2.690 8.868 2.625) 9.631 9.882 ( -4.671 5.873 -4.764) 8.889 9.933 ( -4.336 5.612 2.636) 7.566 10.249 ( 1.048 3.056 -4.780) 5.770 10.411 ( 2.327 4.546 -3.344) 6.104 10.743 ( 4.232 1.530 -2.379) 5.090 10.797 ( 3.960 0.805 -3.524) 5.362 11.892 ( 1.693 -4.133 2.939) 5.347 11.928 ( 3.784 -4.913 2.123) 6.555 12.279 ( 0.019 -5.635 1.096) 5.740 12.385 ( 2.755 -9.784 4.952) 11.307 12.801 ( 3.149 2.054 0.876) 3.861 13.016 ( 0.189 -4.955 3.542) 6.094 13.372 ( 4.624 5.243 0.948) 7.055 13.554 ( 4.490 1.010 2.762) 5.368 13.857 ( -0.421 4.124 -3.069) 5.158 13.978 ( -0.633 4.008 1.230) 4.240 14.301 ( -10.270 -5.515 4.682) 12.562 14.582 ( -5.306 -11.744 -5.502) 14.012 18.951 ( 10.159 12.988 -1.210) 16.533 19.148 ( 8.913 9.044 -1.369) 12.772 19.624 ( 3.234 -1.481 4.281) 5.566 19.991 ( 5.587 -9.661 0.635) 11.179 21.269 ( -4.998 5.155 4.157) 8.296 21.712 ( -0.548 7.055 -7.175) 10.078 21.873 ( -17.742 -4.322 5.958) 19.208 22.544 ( -14.110 -12.180 -12.665) 22.535 23.716 ( 0.613 2.955 1.454) 3.350 23.752 ( -0.342 2.011 0.693) 2.155 24.243 ( -2.977 2.079 -2.553) 4.439 24.486 ( -2.199 -4.307 -2.889) 5.633 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -17.947 15.825 3.040) 24.120 2.024 ( -16.505 13.447 0.404) 21.293 2.413 ( -2.332 10.675 15.642) 19.080 2.728 ( -3.298 14.150 -6.122) 15.766 2.872 ( -2.768 1.393 9.164) 9.674 2.983 ( -0.760 -11.789 -4.463) 12.628 3.074 ( -10.080 -7.706 3.833) 13.254 3.384 ( -1.742 3.216 -8.530) 9.281 3.449 ( -5.390 -7.475 3.215) 9.760 3.681 ( -0.637 8.580 1.747) 8.779 3.733 ( -4.593 3.986 0.106) 6.082 3.886 ( -1.672 5.824 -4.684) 7.659 4.004 ( -5.926 1.558 -0.759) 6.174 4.023 ( -3.926 5.255 -3.442) 7.408 4.218 ( 4.961 5.574 1.060) 7.537 4.411 ( -1.086 4.649 2.276) 5.289 4.453 ( 1.174 3.455 10.494) 11.110 4.569 ( 4.636 -4.495 9.265) 11.293 4.853 ( -9.568 4.536 1.563) 10.704 4.921 ( -3.549 -9.193 0.934) 9.899 5.054 ( -1.309 0.863 -1.215) 1.984 5.294 ( 4.411 -7.376 -14.960) 17.253 5.571 ( 0.663 -7.833 1.367) 7.979 5.614 ( -1.168 -4.731 -0.689) 4.921 5.760 ( 0.887 0.791 6.338) 6.449 6.023 ( -4.550 -3.831 -4.029) 7.184 6.215 ( 4.606 -6.663 -6.993) 10.701 6.249 ( -3.299 -3.883 3.592) 6.235 6.348 ( 2.822 -0.408 -2.130) 3.560 6.554 ( 1.115 -5.634 -1.991) 6.079 7.034 ( -0.140 3.823 0.757) 3.899 7.165 ( -2.287 2.185 0.854) 3.277 7.304 ( 2.205 -1.866 -0.158) 2.893 7.377 ( 0.978 -2.013 -1.504) 2.697 7.530 ( -4.278 -4.039 1.091) 5.984 7.599 ( -4.299 -8.323 0.898) 9.411 8.095 ( 2.579 4.560 -1.605) 5.479 8.190 ( -0.125 2.872 -3.601) 4.608 8.518 ( -2.702 3.075 -2.047) 4.577 8.523 ( -3.270 1.094 -1.908) 3.941 9.606 ( -1.857 8.845 6.745) 11.278 9.673 ( -2.037 8.730 6.031) 10.804 9.788 ( -2.996 6.014 -4.883) 8.306 9.853 ( -3.284 5.757 -3.201) 7.360 10.280 ( 3.605 5.006 -4.761) 7.792 10.392 ( -2.934 6.677 -2.766) 7.800 10.806 ( 2.219 -1.059 0.473) 2.504 10.854 ( 2.912 -0.522 -2.593) 3.934 11.938 ( 1.926 -2.556 3.471) 4.721 12.005 ( 3.073 -3.160 0.794) 4.478 12.275 ( -0.887 -6.793 2.949) 7.458 12.377 ( -2.667 -8.446 0.047) 8.857 12.944 ( 6.687 -1.176 3.260) 7.532 13.076 ( 5.913 -7.799 4.889) 10.940 13.478 ( 5.372 2.554 -0.646) 5.983 13.640 ( 4.906 0.970 2.424) 5.557 13.887 ( 3.305 2.161 -2.212) 4.526 13.966 ( 0.339 0.933 2.546) 2.733 14.095 ( -12.213 -0.884 4.007) 12.884 14.413 ( -10.333 -10.589 -5.725) 15.863 19.164 ( 11.943 16.731 -4.739) 21.095 19.257 ( 1.476 13.932 2.599) 14.249 19.772 ( 11.113 -2.042 1.266) 11.370 20.044 ( -1.101 -6.648 2.446) 7.169 21.244 ( 2.397 -0.134 0.561) 2.465 21.534 ( -13.342 -6.552 2.302) 15.041 21.737 ( 0.803 7.586 -4.846) 9.037 22.173 ( -20.044 -5.718 -7.841) 22.270 23.728 ( 0.391 1.308 0.425) 1.430 23.747 ( -0.623 1.971 1.549) 2.583 24.213 ( 0.790 1.030 -1.969) 2.358 24.393 ( -6.288 -3.361 -2.111) 7.436 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -3.490 18.969 7.153) 20.572 2.210 ( 2.569 14.056 -5.865) 15.445 2.530 ( -3.772 -13.232 5.520) 14.825 2.615 ( 2.104 -13.658 -2.178) 13.990 2.701 ( 0.027 8.041 11.359) 13.917 2.855 ( 1.428 -5.140 0.610) 5.369 3.093 ( 2.574 5.269 0.065) 5.864 3.206 ( -1.329 -5.320 -6.252) 8.316 3.597 ( -0.385 11.078 5.008) 12.164 3.706 ( -1.868 2.297 -4.819) 5.656 3.896 ( -0.986 4.136 2.386) 4.876 3.933 ( 2.195 0.404 -0.375) 2.263 4.031 ( -1.792 7.960 2.125) 8.432 4.092 ( -2.757 7.575 -4.742) 9.352 4.304 ( -4.150 -4.732 5.479) 8.345 4.392 ( 1.009 -9.247 -4.672) 10.410 4.559 ( 3.579 1.056 14.375) 14.852 4.633 ( 1.271 -0.642 20.832) 20.880 4.694 ( -0.654 4.286 0.469) 4.361 4.851 ( -4.031 3.813 2.386) 6.040 5.002 ( 0.934 -0.772 -11.772) 11.834 5.193 ( 3.319 -8.769 -19.078) 21.257 5.384 ( -0.531 -6.023 0.510) 6.068 5.421 ( 3.565 -7.109 -3.770) 8.802 5.844 ( -3.601 3.965 8.581) 10.115 5.922 ( -3.725 -3.248 4.470) 6.664 6.162 ( 3.015 2.141 -9.844) 10.516 6.217 ( 6.590 -2.971 -11.180) 13.313 6.448 ( -0.519 0.291 0.251) 0.646 6.467 ( 0.286 -1.193 -0.798) 1.463 7.115 ( -1.580 0.611 0.327) 1.725 7.120 ( 4.411 0.611 -0.155) 4.456 7.289 ( -1.675 0.611 1.830) 2.555 7.317 ( -1.133 -1.314 -0.294) 1.760 7.430 ( 0.300 -1.736 0.805) 1.937 7.461 ( 1.550 -3.935 -1.325) 4.432 8.212 ( 1.030 2.272 -1.396) 2.859 8.218 ( -1.087 1.741 -2.137) 2.963 8.472 ( -1.498 0.865 0.015) 1.730 8.498 ( 0.184 -1.461 -2.452) 2.860 9.723 ( -2.685 3.691 8.917) 10.017 9.744 ( -4.614 2.319 7.610) 9.197 9.888 ( 2.013 4.155 -2.579) 5.289 9.918 ( 2.929 1.329 -4.610) 5.621 10.458 ( 0.483 5.086 -3.864) 6.405 10.467 ( 1.957 4.487 -4.643) 6.747 10.797 ( -1.237 -0.356 1.717) 2.146 10.830 ( -1.113 -2.824 -1.508) 3.389 11.948 ( -0.726 0.451 2.319) 2.471 11.988 ( 0.790 -3.040 -1.551) 3.503 12.178 ( 0.470 -1.642 4.972) 5.257 12.210 ( 0.139 -4.405 1.989) 4.835 13.009 ( 1.740 0.163 4.114) 4.469 13.047 ( 1.051 -3.417 1.187) 3.767 13.548 ( 0.302 0.164 1.292) 1.337 13.599 ( -2.664 -4.206 -2.924) 5.773 13.943 ( -3.231 2.638 4.796) 6.356 13.991 ( -1.791 -1.919 5.692) 6.268 14.045 ( 3.826 3.278 -5.055) 7.137 14.118 ( 1.016 -3.779 -6.494) 7.582 19.490 ( -6.693 11.636 8.540) 15.910 19.624 ( -0.301 3.488 0.185) 3.506 19.824 ( 1.542 2.057 -1.466) 2.960 19.967 ( 7.497 -7.152 -10.560) 14.794 21.282 ( 0.220 -0.861 -0.996) 1.335 21.299 ( 4.804 -2.472 -2.681) 6.031 21.830 ( -2.819 1.093 0.363) 3.045 21.838 ( -4.428 0.303 -0.399) 4.456 23.757 ( -0.402 1.071 1.571) 1.944 23.766 ( 0.315 0.245 0.713) 0.817 24.245 ( -0.272 -0.107 -0.146) 0.327 24.252 ( -0.545 -0.675 -0.756) 1.151 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 7.996 16.924 6.553) 19.831 2.435 ( 20.247 9.951 -3.792) 22.877 2.527 ( 0.960 -9.663 3.870) 10.454 2.700 ( 6.627 -3.243 4.048) 8.415 2.802 ( 7.426 -0.942 3.692) 8.347 2.870 ( 0.919 -1.234 -3.572) 3.889 3.159 ( -1.113 -1.653 -7.180) 7.451 3.177 ( 5.611 -2.695 2.352) 6.655 3.660 ( 2.881 10.828 3.524) 11.746 3.727 ( 5.875 3.494 1.091) 6.922 3.892 ( -1.225 4.827 4.742) 6.877 3.950 ( -1.423 0.901 4.651) 4.947 4.004 ( -0.207 4.562 -5.287) 6.986 4.037 ( 0.177 1.055 3.379) 3.544 4.248 ( -1.494 1.249 7.819) 8.058 4.349 ( -4.501 -5.168 -0.581) 6.878 4.647 ( 0.486 -1.479 3.465) 3.799 4.718 ( 3.120 -4.514 5.693) 7.907 4.782 ( 6.816 7.455 9.131) 13.616 4.823 ( 0.585 8.627 -0.876) 8.691 5.009 ( 4.883 -3.535 -9.456) 11.214 5.167 ( 0.117 -12.304 -12.085) 17.247 5.430 ( 5.375 -0.967 -2.417) 5.972 5.505 ( 5.766 -7.943 -4.717) 10.890 5.805 ( -2.056 1.242 7.688) 8.054 5.863 ( -3.328 -4.191 4.103) 6.744 6.149 ( -2.614 6.631 -8.563) 11.141 6.292 ( 1.304 -6.440 -11.134) 12.929 6.377 ( -0.569 1.696 -2.255) 2.878 6.445 ( -1.129 -4.303 -1.355) 4.650 7.155 ( 2.478 6.421 0.185) 6.885 7.233 ( 1.563 0.841 -1.118) 2.098 7.257 ( -1.558 -2.460 2.064) 3.569 7.301 ( 2.078 -2.339 0.291) 3.142 7.472 ( 3.964 -1.502 -0.363) 4.255 7.513 ( 4.641 -3.413 -3.367) 6.672 8.180 ( -1.977 2.714 -1.993) 3.905 8.209 ( -1.102 0.296 -0.847) 1.421 8.491 ( 3.378 1.926 1.359) 4.119 8.532 ( 3.567 -1.742 -0.708) 4.032 9.702 ( -1.910 3.968 8.828) 9.866 9.723 ( -0.670 2.178 8.717) 9.010 9.934 ( 4.031 5.335 -2.637) 7.188 9.998 ( 6.056 -0.672 -2.699) 6.664 10.414 ( -2.118 9.467 -5.924) 11.367 10.511 ( 2.566 1.104 -6.071) 6.683 10.758 ( -3.379 -0.534 2.969) 4.530 10.781 ( -3.672 -2.722 1.258) 4.741 11.905 ( -3.688 0.705 1.449) 4.025 11.961 ( -2.761 -4.529 -1.212) 5.441 12.210 ( 0.829 -1.451 1.782) 2.443 12.235 ( 1.849 -3.490 2.152) 4.498 12.984 ( -5.717 -0.414 -1.223) 5.862 13.004 ( -3.138 -2.250 0.066) 3.862 13.528 ( -0.982 3.481 1.301) 3.844 13.618 ( 0.905 -4.365 1.214) 4.620 13.876 ( -3.142 1.607 3.108) 4.703 13.921 ( -2.307 -2.546 5.113) 6.160 14.178 ( 8.499 0.963 -3.523) 9.250 14.214 ( 7.392 -3.253 -4.560) 9.275 19.333 ( -11.066 10.972 6.339) 16.823 19.483 ( -12.564 -1.425 4.408) 13.391 19.810 ( -2.807 6.517 -6.452) 9.590 19.974 ( -4.214 -8.157 -7.194) 11.664 21.360 ( 9.321 4.437 -6.249) 12.068 21.478 ( 13.908 -6.457 -6.301) 16.578 21.784 ( 1.224 6.344 5.016) 8.179 21.914 ( 6.700 -5.817 6.057) 10.744 23.756 ( -0.040 1.922 1.284) 2.312 23.785 ( 1.157 -0.567 0.429) 1.358 24.231 ( 0.642 3.257 0.392) 3.343 24.302 ( 3.638 -3.319 0.267) 4.932 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 2.661 11.323 3.655) 12.192 2.544 ( -1.100 -11.081 2.858) 11.496 2.764 ( 1.928 7.829 -1.968) 8.299 2.833 ( 10.223 5.182 2.993) 11.845 2.913 ( 14.039 4.852 -5.547) 15.856 3.036 ( 10.636 -6.337 2.108) 12.559 3.121 ( -1.059 2.987 -1.150) 3.372 3.337 ( 10.677 -11.229 -0.827) 15.517 3.646 ( -3.478 11.701 4.847) 13.134 3.793 ( -4.944 -0.919 0.088) 5.029 3.922 ( 0.424 6.767 7.199) 9.889 3.956 ( 6.177 3.270 5.010) 8.599 4.085 ( 6.890 3.508 2.586) 8.152 4.117 ( 4.721 0.406 4.546) 6.567 4.256 ( 0.186 2.155 6.804) 7.139 4.333 ( 5.403 -4.246 -1.353) 7.003 4.654 ( 0.626 -0.972 -3.919) 4.086 4.760 ( -1.117 -9.840 0.291) 9.907 4.849 ( 5.451 13.471 0.100) 14.532 4.951 ( 9.514 7.989 2.203) 12.617 5.117 ( 5.534 -5.248 -4.643) 8.929 5.170 ( 4.309 -9.822 -5.527) 12.066 5.548 ( 7.064 -1.006 -2.840) 7.680 5.588 ( 4.436 -6.240 -5.432) 9.388 5.829 ( 0.501 -2.243 4.831) 5.350 5.840 ( 1.037 -1.719 1.737) 2.654 6.056 ( -2.463 4.009 -2.817) 5.484 6.193 ( -5.151 -8.147 -4.368) 10.582 6.399 ( 2.872 3.569 -4.787) 6.625 6.487 ( 3.881 -4.425 -5.777) 8.247 7.109 ( -7.078 6.884 1.971) 10.068 7.201 ( -3.870 -1.364 3.590) 5.452 7.228 ( -2.520 0.415 -0.435) 2.590 7.316 ( -1.068 -5.009 -4.221) 6.636 7.561 ( 4.091 -0.373 -2.276) 4.697 7.590 ( 3.127 -1.818 -3.520) 5.048 8.140 ( -1.161 2.363 -2.087) 3.359 8.173 ( -2.043 -0.331 -0.528) 2.135 8.590 ( 5.624 2.026 1.704) 6.216 8.618 ( 5.157 -0.648 0.429) 5.215 9.720 ( 0.961 5.001 8.810) 10.176 9.766 ( 2.490 0.932 8.950) 9.336 10.022 ( 5.349 6.145 -0.978) 8.205 10.110 ( 5.252 -2.303 0.973) 5.817 10.344 ( -2.615 10.951 -8.029) 13.828 10.496 ( -2.028 -2.725 -9.636) 10.217 10.712 ( -1.718 0.579 2.394) 3.003 10.721 ( -3.012 -0.316 3.680) 4.766 11.838 ( -3.244 0.574 0.457) 3.326 11.896 ( -3.078 -4.765 -1.989) 6.012 12.212 ( -0.905 -0.287 1.245) 1.566 12.267 ( 0.232 -5.263 0.884) 5.342 12.874 ( -3.920 2.687 -0.979) 4.853 12.946 ( -2.321 -4.148 -0.232) 4.759 13.499 ( -3.129 5.406 0.374) 6.257 13.579 ( -4.218 -2.109 -0.252) 4.722 13.855 ( 0.713 5.302 6.298) 8.264 13.988 ( 4.816 -5.972 5.466) 9.420 14.294 ( 4.393 -0.831 -1.967) 4.884 14.338 ( 7.141 -4.715 -6.714) 10.877 19.141 ( -9.990 8.494 2.590) 13.366 19.238 ( -13.210 0.529 2.177) 13.399 19.696 ( -6.301 2.879 -2.367) 7.320 19.816 ( -9.166 -7.842 -2.106) 12.245 21.556 ( 12.595 8.553 -8.635) 17.503 21.696 ( 7.272 -0.641 -0.282) 7.306 21.927 ( 13.727 0.655 -2.200) 13.917 22.082 ( 7.342 -10.182 8.500) 15.160 23.764 ( 0.326 2.758 1.378) 3.100 23.806 ( 0.975 -0.882 -0.166) 1.325 24.269 ( 2.805 4.962 1.179) 5.821 24.372 ( 3.298 -4.548 0.186) 5.621 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 1.534 7.397 0.585) 7.577 2.483 ( -5.169 -5.470 0.837) 7.572 2.766 ( 1.070 6.278 -2.047) 6.689 2.905 ( -3.135 -4.773 1.722) 5.965 3.096 ( 4.278 5.352 2.805) 7.404 3.171 ( 7.197 -1.893 1.688) 7.631 3.264 ( 10.014 7.339 1.364) 12.490 3.461 ( -0.404 -9.265 -1.442) 9.385 3.610 ( -1.448 9.771 1.709) 10.025 3.702 ( -2.044 3.378 -2.778) 4.827 3.966 ( 2.699 6.563 13.315) 15.089 4.093 ( 4.617 -1.607 8.492) 9.799 4.182 ( 2.981 0.237 8.023) 8.562 4.210 ( 2.399 -1.323 3.452) 4.408 4.312 ( 3.733 6.408 -2.448) 7.810 4.460 ( 5.271 -7.231 -2.838) 9.388 4.659 ( 2.317 -0.772 -10.098) 10.389 4.710 ( -3.016 -4.422 -2.786) 6.034 5.018 ( 9.212 9.723 4.395) 14.097 5.121 ( 6.934 2.746 -2.216) 7.781 5.215 ( 6.368 -4.686 2.221) 8.212 5.260 ( 4.734 -4.467 -4.080) 7.681 5.611 ( 0.542 -2.790 -3.340) 4.386 5.669 ( 4.960 -5.552 -6.923) 10.166 5.809 ( -1.841 2.314 -0.910) 3.094 5.859 ( -0.394 -2.523 0.336) 2.576 6.109 ( 6.840 0.249 1.528) 7.013 6.185 ( 5.652 -6.114 0.875) 8.372 6.442 ( 2.984 3.074 -3.362) 5.446 6.512 ( 0.290 -2.795 -3.242) 4.291 6.928 ( -10.998 5.731 -0.180) 12.403 7.042 ( -11.884 -4.927 -0.941) 12.899 7.211 ( 0.137 2.943 2.198) 3.676 7.287 ( -0.365 -3.846 -2.730) 4.731 7.573 ( -1.914 -0.691 -1.976) 2.837 7.587 ( -1.332 -1.464 -4.163) 4.609 8.131 ( 0.546 1.221 -1.766) 2.215 8.143 ( -0.516 0.217 -1.109) 1.242 8.687 ( 3.743 2.173 1.430) 4.559 8.708 ( 3.525 0.124 0.549) 3.569 9.788 ( 2.977 6.196 9.110) 11.413 9.868 ( 4.709 -0.951 9.499) 10.645 10.086 ( -0.707 6.203 0.619) 6.274 10.165 ( -0.439 -1.401 5.354) 5.552 10.310 ( 2.430 6.923 -8.944) 11.568 10.405 ( -2.534 -1.702 -10.997) 11.413 10.683 ( -1.291 2.382 1.497) 3.095 10.708 ( 0.303 0.596 -1.271) 1.436 11.793 ( -1.562 0.295 0.489) 1.663 11.841 ( -1.923 -4.041 -2.146) 4.963 12.191 ( -1.480 0.183 1.899) 2.415 12.245 ( -2.148 -4.718 -0.346) 5.196 12.851 ( 1.163 2.496 0.662) 2.832 12.918 ( -1.047 -3.824 0.805) 4.045 13.434 ( -2.844 3.465 -0.391) 4.499 13.485 ( -4.984 -1.279 -0.410) 5.162 13.921 ( 2.789 8.062 8.564) 12.088 14.081 ( 3.066 -4.358 2.572) 5.917 14.342 ( 1.280 -1.242 -1.044) 2.067 14.427 ( 4.363 -7.125 -7.632) 11.316 18.993 ( -5.371 5.296 -0.040) 7.543 19.028 ( -8.591 2.579 0.967) 9.021 19.595 ( -3.657 -1.013 0.837) 3.886 19.657 ( -6.506 -6.429 0.097) 9.147 21.751 ( 9.693 9.357 -7.508) 15.424 21.763 ( -0.264 8.754 5.888) 10.553 22.202 ( 10.804 -9.854 -3.575) 15.054 22.212 ( 6.926 -10.170 1.489) 12.395 23.775 ( 0.246 3.294 1.771) 3.748 23.817 ( 0.294 -0.256 -0.694) 0.796 24.332 ( 3.042 3.875 1.603) 5.181 24.417 ( 1.386 -3.795 -0.795) 4.117 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 3.361 3.585 0.815) 4.981 2.388 ( -4.271 2.881 0.354) 5.164 2.788 ( -2.045 0.157 2.895) 3.548 2.813 ( -1.673 -2.563 0.760) 3.154 3.216 ( 3.071 2.474 5.151) 6.487 3.236 ( -1.534 -0.335 4.392) 4.664 3.363 ( -4.531 2.543 -2.271) 5.670 3.378 ( 3.111 -0.412 -2.172) 3.816 3.625 ( 1.642 7.055 1.741) 7.450 3.667 ( -2.016 6.086 -2.532) 6.893 4.067 ( 1.611 4.396 15.856) 16.533 4.160 ( -0.890 -2.884 8.425) 8.949 4.222 ( -1.528 1.270 3.892) 4.370 4.262 ( 1.875 -3.501 3.813) 5.505 4.371 ( 4.106 6.329 -7.406) 10.572 4.506 ( 2.496 -6.585 -5.670) 9.041 4.611 ( -5.017 -0.041 -4.936) 7.039 4.670 ( 0.383 -4.550 -7.097) 8.439 5.143 ( -2.803 7.180 5.827) 9.663 5.199 ( -1.707 -1.501 -1.713) 2.846 5.258 ( 5.833 -2.249 -0.348) 6.261 5.331 ( 1.578 -1.618 -2.185) 3.143 5.573 ( -4.064 -0.876 -0.180) 4.162 5.672 ( -2.429 -5.863 -6.735) 9.253 5.811 ( 0.674 -0.535 1.541) 1.765 5.833 ( -2.102 -3.081 -0.100) 3.731 6.257 ( 0.696 -0.206 0.907) 1.162 6.273 ( 4.169 -0.582 -0.149) 4.212 6.474 ( -0.730 1.698 0.051) 1.849 6.494 ( -1.078 0.572 -1.302) 1.785 6.815 ( 3.129 -0.289 -1.100) 3.330 6.848 ( -3.176 -3.184 -3.478) 5.685 7.228 ( 0.538 2.294 2.138) 3.181 7.281 ( 0.319 -2.565 -2.290) 3.453 7.520 ( -1.679 0.251 -0.635) 1.813 7.561 ( 0.667 -3.120 -3.990) 5.109 8.130 ( 0.065 1.736 -1.074) 2.042 8.152 ( 1.584 -0.321 -3.224) 3.607 8.735 ( 0.693 1.617 1.005) 2.026 8.741 ( -0.193 1.016 0.240) 1.061 9.872 ( 2.015 7.385 10.107) 12.679 9.979 ( 2.699 -2.099 6.694) 7.517 10.016 ( -4.680 6.780 5.196) 9.740 10.124 ( -5.189 -3.454 2.366) 6.667 10.329 ( 0.920 4.202 -5.839) 7.252 10.365 ( 0.926 1.282 -9.137) 9.273 10.695 ( 3.031 3.220 -3.028) 5.360 10.721 ( 2.433 0.865 -5.119) 5.734 11.777 ( -0.691 -0.378 1.856) 2.016 11.806 ( -1.339 -3.039 -0.931) 3.449 12.179 ( -0.294 -0.406 2.808) 2.852 12.208 ( -1.314 -3.064 -0.004) 3.333 12.890 ( 0.573 -0.464 1.153) 1.368 12.898 ( -0.209 -1.238 0.417) 1.323 13.407 ( -0.400 0.698 0.961) 1.253 13.408 ( -1.993 0.584 0.853) 2.245 13.989 ( 1.167 7.680 8.401) 11.442 14.114 ( 0.255 -0.641 -1.368) 1.532 14.343 ( -0.979 -1.754 0.674) 2.118 14.457 ( 1.368 -8.983 -8.024) 12.122 18.931 ( -1.081 4.714 1.009) 4.940 18.959 ( 1.887 2.272 -1.756) 3.436 19.553 ( -1.938 -1.939 3.605) 4.529 19.599 ( 1.079 -6.009 -0.996) 6.185 21.725 ( -5.693 11.938 7.167) 15.043 21.860 ( 3.063 4.236 -4.396) 6.830 22.219 ( -3.331 -3.428 3.848) 6.136 22.393 ( 7.605 -14.926 -11.528) 20.336 23.783 ( -0.093 3.367 2.173) 4.008 23.814 ( -0.352 0.677 -0.858) 1.148 24.381 ( 0.949 1.445 1.691) 2.418 24.422 ( 0.032 -2.154 -2.273) 3.132 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -0.633 8.139 0.694) 8.193 2.465 ( 4.635 -1.115 3.239) 5.763 2.705 ( -4.563 6.247 3.590) 8.529 2.860 ( 1.700 -6.200 3.955) 7.548 3.112 ( -11.145 1.129 3.354) 11.693 3.140 ( -8.736 -1.754 0.476) 8.923 3.346 ( -3.612 2.977 -3.309) 5.732 3.423 ( 0.518 -2.183 1.190) 2.540 3.629 ( -0.803 3.800 4.204) 5.723 3.662 ( 4.530 4.232 -3.488) 7.113 4.034 ( -7.236 9.630 3.057) 12.427 4.170 ( -1.751 4.359 7.571) 8.910 4.178 ( -3.400 -3.002 3.445) 5.696 4.280 ( -1.386 -4.907 6.468) 8.236 4.427 ( 4.090 4.710 -7.137) 9.479 4.464 ( -6.288 2.286 -5.684) 8.778 4.524 ( -2.396 -1.195 -6.072) 6.636 4.654 ( -1.160 -11.084 1.075) 11.196 4.985 ( -9.506 9.452 4.327) 14.086 5.161 ( -4.991 -6.009 3.380) 8.512 5.231 ( -9.248 3.921 -5.115) 11.272 5.279 ( -6.488 -0.670 -5.848) 8.760 5.499 ( -3.192 -2.351 6.933) 7.986 5.608 ( -1.462 -8.791 -2.342) 9.214 5.783 ( -0.348 1.536 1.429) 2.127 5.853 ( 2.755 -2.895 0.872) 4.090 6.166 ( -5.035 0.301 -3.387) 6.075 6.249 ( -5.720 -5.998 -4.131) 9.261 6.419 ( -2.915 3.164 -1.170) 4.459 6.477 ( -1.622 -2.055 -0.045) 2.618 6.933 ( 10.750 4.094 -0.425) 11.511 7.015 ( 11.826 -3.314 2.148) 12.468 7.240 ( 0.889 0.965 -1.178) 1.764 7.277 ( -0.051 -2.299 -2.109) 3.120 7.525 ( 1.309 0.642 0.806) 1.666 7.582 ( 1.387 -3.880 -1.842) 4.513 8.131 ( 0.655 2.947 -2.211) 3.742 8.174 ( 1.864 -0.919 -3.646) 4.197 8.708 ( -3.017 1.758 -0.543) 3.534 8.716 ( -2.868 0.923 0.069) 3.013 9.889 ( -3.399 7.533 5.243) 9.788 9.927 ( -3.413 5.746 0.685) 6.718 10.031 ( -4.224 -1.410 3.257) 5.517 10.036 ( -2.888 -0.789 13.669) 13.993 10.318 ( 1.112 3.716 -7.124) 8.111 10.370 ( 2.731 -0.615 -6.636) 7.202 10.759 ( 4.074 2.579 -6.003) 7.699 10.766 ( 3.767 1.388 -6.041) 7.253 11.782 ( 0.713 -1.584 3.547) 3.950 11.792 ( 0.275 -2.550 0.607) 2.635 12.196 ( -0.448 -2.251 1.351) 2.663 12.198 ( 0.859 -2.387 4.171) 4.882 12.858 ( -1.702 2.264 0.019) 2.832 12.920 ( 0.386 -3.509 0.495) 3.565 13.403 ( 1.669 3.101 2.516) 4.328 13.451 ( 3.568 -1.346 2.593) 4.611 14.005 ( -1.880 6.356 5.119) 8.375 14.090 ( -1.812 1.361 -2.757) 3.569 14.308 ( -3.199 -1.383 2.038) 4.037 14.430 ( -1.543 -9.957 -7.748) 12.710 18.991 ( 7.206 6.977 -0.056) 10.030 19.062 ( 9.280 0.857 -2.075) 9.547 19.560 ( 1.648 1.065 3.636) 4.131 19.665 ( 5.406 -8.256 -0.174) 9.870 21.596 ( -9.770 11.691 6.606) 16.606 21.819 ( -7.297 -6.431 2.070) 9.944 22.129 ( -5.195 8.470 -3.720) 10.610 22.415 ( -1.459 -15.891 -11.658) 19.762 23.783 ( -0.618 2.828 1.907) 3.466 23.801 ( -0.742 1.062 -0.138) 1.303 24.361 ( -2.623 2.133 -0.689) 3.451 24.420 ( -0.290 -3.424 -1.329) 3.684 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 1.717 11.478 -0.910) 11.641 2.549 ( 0.658 -0.982 5.349) 5.478 2.635 ( -6.419 11.784 8.010) 15.628 2.782 ( -12.448 0.796 0.453) 12.482 2.912 ( -7.534 -10.740 5.788) 14.339 2.948 ( -11.434 -6.528 -0.319) 13.170 3.191 ( -8.193 4.796 -3.001) 9.957 3.348 ( -5.635 -8.933 -1.874) 10.727 3.665 ( 2.254 12.132 1.441) 12.423 3.813 ( 8.457 -0.281 -1.563) 8.605 3.918 ( -4.294 11.170 3.055) 12.351 4.042 ( -7.679 2.528 -1.792) 8.280 4.129 ( -6.412 -1.301 0.002) 6.542 4.189 ( -10.092 -3.420 -2.829) 11.024 4.359 ( -4.281 5.169 9.883) 11.946 4.430 ( -1.647 1.214 -4.802) 5.219 4.481 ( 1.918 3.759 -1.373) 4.438 4.625 ( -4.080 -7.206 10.303) 13.218 4.824 ( -7.388 5.702 1.810) 9.507 5.058 ( -6.150 -9.718 4.163) 12.231 5.085 ( -4.875 3.075 -2.033) 6.111 5.138 ( -1.069 -0.292 -11.819) 11.871 5.451 ( -3.784 -2.367 4.645) 6.442 5.549 ( -4.625 -8.338 -1.934) 9.729 5.821 ( 2.273 5.270 2.334) 6.196 5.925 ( 3.945 -4.551 -2.725) 6.611 6.099 ( -1.015 -1.147 -4.255) 4.522 6.164 ( 0.136 -5.587 -2.414) 6.088 6.363 ( -1.965 2.290 -1.890) 3.561 6.433 ( -2.128 -4.124 -0.579) 4.676 7.111 ( 5.710 5.511 2.547) 8.334 7.190 ( 3.818 -1.468 6.637) 7.796 7.264 ( 0.414 -0.359 -3.817) 3.856 7.277 ( 3.482 -1.838 -3.655) 5.372 7.526 ( -2.237 -1.299 0.961) 2.759 7.559 ( -3.868 -3.325 -0.373) 5.115 8.148 ( 2.039 3.757 -2.711) 5.062 8.202 ( 2.187 -1.020 -3.357) 4.134 8.631 ( -4.634 1.183 -2.010) 5.188 8.635 ( -4.877 0.698 -1.010) 5.029 9.821 ( -4.279 7.042 3.057) 8.789 9.871 ( -1.558 5.121 -1.888) 5.676 9.952 ( -6.393 0.765 5.904) 8.736 9.984 ( -5.027 -0.310 7.874) 9.348 10.345 ( 3.628 5.301 -5.772) 8.636 10.432 ( 4.424 -2.261 -3.402) 6.021 10.792 ( 1.507 2.157 -5.556) 6.147 10.810 ( 2.492 0.226 -5.054) 5.640 11.828 ( 3.161 -1.518 2.071) 4.073 11.840 ( 4.170 -2.770 2.751) 5.712 12.189 ( -1.128 -1.941 3.201) 3.910 12.222 ( -0.259 -5.083 5.243) 7.307 12.855 ( 1.880 3.034 0.812) 3.660 12.926 ( 0.493 -3.773 1.475) 4.081 13.476 ( 4.579 4.389 2.263) 6.735 13.544 ( 4.775 -1.942 2.786) 5.859 13.957 ( -3.184 5.185 -0.533) 6.108 14.033 ( -3.649 -0.418 -0.347) 3.689 14.232 ( -5.489 0.664 2.059) 5.900 14.350 ( -4.531 -9.426 -6.604) 12.369 19.192 ( 13.646 9.044 -2.159) 16.513 19.281 ( 13.558 1.674 -1.921) 13.795 19.629 ( 3.950 3.493 4.070) 6.661 19.782 ( 6.034 -9.751 0.943) 11.506 21.417 ( -10.090 8.727 4.834) 14.189 21.618 ( -13.560 -9.802 4.664) 17.370 22.014 ( -5.058 11.972 -7.764) 15.139 22.278 ( -8.893 -12.912 -10.322) 18.771 23.771 ( -0.971 2.053 0.929) 2.453 23.787 ( -0.955 0.667 1.324) 1.763 24.299 ( -3.054 3.405 -1.508) 4.816 24.387 ( -2.739 -4.786 -1.254) 5.655 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -15.776 17.049 0.935) 23.247 2.330 ( -11.509 14.881 0.844) 18.831 2.574 ( 1.052 0.586 3.525) 3.725 2.669 ( -13.135 -15.214 5.398) 20.812 2.735 ( -1.703 -5.522 3.823) 6.929 2.832 ( -2.467 -6.210 4.497) 8.054 3.092 ( -1.904 7.641 -3.092) 8.460 3.258 ( -3.025 -8.014 -3.176) 9.136 3.640 ( -4.038 14.160 1.209) 14.774 3.797 ( -6.015 0.389 -2.800) 6.646 3.900 ( -0.449 8.710 4.375) 9.758 3.973 ( -5.214 0.617 -1.914) 5.588 4.023 ( -1.593 2.064 -3.574) 4.424 4.098 ( 6.923 -1.006 -3.346) 7.755 4.291 ( -3.059 4.905 -0.814) 5.838 4.439 ( 0.326 -6.755 -1.508) 6.929 4.496 ( -1.987 4.002 15.620) 16.246 4.590 ( -3.257 1.866 18.765) 19.137 4.736 ( -3.505 -0.040 1.676) 3.885 4.941 ( -6.112 -3.752 2.614) 7.633 5.028 ( -0.744 0.524 -7.078) 7.136 5.155 ( 5.970 -4.054 -18.355) 19.723 5.401 ( -1.966 -5.151 1.554) 5.728 5.448 ( -4.513 -7.672 -1.159) 8.975 5.859 ( 0.269 5.455 4.163) 6.867 5.952 ( 0.173 -3.555 -2.492) 4.345 6.122 ( 4.020 -0.223 -5.068) 6.473 6.176 ( 0.144 -3.824 -2.198) 4.413 6.365 ( 3.594 2.300 -1.917) 4.678 6.443 ( 3.492 -4.817 -1.230) 6.076 7.134 ( -3.498 4.441 2.721) 6.274 7.187 ( -4.065 -0.635 3.447) 5.367 7.285 ( 1.984 0.589 -0.819) 2.225 7.324 ( 1.093 -2.551 -2.447) 3.700 7.464 ( -4.256 -2.005 0.451) 4.726 7.471 ( -2.499 -3.381 0.191) 4.209 8.184 ( 2.261 3.560 -2.205) 4.758 8.227 ( 1.034 -0.061 -2.665) 2.859 8.533 ( -4.273 0.484 -1.778) 4.653 8.544 ( -3.832 -0.152 -2.461) 4.557 9.760 ( -3.559 5.892 5.911) 9.074 9.836 ( -6.892 0.039 6.412) 9.414 9.863 ( 0.818 5.678 -1.610) 5.959 9.923 ( -1.994 0.705 -1.135) 2.400 10.405 ( 3.922 5.946 -4.039) 8.188 10.478 ( 1.099 0.214 -3.208) 3.398 10.799 ( 0.698 0.939 -1.936) 2.261 10.834 ( 1.252 -1.567 -3.119) 3.708 11.907 ( 3.781 -0.118 1.655) 4.129 11.937 ( 4.480 -2.797 0.684) 5.326 12.174 ( -1.461 -1.848 4.728) 5.282 12.217 ( -1.539 -5.687 4.379) 7.341 12.934 ( 4.644 0.426 3.022) 5.557 12.968 ( 3.608 -2.984 3.589) 5.899 13.547 ( 1.282 3.949 -0.687) 4.208 13.624 ( 2.186 -2.685 0.670) 3.527 13.926 ( 0.759 2.031 -0.314) 2.191 13.966 ( -1.752 -1.289 1.258) 2.513 14.118 ( -6.534 3.139 0.468) 7.264 14.223 ( -6.498 -7.053 -5.221) 10.919 19.453 ( 11.959 9.855 -1.600) 15.579 19.507 ( 8.623 7.252 -0.307) 11.271 19.736 ( 6.777 0.664 2.204) 7.157 19.874 ( 3.383 -9.235 -0.462) 9.846 21.282 ( -4.122 3.698 1.655) 5.780 21.392 ( -9.993 -6.492 2.257) 12.128 21.895 ( -4.745 7.379 -5.700) 10.462 22.043 ( -11.966 -6.701 -6.497) 15.176 23.759 ( -0.479 1.393 1.018) 1.791 23.773 ( -0.967 0.266 1.488) 1.795 24.249 ( -1.413 2.522 -1.216) 3.136 24.316 ( -3.915 -3.695 -1.118) 5.498 =================== 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 3/28224 10.0 1080.182 838.346 1169.596 0.000 59.698 0.000 3/28224 20.0 190.154 166.987 192.717 0.000 -13.708 0.000 3/28224 30.0 74.425 64.337 71.391 0.000 -6.272 0.000 3/28224 40.0 40.124 34.983 37.926 0.000 -3.241 0.000 3/28224 50.0 26.125 22.778 24.301 0.000 -1.992 0.000 3/28224 60.0 18.967 16.501 17.388 0.000 -1.382 0.000 3/28224 70.0 14.735 12.800 13.357 0.000 -1.040 0.000 3/28224 80.0 11.982 10.406 10.774 0.000 -0.827 0.000 3/28224 90.0 10.068 8.749 9.002 0.000 -0.685 0.000 3/28224 100.0 8.671 7.544 7.722 0.000 -0.584 0.000 3/28224 110.0 7.612 6.633 6.760 0.000 -0.508 0.000 3/28224 120.0 6.786 5.922 6.014 0.000 -0.450 0.000 3/28224 130.0 6.125 5.353 5.420 0.000 -0.405 0.000 3/28224 140.0 5.586 4.888 4.936 0.000 -0.368 0.000 3/28224 150.0 5.138 4.502 4.535 0.000 -0.338 0.000 3/28224 160.0 4.762 4.175 4.197 0.000 -0.313 0.000 3/28224 170.0 4.441 3.896 3.909 0.000 -0.292 0.000 3/28224 180.0 4.164 3.655 3.661 0.000 -0.274 0.000 3/28224 190.0 3.923 3.443 3.444 0.000 -0.258 0.000 3/28224 200.0 3.710 3.257 3.253 0.000 -0.245 0.000 3/28224 210.0 3.522 3.092 3.083 0.000 -0.233 0.000 3/28224 220.0 3.355 2.944 2.932 0.000 -0.223 0.000 3/28224 230.0 3.204 2.810 2.796 0.000 -0.214 0.000 3/28224 240.0 3.067 2.689 2.673 0.000 -0.206 0.000 3/28224 250.0 2.943 2.579 2.561 0.000 -0.198 0.000 3/28224 260.0 2.830 2.478 2.459 0.000 -0.192 0.000 3/28224 270.0 2.726 2.385 2.365 0.000 -0.186 0.000 3/28224 280.0 2.630 2.300 2.278 0.000 -0.180 0.000 3/28224 290.0 2.541 2.220 2.198 0.000 -0.175 0.000 3/28224 300.0 2.458 2.146 2.124 0.000 -0.170 0.000 3/28224 310.0 2.381 2.078 2.055 0.000 -0.165 0.000 3/28224 320.0 2.309 2.014 1.990 0.000 -0.161 0.000 3/28224 330.0 2.242 1.953 1.930 0.000 -0.157 0.000 3/28224 340.0 2.179 1.897 1.873 0.000 -0.153 0.000 3/28224 350.0 2.119 1.843 1.820 0.000 -0.150 0.000 3/28224 360.0 2.063 1.793 1.769 0.000 -0.146 0.000 3/28224 370.0 2.009 1.746 1.722 0.000 -0.143 0.000 3/28224 380.0 1.959 1.701 1.677 0.000 -0.140 0.000 3/28224 390.0 1.911 1.658 1.635 0.000 -0.137 0.000 3/28224 400.0 1.865 1.618 1.594 0.000 -0.134 0.000 3/28224 410.0 1.822 1.579 1.556 0.000 -0.132 0.000 3/28224 420.0 1.781 1.542 1.519 0.000 -0.129 0.000 3/28224 430.0 1.741 1.507 1.485 0.000 -0.127 0.000 3/28224 440.0 1.704 1.474 1.452 0.000 -0.124 0.000 3/28224 450.0 1.668 1.442 1.420 0.000 -0.122 0.000 3/28224 460.0 1.633 1.411 1.389 0.000 -0.120 0.000 3/28224 470.0 1.600 1.382 1.360 0.000 -0.118 0.000 3/28224 480.0 1.568 1.354 1.333 0.000 -0.116 0.000 3/28224 490.0 1.538 1.327 1.306 0.000 -0.114 0.000 3/28224 500.0 1.508 1.301 1.280 0.000 -0.112 0.000 3/28224 510.0 1.480 1.276 1.256 0.000 -0.110 0.000 3/28224 520.0 1.453 1.252 1.232 0.000 -0.108 0.000 3/28224 530.0 1.427 1.229 1.209 0.000 -0.106 0.000 3/28224 540.0 1.401 1.207 1.187 0.000 -0.105 0.000 3/28224 550.0 1.377 1.185 1.166 0.000 -0.103 0.000 3/28224 560.0 1.353 1.165 1.146 0.000 -0.102 0.000 3/28224 570.0 1.330 1.145 1.126 0.000 -0.100 0.000 3/28224 580.0 1.308 1.126 1.107 0.000 -0.099 0.000 3/28224 590.0 1.287 1.107 1.088 0.000 -0.097 0.000 3/28224 600.0 1.267 1.089 1.070 0.000 -0.096 0.000 3/28224 610.0 1.247 1.071 1.053 0.000 -0.094 0.000 3/28224 620.0 1.227 1.054 1.037 0.000 -0.093 0.000 3/28224 630.0 1.208 1.038 1.020 0.000 -0.092 0.000 3/28224 640.0 1.190 1.022 1.005 0.000 -0.090 0.000 3/28224 650.0 1.173 1.007 0.990 0.000 -0.089 0.000 3/28224 660.0 1.155 0.992 0.975 0.000 -0.088 0.000 3/28224 670.0 1.139 0.977 0.960 0.000 -0.087 0.000 3/28224 680.0 1.123 0.963 0.947 0.000 -0.086 0.000 3/28224 690.0 1.107 0.949 0.933 0.000 -0.085 0.000 3/28224 700.0 1.092 0.936 0.920 0.000 -0.084 0.000 3/28224 710.0 1.077 0.923 0.907 0.000 -0.082 0.000 3/28224 720.0 1.062 0.911 0.895 0.000 -0.081 0.000 3/28224 730.0 1.048 0.898 0.883 0.000 -0.080 0.000 3/28224 740.0 1.034 0.886 0.871 0.000 -0.079 0.000 3/28224 750.0 1.021 0.875 0.860 0.000 -0.078 0.000 3/28224 760.0 1.008 0.863 0.848 0.000 -0.078 0.000 3/28224 770.0 0.995 0.852 0.838 0.000 -0.077 0.000 3/28224 780.0 0.983 0.842 0.827 0.000 -0.076 0.000 3/28224 790.0 0.971 0.831 0.817 0.000 -0.075 0.000 3/28224 800.0 0.959 0.821 0.807 0.000 -0.074 0.000 3/28224 810.0 0.947 0.811 0.797 0.000 -0.073 0.000 3/28224 820.0 0.936 0.801 0.787 0.000 -0.072 0.000 3/28224 830.0 0.925 0.792 0.778 0.000 -0.072 0.000 3/28224 840.0 0.914 0.782 0.769 0.000 -0.071 0.000 3/28224 850.0 0.904 0.773 0.760 0.000 -0.070 0.000 3/28224 860.0 0.894 0.764 0.751 0.000 -0.069 0.000 3/28224 870.0 0.884 0.756 0.742 0.000 -0.069 0.000 3/28224 880.0 0.874 0.747 0.734 0.000 -0.068 0.000 3/28224 890.0 0.864 0.739 0.726 0.000 -0.067 0.000 3/28224 900.0 0.855 0.731 0.718 0.000 -0.066 0.000 3/28224 910.0 0.846 0.723 0.710 0.000 -0.066 0.000 3/28224 920.0 0.837 0.715 0.703 0.000 -0.065 0.000 3/28224 930.0 0.828 0.708 0.695 0.000 -0.064 0.000 3/28224 940.0 0.819 0.700 0.688 0.000 -0.064 0.000 3/28224 950.0 0.811 0.693 0.681 0.000 -0.063 0.000 3/28224 960.0 0.802 0.686 0.674 0.000 -0.063 0.000 3/28224 970.0 0.794 0.679 0.667 0.000 -0.062 0.000 3/28224 980.0 0.786 0.672 0.660 0.000 -0.061 0.000 3/28224 990.0 0.779 0.665 0.653 0.000 -0.061 0.000 3/28224 1000.0 0.771 0.659 0.647 0.000 -0.060 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:32:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|