----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:32:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.096557840002641 0.000000000000000 0.000000000000000 b 0.000000000000000 8.244099600000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): *1 O 0.69201275952237 0.42523386384744 0.14424642087042 15.999 2 O 0.30798724047763 0.92523386384744 0.35575357912958 15.999 3 O 0.30798724047763 0.57476613615256 0.85575357912958 15.999 4 O 0.69201275952237 0.07476613615256 0.64424642087042 15.999 *5 O 0.68215101254861 0.13542246171559 0.23864633447186 15.999 6 O 0.31784898745139 0.63542246171560 0.26135366552814 15.999 7 O 0.31784898745139 0.86457753828440 0.76135366552814 15.999 8 O 0.68215101254861 0.36457753828440 0.73864633447186 15.999 *9 O 0.18349511263024 0.30170997106258 0.37689891679600 15.999 10 O 0.81650488736976 0.80170997106258 0.12310108320400 15.999 *11 O 0.75881391939323 0.14490020715327 0.94127439381386 15.999 12 O 0.24118608060677 0.64490020715327 0.55872560618614 15.999 13 O 0.24118608060677 0.85509979284673 0.05872560618614 15.999 14 O 0.75881391939323 0.35509979284673 0.44127439381386 15.999 15 O 0.18349511263024 0.19829002893742 0.87689891679600 15.999 16 O 0.81650488736976 0.69829002893742 0.62310108320400 15.999 *17 Mg 0.48744203422171 0.14372914241988 0.39172276093107 24.305 18 Mg 0.51255796577829 0.64372914241988 0.10827723906893 24.305 19 Mg 0.51255796577829 0.85627085758012 0.60827723906893 24.305 20 Mg 0.48744203422171 0.35627085758012 0.89172276093107 24.305 *21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 *23 P 0.83596704036426 0.19495471134742 0.80050127276780 30.974 24 P 0.16403295963574 0.69495471134742 0.69949872723220 30.974 25 P 0.16403295963574 0.80504528865258 0.19949872723220 30.974 26 P 0.83596704036426 0.30504528865258 0.30050127276780 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.096557840002641 0.000000000000000 0.000000000000000 b 0.000000000000000 8.244099600000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): *1 O 0.69201275952237 0.42523386384744 0.14424642087042 15.999 > 1 2 O 0.30798724047763 0.92523386384744 0.35575357912958 15.999 > 2 3 O 0.30798724047763 0.57476613615256 0.85575357912958 15.999 > 3 4 O 0.69201275952237 0.07476613615256 0.64424642087042 15.999 > 4 *5 O 0.68215101254861 0.13542246171559 0.23864633447186 15.999 > 5 6 O 0.31784898745139 0.63542246171560 0.26135366552814 15.999 > 6 7 O 0.31784898745139 0.86457753828440 0.76135366552814 15.999 > 7 8 O 0.68215101254861 0.36457753828440 0.73864633447186 15.999 > 8 *9 O 0.18349511263024 0.30170997106258 0.37689891679600 15.999 > 9 10 O 0.81650488736976 0.80170997106258 0.12310108320400 15.999 > 10 *11 O 0.75881391939323 0.14490020715327 0.94127439381386 15.999 > 11 12 O 0.24118608060677 0.64490020715327 0.55872560618614 15.999 > 12 13 O 0.24118608060677 0.85509979284673 0.05872560618614 15.999 > 13 14 O 0.75881391939323 0.35509979284673 0.44127439381386 15.999 > 14 15 O 0.18349511263024 0.19829002893742 0.87689891679600 15.999 > 15 16 O 0.81650488736976 0.69829002893742 0.62310108320400 15.999 > 16 *17 Mg 0.48744203422171 0.14372914241988 0.39172276093107 24.305 > 17 18 Mg 0.51255796577829 0.64372914241988 0.10827723906893 24.305 > 18 19 Mg 0.51255796577829 0.85627085758012 0.60827723906893 24.305 > 19 20 Mg 0.48744203422171 0.35627085758012 0.89172276093107 24.305 > 20 *21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 21 22 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 22 *23 P 0.83596704036426 0.19495471134742 0.80050127276780 30.974 > 23 24 P 0.16403295963574 0.69495471134742 0.69949872723220 30.974 > 24 25 P 0.16403295963574 0.80504528865258 0.19949872723220 30.974 > 25 26 P 0.83596704036426 0.30504528865258 0.30050127276780 30.974 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.193115680005281 0.000000000000000 0.000000000000000 b 0.000000000000000 16.488199200000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): *1 O 0.34600637976118 0.21261693192372 0.14424642087042 15.999 > 1 2 O 0.84600637976118 0.21261693192372 0.14424642087042 15.999 > 1 3 O 0.34600637976118 0.71261693192372 0.14424642087042 15.999 > 1 4 O 0.84600637976118 0.71261693192372 0.14424642087042 15.999 > 1 5 O 0.15399362023882 0.46261693192372 0.35575357912958 15.999 > 2 6 O 0.65399362023882 0.46261693192372 0.35575357912958 15.999 > 2 7 O 0.15399362023882 0.96261693192372 0.35575357912958 15.999 > 2 8 O 0.65399362023882 0.96261693192372 0.35575357912958 15.999 > 2 9 O 0.15399362023882 0.28738306807628 0.85575357912958 15.999 > 3 10 O 0.65399362023882 0.28738306807628 0.85575357912958 15.999 > 3 11 O 0.15399362023882 0.78738306807628 0.85575357912958 15.999 > 3 12 O 0.65399362023882 0.78738306807628 0.85575357912958 15.999 > 3 13 O 0.34600637976118 0.03738306807628 0.64424642087042 15.999 > 4 14 O 0.84600637976118 0.03738306807628 0.64424642087042 15.999 > 4 15 O 0.34600637976118 0.53738306807628 0.64424642087042 15.999 > 4 16 O 0.84600637976118 0.53738306807628 0.64424642087042 15.999 > 4 *17 O 0.34107550627431 0.06771123085780 0.23864633447186 15.999 > 5 18 O 0.84107550627431 0.06771123085780 0.23864633447186 15.999 > 5 19 O 0.34107550627431 0.56771123085780 0.23864633447186 15.999 > 5 20 O 0.84107550627431 0.56771123085780 0.23864633447186 15.999 > 5 21 O 0.15892449372570 0.31771123085780 0.26135366552814 15.999 > 6 22 O 0.65892449372570 0.31771123085780 0.26135366552814 15.999 > 6 23 O 0.15892449372570 0.81771123085780 0.26135366552814 15.999 > 6 24 O 0.65892449372570 0.81771123085780 0.26135366552814 15.999 > 6 25 O 0.15892449372570 0.43228876914220 0.76135366552814 15.999 > 7 26 O 0.65892449372570 0.43228876914220 0.76135366552814 15.999 > 7 27 O 0.15892449372570 0.93228876914220 0.76135366552814 15.999 > 7 28 O 0.65892449372570 0.93228876914220 0.76135366552814 15.999 > 7 29 O 0.34107550627431 0.18228876914220 0.73864633447186 15.999 > 8 30 O 0.84107550627431 0.18228876914220 0.73864633447186 15.999 > 8 31 O 0.34107550627431 0.68228876914220 0.73864633447186 15.999 > 8 32 O 0.84107550627431 0.68228876914220 0.73864633447186 15.999 > 8 *33 O 0.09174755631512 0.15085498553129 0.37689891679600 15.999 > 9 34 O 0.59174755631512 0.15085498553129 0.37689891679600 15.999 > 9 35 O 0.09174755631512 0.65085498553129 0.37689891679600 15.999 > 9 36 O 0.59174755631512 0.65085498553129 0.37689891679600 15.999 > 9 37 O 0.40825244368488 0.40085498553129 0.12310108320400 15.999 > 10 38 O 0.90825244368488 0.40085498553129 0.12310108320400 15.999 > 10 39 O 0.40825244368488 0.90085498553129 0.12310108320400 15.999 > 10 40 O 0.90825244368488 0.90085498553129 0.12310108320400 15.999 > 10 *41 O 0.37940695969661 0.07245010357664 0.94127439381386 15.999 > 11 42 O 0.87940695969661 0.07245010357664 0.94127439381386 15.999 > 11 43 O 0.37940695969661 0.57245010357664 0.94127439381386 15.999 > 11 44 O 0.87940695969661 0.57245010357664 0.94127439381386 15.999 > 11 45 O 0.12059304030339 0.32245010357664 0.55872560618614 15.999 > 12 46 O 0.62059304030339 0.32245010357664 0.55872560618614 15.999 > 12 47 O 0.12059304030339 0.82245010357664 0.55872560618614 15.999 > 12 48 O 0.62059304030339 0.82245010357664 0.55872560618614 15.999 > 12 49 O 0.12059304030339 0.42754989642336 0.05872560618614 15.999 > 13 50 O 0.62059304030339 0.42754989642336 0.05872560618614 15.999 > 13 51 O 0.12059304030339 0.92754989642336 0.05872560618614 15.999 > 13 52 O 0.62059304030339 0.92754989642336 0.05872560618614 15.999 > 13 53 O 0.37940695969661 0.17754989642336 0.44127439381386 15.999 > 14 54 O 0.87940695969661 0.17754989642336 0.44127439381386 15.999 > 14 55 O 0.37940695969661 0.67754989642336 0.44127439381386 15.999 > 14 56 O 0.87940695969661 0.67754989642336 0.44127439381386 15.999 > 14 57 O 0.09174755631512 0.09914501446871 0.87689891679600 15.999 > 15 58 O 0.59174755631512 0.09914501446871 0.87689891679600 15.999 > 15 59 O 0.09174755631512 0.59914501446871 0.87689891679600 15.999 > 15 60 O 0.59174755631512 0.59914501446871 0.87689891679600 15.999 > 15 61 O 0.40825244368488 0.34914501446871 0.62310108320400 15.999 > 16 62 O 0.90825244368488 0.34914501446871 0.62310108320400 15.999 > 16 63 O 0.40825244368488 0.84914501446871 0.62310108320400 15.999 > 16 64 O 0.90825244368488 0.84914501446871 0.62310108320400 15.999 > 16 *65 Mg 0.24372101711086 0.07186457120994 0.39172276093107 24.305 > 17 66 Mg 0.74372101711086 0.07186457120994 0.39172276093107 24.305 > 17 67 Mg 0.24372101711086 0.57186457120994 0.39172276093107 24.305 > 17 68 Mg 0.74372101711086 0.57186457120994 0.39172276093107 24.305 > 17 69 Mg 0.25627898288914 0.32186457120994 0.10827723906893 24.305 > 18 70 Mg 0.75627898288914 0.32186457120994 0.10827723906893 24.305 > 18 71 Mg 0.25627898288914 0.82186457120994 0.10827723906893 24.305 > 18 72 Mg 0.75627898288914 0.82186457120994 0.10827723906893 24.305 > 18 73 Mg 0.25627898288914 0.42813542879006 0.60827723906893 24.305 > 19 74 Mg 0.75627898288914 0.42813542879006 0.60827723906893 24.305 > 19 75 Mg 0.25627898288914 0.92813542879006 0.60827723906893 24.305 > 19 76 Mg 0.75627898288914 0.92813542879006 0.60827723906893 24.305 > 19 77 Mg 0.24372101711086 0.17813542879006 0.89172276093107 24.305 > 20 78 Mg 0.74372101711086 0.17813542879006 0.89172276093107 24.305 > 20 79 Mg 0.24372101711086 0.67813542879006 0.89172276093107 24.305 > 20 80 Mg 0.74372101711086 0.67813542879006 0.89172276093107 24.305 > 20 *81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 21 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 21 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 21 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 21 85 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 22 86 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 22 87 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 22 88 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 22 *89 P 0.41798352018213 0.09747735567371 0.80050127276780 30.974 > 23 90 P 0.91798352018213 0.09747735567371 0.80050127276780 30.974 > 23 91 P 0.41798352018213 0.59747735567371 0.80050127276780 30.974 > 23 92 P 0.91798352018213 0.59747735567371 0.80050127276780 30.974 > 23 93 P 0.08201647981787 0.34747735567371 0.69949872723220 30.974 > 24 94 P 0.58201647981787 0.34747735567371 0.69949872723220 30.974 > 24 95 P 0.08201647981787 0.84747735567371 0.69949872723220 30.974 > 24 96 P 0.58201647981787 0.84747735567371 0.69949872723220 30.974 > 24 97 P 0.08201647981787 0.40252264432629 0.19949872723220 30.974 > 25 98 P 0.58201647981787 0.40252264432629 0.19949872723220 30.974 > 25 99 P 0.08201647981787 0.90252264432629 0.19949872723220 30.974 > 25 100 P 0.58201647981787 0.90252264432629 0.19949872723220 30.974 > 25 101 P 0.41798352018213 0.15252264432629 0.30050127276780 30.974 > 26 102 P 0.91798352018213 0.15252264432629 0.30050127276780 30.974 > 26 103 P 0.41798352018213 0.65252264432629 0.30050127276780 30.974 > 26 104 P 0.91798352018213 0.65252264432629 0.30050127276780 30.974 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5369054 0.0000000 -0.0162985 0.0000000 2.4904415 0.0000000 -0.0162984 0.0000000 2.4935118 -------------------------- Born effective charges -------------------------- 1 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 2 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 3 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 4 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 5 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 6 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 7 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 8 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 9 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 10 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 11 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 12 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 13 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 14 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 15 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 16 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 17 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 18 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 19 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 20 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 21 Mg 2.2067166 0.0624872 0.1216553 -0.0522736 2.3350891 -0.2376455 -0.1297333 0.2171353 2.1530322 22 Mg 2.2067166 -0.0624872 0.1216553 0.0522736 2.3350891 0.2376455 -0.1297333 -0.2171353 2.1530322 23 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 24 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 25 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 26 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.778 Solver_block: 200 / 800 - Time: 0.693 Solver_block: 300 / 800 - Time: 0.689 Solver_block: 400 / 800 - Time: 0.690 Solver_block: 500 / 800 - Time: 0.688 Solver_block: 600 / 800 - Time: 0.696 Solver_block: 700 / 800 - Time: 0.698 Solver_block: 800 / 800 - Time: 0.689 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.749 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 164 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 14), data: (678, 28) @ (28, 14) |-- (178, 164), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), 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 00:32:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:32:57]------------------------- 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 5.096557840002641 0.000000000000000 0.000000000000000 b 0.000000000000000 8.244099600000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): 1 O 0.69201275952237 0.42523386384744 0.14424642087042 15.999 2 O 0.30798724047763 0.92523386384744 0.35575357912958 15.999 3 O 0.30798724047763 0.57476613615256 0.85575357912958 15.999 4 O 0.69201275952237 0.07476613615256 0.64424642087042 15.999 5 O 0.68215101254861 0.13542246171559 0.23864633447186 15.999 6 O 0.31784898745139 0.63542246171560 0.26135366552814 15.999 7 O 0.31784898745139 0.86457753828440 0.76135366552814 15.999 8 O 0.68215101254861 0.36457753828440 0.73864633447186 15.999 9 O 0.18349511263024 0.30170997106258 0.37689891679600 15.999 10 O 0.81650488736976 0.80170997106258 0.12310108320400 15.999 11 O 0.75881391939323 0.14490020715327 0.94127439381386 15.999 12 O 0.24118608060677 0.64490020715327 0.55872560618614 15.999 13 O 0.24118608060677 0.85509979284673 0.05872560618614 15.999 14 O 0.75881391939323 0.35509979284673 0.44127439381386 15.999 15 O 0.18349511263024 0.19829002893742 0.87689891679600 15.999 16 O 0.81650488736976 0.69829002893742 0.62310108320400 15.999 17 Mg 0.48744203422171 0.14372914241988 0.39172276093107 24.305 18 Mg 0.51255796577829 0.64372914241988 0.10827723906893 24.305 19 Mg 0.51255796577829 0.85627085758012 0.60827723906893 24.305 20 Mg 0.48744203422171 0.35627085758012 0.89172276093107 24.305 21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 23 P 0.83596704036426 0.19495471134742 0.80050127276780 30.974 24 P 0.16403295963574 0.69495471134742 0.69949872723220 30.974 25 P 0.16403295963574 0.80504528865258 0.19949872723220 30.974 26 P 0.83596704036426 0.30504528865258 0.30050127276780 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.193115680005281 0.000000000000000 0.000000000000000 b 0.000000000000000 16.488199200000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): 1 O 0.34600637976118 0.21261693192372 0.14424642087042 15.999 > 1 2 O 0.84600637976118 0.21261693192372 0.14424642087042 15.999 > 1 3 O 0.34600637976118 0.71261693192372 0.14424642087042 15.999 > 1 4 O 0.84600637976118 0.71261693192372 0.14424642087042 15.999 > 1 5 O 0.15399362023882 0.46261693192372 0.35575357912958 15.999 > 5 6 O 0.65399362023882 0.46261693192372 0.35575357912958 15.999 > 5 7 O 0.15399362023882 0.96261693192372 0.35575357912958 15.999 > 5 8 O 0.65399362023882 0.96261693192372 0.35575357912958 15.999 > 5 9 O 0.15399362023882 0.28738306807628 0.85575357912958 15.999 > 9 10 O 0.65399362023882 0.28738306807628 0.85575357912958 15.999 > 9 11 O 0.15399362023882 0.78738306807628 0.85575357912958 15.999 > 9 12 O 0.65399362023882 0.78738306807628 0.85575357912958 15.999 > 9 13 O 0.34600637976118 0.03738306807628 0.64424642087042 15.999 > 13 14 O 0.84600637976118 0.03738306807628 0.64424642087042 15.999 > 13 15 O 0.34600637976118 0.53738306807628 0.64424642087042 15.999 > 13 16 O 0.84600637976118 0.53738306807628 0.64424642087042 15.999 > 13 17 O 0.34107550627431 0.06771123085780 0.23864633447186 15.999 > 17 18 O 0.84107550627431 0.06771123085780 0.23864633447186 15.999 > 17 19 O 0.34107550627431 0.56771123085780 0.23864633447186 15.999 > 17 20 O 0.84107550627431 0.56771123085780 0.23864633447186 15.999 > 17 21 O 0.15892449372570 0.31771123085780 0.26135366552814 15.999 > 21 22 O 0.65892449372570 0.31771123085780 0.26135366552814 15.999 > 21 23 O 0.15892449372570 0.81771123085780 0.26135366552814 15.999 > 21 24 O 0.65892449372570 0.81771123085780 0.26135366552814 15.999 > 21 25 O 0.15892449372570 0.43228876914220 0.76135366552814 15.999 > 25 26 O 0.65892449372570 0.43228876914220 0.76135366552814 15.999 > 25 27 O 0.15892449372570 0.93228876914220 0.76135366552814 15.999 > 25 28 O 0.65892449372570 0.93228876914220 0.76135366552814 15.999 > 25 29 O 0.34107550627431 0.18228876914220 0.73864633447186 15.999 > 29 30 O 0.84107550627431 0.18228876914220 0.73864633447186 15.999 > 29 31 O 0.34107550627431 0.68228876914220 0.73864633447186 15.999 > 29 32 O 0.84107550627431 0.68228876914220 0.73864633447186 15.999 > 29 33 O 0.09174755631512 0.15085498553129 0.37689891679600 15.999 > 33 34 O 0.59174755631512 0.15085498553129 0.37689891679600 15.999 > 33 35 O 0.09174755631512 0.65085498553129 0.37689891679600 15.999 > 33 36 O 0.59174755631512 0.65085498553129 0.37689891679600 15.999 > 33 37 O 0.40825244368488 0.40085498553129 0.12310108320400 15.999 > 37 38 O 0.90825244368488 0.40085498553129 0.12310108320400 15.999 > 37 39 O 0.40825244368488 0.90085498553129 0.12310108320400 15.999 > 37 40 O 0.90825244368488 0.90085498553129 0.12310108320400 15.999 > 37 41 O 0.37940695969661 0.07245010357664 0.94127439381386 15.999 > 41 42 O 0.87940695969661 0.07245010357664 0.94127439381386 15.999 > 41 43 O 0.37940695969661 0.57245010357664 0.94127439381386 15.999 > 41 44 O 0.87940695969661 0.57245010357664 0.94127439381386 15.999 > 41 45 O 0.12059304030339 0.32245010357664 0.55872560618614 15.999 > 45 46 O 0.62059304030339 0.32245010357664 0.55872560618614 15.999 > 45 47 O 0.12059304030339 0.82245010357664 0.55872560618614 15.999 > 45 48 O 0.62059304030339 0.82245010357664 0.55872560618614 15.999 > 45 49 O 0.12059304030339 0.42754989642336 0.05872560618614 15.999 > 49 50 O 0.62059304030339 0.42754989642336 0.05872560618614 15.999 > 49 51 O 0.12059304030339 0.92754989642336 0.05872560618614 15.999 > 49 52 O 0.62059304030339 0.92754989642336 0.05872560618614 15.999 > 49 53 O 0.37940695969661 0.17754989642336 0.44127439381386 15.999 > 53 54 O 0.87940695969661 0.17754989642336 0.44127439381386 15.999 > 53 55 O 0.37940695969661 0.67754989642336 0.44127439381386 15.999 > 53 56 O 0.87940695969661 0.67754989642336 0.44127439381386 15.999 > 53 57 O 0.09174755631512 0.09914501446871 0.87689891679600 15.999 > 57 58 O 0.59174755631512 0.09914501446871 0.87689891679600 15.999 > 57 59 O 0.09174755631512 0.59914501446871 0.87689891679600 15.999 > 57 60 O 0.59174755631512 0.59914501446871 0.87689891679600 15.999 > 57 61 O 0.40825244368488 0.34914501446871 0.62310108320400 15.999 > 61 62 O 0.90825244368488 0.34914501446871 0.62310108320400 15.999 > 61 63 O 0.40825244368488 0.84914501446871 0.62310108320400 15.999 > 61 64 O 0.90825244368488 0.84914501446871 0.62310108320400 15.999 > 61 65 Mg 0.24372101711086 0.07186457120994 0.39172276093107 24.305 > 65 66 Mg 0.74372101711086 0.07186457120994 0.39172276093107 24.305 > 65 67 Mg 0.24372101711086 0.57186457120994 0.39172276093107 24.305 > 65 68 Mg 0.74372101711086 0.57186457120994 0.39172276093107 24.305 > 65 69 Mg 0.25627898288914 0.32186457120994 0.10827723906893 24.305 > 69 70 Mg 0.75627898288914 0.32186457120994 0.10827723906893 24.305 > 69 71 Mg 0.25627898288914 0.82186457120994 0.10827723906893 24.305 > 69 72 Mg 0.75627898288914 0.82186457120994 0.10827723906893 24.305 > 69 73 Mg 0.25627898288914 0.42813542879006 0.60827723906893 24.305 > 73 74 Mg 0.75627898288914 0.42813542879006 0.60827723906893 24.305 > 73 75 Mg 0.25627898288914 0.92813542879006 0.60827723906893 24.305 > 73 76 Mg 0.75627898288914 0.92813542879006 0.60827723906893 24.305 > 73 77 Mg 0.24372101711086 0.17813542879006 0.89172276093107 24.305 > 77 78 Mg 0.74372101711086 0.17813542879006 0.89172276093107 24.305 > 77 79 Mg 0.24372101711086 0.67813542879006 0.89172276093107 24.305 > 77 80 Mg 0.74372101711086 0.67813542879006 0.89172276093107 24.305 > 77 81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 81 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 81 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 81 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 81 85 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 85 86 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 85 87 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 85 88 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 85 89 P 0.41798352018213 0.09747735567371 0.80050127276780 30.974 > 89 90 P 0.91798352018213 0.09747735567371 0.80050127276780 30.974 > 89 91 P 0.41798352018213 0.59747735567371 0.80050127276780 30.974 > 89 92 P 0.91798352018213 0.59747735567371 0.80050127276780 30.974 > 89 93 P 0.08201647981787 0.34747735567371 0.69949872723220 30.974 > 93 94 P 0.58201647981787 0.34747735567371 0.69949872723220 30.974 > 93 95 P 0.08201647981787 0.84747735567371 0.69949872723220 30.974 > 93 96 P 0.58201647981787 0.84747735567371 0.69949872723220 30.974 > 93 97 P 0.08201647981787 0.40252264432629 0.19949872723220 30.974 > 97 98 P 0.58201647981787 0.40252264432629 0.19949872723220 30.974 > 97 99 P 0.08201647981787 0.90252264432629 0.19949872723220 30.974 > 97 100 P 0.58201647981787 0.90252264432629 0.19949872723220 30.974 > 97 101 P 0.41798352018213 0.15252264432629 0.30050127276780 30.974 > 101 102 P 0.91798352018213 0.15252264432629 0.30050127276780 30.974 > 101 103 P 0.41798352018213 0.65252264432629 0.30050127276780 30.974 > 101 104 P 0.91798352018213 0.65252264432629 0.30050127276780 30.974 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5369054 0.0000000 -0.0162985 0.0000000 2.4904415 0.0000000 -0.0162984 0.0000000 2.4935118 -------------------------- Born effective charges -------------------------- 1 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 2 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 3 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 4 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 5 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 6 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 7 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 8 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 9 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 10 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 11 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 12 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 13 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 14 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 15 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 16 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 17 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 18 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 19 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 20 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 21 Mg 2.2067166 0.0624872 0.1216553 -0.0522736 2.3350891 -0.2376455 -0.1297333 0.2171353 2.1530322 22 Mg 2.2067166 -0.0624872 0.1216553 0.0522736 2.3350891 0.2376455 -0.1297333 -0.2171353 2.1530322 23 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 24 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 25 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 26 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 41, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 89, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) 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 00:33:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:33:25]------------------------- 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 5.096557840002641 0.000000000000000 0.000000000000000 b 0.000000000000000 8.244099600000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): 1 O 0.69201275952237 0.42523386384744 0.14424642087042 15.999 2 O 0.30798724047763 0.92523386384744 0.35575357912958 15.999 3 O 0.30798724047763 0.57476613615256 0.85575357912958 15.999 4 O 0.69201275952237 0.07476613615256 0.64424642087042 15.999 5 O 0.68215101254861 0.13542246171559 0.23864633447186 15.999 6 O 0.31784898745139 0.63542246171560 0.26135366552814 15.999 7 O 0.31784898745139 0.86457753828440 0.76135366552814 15.999 8 O 0.68215101254861 0.36457753828440 0.73864633447186 15.999 9 O 0.18349511263024 0.30170997106258 0.37689891679600 15.999 10 O 0.81650488736976 0.80170997106258 0.12310108320400 15.999 11 O 0.75881391939323 0.14490020715327 0.94127439381386 15.999 12 O 0.24118608060677 0.64490020715327 0.55872560618614 15.999 13 O 0.24118608060677 0.85509979284673 0.05872560618614 15.999 14 O 0.75881391939323 0.35509979284673 0.44127439381386 15.999 15 O 0.18349511263024 0.19829002893742 0.87689891679600 15.999 16 O 0.81650488736976 0.69829002893742 0.62310108320400 15.999 17 Mg 0.48744203422171 0.14372914241988 0.39172276093107 24.305 18 Mg 0.51255796577829 0.64372914241988 0.10827723906893 24.305 19 Mg 0.51255796577829 0.85627085758012 0.60827723906893 24.305 20 Mg 0.48744203422171 0.35627085758012 0.89172276093107 24.305 21 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 22 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 23 P 0.83596704036426 0.19495471134742 0.80050127276780 30.974 24 P 0.16403295963574 0.69495471134742 0.69949872723220 30.974 25 P 0.16403295963574 0.80504528865258 0.19949872723220 30.974 26 P 0.83596704036426 0.30504528865258 0.30050127276780 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.193115680005281 0.000000000000000 0.000000000000000 b 0.000000000000000 16.488199200000000 0.000000000000000 c -4.560620626521989 0.000000000000000 7.607049195767228 Atomic positions (fractional): 1 O 0.34600637976118 0.21261693192372 0.14424642087042 15.999 > 1 2 O 0.84600637976118 0.21261693192372 0.14424642087042 15.999 > 1 3 O 0.34600637976118 0.71261693192372 0.14424642087042 15.999 > 1 4 O 0.84600637976118 0.71261693192372 0.14424642087042 15.999 > 1 5 O 0.15399362023882 0.46261693192372 0.35575357912958 15.999 > 5 6 O 0.65399362023882 0.46261693192372 0.35575357912958 15.999 > 5 7 O 0.15399362023882 0.96261693192372 0.35575357912958 15.999 > 5 8 O 0.65399362023882 0.96261693192372 0.35575357912958 15.999 > 5 9 O 0.15399362023882 0.28738306807628 0.85575357912958 15.999 > 9 10 O 0.65399362023882 0.28738306807628 0.85575357912958 15.999 > 9 11 O 0.15399362023882 0.78738306807628 0.85575357912958 15.999 > 9 12 O 0.65399362023882 0.78738306807628 0.85575357912958 15.999 > 9 13 O 0.34600637976118 0.03738306807628 0.64424642087042 15.999 > 13 14 O 0.84600637976118 0.03738306807628 0.64424642087042 15.999 > 13 15 O 0.34600637976118 0.53738306807628 0.64424642087042 15.999 > 13 16 O 0.84600637976118 0.53738306807628 0.64424642087042 15.999 > 13 17 O 0.34107550627431 0.06771123085780 0.23864633447186 15.999 > 17 18 O 0.84107550627431 0.06771123085780 0.23864633447186 15.999 > 17 19 O 0.34107550627431 0.56771123085780 0.23864633447186 15.999 > 17 20 O 0.84107550627431 0.56771123085780 0.23864633447186 15.999 > 17 21 O 0.15892449372570 0.31771123085780 0.26135366552814 15.999 > 21 22 O 0.65892449372570 0.31771123085780 0.26135366552814 15.999 > 21 23 O 0.15892449372570 0.81771123085780 0.26135366552814 15.999 > 21 24 O 0.65892449372570 0.81771123085780 0.26135366552814 15.999 > 21 25 O 0.15892449372570 0.43228876914220 0.76135366552814 15.999 > 25 26 O 0.65892449372570 0.43228876914220 0.76135366552814 15.999 > 25 27 O 0.15892449372570 0.93228876914220 0.76135366552814 15.999 > 25 28 O 0.65892449372570 0.93228876914220 0.76135366552814 15.999 > 25 29 O 0.34107550627431 0.18228876914220 0.73864633447186 15.999 > 29 30 O 0.84107550627431 0.18228876914220 0.73864633447186 15.999 > 29 31 O 0.34107550627431 0.68228876914220 0.73864633447186 15.999 > 29 32 O 0.84107550627431 0.68228876914220 0.73864633447186 15.999 > 29 33 O 0.09174755631512 0.15085498553129 0.37689891679600 15.999 > 33 34 O 0.59174755631512 0.15085498553129 0.37689891679600 15.999 > 33 35 O 0.09174755631512 0.65085498553129 0.37689891679600 15.999 > 33 36 O 0.59174755631512 0.65085498553129 0.37689891679600 15.999 > 33 37 O 0.40825244368488 0.40085498553129 0.12310108320400 15.999 > 37 38 O 0.90825244368488 0.40085498553129 0.12310108320400 15.999 > 37 39 O 0.40825244368488 0.90085498553129 0.12310108320400 15.999 > 37 40 O 0.90825244368488 0.90085498553129 0.12310108320400 15.999 > 37 41 O 0.37940695969661 0.07245010357664 0.94127439381386 15.999 > 41 42 O 0.87940695969661 0.07245010357664 0.94127439381386 15.999 > 41 43 O 0.37940695969661 0.57245010357664 0.94127439381386 15.999 > 41 44 O 0.87940695969661 0.57245010357664 0.94127439381386 15.999 > 41 45 O 0.12059304030339 0.32245010357664 0.55872560618614 15.999 > 45 46 O 0.62059304030339 0.32245010357664 0.55872560618614 15.999 > 45 47 O 0.12059304030339 0.82245010357664 0.55872560618614 15.999 > 45 48 O 0.62059304030339 0.82245010357664 0.55872560618614 15.999 > 45 49 O 0.12059304030339 0.42754989642336 0.05872560618614 15.999 > 49 50 O 0.62059304030339 0.42754989642336 0.05872560618614 15.999 > 49 51 O 0.12059304030339 0.92754989642336 0.05872560618614 15.999 > 49 52 O 0.62059304030339 0.92754989642336 0.05872560618614 15.999 > 49 53 O 0.37940695969661 0.17754989642336 0.44127439381386 15.999 > 53 54 O 0.87940695969661 0.17754989642336 0.44127439381386 15.999 > 53 55 O 0.37940695969661 0.67754989642336 0.44127439381386 15.999 > 53 56 O 0.87940695969661 0.67754989642336 0.44127439381386 15.999 > 53 57 O 0.09174755631512 0.09914501446871 0.87689891679600 15.999 > 57 58 O 0.59174755631512 0.09914501446871 0.87689891679600 15.999 > 57 59 O 0.09174755631512 0.59914501446871 0.87689891679600 15.999 > 57 60 O 0.59174755631512 0.59914501446871 0.87689891679600 15.999 > 57 61 O 0.40825244368488 0.34914501446871 0.62310108320400 15.999 > 61 62 O 0.90825244368488 0.34914501446871 0.62310108320400 15.999 > 61 63 O 0.40825244368488 0.84914501446871 0.62310108320400 15.999 > 61 64 O 0.90825244368488 0.84914501446871 0.62310108320400 15.999 > 61 65 Mg 0.24372101711086 0.07186457120994 0.39172276093107 24.305 > 65 66 Mg 0.74372101711086 0.07186457120994 0.39172276093107 24.305 > 65 67 Mg 0.24372101711086 0.57186457120994 0.39172276093107 24.305 > 65 68 Mg 0.74372101711086 0.57186457120994 0.39172276093107 24.305 > 65 69 Mg 0.25627898288914 0.32186457120994 0.10827723906893 24.305 > 69 70 Mg 0.75627898288914 0.32186457120994 0.10827723906893 24.305 > 69 71 Mg 0.25627898288914 0.82186457120994 0.10827723906893 24.305 > 69 72 Mg 0.75627898288914 0.82186457120994 0.10827723906893 24.305 > 69 73 Mg 0.25627898288914 0.42813542879006 0.60827723906893 24.305 > 73 74 Mg 0.75627898288914 0.42813542879006 0.60827723906893 24.305 > 73 75 Mg 0.25627898288914 0.92813542879006 0.60827723906893 24.305 > 73 76 Mg 0.75627898288914 0.92813542879006 0.60827723906893 24.305 > 73 77 Mg 0.24372101711086 0.17813542879006 0.89172276093107 24.305 > 77 78 Mg 0.74372101711086 0.17813542879006 0.89172276093107 24.305 > 77 79 Mg 0.24372101711086 0.67813542879006 0.89172276093107 24.305 > 77 80 Mg 0.74372101711086 0.67813542879006 0.89172276093107 24.305 > 77 81 Mg 0.25000000000000 0.25000000000000 0.50000000000000 24.305 > 81 82 Mg 0.75000000000000 0.25000000000000 0.50000000000000 24.305 > 81 83 Mg 0.25000000000000 0.75000000000000 0.50000000000000 24.305 > 81 84 Mg 0.75000000000000 0.75000000000000 0.50000000000000 24.305 > 81 85 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 85 86 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 85 87 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 85 88 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 85 89 P 0.41798352018213 0.09747735567371 0.80050127276780 30.974 > 89 90 P 0.91798352018213 0.09747735567371 0.80050127276780 30.974 > 89 91 P 0.41798352018213 0.59747735567371 0.80050127276780 30.974 > 89 92 P 0.91798352018213 0.59747735567371 0.80050127276780 30.974 > 89 93 P 0.08201647981787 0.34747735567371 0.69949872723220 30.974 > 93 94 P 0.58201647981787 0.34747735567371 0.69949872723220 30.974 > 93 95 P 0.08201647981787 0.84747735567371 0.69949872723220 30.974 > 93 96 P 0.58201647981787 0.84747735567371 0.69949872723220 30.974 > 93 97 P 0.08201647981787 0.40252264432629 0.19949872723220 30.974 > 97 98 P 0.58201647981787 0.40252264432629 0.19949872723220 30.974 > 97 99 P 0.08201647981787 0.90252264432629 0.19949872723220 30.974 > 97 100 P 0.58201647981787 0.90252264432629 0.19949872723220 30.974 > 97 101 P 0.41798352018213 0.15252264432629 0.30050127276780 30.974 > 101 102 P 0.91798352018213 0.15252264432629 0.30050127276780 30.974 > 101 103 P 0.41798352018213 0.65252264432629 0.30050127276780 30.974 > 101 104 P 0.91798352018213 0.65252264432629 0.30050127276780 30.974 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5369054 0.0000000 -0.0162985 0.0000000 2.4904415 0.0000000 -0.0162984 0.0000000 2.4935118 -------------------------- Born effective charges -------------------------- 1 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 2 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 3 O -1.0666248 0.0808813 0.0106634 0.1389223 -1.7876141 0.5203300 -0.0222355 0.4921847 -2.0049471 4 O -1.0666248 -0.0808813 0.0106634 -0.1389223 -1.7876141 -0.5203300 -0.0222355 -0.4921847 -2.0049471 5 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 6 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 7 O -1.3590232 -0.2912870 0.0415130 -0.3500261 -1.8761801 -0.3965924 0.0531707 -0.3888088 -1.3934847 8 O -1.3590232 0.2912870 0.0415130 0.3500261 -1.8761801 0.3965924 0.0531707 0.3888088 -1.3934847 9 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 10 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 11 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 12 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 13 O -1.8269751 -0.1492685 0.5270076 -0.1659421 -1.3251292 0.2090918 0.5725734 0.2521103 -1.5597758 14 O -1.8269751 0.1492685 0.5270076 0.1659421 -1.3251292 -0.2090918 0.5725734 -0.2521103 -1.5597758 15 O -2.3169763 -0.0558309 -0.4904199 -0.0827151 -1.2643649 0.0226066 -0.5054647 0.0912297 -1.2468251 16 O -2.3169763 0.0558309 -0.4904199 0.0827151 -1.2643649 -0.0226066 -0.5054647 -0.0912297 -1.2468251 17 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 18 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 19 Mg 2.0382126 0.0363734 -0.1108242 0.2219477 2.0419499 0.0288079 -0.0447945 -0.0280434 1.9295706 20 Mg 2.0382126 -0.0363734 -0.1108242 -0.2219477 2.0419499 -0.0288079 -0.0447945 0.0280434 1.9295706 21 Mg 2.2067166 0.0624872 0.1216553 -0.0522736 2.3350891 -0.2376455 -0.1297333 0.2171353 2.1530322 22 Mg 2.2067166 -0.0624872 0.1216553 0.0522736 2.3350891 0.2376455 -0.1297333 -0.2171353 2.1530322 23 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 24 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 25 P 3.4280284 -0.0588335 -0.0387676 -0.0455723 3.0437938 0.0617387 0.0116172 -0.0332226 3.1989459 26 P 3.4280284 0.0588335 -0.0387676 0.0455723 3.0437938 -0.0617387 0.0116172 0.0332226 3.1989459 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 6 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: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/156) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 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 3.064 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.374 ( 0.000 0.000 0.000) 0.000 13.743 ( 0.000 0.000 0.000) 0.000 13.854 ( 0.000 0.000 0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.726 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.315 ( 0.000 0.000 0.000) 0.000 16.487 ( 0.000 0.000 0.000) 0.000 16.526 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 17.917 ( 0.000 0.000 0.000) 0.000 17.959 ( 0.000 0.000 0.000) 0.000 17.987 ( 0.000 0.000 0.000) 0.000 18.002 ( 0.000 0.000 0.000) 0.000 18.391 ( 0.000 0.000 0.000) 0.000 18.690 ( 0.000 0.000 0.000) 0.000 18.874 ( 0.000 0.000 0.000) 0.000 19.245 ( 0.000 0.000 0.000) 0.000 28.213 ( 0.000 0.000 0.000) 0.000 28.355 ( 0.000 0.000 0.000) 0.000 28.604 ( 0.000 0.000 0.000) 0.000 28.693 ( 0.000 0.000 0.000) 0.000 29.705 ( 0.000 0.000 0.000) 0.000 29.846 ( 0.000 0.000 0.000) 0.000 30.078 ( 0.000 0.000 0.000) 0.000 30.865 ( 0.000 0.000 0.000) 0.000 31.148 ( 0.000 0.000 0.000) 0.000 31.296 ( 0.000 0.000 0.000) 0.000 31.314 ( 0.000 0.000 0.000) 0.000 31.470 ( 0.000 0.000 0.000) 0.000 31.741 ( 0.000 0.000 0.000) 0.000 31.791 ( 0.000 0.000 0.000) 0.000 32.290 ( 0.000 0.000 0.000) 0.000 33.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/156) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 16.577 0.000 24.833) 29.857 0.774 ( 31.404 0.000 20.384) 37.440 1.633 ( 74.965 0.000 24.342) 78.818 3.345 ( 33.308 0.000 -8.758) 34.440 3.865 ( 34.384 0.000 6.297) 34.956 3.976 ( 11.123 0.000 -5.622) 12.463 4.089 ( 2.998 0.000 -7.244) 7.840 4.288 ( 9.385 0.000 -2.526) 9.719 4.698 ( 10.286 0.000 6.372) 12.100 4.838 ( -5.708 0.000 -5.781) 8.124 4.970 ( -1.390 0.000 -8.439) 8.553 5.154 ( 8.036 0.000 7.102) 10.724 5.243 ( 7.202 0.000 1.497) 7.356 5.473 ( 2.490 0.000 -7.901) 8.284 6.180 ( -5.913 0.000 -9.178) 10.918 6.241 ( 2.087 0.000 3.179) 3.803 6.510 ( -2.460 0.000 1.471) 2.867 6.552 ( -6.436 0.000 -5.504) 8.469 6.629 ( -19.957 0.000 -9.502) 22.104 7.143 ( -9.172 0.000 -0.077) 9.172 7.359 ( 2.076 0.000 -9.428) 9.653 7.669 ( -1.774 0.000 6.966) 7.188 7.976 ( 9.410 0.000 4.828) 10.576 8.110 ( -4.437 0.000 0.891) 4.526 8.134 ( -4.410 0.000 2.555) 5.096 8.377 ( 6.377 0.000 -12.253) 13.813 8.784 ( -18.673 0.000 1.667) 18.747 8.828 ( 0.994 0.000 15.486) 15.518 9.161 ( 6.681 0.000 2.070) 6.994 9.539 ( 3.957 0.000 11.060) 11.746 9.895 ( -21.757 0.000 -2.460) 21.896 9.907 ( -30.046 0.000 46.313) 55.205 10.388 ( -0.828 0.000 9.551) 9.587 10.516 ( -3.228 0.000 -2.304) 3.966 10.725 ( 11.371 0.000 -5.971) 12.844 10.826 ( 22.766 0.000 -1.852) 22.841 11.279 ( 1.603 0.000 4.765) 5.027 11.665 ( -7.116 0.000 -9.416) 11.802 11.764 ( 3.762 0.000 -3.284) 4.993 12.294 ( 4.730 0.000 -2.592) 5.394 12.446 ( 3.469 0.000 6.323) 7.212 13.229 ( -12.369 0.000 9.414) 15.544 13.739 ( 0.781 0.000 -6.505) 6.551 13.814 ( -3.070 0.000 3.405) 4.584 13.833 ( -5.401 0.000 3.702) 6.548 14.435 ( -0.140 0.000 -7.595) 7.597 14.687 ( -3.345 0.000 -1.431) 3.638 14.697 ( 18.572 0.000 -39.291) 43.459 15.062 ( 0.273 0.000 -0.133) 0.303 15.301 ( -5.567 0.000 -1.759) 5.838 16.606 ( 5.519 0.000 1.185) 5.645 16.621 ( -0.074 0.000 1.549) 1.551 16.699 ( 5.866 0.000 -4.596) 7.452 16.800 ( -1.929 0.000 -0.340) 1.959 17.856 ( -2.669 0.000 -4.892) 5.573 17.896 ( 0.275 0.000 -8.589) 8.594 18.039 ( 2.184 0.000 -0.191) 2.193 18.041 ( 1.077 0.000 5.838) 5.936 18.407 ( 0.672 0.000 1.853) 1.971 18.745 ( -4.057 0.000 4.695) 6.205 18.873 ( -2.154 0.000 2.902) 3.614 19.283 ( 3.683 0.000 0.588) 3.730 28.215 ( -0.299 0.000 0.869) 0.919 28.342 ( -0.426 0.000 -1.393) 1.457 28.663 ( -1.976 0.000 5.966) 6.285 28.673 ( -1.658 0.000 -0.878) 1.876 29.692 ( -1.191 0.000 -0.333) 1.237 29.875 ( 1.707 0.000 2.472) 3.004 30.084 ( -1.464 0.000 3.313) 3.622 30.785 ( -11.431 0.000 4.032) 12.121 31.200 ( -5.567 0.000 -2.598) 6.144 31.351 ( 17.667 0.000 0.563) 17.675 31.396 ( 2.167 0.000 0.996) 2.385 31.732 ( 2.830 0.000 -1.852) 3.382 31.829 ( -0.539 0.000 7.439) 7.459 32.297 ( 3.280 0.000 -4.565) 5.621 33.339 ( -2.656 0.000 0.067) 2.657 34.561 ( 13.650 0.000 -24.212) 27.795 ======================= Grid point 2 (3/156) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 11.721 0.000 19.645) 22.876 1.555 ( 32.160 0.000 19.324) 37.519 3.135 ( 61.756 0.000 23.221) 65.977 3.759 ( 15.978 0.000 -19.219) 24.993 4.009 ( 10.027 0.000 -12.451) 15.986 4.167 ( 1.422 0.000 3.601) 3.871 4.580 ( 28.091 0.000 -2.308) 28.185 4.643 ( 29.277 0.000 4.294) 29.590 4.788 ( -3.174 0.000 -1.558) 3.536 4.825 ( 28.494 0.000 -14.634) 32.032 4.978 ( 11.605 0.000 5.164) 12.702 5.365 ( 7.761 0.000 -2.575) 8.177 5.453 ( 7.894 0.000 -11.488) 13.939 5.467 ( 15.799 0.000 5.634) 16.773 5.726 ( -19.683 0.000 -22.556) 29.937 6.292 ( -9.977 0.000 3.520) 10.580 6.393 ( 7.474 0.000 9.770) 12.302 6.497 ( -2.423 0.000 5.543) 6.050 6.510 ( 1.789 0.000 -5.052) 5.360 6.849 ( -14.036 0.000 -11.978) 18.452 7.284 ( 3.319 0.000 -10.403) 10.920 7.725 ( -1.702 0.000 8.776) 8.940 7.920 ( -17.868 0.000 -0.007) 17.868 8.041 ( -7.865 0.000 -0.263) 7.869 8.178 ( 4.565 0.000 4.644) 6.512 8.335 ( -2.669 0.000 -3.706) 4.567 8.508 ( -7.117 0.000 -4.843) 8.609 8.984 ( -0.123 0.000 13.595) 13.596 9.348 ( 6.977 0.000 5.101) 8.643 9.585 ( -11.485 0.000 1.298) 11.558 9.686 ( -2.100 0.000 11.815) 12.000 9.826 ( -16.206 0.000 14.478) 21.731 10.445 ( -2.593 0.000 0.513) 2.643 10.475 ( -2.944 0.000 11.906) 12.265 10.861 ( 11.275 0.000 -7.647) 13.623 11.062 ( 5.487 0.000 -1.639) 5.727 11.423 ( -6.552 0.000 -10.371) 12.267 11.460 ( 10.634 0.000 8.052) 13.338 11.869 ( 12.778 0.000 -3.972) 13.382 12.313 ( -0.075 0.000 -3.173) 3.174 12.593 ( 2.806 0.000 8.936) 9.367 13.072 ( -10.707 0.000 1.218) 10.776 13.625 ( -4.451 0.000 -2.980) 5.357 13.730 ( -10.846 0.000 3.573) 11.419 13.868 ( 4.506 0.000 1.389) 4.716 14.296 ( -3.281 0.000 -11.148) 11.621 14.588 ( -5.716 0.000 -1.292) 5.860 14.632 ( 4.695 0.000 -10.490) 11.493 15.057 ( -0.161 0.000 -1.343) 1.353 15.174 ( -6.846 0.000 -0.244) 6.851 16.645 ( 0.640 0.000 1.380) 1.521 16.664 ( -0.440 0.000 4.009) 4.033 16.746 ( -3.051 0.000 -0.669) 3.123 16.831 ( 13.467 0.000 -7.335) 15.335 17.731 ( -4.735 0.000 -5.851) 7.527 17.810 ( 0.136 0.000 -7.623) 7.624 18.065 ( 0.775 0.000 0.019) 0.775 18.125 ( 0.442 0.000 6.134) 6.150 18.451 ( 0.993 0.000 3.419) 3.560 18.715 ( -3.877 0.000 3.277) 5.077 18.851 ( -4.326 0.000 3.871) 5.805 19.371 ( 4.164 0.000 1.673) 4.488 28.223 ( -0.194 0.000 1.699) 1.710 28.320 ( 0.061 0.000 -1.560) 1.562 28.620 ( -2.703 0.000 -1.429) 3.057 28.691 ( -1.419 0.000 4.179) 4.413 29.659 ( -1.804 0.000 -0.757) 1.956 29.956 ( 3.227 0.000 4.289) 5.368 30.105 ( 0.381 0.000 2.553) 2.581 30.627 ( -8.273 0.000 -0.294) 8.279 31.033 ( -7.760 0.000 -6.319) 10.007 31.312 ( -11.278 0.000 -0.039) 11.278 31.708 ( 20.257 0.000 -0.607) 20.266 31.907 ( 17.706 0.000 -1.374) 17.759 31.924 ( 0.471 0.000 11.286) 11.296 32.290 ( 1.712 0.000 -6.427) 6.651 33.311 ( 0.094 0.000 1.117) 1.121 34.540 ( 5.870 0.000 -12.295) 13.625 ======================= Grid point 3 (4/156) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 6.109 0.000 12.770) 14.156 2.318 ( 30.884 0.000 16.141) 34.848 3.452 ( -12.813 0.000 -26.110) 29.084 3.966 ( 12.771 0.000 -5.069) 13.740 4.173 ( 12.941 0.000 -6.858) 14.645 4.424 ( 23.499 0.000 24.920) 34.252 4.437 ( -16.488 0.000 -11.314) 19.996 4.961 ( -1.555 0.000 -7.577) 7.735 5.132 ( 5.862 0.000 0.963) 5.941 5.236 ( 34.480 0.000 6.008) 34.999 5.284 ( 1.729 0.000 -5.798) 6.051 5.436 ( 15.423 0.000 -10.812) 18.836 5.468 ( 8.236 0.000 1.577) 8.385 5.747 ( 42.693 0.000 -6.634) 43.205 5.806 ( 19.402 0.000 -1.997) 19.504 6.190 ( -4.661 0.000 1.647) 4.943 6.454 ( -7.163 0.000 -15.002) 16.624 6.561 ( 0.761 0.000 9.385) 9.416 6.619 ( 13.968 0.000 -5.015) 14.841 6.653 ( 7.904 0.000 7.490) 10.890 7.255 ( 5.654 0.000 -9.615) 11.154 7.553 ( -19.305 0.000 1.330) 19.351 7.776 ( -6.599 0.000 12.753) 14.359 7.864 ( -3.846 0.000 -9.141) 9.917 8.205 ( -4.705 0.000 1.202) 4.856 8.262 ( -1.665 0.000 2.246) 2.796 8.420 ( 0.241 0.000 -4.971) 4.977 9.125 ( 1.726 0.000 9.218) 9.378 9.430 ( -1.289 0.000 0.585) 1.415 9.505 ( -4.412 0.000 6.777) 8.086 9.610 ( -15.644 0.000 3.592) 16.051 9.735 ( -3.634 0.000 4.072) 5.458 10.466 ( 2.021 0.000 4.282) 4.735 10.534 ( -3.796 0.000 10.716) 11.368 10.952 ( 7.653 0.000 -6.428) 9.994 11.084 ( -1.040 0.000 2.158) 2.396 11.237 ( -1.655 0.000 -10.740) 10.867 11.743 ( 11.558 0.000 5.063) 12.618 12.087 ( 12.638 0.000 -1.338) 12.709 12.193 ( -11.246 0.000 -1.395) 11.332 12.709 ( -0.478 0.000 8.173) 8.187 12.913 ( -6.098 0.000 -1.191) 6.213 13.527 ( -13.615 0.000 0.677) 13.632 13.588 ( 1.009 0.000 3.492) 3.635 13.979 ( 6.198 0.000 0.667) 6.234 14.120 ( -5.534 0.000 -6.378) 8.444 14.472 ( -6.056 0.000 0.058) 6.056 14.639 ( 4.366 0.000 -3.409) 5.539 15.028 ( -0.572 0.000 -2.463) 2.529 15.062 ( -4.744 0.000 -1.275) 4.912 16.640 ( -1.257 0.000 -2.401) 2.710 16.712 ( 0.279 0.000 1.763) 1.785 16.712 ( 0.912 0.000 2.500) 2.661 16.969 ( 9.398 0.000 -5.469) 10.874 17.568 ( -5.829 0.000 -6.532) 8.755 17.744 ( 0.047 0.000 -4.951) 4.951 18.069 ( -0.222 0.000 -0.185) 0.288 18.167 ( -2.419 0.000 4.656) 5.247 18.508 ( 0.435 0.000 4.357) 4.379 18.682 ( -2.105 0.000 0.803) 2.253 18.811 ( -4.279 0.000 3.398) 5.464 19.445 ( 1.578 0.000 2.108) 2.633 28.246 ( 0.294 0.000 2.411) 2.429 28.316 ( 1.151 0.000 -1.060) 1.565 28.552 ( -2.962 0.000 -1.727) 3.428 28.694 ( -2.352 0.000 2.590) 3.498 29.618 ( -1.523 0.000 -0.931) 1.785 30.076 ( 4.252 0.000 5.084) 6.628 30.145 ( 1.364 0.000 1.422) 1.970 30.492 ( -6.271 0.000 -0.122) 6.272 30.806 ( -8.859 0.000 -7.218) 11.428 31.062 ( -13.223 0.000 -3.476) 13.672 31.932 ( 2.476 0.000 5.192) 5.752 32.165 ( 15.525 0.000 4.682) 16.216 32.200 ( -4.235 0.000 -5.764) 7.153 32.258 ( 20.897 0.000 -0.247) 20.899 33.391 ( 6.246 0.000 2.807) 6.848 34.510 ( 2.944 0.000 -7.802) 8.339 ======================= Grid point 4 (5/156) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 2.262 0.000 6.712) 7.083 2.696 ( -4.822 0.000 -18.119) 18.750 3.217 ( 16.795 0.000 6.272) 17.927 4.004 ( 1.938 0.000 -4.922) 5.290 4.067 ( -13.492 0.000 -0.217) 13.494 4.375 ( 18.810 0.000 -8.311) 20.564 4.654 ( -10.064 0.000 -14.794) 17.893 4.967 ( 4.419 0.000 17.448) 17.998 5.125 ( -0.050 0.000 4.576) 4.576 5.372 ( 5.683 0.000 -1.990) 6.021 5.438 ( 0.400 0.000 -12.081) 12.087 5.711 ( 10.103 0.000 7.194) 12.402 5.762 ( 13.651 0.000 6.408) 15.080 5.891 ( -6.454 0.000 -4.234) 7.719 6.084 ( -15.009 0.000 -12.777) 19.711 6.177 ( 15.459 0.000 -2.254) 15.622 6.564 ( 21.007 0.000 0.968) 21.030 6.738 ( -1.835 0.000 -1.877) 2.625 6.796 ( 22.077 0.000 6.647) 23.056 6.925 ( 19.474 0.000 -4.942) 20.092 7.351 ( 16.547 0.000 -3.743) 16.965 7.455 ( 9.775 0.000 0.568) 9.792 7.719 ( -4.158 0.000 2.654) 4.933 7.834 ( 0.823 0.000 3.133) 3.239 8.088 ( -6.671 0.000 -0.362) 6.681 8.281 ( -1.136 0.000 -0.694) 1.331 8.382 ( -0.946 0.000 -0.035) 0.947 9.217 ( -2.303 0.000 6.784) 7.164 9.377 ( -8.840 0.000 -3.692) 9.580 9.381 ( -4.672 0.000 1.391) 4.875 9.463 ( -5.358 0.000 1.560) 5.580 9.691 ( -3.603 0.000 0.925) 3.720 10.566 ( -3.819 0.000 7.610) 8.514 10.586 ( 4.784 0.000 5.551) 7.328 11.021 ( 6.955 0.000 -4.395) 8.227 11.112 ( 1.022 0.000 3.497) 3.643 11.128 ( 1.938 0.000 -9.484) 9.680 11.894 ( -21.073 0.000 1.353) 21.116 11.942 ( 6.004 0.000 1.961) 6.316 12.250 ( 5.957 0.000 1.033) 6.045 12.748 ( -3.077 0.000 5.111) 5.966 12.835 ( -1.596 0.000 -1.527) 2.208 13.302 ( -10.326 0.000 -0.807) 10.358 13.732 ( 6.695 0.000 8.515) 10.832 13.964 ( -6.004 0.000 -3.220) 6.813 14.078 ( 4.224 0.000 -0.914) 4.322 14.390 ( -3.618 0.000 1.158) 3.799 14.708 ( 5.335 0.000 -0.393) 5.349 14.976 ( -3.316 0.000 -1.619) 3.691 14.996 ( -0.091 0.000 -1.867) 1.869 16.588 ( -0.708 0.000 -2.646) 2.740 16.720 ( 0.030 0.000 -0.176) 0.179 16.779 ( 2.376 0.000 2.170) 3.218 17.049 ( 5.104 0.000 -3.632) 6.264 17.393 ( -5.757 0.000 -6.225) 8.478 17.705 ( -0.216 0.000 -2.280) 2.290 18.057 ( -0.788 0.000 -0.136) 0.800 18.145 ( -3.955 0.000 2.856) 4.879 18.553 ( -0.576 0.000 4.163) 4.203 18.661 ( 0.034 0.000 -1.248) 1.249 18.779 ( -2.605 0.000 2.156) 3.381 19.471 ( -0.625 0.000 1.505) 1.630 28.286 ( 0.966 0.000 2.891) 3.048 28.338 ( 2.064 0.000 -0.488) 2.121 28.480 ( -2.748 0.000 -2.111) 3.465 28.664 ( -3.053 0.000 1.199) 3.280 29.588 ( -0.849 0.000 -0.723) 1.115 30.172 ( 0.867 0.000 -0.431) 0.968 30.205 ( 4.054 0.000 4.429) 6.004 30.409 ( -3.627 0.000 1.403) 3.889 30.590 ( -7.227 0.000 -5.246) 8.930 30.808 ( -9.429 0.000 -4.580) 10.482 31.995 ( -0.782 0.000 4.951) 5.012 32.043 ( -5.884 0.000 -4.829) 7.612 32.460 ( 12.493 0.000 1.712) 12.610 32.601 ( 15.881 0.000 0.851) 15.903 33.555 ( 7.235 0.000 3.175) 7.901 34.481 ( 1.342 0.000 -4.614) 4.806 ======================= Grid point 5 (6/156) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.477 0.000 2.049) 2.103 2.344 ( -6.529 0.000 -11.208) 12.971 3.540 ( 4.696 0.000 2.459) 5.301 3.984 ( 0.249 0.000 -1.683) 1.702 4.096 ( 7.779 0.000 9.546) 12.314 4.380 ( -5.228 0.000 -7.254) 8.942 4.598 ( 14.216 0.000 -9.084) 16.871 4.958 ( -10.535 0.000 10.800) 15.087 5.225 ( -8.352 0.000 -9.136) 12.378 5.312 ( 5.197 0.000 4.776) 7.058 5.425 ( 2.201 0.000 -1.422) 2.620 5.700 ( -3.922 0.000 -8.495) 9.357 5.825 ( -5.489 0.000 1.716) 5.751 5.839 ( 3.666 0.000 0.577) 3.711 6.078 ( 4.583 0.000 -1.154) 4.726 6.223 ( 3.688 0.000 10.992) 11.594 6.559 ( -9.031 0.000 -10.163) 13.595 6.696 ( 0.567 0.000 0.358) 0.671 7.105 ( 4.605 0.000 -1.383) 4.808 7.366 ( 22.292 0.000 4.021) 22.652 7.579 ( 4.291 0.000 1.477) 4.538 7.712 ( 0.241 0.000 -0.224) 0.329 7.828 ( 25.994 0.000 -5.761) 26.625 7.922 ( 3.938 0.000 5.595) 6.842 8.027 ( -2.580 0.000 2.094) 3.323 8.202 ( -4.794 0.000 -0.544) 4.825 8.310 ( -6.535 0.000 -2.093) 6.862 9.138 ( -8.987 0.000 2.739) 9.395 9.243 ( -2.319 0.000 -2.396) 3.335 9.354 ( -3.738 0.000 6.763) 7.727 9.386 ( 0.534 0.000 -5.826) 5.851 9.652 ( -0.766 0.000 -0.507) 0.919 10.565 ( -2.002 0.000 2.662) 3.331 10.720 ( 2.950 0.000 3.922) 4.908 11.033 ( 0.883 0.000 -4.519) 4.604 11.173 ( 1.473 0.000 1.804) 2.329 11.206 ( 14.971 0.000 -4.643) 15.675 11.519 ( -22.272 0.000 3.453) 22.538 12.011 ( 1.226 0.000 0.248) 1.251 12.330 ( 1.761 0.000 0.961) 2.006 12.728 ( -2.164 0.000 1.561) 2.668 12.805 ( -0.637 0.000 -0.591) 0.869 13.172 ( -3.290 0.000 -0.455) 3.321 13.856 ( -2.780 0.000 -1.137) 3.004 13.939 ( 4.929 0.000 6.755) 8.362 14.094 ( -0.003 0.000 -2.578) 2.578 14.361 ( -0.813 0.000 0.198) 0.837 14.805 ( 4.681 0.000 0.968) 4.780 14.900 ( -3.460 0.000 -1.454) 3.753 14.988 ( 0.274 0.000 -0.367) 0.458 16.570 ( 0.445 0.000 -0.692) 0.823 16.706 ( -0.510 0.000 -0.841) 0.983 16.829 ( 1.125 0.000 0.783) 1.370 17.080 ( 1.600 0.000 -1.347) 2.091 17.259 ( -2.785 0.000 -2.820) 3.964 17.686 ( -0.174 0.000 -0.570) 0.596 18.043 ( -0.438 0.000 -0.039) 0.440 18.110 ( -1.834 0.000 1.012) 2.095 18.575 ( -0.502 0.000 1.805) 1.874 18.655 ( 0.442 0.000 -0.904) 1.007 18.763 ( -0.842 0.000 0.704) 1.097 19.468 ( -0.594 0.000 0.502) 0.778 28.341 ( 1.695 0.000 2.987) 3.434 28.369 ( 1.330 0.000 -0.117) 1.335 28.409 ( -2.325 0.000 -2.645) 3.522 28.625 ( -1.727 0.000 0.311) 1.755 29.573 ( -0.250 0.000 -0.267) 0.365 30.171 ( 0.041 0.000 -0.623) 0.624 30.295 ( 1.805 0.000 1.862) 2.593 30.386 ( -0.943 0.000 1.008) 1.381 30.458 ( -2.824 0.000 -1.902) 3.405 30.655 ( -3.311 0.000 -2.056) 3.897 31.923 ( -2.668 0.000 -1.917) 3.285 32.019 ( -0.478 0.000 1.828) 1.890 32.626 ( 4.487 0.000 0.492) 4.514 32.808 ( 5.935 0.000 0.429) 5.951 33.677 ( 2.967 0.000 1.398) 3.279 34.463 ( 0.372 0.000 -1.554) 1.598 ======================= Grid point 11 (7/156) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 36.563 0.000) 36.563 0.852 ( 0.000 41.774 0.000) 41.774 1.364 ( 0.000 63.616 0.000) 63.616 3.020 ( 0.000 -5.207 0.000) 5.207 3.450 ( 0.000 -3.747 0.000) 3.747 3.805 ( 0.000 -5.320 0.000) 5.320 3.911 ( 0.000 -22.736 0.000) 22.736 4.261 ( 0.000 6.364 0.000) 6.364 4.642 ( 0.000 8.219 0.000) 8.219 4.756 ( 0.000 -5.641 0.000) 5.641 5.009 ( 0.000 -3.369 0.000) 3.369 5.101 ( 0.000 6.030 0.000) 6.030 5.472 ( 0.000 -2.369 0.000) 2.369 5.567 ( 0.000 23.956 0.000) 23.956 6.139 ( 0.000 -8.415 0.000) 8.415 6.253 ( 0.000 -8.523 0.000) 8.523 6.468 ( 0.000 -2.275 0.000) 2.275 6.570 ( 0.000 -6.161 0.000) 6.161 6.963 ( 0.000 -20.794 0.000) 20.794 7.111 ( 0.000 -5.634 0.000) 5.634 7.289 ( 0.000 7.967 0.000) 7.967 7.741 ( 0.000 6.881 0.000) 6.881 7.814 ( 0.000 -1.311 0.000) 1.311 8.098 ( 0.000 -4.026 0.000) 4.026 8.175 ( 0.000 3.512 0.000) 3.512 8.293 ( 0.000 6.163 0.000) 6.163 8.790 ( 0.000 0.993 0.000) 0.993 8.820 ( 0.000 5.298 0.000) 5.298 9.343 ( 0.000 -3.860 0.000) 3.860 9.525 ( 0.000 3.464 0.000) 3.464 9.532 ( 0.000 -6.616 0.000) 6.616 10.184 ( 0.000 -15.775 0.000) 15.775 10.334 ( 0.000 -3.037 0.000) 3.037 10.349 ( 0.000 1.946 0.000) 1.946 10.697 ( 0.000 6.773 0.000) 6.773 10.710 ( 0.000 7.288 0.000) 7.288 11.205 ( 0.000 -6.763 0.000) 6.763 11.254 ( 0.000 -2.306 0.000) 2.306 12.262 ( 0.000 5.541 0.000) 5.541 12.357 ( 0.000 9.367 0.000) 9.367 12.462 ( 0.000 7.974 0.000) 7.974 13.024 ( 0.000 -6.643 0.000) 6.643 13.649 ( 0.000 -7.143 0.000) 7.143 13.809 ( 0.000 -5.039 0.000) 5.039 13.902 ( 0.000 3.498 0.000) 3.498 13.986 ( 0.000 3.144 0.000) 3.144 14.488 ( 0.000 1.585 0.000) 1.585 14.716 ( 0.000 -1.132 0.000) 1.132 15.073 ( 0.000 -0.457 0.000) 0.457 15.284 ( 0.000 -2.834 0.000) 2.834 16.493 ( 0.000 0.635 0.000) 0.635 16.533 ( 0.000 0.554 0.000) 0.554 16.644 ( 0.000 2.715 0.000) 2.715 17.060 ( 0.000 -5.210 0.000) 5.210 17.885 ( 0.000 -3.140 0.000) 3.140 17.973 ( 0.000 0.731 0.000) 0.731 18.178 ( 0.000 10.369 0.000) 10.369 18.401 ( 0.000 1.282 0.000) 1.282 18.666 ( 0.000 -2.135 0.000) 2.135 18.815 ( 0.000 -1.088 0.000) 1.088 18.894 ( 0.000 1.726 0.000) 1.726 19.205 ( 0.000 -4.487 0.000) 4.487 28.349 ( 0.000 0.278 0.000) 0.278 28.440 ( 0.000 3.813 0.000) 3.813 28.574 ( 0.000 -2.762 0.000) 2.762 28.689 ( 0.000 -0.612 0.000) 0.612 29.731 ( 0.000 2.489 0.000) 2.489 30.055 ( 0.000 -2.310 0.000) 2.310 30.880 ( 0.000 1.450 0.000) 1.450 31.154 ( 0.000 0.099 0.000) 0.099 31.228 ( 0.000 -4.666 0.000) 4.666 31.311 ( 0.000 -0.352 0.000) 0.352 31.465 ( 0.000 -0.324 0.000) 0.324 31.601 ( 0.000 -4.077 0.000) 4.077 32.008 ( 0.000 14.710 0.000) 14.710 32.319 ( 0.000 2.712 0.000) 2.712 32.707 ( 0.000 -1.630 0.000) 1.630 33.290 ( 0.000 -7.408 0.000) 7.408 ======================= Grid point 12 (8/156) ======================= q-point: ( 0.09 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 10.074 33.934 12.701) 37.607 1.207 ( 27.113 30.491 7.663) 41.516 2.029 ( 53.476 35.074 21.213) 67.379 3.297 ( 32.299 -5.042 -8.197) 33.703 3.791 ( 28.278 -6.148 6.098) 29.574 3.899 ( 4.138 -19.395 -4.713) 20.384 3.934 ( 16.191 -2.886 -2.529) 16.640 4.306 ( 10.389 4.391 -6.897) 13.221 4.706 ( 4.034 -1.328 -0.508) 4.278 4.770 ( 3.820 3.057 2.963) 5.719 5.030 ( -4.303 6.687 -4.811) 9.294 5.116 ( 8.204 -4.549 4.839) 10.555 5.411 ( 1.326 1.387 -10.957) 11.124 5.585 ( 3.905 17.607 -3.070) 18.294 6.148 ( 1.532 -5.454 -3.451) 6.633 6.232 ( -4.177 -9.359 7.062) 12.446 6.335 ( -9.595 -1.340 -12.855) 16.097 6.493 ( -0.638 -7.450 -4.188) 8.570 6.787 ( -16.085 6.038 -2.514) 17.364 6.972 ( -4.518 -15.292 -0.521) 15.954 7.273 ( -5.502 -3.053 -4.005) 7.459 7.812 ( 2.343 8.480 -0.624) 8.820 7.932 ( 9.081 -1.414 6.943) 11.518 8.046 ( -3.513 -4.418 -2.297) 6.094 8.171 ( -6.287 2.516 4.877) 8.345 8.402 ( 8.813 2.070 -3.999) 9.897 8.680 ( -15.545 -1.663 3.882) 16.109 8.865 ( -0.694 1.626 10.228) 10.379 9.251 ( 3.790 2.627 -3.702) 5.914 9.550 ( 1.153 0.185 9.234) 9.307 9.769 ( -13.863 -9.681 33.006) 37.085 9.918 ( -17.268 0.775 -1.289) 17.333 10.322 ( 0.449 -5.940 2.415) 6.428 10.508 ( 3.709 0.207 3.033) 4.795 10.752 ( 7.660 2.484 -3.598) 8.819 10.871 ( 15.193 3.769 -2.537) 15.857 11.204 ( 2.262 -6.101 4.849) 8.115 11.464 ( 12.552 -8.747 -5.734) 16.338 12.010 ( -9.537 13.826 -5.758) 17.756 12.354 ( -2.117 6.190 -1.165) 6.645 12.472 ( 7.856 3.339 -6.567) 10.769 13.237 ( -5.959 -6.140 17.857) 19.801 13.654 ( 2.594 -10.271 -5.702) 12.031 13.755 ( -4.681 -4.528 -1.160) 6.615 13.789 ( -4.341 1.360 -0.237) 4.556 14.166 ( 11.792 -10.676 -9.387) 18.470 14.498 ( 0.162 1.136 0.597) 1.293 14.764 ( 7.165 -2.603 -5.472) 9.384 15.078 ( 1.410 0.387 -2.527) 2.920 15.252 ( -3.912 -2.610 0.774) 4.766 16.462 ( 1.336 -2.211 -0.342) 2.606 16.597 ( 1.881 -1.071 2.374) 3.213 16.677 ( 3.630 2.944 -0.058) 4.674 17.018 ( -1.219 0.324 -3.683) 3.893 17.887 ( 0.465 -2.560 -1.144) 2.842 17.910 ( -4.205 1.238 -4.021) 5.948 18.152 ( -12.156 9.362 6.599) 16.702 18.300 ( -1.655 11.514 -14.137) 18.308 18.465 ( -4.704 6.276 1.548) 7.995 18.692 ( -2.351 -3.900 1.102) 4.686 18.917 ( -3.799 3.036 4.440) 6.585 19.254 ( 3.904 -3.156 1.537) 5.250 28.298 ( -3.371 3.532 -0.510) 4.909 28.388 ( -1.381 4.277 -2.232) 5.018 28.606 ( -0.658 -3.588 4.036) 5.440 28.673 ( -1.189 -0.594 -0.518) 1.426 29.718 ( -1.322 2.451 -0.206) 2.793 30.054 ( 0.066 -2.351 0.042) 2.353 30.364 ( -22.223 28.150 -12.576) 38.005 30.798 ( -13.257 1.236 3.857) 13.862 31.185 ( -4.982 -1.014 -0.581) 5.117 31.320 ( 7.037 -2.443 -0.117) 7.450 31.425 ( 10.373 2.580 1.532) 10.799 31.650 ( 0.021 -3.370 0.919) 3.493 32.036 ( 1.793 14.677 3.240) 15.137 32.347 ( 5.533 4.922 -4.032) 8.432 33.264 ( -2.545 -7.220 0.266) 7.660 33.847 ( 41.780 -43.852 2.676) 60.628 ======================= Grid point 13 (9/156) ======================= q-point: ( 0.18 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 8.837 24.344 14.302) 29.585 1.813 ( 27.795 22.514 14.654) 38.655 3.262 ( 50.920 9.447 18.622) 55.035 3.650 ( 10.421 -11.744 -11.206) 19.290 4.051 ( 15.240 4.472 -9.745) 18.633 4.090 ( 11.172 -4.568 -0.962) 12.108 4.381 ( 24.171 -9.893 -4.507) 26.503 4.692 ( 26.560 -1.543 4.599) 27.000 4.780 ( 20.862 -2.705 -3.715) 21.362 4.903 ( 1.607 8.348 -4.544) 9.639 4.973 ( 12.913 1.947 1.502) 13.145 5.327 ( 2.717 -2.753 -9.977) 10.700 5.364 ( 16.630 -5.317 -5.060) 18.178 5.624 ( 6.069 10.665 -4.898) 13.213 5.855 ( -14.867 8.749 -17.220) 24.374 6.181 ( -0.729 -7.934 5.015) 9.415 6.322 ( 6.226 -7.203 4.356) 10.470 6.494 ( 1.087 -0.670 -1.664) 2.098 6.619 ( -3.206 7.735 6.802) 10.788 6.751 ( -12.889 -8.399 -9.288) 17.970 7.178 ( 1.882 -9.049 -4.513) 10.286 7.810 ( -9.271 -2.326 0.921) 9.603 7.884 ( -6.095 5.284 -1.025) 8.131 8.059 ( -7.037 1.169 2.764) 7.651 8.114 ( -1.897 -1.125 3.710) 4.316 8.447 ( -9.820 -1.499 1.057) 9.990 8.472 ( 5.284 6.475 -5.720) 10.128 8.965 ( -0.741 -2.713 11.592) 11.928 9.378 ( 5.300 -0.038 5.763) 7.829 9.570 ( -8.746 2.791 0.113) 9.182 9.677 ( -11.597 -4.418 14.599) 19.161 9.829 ( -5.565 1.985 8.655) 10.480 10.335 ( -2.102 -4.661 3.595) 6.250 10.590 ( -0.291 4.139 7.789) 8.825 10.856 ( 9.807 0.022 -8.154) 12.754 11.016 ( 3.235 -2.880 -0.385) 4.348 11.394 ( 3.454 -3.213 4.371) 6.431 11.490 ( 8.810 1.681 -8.019) 12.031 11.943 ( 7.050 7.558 -4.331) 11.206 12.320 ( -3.508 0.781 1.270) 3.812 12.525 ( 3.245 -3.248 -1.752) 4.914 13.165 ( -15.420 0.709 9.020) 17.879 13.578 ( -4.491 -7.748 -3.635) 9.665 13.654 ( -3.894 -0.282 -1.772) 4.287 13.761 ( 0.497 -8.426 -0.372) 8.449 14.202 ( 3.451 -5.317 -4.360) 7.694 14.480 ( -2.760 0.996 0.045) 2.935 14.789 ( 2.785 1.299 -6.145) 6.871 15.055 ( -0.129 1.389 -3.801) 4.049 15.181 ( -4.228 0.152 0.535) 4.265 16.527 ( 3.690 -5.213 1.820) 6.641 16.637 ( 0.628 -1.581 1.068) 2.008 16.755 ( 4.418 2.610 -0.157) 5.134 16.979 ( 2.469 4.927 -4.553) 7.148 17.754 ( -7.763 2.716 -2.913) 8.725 17.851 ( 0.442 1.058 -9.022) 9.094 17.999 ( -4.263 0.376 1.970) 4.711 18.271 ( -1.432 7.877 3.122) 8.593 18.469 ( -0.324 1.509 3.585) 3.903 18.660 ( -2.793 -4.605 1.585) 5.615 18.888 ( -4.272 3.432 4.046) 6.812 19.348 ( 3.567 -2.516 2.359) 4.961 28.261 ( -1.425 3.046 1.339) 3.620 28.351 ( -0.636 2.751 -1.427) 3.164 28.601 ( -2.514 -1.938 -0.052) 3.175 28.661 ( -1.022 -2.155 2.370) 3.362 29.682 ( -2.028 2.411 -0.517) 3.193 30.064 ( 0.933 -1.987 0.481) 2.247 30.139 ( -3.165 12.968 1.297) 13.412 30.623 ( -8.407 -0.363 -0.750) 8.448 31.040 ( -7.738 0.690 -4.833) 9.149 31.278 ( -10.027 -3.143 0.040) 10.508 31.675 ( 12.737 -2.285 -1.963) 13.088 31.758 ( 10.104 -5.770 3.063) 12.032 32.163 ( 8.032 14.157 4.794) 16.968 32.420 ( 7.283 11.863 -3.990) 14.481 33.243 ( 0.657 -6.524 1.253) 6.676 34.249 ( 13.762 -25.033 -6.265) 29.245 ======================= Grid point 14 (10/156) ======================= q-point: ( 0.27 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 4.443 17.980 9.953) 21.026 2.486 ( 28.753 15.295 14.645) 35.709 3.407 ( -9.024 -5.747 -22.407) 24.830 3.951 ( 7.315 -0.490 -7.098) 10.204 4.171 ( 8.562 -0.739 -1.702) 8.761 4.259 ( 9.098 -10.203 8.166) 15.924 4.527 ( -2.574 4.741 -5.310) 7.569 4.939 ( 6.962 -4.893 -1.011) 8.570 5.076 ( 7.532 -4.256 0.684) 8.679 5.194 ( 13.985 -0.717 3.140) 14.351 5.233 ( 11.575 -4.426 -5.256) 13.461 5.424 ( 8.269 7.324 -5.662) 12.413 5.619 ( 20.406 -4.198 -8.767) 22.603 5.741 ( 26.824 2.271 -5.247) 27.427 5.788 ( 22.189 4.889 -0.965) 22.741 6.223 ( -6.344 -1.786 4.421) 7.936 6.420 ( 7.284 2.098 -11.015) 13.371 6.538 ( 2.166 -2.624 6.658) 7.477 6.600 ( 17.655 -0.486 -5.454) 18.485 6.749 ( 3.430 6.908 7.719) 10.912 7.212 ( 6.437 -5.347 -4.335) 9.424 7.493 ( -17.124 -4.884 0.838) 17.827 7.875 ( -11.497 7.097 11.176) 17.534 7.914 ( 3.589 5.507 -10.446) 12.342 8.071 ( -6.151 -5.775 3.467) 9.122 8.358 ( -1.808 1.525 -1.152) 2.630 8.481 ( 1.458 6.769 -3.827) 7.911 9.080 ( 0.899 -5.316 8.261) 9.865 9.398 ( -8.975 -2.217 2.663) 9.621 9.496 ( -0.274 1.839 3.586) 4.039 9.594 ( -11.636 -2.254 6.049) 13.307 9.807 ( -3.306 4.924 2.622) 6.484 10.346 ( -2.108 -3.462 5.408) 6.758 10.677 ( 0.835 3.910 8.255) 9.172 10.914 ( 7.430 -1.673 -8.708) 11.569 11.033 ( -1.244 -3.092 1.173) 3.533 11.307 ( -1.666 5.146 -6.529) 8.478 11.746 ( 12.722 -0.903 3.408) 13.202 12.065 ( 8.596 -0.464 -3.433) 9.268 12.197 ( -12.486 0.161 1.357) 12.560 12.559 ( 0.641 -9.473 2.006) 9.705 12.951 ( -15.065 -4.691 4.177) 16.322 13.442 ( -7.087 -3.955 -1.813) 8.316 13.628 ( 0.926 3.753 3.047) 4.922 13.772 ( 2.152 -10.935 -2.280) 11.375 14.240 ( 2.486 -1.003 1.539) 3.091 14.407 ( -4.467 4.202 -0.669) 6.169 14.777 ( 2.861 4.664 -3.763) 6.641 15.004 ( -0.863 1.700 -3.437) 3.931 15.123 ( -2.372 3.232 -0.272) 4.019 16.601 ( 1.711 -3.229 1.042) 3.800 16.648 ( 1.091 -0.521 -0.220) 1.229 16.814 ( 1.782 3.941 0.962) 4.431 17.006 ( 5.562 2.806 -5.189) 8.108 17.585 ( -6.881 2.048 -4.580) 8.516 17.753 ( -0.659 0.492 -6.913) 6.962 17.989 ( -0.673 -3.683 1.954) 4.223 18.255 ( -5.067 4.306 4.350) 7.946 18.510 ( 0.039 0.208 4.028) 4.033 18.633 ( -1.174 -4.323 0.114) 4.481 18.856 ( -3.680 4.509 3.411) 6.746 19.414 ( 0.857 -3.183 2.246) 3.989 28.266 ( -0.324 1.869 2.292) 2.975 28.338 ( 0.513 1.918 -0.702) 2.106 28.542 ( -2.796 -0.883 -1.409) 3.253 28.662 ( -1.934 -2.741 2.189) 4.005 29.641 ( -1.744 2.331 -0.661) 2.985 30.095 ( 1.028 -3.953 1.221) 4.263 30.162 ( 1.993 6.698 2.838) 7.543 30.487 ( -5.918 -0.433 -0.309) 5.941 30.823 ( -9.021 1.596 -6.432) 11.194 31.043 ( -12.772 -1.876 -3.345) 13.335 31.818 ( 4.220 -7.327 1.819) 8.649 31.925 ( 4.412 -10.560 -1.262) 11.514 32.423 ( 14.929 12.732 3.820) 19.990 32.534 ( 9.237 19.301 -1.020) 21.422 33.339 ( 7.328 -4.974 2.680) 9.253 34.345 ( 5.977 -15.379 -5.892) 17.520 ======================= Grid point 15 (11/156) ======================= q-point: ( 0.36 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.544 14.374 5.650) 15.522 2.838 ( -7.736 12.441 -19.857) 24.676 3.205 ( 18.405 -1.429 5.879) 19.373 3.933 ( 1.942 -4.112 -0.226) 4.553 4.107 ( -11.444 1.389 -0.067) 11.528 4.353 ( 14.078 -0.597 -8.593) 16.505 4.678 ( -3.273 -0.294 -2.281) 4.001 4.765 ( -0.009 -15.493 -3.219) 15.824 5.056 ( -5.723 -5.706 2.763) 8.541 5.342 ( 6.482 -2.174 -1.205) 6.942 5.387 ( 0.566 -5.984 -5.476) 8.131 5.588 ( 5.515 -10.201 5.831) 12.980 5.742 ( 4.849 2.240 -5.123) 7.401 5.961 ( 2.401 -5.457 -4.610) 7.536 6.065 ( 3.498 11.026 4.407) 12.378 6.408 ( 2.256 12.933 -3.714) 13.643 6.552 ( 18.809 -0.135 1.361) 18.859 6.740 ( 13.452 -1.934 2.561) 13.829 6.810 ( 8.044 5.350 -2.728) 10.038 7.030 ( 25.523 7.765 -1.532) 26.722 7.331 ( 16.159 -1.369 -2.215) 16.367 7.447 ( 9.340 -0.818 4.085) 10.227 7.757 ( -1.794 2.405 -4.336) 5.273 7.918 ( -5.303 7.122 8.557) 12.331 8.028 ( 0.521 -2.606 -0.668) 2.740 8.330 ( 0.152 2.746 -3.652) 4.572 8.461 ( -0.949 6.685 -0.138) 6.754 9.137 ( -3.326 -8.031 4.463) 9.772 9.295 ( -4.207 -2.410 1.469) 5.066 9.406 ( -10.868 -1.506 2.164) 11.183 9.493 ( -2.787 3.489 -1.999) 4.892 9.762 ( -4.242 4.972 1.681) 6.748 10.367 ( -1.797 -6.240 5.044) 8.222 10.798 ( 2.507 2.749 7.728) 8.577 10.964 ( 8.009 0.939 -6.968) 10.657 11.012 ( -0.218 -4.787 -1.995) 5.191 11.249 ( 0.561 5.557 -2.377) 6.071 11.871 ( -16.964 -2.471 2.681) 17.352 11.972 ( 1.504 2.681 1.278) 3.330 12.161 ( 4.942 -7.908 -0.562) 9.342 12.588 ( -1.003 -11.416 2.551) 11.740 12.742 ( -10.611 -11.367 0.751) 15.568 13.305 ( -6.269 1.329 -1.118) 6.505 13.705 ( 1.293 -5.513 2.511) 6.194 13.820 ( 5.143 -0.949 2.274) 5.703 14.278 ( -3.005 -7.600 2.340) 8.501 14.358 ( 1.936 15.789 -0.392) 15.912 14.814 ( 3.948 4.127 -1.943) 6.032 14.965 ( -0.121 4.336 -1.654) 4.643 15.090 ( -1.012 5.342 -0.031) 5.437 16.593 ( -0.245 0.580 -2.039) 2.133 16.693 ( 2.108 -1.014 0.574) 2.408 16.843 ( 0.630 4.031 0.629) 4.128 17.043 ( 3.789 -0.392 -4.017) 5.536 17.414 ( -6.043 2.281 -5.162) 8.268 17.690 ( -0.439 -1.415 -3.148) 3.479 18.002 ( 0.334 -2.980 1.110) 3.197 18.189 ( -6.263 1.979 3.072) 7.251 18.547 ( -0.616 -0.610 3.578) 3.682 18.623 ( 0.679 -3.333 -1.200) 3.607 18.833 ( -2.324 5.134 2.188) 6.045 19.429 ( -1.091 -4.085 1.407) 4.456 28.295 ( 0.555 0.894 2.550) 2.759 28.353 ( 1.370 1.231 0.075) 1.843 28.477 ( -2.385 -0.172 -1.952) 3.086 28.638 ( -2.597 -2.353 1.123) 3.680 29.610 ( -0.982 2.288 -0.501) 2.540 30.114 ( 0.400 -5.340 -0.108) 5.356 30.245 ( 3.053 3.527 3.149) 5.628 30.411 ( -3.153 0.113 1.075) 3.334 30.609 ( -7.350 1.746 -5.043) 9.083 30.794 ( -9.376 -1.381 -4.568) 10.521 31.865 ( -0.739 -9.498 -0.644) 9.549 31.915 ( -1.472 -8.624 0.377) 8.757 32.702 ( 8.993 17.941 2.252) 20.195 32.729 ( 13.652 11.251 0.662) 17.703 33.519 ( 8.026 -3.442 2.940) 9.214 34.366 ( 2.701 -10.994 -3.904) 11.975 ======================= Grid point 16 (12/156) ======================= q-point: ( 0.45 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.542 13.587 2.352) 13.800 2.477 ( -6.381 12.157 -11.087) 17.647 3.475 ( 4.597 -6.823 0.575) 8.247 3.994 ( -2.309 2.572 2.177) 4.085 4.166 ( 12.061 5.194 10.517) 16.824 4.308 ( -4.760 -4.842 -8.608) 10.964 4.592 ( 9.440 -4.726 -11.227) 15.410 4.862 ( -3.944 -10.839 13.003) 17.382 4.972 ( -4.057 -15.152 -3.554) 16.083 5.144 ( -9.602 -7.662 -8.112) 14.721 5.430 ( 3.963 0.355 0.589) 4.022 5.678 ( -2.169 -7.921 -1.147) 8.293 5.825 ( 6.207 -2.350 3.572) 7.537 5.915 ( -0.528 2.441 -2.622) 3.621 6.184 ( 1.599 10.607 0.090) 10.727 6.332 ( -0.704 11.028 5.132) 12.184 6.592 ( -4.885 4.094 -4.685) 7.910 6.752 ( -0.210 3.982 -1.318) 4.200 7.114 ( 7.524 1.826 -2.654) 8.185 7.367 ( 9.427 -5.829 5.451) 12.351 7.571 ( 2.781 6.234 0.234) 6.830 7.790 ( 24.265 2.988 -6.181) 25.218 7.866 ( 17.021 3.336 -2.622) 17.542 7.940 ( -1.882 3.254 9.412) 10.135 8.043 ( -1.312 2.525 0.722) 2.936 8.273 ( -3.220 5.764 -0.637) 6.633 8.386 ( -6.675 7.208 -1.634) 9.959 9.065 ( -6.034 -6.603 1.463) 9.064 9.226 ( -3.383 -1.622 -1.466) 4.028 9.327 ( -1.624 -2.205 4.623) 5.373 9.405 ( -2.343 2.304 -3.998) 5.175 9.712 ( -1.732 4.525 0.108) 4.847 10.391 ( -0.410 -8.758 2.545) 9.130 10.901 ( 0.436 3.052 5.326) 6.154 10.984 ( 0.506 -4.779 -2.522) 5.428 11.063 ( 9.108 2.708 -5.534) 10.996 11.276 ( 4.443 -0.728 -0.830) 4.579 11.529 ( -19.231 2.052 3.734) 19.698 12.007 ( 0.105 -0.653 0.007) 0.661 12.271 ( 6.695 -6.571 -0.121) 9.382 12.500 ( -9.180 -16.298 1.776) 18.790 12.668 ( 0.556 -13.303 -0.322) 13.319 13.206 ( -3.026 3.156 -0.665) 4.422 13.719 ( -0.025 -6.956 0.018) 6.956 13.955 ( 3.603 0.561 3.176) 4.836 14.234 ( -1.900 -2.712 0.271) 3.322 14.404 ( 1.568 14.472 0.288) 14.560 14.846 ( 1.315 0.279 -1.120) 1.750 14.964 ( 0.569 9.052 -0.235) 9.073 15.088 ( 0.047 7.097 0.664) 7.128 16.579 ( 0.368 0.933 -0.775) 1.267 16.710 ( 0.143 0.204 -0.644) 0.691 16.856 ( 0.308 2.395 0.337) 2.438 17.054 ( 1.047 -2.227 -1.591) 2.930 17.289 ( -2.597 2.991 -2.301) 4.581 17.665 ( -0.172 -2.074 -0.805) 2.231 18.027 ( 1.517 -1.057 0.202) 1.860 18.115 ( -4.017 0.110 1.281) 4.217 18.565 ( -0.382 -1.003 1.413) 1.774 18.625 ( 0.557 -2.538 -0.671) 2.684 18.820 ( -0.781 5.228 0.726) 5.336 19.419 ( -0.748 -4.635 0.441) 4.716 28.337 ( 1.243 -0.136 1.903) 2.277 28.375 ( 0.164 0.058 0.432) 0.466 28.421 ( -1.029 1.381 -1.969) 2.616 28.605 ( -1.474 -1.785 0.310) 2.336 29.595 ( -0.290 2.304 -0.179) 2.329 30.113 ( -0.012 -5.418 -0.349) 5.429 30.316 ( 1.510 1.843 1.553) 2.844 30.387 ( -0.925 0.221 0.686) 1.173 30.477 ( -2.798 1.653 -1.907) 3.768 30.639 ( -3.395 -1.456 -2.099) 4.249 31.809 ( -1.684 -8.288 -1.416) 8.575 31.920 ( -0.299 -8.250 1.190) 8.340 32.829 ( 3.518 16.900 0.411) 17.267 32.918 ( 5.334 9.283 0.701) 10.729 33.649 ( 3.227 -2.735 1.290) 4.423 34.368 ( 0.779 -9.176 -1.362) 9.309 ======================= Grid point 22 (13/156) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 33.771 0.000) 33.771 1.682 ( 0.000 40.181 0.000) 40.181 2.314 ( 0.000 15.950 0.000) 15.950 2.940 ( 0.000 -0.873 0.000) 0.873 3.353 ( 0.000 -22.559 0.000) 22.559 3.370 ( 0.000 -3.611 0.000) 3.611 3.827 ( 0.000 12.398 0.000) 12.398 4.423 ( 0.000 8.909 0.000) 8.909 4.703 ( 0.000 -2.614 0.000) 2.614 4.841 ( 0.000 8.786 0.000) 8.786 4.957 ( 0.000 -0.468 0.000) 0.468 5.152 ( 0.000 -8.601 0.000) 8.601 5.429 ( 0.000 -0.170 0.000) 0.170 5.871 ( 0.000 -11.252 0.000) 11.252 5.948 ( 0.000 -18.019 0.000) 18.019 5.997 ( 0.000 15.408 0.000) 15.408 6.295 ( 0.000 -11.627 0.000) 11.627 6.600 ( 0.000 -13.231 0.000) 13.231 6.609 ( 0.000 7.206 0.000) 7.206 6.959 ( 0.000 -8.829 0.000) 8.829 7.479 ( 0.000 10.237 0.000) 10.237 7.783 ( 0.000 2.683 0.000) 2.683 7.826 ( 0.000 -3.173 0.000) 3.173 8.001 ( 0.000 -5.558 0.000) 5.558 8.303 ( 0.000 8.380 0.000) 8.380 8.412 ( 0.000 4.453 0.000) 4.453 8.850 ( 0.000 5.079 0.000) 5.079 8.917 ( 0.000 3.634 0.000) 3.634 9.259 ( 0.000 -3.869 0.000) 3.869 9.376 ( 0.000 -8.092 0.000) 8.092 9.586 ( 0.000 2.639 0.000) 2.639 9.871 ( 0.000 -13.955 0.000) 13.955 10.304 ( 0.000 0.329 0.000) 0.329 10.367 ( 0.000 -0.496 0.000) 0.496 10.809 ( 0.000 4.955 0.000) 4.955 10.875 ( 0.000 8.590 0.000) 8.590 11.054 ( 0.000 -7.456 0.000) 7.456 11.179 ( 0.000 -5.263 0.000) 5.263 12.419 ( 0.000 9.524 0.000) 9.524 12.567 ( 0.000 9.943 0.000) 9.943 12.645 ( 0.000 8.405 0.000) 8.405 12.853 ( 0.000 -9.716 0.000) 9.716 13.514 ( 0.000 -4.925 0.000) 4.925 13.663 ( 0.000 -8.767 0.000) 8.767 13.975 ( 0.000 3.264 0.000) 3.264 14.029 ( 0.000 0.922 0.000) 0.922 14.537 ( 0.000 3.240 0.000) 3.240 14.678 ( 0.000 -2.659 0.000) 2.659 15.081 ( 0.000 1.431 0.000) 1.431 15.211 ( 0.000 -4.079 0.000) 4.079 16.512 ( 0.000 1.129 0.000) 1.129 16.541 ( 0.000 0.086 0.000) 0.086 16.716 ( 0.000 4.292 0.000) 4.292 16.936 ( 0.000 -6.420 0.000) 6.420 17.866 ( 0.000 0.984 0.000) 0.984 17.964 ( 0.000 -1.824 0.000) 1.824 18.399 ( 0.000 10.993 0.000) 10.993 18.449 ( 0.000 3.343 0.000) 3.343 18.612 ( 0.000 -3.045 0.000) 3.045 18.765 ( 0.000 -4.365 0.000) 4.365 18.937 ( 0.000 2.453 0.000) 2.453 19.093 ( 0.000 -5.798 0.000) 5.798 28.373 ( 0.000 2.117 0.000) 2.117 28.505 ( 0.000 -3.760 0.000) 3.760 28.526 ( 0.000 4.360 0.000) 4.360 28.663 ( 0.000 -2.033 0.000) 2.033 29.801 ( 0.000 4.303 0.000) 4.303 29.989 ( 0.000 -4.085 0.000) 4.085 30.922 ( 0.000 2.687 0.000) 2.687 31.085 ( 0.000 -5.351 0.000) 5.351 31.209 ( 0.000 1.799 0.000) 1.799 31.294 ( 0.000 -1.485 0.000) 1.485 31.466 ( 0.000 0.639 0.000) 0.639 31.537 ( 0.000 -2.571 0.000) 2.571 32.315 ( 0.000 13.973 0.000) 13.973 32.390 ( 0.000 3.937 0.000) 3.937 32.676 ( 0.000 -0.252 0.000) 0.252 33.080 ( 0.000 -12.883 0.000) 12.883 ======================= Grid point 23 (14/156) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 6.866 37.126 4.216) 37.990 1.819 ( 28.448 29.641 1.720) 41.120 2.634 ( 27.257 9.470 10.337) 30.651 3.120 ( 14.816 -17.522 -3.141) 23.160 3.495 ( 22.241 -6.928 0.316) 23.297 3.671 ( 25.914 -5.524 4.538) 26.882 4.003 ( 18.656 15.104 0.533) 24.010 4.456 ( 8.142 9.223 -7.018) 14.163 4.699 ( 0.586 -0.295 0.706) 0.964 4.901 ( 5.298 6.363 -0.173) 8.282 5.019 ( 7.793 -3.730 -0.812) 8.678 5.132 ( 0.074 -2.401 -4.133) 4.780 5.404 ( 1.141 1.047 -6.347) 6.533 5.850 ( -4.425 -8.519 -11.099) 14.674 5.901 ( 4.138 -12.229 -0.406) 12.917 5.989 ( 1.459 -0.202 1.193) 1.895 6.292 ( -1.068 -8.374 -2.419) 8.782 6.432 ( -6.656 1.964 -6.658) 9.617 6.641 ( -2.795 -6.473 4.476) 8.351 6.846 ( -9.215 -4.059 -1.517) 10.183 7.321 ( -12.572 7.594 -3.433) 15.083 7.776 ( -6.656 -10.171 1.007) 12.197 7.953 ( 9.190 2.705 5.898) 11.250 8.049 ( 6.757 1.538 -3.454) 7.742 8.269 ( -7.399 7.528 4.941) 11.655 8.431 ( -0.125 0.392 0.806) 0.905 8.740 ( -8.799 6.251 -1.019) 10.842 8.887 ( -3.735 0.286 3.344) 5.022 9.251 ( 2.169 -1.149 0.513) 2.507 9.459 ( -3.561 -9.765 14.344) 17.714 9.664 ( -0.090 0.985 9.601) 9.652 9.873 ( -1.338 -5.705 1.874) 6.153 10.267 ( -0.388 2.114 0.044) 2.149 10.478 ( 5.948 -3.928 2.625) 7.596 10.817 ( 0.407 4.110 2.878) 5.034 10.968 ( 7.075 4.290 -5.039) 9.688 11.081 ( 6.260 -4.117 4.549) 8.766 11.312 ( 14.696 -7.210 -6.509) 17.616 12.294 ( -7.737 14.112 -3.901) 16.559 12.514 ( -6.302 7.884 -4.198) 10.932 12.566 ( 5.606 5.108 -12.037) 14.227 12.965 ( -5.188 -15.984 15.502) 22.863 13.516 ( 2.639 -3.842 -4.068) 6.187 13.628 ( -3.635 -7.308 0.336) 8.169 13.897 ( -6.145 6.743 0.151) 9.125 14.075 ( 2.494 -2.418 0.001) 3.474 14.548 ( 0.653 3.467 -0.015) 3.528 14.697 ( 3.666 -3.448 -2.372) 5.564 15.087 ( 1.707 0.875 -1.840) 2.658 15.191 ( -1.953 -3.488 0.274) 4.007 16.473 ( -0.881 2.027 -0.948) 2.405 16.569 ( 0.750 -1.859 1.072) 2.274 16.753 ( 3.521 4.412 0.295) 5.652 16.953 ( 2.240 -4.892 -0.690) 5.425 17.861 ( 0.625 0.441 -2.246) 2.373 17.927 ( -2.116 -0.557 -3.317) 3.974 18.316 ( -12.629 7.269 3.752) 15.047 18.447 ( 0.898 6.127 -4.099) 7.426 18.539 ( -9.544 -1.274 2.626) 9.980 18.622 ( -2.235 -2.303 -4.217) 5.299 18.978 ( -1.823 3.133 4.621) 5.873 19.160 ( 4.289 -5.566 3.295) 7.761 28.356 ( -1.995 2.869 0.570) 3.540 28.459 ( -2.455 1.003 -1.350) 2.976 28.552 ( -0.037 -0.433 2.160) 2.203 28.648 ( -1.136 -1.952 -0.669) 2.355 29.788 ( -1.424 4.345 0.007) 4.573 29.983 ( -0.739 -4.378 0.527) 4.471 30.712 ( -13.539 8.018 -13.675) 20.847 30.824 ( -15.708 0.639 -0.461) 15.728 31.187 ( -5.835 1.466 1.657) 6.241 31.271 ( 1.015 -2.188 -0.120) 2.415 31.488 ( 8.456 3.333 1.737) 9.254 31.599 ( 0.926 -2.154 0.976) 2.540 32.362 ( 3.115 16.715 0.690) 17.017 32.491 ( 12.379 9.115 -2.842) 15.633 33.060 ( -2.508 -12.428 1.574) 12.776 33.172 ( 32.564 -23.949 7.060) 41.034 ======================= Grid point 24 (15/156) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 6.386 31.320 5.133) 32.374 2.335 ( 23.673 26.593 7.725) 36.431 3.211 ( 8.792 -21.006 -3.230) 22.999 3.334 ( 22.595 -15.022 14.035) 30.548 4.072 ( 24.291 2.989 -4.421) 24.870 4.252 ( 39.535 4.216 5.864) 40.189 4.309 ( 11.407 12.343 -13.315) 21.442 4.658 ( 19.970 2.724 -1.859) 20.241 4.738 ( 3.141 -3.024 -0.142) 4.362 4.991 ( 3.095 0.663 -2.768) 4.205 5.094 ( 15.376 5.596 -3.318) 16.696 5.243 ( 9.400 -1.276 -2.094) 9.714 5.361 ( 12.866 3.587 -14.581) 19.774 5.696 ( 5.422 -5.546 -11.724) 14.057 5.941 ( -7.797 -4.982 -8.359) 12.470 6.083 ( 2.858 -7.791 4.283) 9.338 6.155 ( 7.924 1.429 3.264) 8.689 6.447 ( 5.663 -3.666 -0.056) 6.746 6.602 ( -4.677 -3.672 0.642) 5.981 6.698 ( -4.056 -2.637 2.855) 5.617 7.078 ( -7.872 3.975 -2.618) 9.199 7.600 ( -13.214 -14.032 0.448) 19.280 8.044 ( -1.097 4.602 -2.317) 5.268 8.139 ( 1.297 4.760 0.891) 5.013 8.159 ( -11.753 6.363 6.395) 14.816 8.375 ( -3.265 -3.264 -0.306) 4.627 8.652 ( 1.182 8.885 -2.997) 9.451 8.891 ( -1.522 -3.785 6.311) 7.515 9.329 ( -0.552 -2.773 8.387) 8.850 9.507 ( -8.473 -10.342 13.823) 19.231 9.697 ( -1.316 7.055 -0.656) 7.206 9.877 ( -1.483 0.804 3.735) 4.098 10.295 ( 1.243 1.949 2.953) 3.750 10.584 ( 1.928 -5.442 4.206) 7.143 10.869 ( 3.338 2.768 -2.222) 4.872 11.007 ( 2.711 0.591 -0.690) 2.860 11.328 ( 10.396 -1.981 4.331) 11.435 11.466 ( 12.722 -4.281 -9.792) 16.615 12.162 ( -0.373 13.175 -5.387) 14.238 12.368 ( -10.185 4.290 4.128) 11.797 12.498 ( 0.419 -0.392 -10.318) 10.334 12.912 ( -14.643 -19.287 8.827) 25.775 13.496 ( -0.345 -1.627 -4.622) 4.913 13.584 ( -0.618 -6.569 0.120) 6.599 13.791 ( -4.764 9.521 0.213) 10.648 14.108 ( -0.108 -5.135 2.356) 5.650 14.551 ( 0.616 4.918 -1.008) 5.058 14.739 ( 3.472 -4.003 -2.528) 5.871 15.093 ( 2.115 1.686 -3.772) 4.641 15.167 ( -0.879 -1.533 0.524) 1.843 16.492 ( 2.671 0.967 1.318) 3.132 16.595 ( 1.014 -2.603 1.241) 3.057 16.828 ( 4.369 4.395 -0.232) 6.202 16.995 ( 3.858 -2.260 -2.098) 4.939 17.804 ( -2.554 1.523 -7.656) 8.214 17.849 ( -1.101 -0.228 -4.117) 4.268 18.088 ( -12.422 7.062 2.138) 14.448 18.362 ( -9.270 -0.698 5.851) 10.984 18.497 ( -0.957 1.468 2.614) 3.147 18.573 ( -0.429 -2.805 -2.265) 3.631 18.987 ( -2.237 6.231 4.231) 7.857 19.263 ( 2.387 -5.765 3.698) 7.253 28.328 ( -2.165 3.384 1.503) 4.289 28.406 ( -2.143 1.690 -0.477) 2.770 28.558 ( -1.468 -1.365 1.054) 2.265 28.618 ( -1.285 -2.189 -0.152) 2.543 29.755 ( -2.093 4.621 -0.146) 5.076 29.979 ( -0.557 -5.372 0.876) 5.472 30.407 ( -7.444 10.942 -4.665) 14.033 30.609 ( -8.367 -1.170 -2.268) 8.747 31.064 ( -8.098 1.897 -1.905) 8.532 31.200 ( -8.896 -4.160 -0.008) 9.821 31.641 ( 6.111 -0.911 -2.494) 6.662 31.673 ( 7.671 -2.832 -0.086) 8.177 32.470 ( 7.217 15.764 3.577) 17.703 32.733 ( 15.284 18.447 -1.214) 23.986 33.057 ( 1.683 -11.549 2.069) 11.853 33.687 ( 20.399 -27.991 0.135) 34.636 ======================= Grid point 25 (16/156) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.520 25.673 3.251) 26.000 2.829 ( 21.045 11.899 5.863) 24.877 3.208 ( 0.584 -8.543 -4.315) 9.588 3.860 ( 15.182 -17.527 15.696) 28.001 4.061 ( -8.445 5.827 -12.554) 16.214 4.314 ( 9.610 10.075 -9.785) 17.017 4.506 ( -9.902 -8.795 -12.581) 18.267 4.883 ( 3.576 -7.035 -0.912) 7.944 4.948 ( 15.711 0.732 0.890) 15.754 5.163 ( 11.745 -2.402 -0.311) 11.992 5.233 ( 3.842 2.231 1.684) 4.751 5.455 ( -2.858 -6.721 -14.487) 16.224 5.592 ( 20.081 5.542 -7.391) 22.104 5.751 ( 27.152 -1.104 -6.732) 27.996 5.942 ( 22.189 7.895 -0.763) 23.564 6.185 ( 3.151 0.679 7.489) 8.153 6.435 ( 10.003 -2.792 2.766) 10.747 6.532 ( 6.655 2.640 -0.989) 7.227 6.625 ( 20.136 2.838 -4.043) 20.733 6.883 ( 7.922 2.212 12.276) 14.777 7.043 ( 8.798 -6.189 -1.609) 10.877 7.371 ( -9.983 -7.513 0.323) 12.498 7.939 ( -7.374 -0.136 1.279) 7.485 7.981 ( -10.116 -0.544 0.150) 10.132 8.136 ( -0.918 10.558 0.002) 10.598 8.350 ( 0.184 -0.920 -1.682) 1.926 8.643 ( 0.738 8.383 -3.242) 9.018 8.942 ( -0.082 -6.982 4.201) 8.149 9.353 ( -7.561 -2.210 7.950) 11.192 9.449 ( -10.464 -6.284 9.155) 15.258 9.667 ( -0.016 8.316 -2.992) 8.838 9.868 ( -2.911 0.531 1.540) 3.336 10.361 ( 0.610 4.527 5.147) 6.881 10.662 ( 2.115 -4.519 4.274) 6.570 10.852 ( 2.269 -1.212 -8.337) 8.725 11.038 ( 0.087 0.223 0.345) 0.420 11.409 ( 0.634 4.758 -1.765) 5.114 11.658 ( 11.846 -7.479 -0.082) 14.009 12.123 ( -0.127 5.541 -6.179) 8.300 12.222 ( -13.170 3.930 6.762) 15.317 12.387 ( -2.637 -7.508 -3.789) 8.814 12.693 ( -15.905 -16.214 4.301) 23.116 13.431 ( -2.827 1.149 -1.688) 3.488 13.574 ( 0.127 -6.783 -1.693) 6.992 13.780 ( 2.016 8.634 2.608) 9.242 14.124 ( -1.737 -7.457 3.749) 8.525 14.567 ( 2.563 7.992 -0.639) 8.417 14.776 ( 3.656 -2.697 -1.789) 4.882 15.087 ( 1.917 4.381 -3.354) 5.841 15.167 ( 0.139 0.801 0.311) 0.870 16.571 ( 3.329 0.215 1.757) 3.771 16.631 ( 1.747 -1.382 0.786) 2.362 16.891 ( 2.973 4.093 -0.779) 5.118 17.032 ( 3.434 -0.880 -3.826) 5.216 17.651 ( -5.767 3.786 -5.757) 8.985 17.750 ( -1.525 -0.987 -8.851) 9.035 17.981 ( -4.953 3.516 5.347) 8.092 18.266 ( -9.601 -4.132 7.599) 12.923 18.515 ( -0.301 0.295 2.224) 2.263 18.553 ( 0.541 -2.444 -1.595) 2.968 18.986 ( -2.518 7.969 3.396) 9.021 19.315 ( -0.456 -6.562 2.710) 7.115 28.315 ( -1.422 2.724 2.096) 3.720 28.376 ( -1.095 1.196 0.374) 1.664 28.525 ( -1.995 -0.334 -0.739) 2.153 28.601 ( -1.448 -3.050 0.916) 3.499 29.715 ( -1.928 4.973 -0.259) 5.340 29.979 ( -0.425 -6.839 0.607) 6.879 30.315 ( -1.123 7.201 -0.359) 7.297 30.473 ( -4.849 -1.153 -1.033) 5.090 30.865 ( -9.611 2.456 -4.699) 10.977 30.990 ( -11.730 -3.209 -3.083) 12.545 31.704 ( 2.851 -3.531 -1.051) 4.658 31.756 ( 2.521 -6.124 -1.913) 6.893 32.694 ( 12.222 13.534 4.465) 18.775 32.949 ( 8.519 19.921 1.842) 21.745 33.207 ( 12.160 -6.448 1.302) 13.825 33.944 ( 11.170 -22.935 -2.666) 25.649 ======================= Grid point 26 (17/156) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.679 21.798 2.328) 21.932 2.935 ( -3.143 -10.402 -11.760) 16.012 3.321 ( 9.217 18.600 -3.532) 21.056 3.900 ( 3.721 1.366 4.989) 6.372 4.094 ( -7.516 -3.036 2.575) 8.505 4.288 ( 2.096 -21.063 4.443) 21.629 4.415 ( 10.549 3.052 -12.341) 16.520 4.787 ( -9.745 6.920 -12.016) 16.948 4.888 ( -3.468 -11.253 -1.792) 11.911 5.190 ( -5.843 -10.956 -4.084) 13.071 5.320 ( 3.005 -0.167 0.629) 3.074 5.440 ( 6.189 -5.264 8.842) 12.008 5.778 ( 4.324 1.335 -11.063) 11.953 5.862 ( 5.953 -4.058 -6.220) 9.518 6.279 ( 6.120 9.742 6.853) 13.391 6.528 ( 6.828 -1.183 -0.420) 6.943 6.616 ( 11.911 4.972 6.194) 14.316 6.720 ( 11.645 -0.224 1.392) 11.730 6.959 ( 12.860 8.517 0.237) 15.426 7.190 ( 13.003 5.395 0.389) 14.083 7.309 ( 28.131 0.157 -5.202) 28.608 7.433 ( 16.242 0.417 7.548) 17.915 7.776 ( -4.165 0.230 -6.771) 7.953 7.961 ( 2.782 -2.489 5.313) 6.494 8.133 ( 0.086 9.598 1.312) 9.688 8.348 ( 3.433 -1.236 -4.122) 5.505 8.615 ( -0.848 8.306 -1.184) 8.433 8.954 ( -2.884 -8.871 2.616) 9.688 9.264 ( -7.094 -0.918 3.605) 8.010 9.351 ( -9.536 -3.528 5.538) 11.578 9.603 ( -3.130 6.923 -4.192) 8.677 9.815 ( -4.394 -0.724 1.300) 4.639 10.380 ( -4.526 8.295 3.531) 10.088 10.729 ( 2.782 -3.044 0.916) 4.224 10.864 ( 7.192 -7.915 -5.604) 12.074 11.012 ( -1.302 -5.756 -1.002) 5.986 11.396 ( -0.992 10.291 0.757) 10.366 11.765 ( -7.408 -7.776 6.051) 12.327 12.007 ( -1.060 -0.940 -3.256) 3.550 12.068 ( -6.637 2.435 -2.030) 7.355 12.352 ( -0.608 -11.192 0.620) 11.225 12.469 ( -13.536 -12.644 3.135) 18.786 13.358 ( -3.504 3.703 -1.073) 5.210 13.572 ( 1.058 -6.328 -0.627) 6.446 13.883 ( 4.591 5.057 3.652) 7.746 14.129 ( -1.474 -6.949 2.815) 7.641 14.629 ( 4.036 10.386 0.550) 11.156 14.828 ( 3.349 -1.046 -1.114) 3.681 15.106 ( 3.048 6.660 -1.062) 7.400 15.179 ( 0.599 2.925 1.055) 3.167 16.614 ( 0.880 1.511 -0.820) 1.931 16.678 ( 2.387 -0.887 0.460) 2.588 16.914 ( 0.661 3.234 -0.767) 3.389 17.030 ( 1.205 -1.335 -4.040) 4.422 17.490 ( -5.427 4.913 -4.785) 8.745 17.649 ( -0.928 -2.651 -5.248) 5.952 17.982 ( -0.851 1.535 3.624) 4.027 18.179 ( -7.896 -3.490 5.327) 10.145 18.529 ( -0.114 -0.898 1.354) 1.629 18.558 ( 1.168 -2.350 -0.720) 2.722 18.972 ( -2.217 8.217 2.043) 8.753 19.312 ( -1.907 -7.235 1.404) 7.613 28.321 ( -0.371 1.622 1.991) 2.595 28.371 ( -0.472 0.134 0.892) 1.018 28.483 ( -1.249 1.076 -1.268) 2.080 28.581 ( -1.734 -3.052 0.703) 3.580 29.685 ( -1.145 5.164 -0.147) 5.292 29.975 ( -0.393 -7.878 0.129) 7.889 30.326 ( 1.132 3.982 1.181) 4.305 30.411 ( -2.017 -0.281 0.346) 2.066 30.652 ( -7.870 2.334 -4.575) 9.397 30.754 ( -9.139 -2.427 -4.428) 10.441 31.709 ( -0.775 -5.166 -1.711) 5.497 31.753 ( -0.507 -6.661 0.122) 6.681 32.956 ( 11.115 11.501 3.392) 16.350 33.102 ( 6.460 17.405 1.687) 18.641 33.440 ( 10.723 -2.167 1.420) 11.031 34.062 ( 5.696 -18.388 -2.459) 19.406 ======================= Grid point 27 (18/156) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.566 20.168 1.884) 20.264 2.730 ( -3.941 6.975 -7.798) 11.180 3.325 ( 0.426 -2.431 -3.113) 3.972 4.006 ( -2.387 -12.159 3.617) 12.908 4.194 ( -2.688 -2.090 -3.099) 4.604 4.252 ( 11.539 2.161 5.761) 13.077 4.430 ( 2.083 0.381 -5.719) 6.098 4.724 ( 5.800 -2.751 2.851) 7.024 4.782 ( -6.737 -7.237 -2.015) 10.090 4.947 ( -10.894 -10.677 -6.447) 16.560 5.428 ( 4.909 -0.489 4.353) 6.579 5.543 ( -2.847 -5.543 0.781) 6.280 5.772 ( 4.294 -1.347 0.177) 4.503 5.859 ( 1.456 -4.590 -7.101) 8.580 6.393 ( 0.483 10.192 4.450) 11.132 6.589 ( 1.981 9.930 2.977) 10.555 6.686 ( -2.073 3.626 -0.224) 4.182 6.806 ( 0.805 0.769 -0.754) 1.345 7.164 ( 5.525 1.690 -5.375) 7.891 7.227 ( -2.888 -5.181 4.123) 7.224 7.690 ( 7.711 4.074 -0.666) 8.747 7.838 ( 15.664 -1.493 -3.215) 16.060 7.933 ( 25.115 8.391 1.497) 26.522 8.060 ( 3.486 4.953 1.991) 6.376 8.145 ( -2.308 7.351 1.402) 7.832 8.360 ( -0.777 0.794 -1.997) 2.285 8.574 ( -3.077 10.371 0.256) 10.820 8.907 ( -3.526 -8.090 1.175) 8.903 9.193 ( -3.813 -0.840 0.532) 3.941 9.281 ( -1.947 -2.501 3.333) 4.599 9.484 ( -3.857 5.645 -3.585) 7.720 9.759 ( -2.420 -1.930 0.689) 3.172 10.322 ( -2.898 4.308 1.167) 5.321 10.801 ( 4.798 -4.469 -2.123) 6.892 10.863 ( -2.963 -7.932 0.361) 8.474 11.045 ( 4.692 -14.771 -2.036) 15.631 11.386 ( -2.007 16.187 1.924) 16.424 11.614 ( -8.884 5.581 3.774) 11.150 11.940 ( -3.416 -7.547 -1.272) 8.381 12.067 ( 6.505 -9.818 -3.125) 12.185 12.283 ( -9.325 -5.813 2.933) 11.373 12.354 ( -0.307 -14.164 0.133) 14.168 13.298 ( -1.643 5.938 -0.578) 6.188 13.585 ( 0.547 -6.831 -0.077) 6.853 13.981 ( 2.239 2.202 1.757) 3.599 14.132 ( -0.546 -5.141 0.950) 5.257 14.699 ( 2.184 11.319 0.707) 11.550 14.856 ( 0.985 0.539 -0.685) 1.315 15.147 ( 1.539 7.657 -0.418) 7.821 15.215 ( 1.098 4.509 1.614) 4.913 16.609 ( 0.187 2.113 -0.883) 2.298 16.702 ( 0.413 -1.303 -0.595) 1.491 16.910 ( -0.148 2.673 -0.167) 2.682 17.006 ( 0.030 -2.318 -1.576) 2.804 17.380 ( -2.180 5.846 -2.027) 6.560 17.603 ( -0.243 -4.000 -1.538) 4.292 18.019 ( 1.910 0.588 1.122) 2.292 18.101 ( -4.900 -1.654 2.002) 5.545 18.540 ( 0.113 -1.123 0.466) 1.221 18.570 ( 0.497 -2.567 -0.212) 2.624 18.957 ( -0.893 7.913 0.660) 7.991 19.292 ( -1.013 -7.564 0.390) 7.641 28.340 ( 0.456 0.451 1.143) 1.311 28.368 ( -0.715 -0.651 0.212) 0.990 28.460 ( -0.123 2.252 -0.658) 2.349 28.560 ( -0.924 -2.532 0.235) 2.706 29.671 ( -0.337 5.276 -0.026) 5.286 29.971 ( -0.131 -8.100 -0.006) 8.101 30.360 ( 0.884 2.194 0.932) 2.543 30.395 ( -0.558 0.363 0.258) 0.714 30.514 ( -3.009 1.915 -1.929) 4.055 30.600 ( -3.512 -2.261 -2.125) 4.686 31.670 ( -1.019 -4.474 -0.880) 4.672 31.749 ( -0.339 -7.548 0.379) 7.565 33.126 ( 4.389 10.367 1.254) 11.328 33.199 ( 2.612 16.796 0.537) 17.006 33.587 ( 3.949 -1.682 0.722) 4.352 34.108 ( 1.762 -15.970 -0.941) 16.095 ======================= Grid point 33 (19/156) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 0.000 -25.767 0.000) 25.767 2.081 ( 0.000 25.767 0.000) 25.767 2.464 ( 0.000 -36.464 0.000) 36.464 2.464 ( 0.000 36.464 0.000) 36.464 3.307 ( 0.000 -3.300 0.000) 3.300 3.307 ( 0.000 3.300 0.000) 3.300 4.468 ( 0.000 -38.790 0.000) 38.790 4.468 ( 0.000 38.790 0.000) 38.790 4.607 ( 0.000 -3.808 0.000) 3.808 4.607 ( 0.000 3.808 0.000) 3.808 4.983 ( 0.000 -1.177 0.000) 1.177 4.983 ( 0.000 1.177 0.000) 1.177 5.582 ( 0.000 -15.289 0.000) 15.289 5.582 ( 0.000 15.289 0.000) 15.289 5.937 ( 0.000 -12.394 0.000) 12.394 5.937 ( 0.000 12.394 0.000) 12.394 6.368 ( 0.000 -11.595 0.000) 11.595 6.368 ( 0.000 11.595 0.000) 11.595 6.776 ( 0.000 -8.921 0.000) 8.921 6.776 ( 0.000 8.921 0.000) 8.921 7.682 ( 0.000 -9.261 0.000) 9.261 7.682 ( 0.000 9.261 0.000) 9.261 7.882 ( 0.000 -5.827 0.000) 5.827 7.882 ( 0.000 5.827 0.000) 5.827 8.433 ( 0.000 -2.990 0.000) 2.990 8.433 ( 0.000 2.990 0.000) 2.990 8.944 ( 0.000 -1.947 0.000) 1.947 8.944 ( 0.000 1.947 0.000) 1.947 9.241 ( 0.000 -3.624 0.000) 3.624 9.241 ( 0.000 3.624 0.000) 3.624 9.663 ( 0.000 -6.273 0.000) 6.273 9.663 ( 0.000 6.273 0.000) 6.273 10.335 ( 0.000 -2.156 0.000) 2.156 10.335 ( 0.000 2.156 0.000) 2.156 10.917 ( 0.000 -5.969 0.000) 5.969 10.917 ( 0.000 5.969 0.000) 5.969 11.044 ( 0.000 -7.792 0.000) 7.792 11.044 ( 0.000 7.792 0.000) 7.792 12.623 ( 0.000 -9.391 0.000) 9.391 12.623 ( 0.000 9.391 0.000) 9.391 12.725 ( 0.000 -0.854 0.000) 0.854 12.725 ( 0.000 0.854 0.000) 0.854 13.506 ( 0.000 -4.835 0.000) 4.835 13.506 ( 0.000 4.835 0.000) 4.835 14.023 ( 0.000 -1.389 0.000) 1.389 14.023 ( 0.000 1.389 0.000) 1.389 14.611 ( 0.000 -3.751 0.000) 3.751 14.611 ( 0.000 3.751 0.000) 3.751 15.132 ( 0.000 -3.473 0.000) 3.473 15.132 ( 0.000 3.473 0.000) 3.473 16.533 ( 0.000 -0.853 0.000) 0.853 16.533 ( 0.000 0.853 0.000) 0.853 16.815 ( 0.000 -5.455 0.000) 5.455 16.815 ( 0.000 5.455 0.000) 5.455 17.911 ( 0.000 -2.960 0.000) 2.960 17.911 ( 0.000 2.960 0.000) 2.960 18.521 ( 0.000 -2.775 0.000) 2.775 18.521 ( 0.000 2.775 0.000) 2.775 18.630 ( 0.000 -8.161 0.000) 8.161 18.630 ( 0.000 8.161 0.000) 8.161 18.996 ( 0.000 -3.665 0.000) 3.665 18.996 ( 0.000 3.665 0.000) 3.665 28.431 ( 0.000 -3.409 0.000) 3.409 28.431 ( 0.000 3.409 0.000) 3.409 28.607 ( 0.000 -3.488 0.000) 3.488 28.607 ( 0.000 3.488 0.000) 3.488 29.896 ( 0.000 -4.865 0.000) 4.865 29.896 ( 0.000 4.865 0.000) 4.865 30.989 ( 0.000 -4.030 0.000) 4.030 30.989 ( 0.000 4.030 0.000) 4.030 31.254 ( 0.000 -2.304 0.000) 2.304 31.254 ( 0.000 2.304 0.000) 2.304 31.492 ( 0.000 -1.850 0.000) 1.850 31.492 ( 0.000 1.850 0.000) 1.850 32.452 ( 0.000 -0.816 0.000) 0.816 32.452 ( 0.000 0.816 0.000) 0.816 32.803 ( 0.000 -12.944 0.000) 12.944 32.803 ( 0.000 12.944 0.000) 12.944 ======================= Grid point 35 (20/156) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 26.305 -15.302 -7.198) 31.271 2.352 ( 26.305 15.302 -7.198) 31.271 2.547 ( 5.287 -26.487 10.214) 28.876 2.547 ( 5.287 26.487 10.214) 28.876 3.569 ( 26.888 -5.016 2.134) 27.435 3.569 ( 26.888 5.016 2.134) 27.435 4.608 ( 5.943 -25.614 0.995) 26.314 4.608 ( 5.943 25.614 0.995) 26.313 4.642 ( 10.893 -17.758 0.406) 20.836 4.642 ( 10.893 17.758 0.406) 20.836 5.002 ( 6.473 -0.682 -4.958) 8.182 5.002 ( 6.473 0.682 -4.958) 8.182 5.553 ( -0.985 -13.723 -4.036) 14.338 5.553 ( -0.985 13.723 -4.036) 14.338 5.884 ( -1.146 -9.651 -6.089) 11.469 5.884 ( -1.146 9.651 -6.089) 11.469 6.334 ( -1.573 -7.812 -1.223) 8.062 6.334 ( -1.573 7.812 -1.223) 8.062 6.715 ( -6.142 -7.686 0.384) 9.846 6.715 ( -6.142 7.686 0.384) 9.846 7.534 ( -12.260 -12.326 -1.201) 17.427 7.534 ( -12.260 12.326 -1.201) 17.427 8.022 ( 8.710 -3.259 3.571) 9.962 8.022 ( 8.710 3.259 3.571) 9.962 8.401 ( -4.767 -4.012 0.586) 6.258 8.401 ( -4.767 4.012 0.586) 6.258 8.859 ( -5.636 -3.800 -0.575) 6.822 8.859 ( -5.636 3.800 -0.575) 6.822 9.279 ( -1.233 -5.600 7.626) 9.542 9.279 ( -1.233 5.600 7.626) 9.542 9.742 ( 3.918 -5.896 4.371) 8.320 9.742 ( 3.918 5.896 4.371) 8.320 10.366 ( 2.165 -6.231 1.184) 6.702 10.366 ( 2.165 6.231 1.184) 6.702 10.917 ( -1.473 -5.458 4.258) 7.077 10.917 ( -1.473 5.458 4.258) 7.077 11.159 ( 14.276 -7.626 -5.772) 17.184 11.159 ( 14.276 7.626 -5.772) 17.184 12.544 ( 0.343 -7.535 -12.900) 14.943 12.544 ( 0.343 7.535 -12.900) 14.943 12.692 ( -9.517 -8.830 8.438) 15.484 12.692 ( -9.517 8.830 8.438) 15.484 13.506 ( 0.093 -3.343 -0.625) 3.402 13.506 ( 0.093 3.343 -0.625) 3.402 14.011 ( -2.115 -4.294 1.168) 4.927 14.011 ( -2.115 4.294 1.168) 4.927 14.625 ( 1.782 -3.804 -0.717) 4.262 14.625 ( 1.782 3.804 -0.717) 4.262 15.124 ( 0.010 -2.783 -0.827) 2.903 15.124 ( 0.010 2.783 -0.827) 2.903 16.522 ( -0.430 -2.572 -0.161) 2.612 16.522 ( -0.430 2.572 -0.161) 2.612 16.850 ( 3.342 -5.061 0.290) 6.072 16.850 ( 3.342 5.061 0.290) 6.072 17.893 ( -0.384 -2.229 -2.766) 3.573 17.893 ( -0.384 2.229 -2.766) 3.573 18.450 ( -10.460 -5.922 1.164) 12.076 18.450 ( -10.460 5.922 1.164) 12.076 18.563 ( -1.824 -4.487 -1.764) 5.155 18.563 ( -1.824 4.487 -1.764) 5.155 19.054 ( 2.213 -4.548 4.213) 6.583 19.054 ( 2.213 4.548 4.213) 6.583 28.419 ( -1.720 -3.231 0.811) 3.749 28.419 ( -1.720 3.231 0.811) 3.749 28.596 ( -0.904 -3.051 -0.349) 3.201 28.596 ( -0.904 3.051 -0.349) 3.201 29.885 ( -1.256 -5.081 0.293) 5.242 29.885 ( -1.256 5.081 0.293) 5.242 30.804 ( -11.569 -2.518 -6.550) 13.530 30.804 ( -11.569 2.518 -6.550) 13.530 31.228 ( -3.726 -2.194 0.695) 4.379 31.228 ( -3.726 2.194 0.695) 4.379 31.551 ( 4.116 -2.757 1.458) 5.164 31.551 ( 4.116 2.757 1.458) 5.164 32.635 ( 15.041 -3.656 -3.252) 15.817 32.635 ( 15.041 3.656 -3.252) 15.817 32.859 ( 6.011 -2.235 5.977) 8.766 32.859 ( 6.011 2.235 5.977) 8.766 ======================= Grid point 37 (21/156) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 8.854 -23.637 -6.602) 26.090 2.558 ( 8.854 23.637 -6.602) 26.090 2.957 ( 18.092 -17.285 15.977) 29.688 2.957 ( 18.092 17.285 15.977) 29.688 4.174 ( 31.874 -5.937 -1.172) 32.444 4.174 ( 31.874 5.937 -1.172) 32.444 4.613 ( 0.902 -9.826 -8.144) 12.794 4.613 ( 0.902 9.826 -8.144) 12.794 4.877 ( 12.191 -12.659 -2.797) 17.796 4.877 ( 12.191 12.659 -2.797) 17.796 5.203 ( 16.047 -6.349 -1.588) 17.331 5.203 ( 16.047 6.349 -1.588) 17.331 5.507 ( 8.919 -10.112 -10.586) 17.142 5.507 ( 8.919 10.112 -10.586) 17.142 5.861 ( 7.095 -4.010 -1.734) 8.332 5.861 ( 7.095 4.010 -1.734) 8.332 6.336 ( -0.139 -8.606 6.583) 10.836 6.336 ( -0.139 8.606 6.583) 10.836 6.607 ( -2.088 -3.464 -3.976) 5.672 6.607 ( -2.088 3.464 -3.976) 5.672 7.297 ( -12.023 -14.718 0.717) 19.018 7.297 ( -12.023 14.718 0.717) 19.018 8.126 ( -5.572 -3.403 3.278) 7.306 8.126 ( -5.572 3.403 3.278) 7.306 8.306 ( -1.470 -4.834 -1.308) 5.219 8.306 ( -1.470 4.834 -1.308) 5.219 8.806 ( -1.004 -5.642 0.993) 5.816 8.806 ( -1.004 5.642 0.993) 5.816 9.335 ( -3.712 -4.756 10.319) 11.954 9.335 ( -3.712 4.756 10.319) 11.954 9.825 ( 0.953 -5.252 1.627) 5.580 9.825 ( 0.953 5.252 1.627) 5.580 10.420 ( 1.774 -8.881 2.608) 9.425 10.420 ( 1.774 8.881 2.608) 9.425 10.963 ( 2.144 -4.840 1.092) 5.405 10.963 ( 2.144 4.840 1.092) 5.405 11.358 ( 12.643 -4.753 -4.057) 14.103 11.358 ( 12.643 4.753 -4.057) 14.103 12.398 ( -3.112 -6.303 -8.955) 11.384 12.398 ( -3.112 6.303 -8.955) 11.384 12.566 ( -12.279 -12.137 5.321) 18.067 12.566 ( -12.279 12.137 5.321) 18.067 13.493 ( -0.238 -2.006 -1.367) 2.439 13.493 ( -0.238 2.006 -1.367) 2.439 13.976 ( -3.309 -7.959 2.081) 8.867 13.976 ( -3.309 7.959 2.081) 8.867 14.652 ( 2.597 -4.710 -1.391) 5.556 14.652 ( 2.597 4.710 -1.391) 5.556 15.128 ( 1.656 -1.982 -1.100) 2.807 15.128 ( 1.656 1.982 -1.100) 2.807 16.537 ( 1.571 -2.894 1.250) 3.522 16.537 ( 1.571 2.894 1.250) 3.522 16.922 ( 4.423 -4.501 -0.682) 6.348 16.922 ( 4.423 4.501 -0.682) 6.348 17.832 ( -0.949 -1.379 -6.801) 7.004 17.832 ( -0.949 1.379 -6.801) 7.004 18.251 ( -13.294 -8.144 5.096) 16.402 18.251 ( -13.294 8.144 5.096) 16.402 18.536 ( -0.596 -1.807 -0.442) 1.953 18.536 ( -0.596 1.807 -0.442) 1.953 19.128 ( 0.499 -7.237 4.351) 8.459 19.128 ( 0.499 7.237 4.351) 8.459 28.391 ( -2.493 -2.617 1.397) 3.875 28.391 ( -2.493 2.617 1.397) 3.875 28.572 ( -1.238 -2.172 -0.386) 2.530 28.572 ( -1.238 2.172 -0.386) 2.530 29.863 ( -1.611 -5.835 0.349) 6.064 29.863 ( -1.611 5.835 0.349) 6.064 30.559 ( -8.027 -4.400 -4.543) 10.220 30.559 ( -8.027 4.400 -4.543) 10.220 31.120 ( -8.713 -3.548 -0.295) 9.413 31.120 ( -8.713 3.548 -0.295) 9.413 31.638 ( 5.327 -0.688 -1.993) 5.729 31.638 ( 5.327 0.688 -1.993) 5.729 32.782 ( 6.039 -14.695 1.885) 15.999 32.782 ( 6.039 14.695 1.885) 15.999 33.163 ( 18.339 -23.502 1.640) 29.855 33.163 ( 18.339 23.502 1.640) 29.855 ======================= Grid point 39 (22/156) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 2.877 -24.218 -4.828) 24.861 2.597 ( 2.877 24.218 -4.828) 24.861 3.440 ( 16.219 -21.500 16.398) 31.531 3.440 ( 16.219 21.500 16.398) 31.531 4.268 ( -7.775 -12.306 -16.136) 21.732 4.268 ( -7.775 12.306 -16.136) 21.732 4.593 ( 5.823 -15.946 -4.064) 17.456 4.593 ( 5.823 15.946 -4.064) 17.456 5.086 ( 6.874 -6.093 -2.261) 9.460 5.086 ( 6.874 6.093 -2.261) 9.460 5.313 ( 1.847 -6.184 -4.698) 7.983 5.313 ( 1.847 6.184 -4.698) 7.983 5.691 ( 20.005 -4.150 -9.403) 22.491 5.691 ( 20.005 4.150 -9.403) 22.491 6.118 ( 17.898 -8.311 1.654) 19.802 6.118 ( 17.898 8.311 1.654) 19.802 6.501 ( 4.462 -6.741 9.434) 12.423 6.501 ( 4.462 6.741 9.434) 12.423 6.717 ( 24.314 -7.813 -0.900) 25.554 6.717 ( 24.314 7.813 -0.900) 25.554 7.177 ( -1.648 -11.074 2.257) 11.421 7.177 ( -1.648 11.074 2.257) 11.421 7.951 ( -11.634 -1.813 0.364) 11.780 7.951 ( -11.634 1.813 0.364) 11.780 8.305 ( 0.402 -5.038 -1.250) 5.207 8.305 ( 0.402 5.038 -1.250) 5.207 8.804 ( -0.283 -7.249 -0.431) 7.267 8.804 ( -0.283 7.249 -0.431) 7.267 9.345 ( -7.326 -2.506 9.166) 11.998 9.345 ( -7.326 2.506 9.166) 11.998 9.816 ( -1.874 -5.503 -1.033) 5.905 9.816 ( -1.874 5.503 -1.033) 5.905 10.506 ( 4.398 -8.889 3.692) 10.582 10.506 ( 4.398 8.889 3.692) 10.582 10.950 ( -2.272 -7.809 -4.919) 9.505 10.950 ( -2.272 7.809 -4.919) 9.505 11.510 ( 6.262 -5.918 0.862) 8.659 11.510 ( 6.262 5.918 0.862) 8.659 12.244 ( -6.334 -6.481 -4.800) 10.255 12.244 ( -6.334 6.481 -4.800) 10.255 12.397 ( -11.225 -12.298 3.964) 17.116 12.397 ( -11.225 12.298 3.964) 17.116 13.472 ( -0.411 -3.330 -1.318) 3.605 13.472 ( -0.411 3.330 -1.318) 3.605 13.960 ( -1.100 -8.659 2.999) 9.229 13.960 ( -1.100 8.659 2.999) 9.229 14.699 ( 4.093 -5.021 -0.756) 6.522 14.699 ( 4.093 5.021 -0.756) 6.522 15.153 ( 2.257 -2.093 -0.911) 3.210 15.153 ( 2.257 2.093 -0.911) 3.210 16.596 ( 2.764 -1.829 1.645) 3.700 16.596 ( 2.764 1.829 1.645) 3.700 16.977 ( 3.096 -4.025 -2.157) 5.517 16.977 ( 3.096 4.025 -2.157) 5.517 17.714 ( -2.478 -2.413 -8.652) 9.317 17.714 ( -2.478 2.413 -8.652) 9.317 18.118 ( -9.496 -8.705 8.007) 15.168 18.118 ( -9.496 8.705 8.007) 15.168 18.526 ( -0.117 -0.813 -0.188) 0.842 18.526 ( -0.117 0.813 -0.188) 0.842 19.158 ( -1.550 -8.552 3.187) 9.258 19.158 ( -1.550 8.552 3.187) 9.258 28.366 ( -2.049 -2.001 1.641) 3.301 28.366 ( -2.049 2.001 1.641) 3.301 28.546 ( -1.280 -2.216 -0.246) 2.571 28.546 ( -1.280 2.216 -0.246) 2.571 29.837 ( -1.515 -6.852 0.161) 7.019 29.837 ( -1.515 6.852 0.161) 7.019 30.427 ( -3.316 -3.749 -1.632) 5.264 30.427 ( -3.316 3.749 -1.632) 5.264 30.923 ( -10.605 -3.204 -3.334) 11.569 30.923 ( -10.605 3.204 -3.334) 11.569 31.681 ( 1.847 -1.266 -2.138) 3.096 31.681 ( 1.847 1.266 -2.138) 3.096 32.952 ( 8.801 -11.438 4.686) 15.174 32.952 ( 8.801 11.438 4.686) 15.174 33.464 ( 14.673 -23.602 -1.246) 27.819 33.464 ( 14.673 23.602 -1.246) 27.819 ======================= Grid point 41 (23/156) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.627 -21.643 -2.916) 21.848 2.581 ( 0.627 21.643 -2.916) 21.848 3.778 ( 0.267 -23.557 -4.184) 23.927 3.778 ( 0.267 23.557 -4.184) 23.927 4.000 ( 2.434 -4.419 2.991) 5.866 4.000 ( 2.434 4.419 2.991) 5.866 4.612 ( 2.514 -13.457 -5.899) 14.907 4.612 ( 2.514 13.457 -5.899) 14.907 4.977 ( -9.061 -10.253 -6.428) 15.118 4.977 ( -9.061 10.253 -6.428) 15.118 5.351 ( 2.458 -3.277 5.385) 6.766 5.351 ( 2.458 3.277 5.385) 6.766 5.806 ( 6.389 -1.719 -10.193) 12.152 5.806 ( 6.389 1.719 -10.193) 12.152 6.447 ( 9.600 -6.469 4.910) 12.575 6.447 ( 9.600 6.469 4.910) 12.575 6.691 ( 7.076 -2.810 4.011) 8.605 6.691 ( 7.076 2.810 4.011) 8.605 7.126 ( 11.093 -7.492 3.754) 13.903 7.126 ( 11.093 7.492 3.754) 13.903 7.409 ( 26.266 -4.809 -3.302) 26.906 7.409 ( 26.266 4.809 -3.302) 26.906 7.845 ( 4.039 -7.000 0.463) 8.095 7.845 ( 4.039 7.000 0.463) 8.095 8.290 ( 0.016 -5.076 -1.087) 5.191 8.290 ( 0.016 5.076 -1.086) 5.191 8.784 ( -1.319 -8.267 -0.258) 8.375 8.784 ( -1.319 8.267 -0.258) 8.375 9.280 ( -8.240 -2.729 6.053) 10.582 9.280 ( -8.240 2.729 6.053) 10.582 9.740 ( -4.640 -5.948 -2.131) 7.839 9.740 ( -4.640 5.948 -2.131) 7.839 10.639 ( 3.133 -12.656 5.299) 14.074 10.639 ( 3.133 12.656 5.299) 14.074 10.800 ( -3.968 -7.854 -8.360) 12.137 10.800 ( -3.968 7.854 -8.360) 12.137 11.604 ( 0.851 -8.774 5.527) 10.404 11.604 ( 0.851 8.774 5.527) 10.404 12.052 ( -8.194 -5.099 -6.508) 11.640 12.052 ( -8.194 5.099 -6.508) 11.640 12.276 ( -7.400 -5.691 4.543) 10.382 12.276 ( -7.400 5.691 4.543) 10.382 13.452 ( -0.514 -5.485 -0.871) 5.578 13.452 ( -0.514 5.485 -0.871) 5.578 13.998 ( 1.228 -6.112 2.845) 6.853 13.998 ( 1.228 6.112 2.845) 6.853 14.776 ( 4.438 -4.509 0.216) 6.330 14.776 ( 4.438 4.509 0.216) 6.330 15.193 ( 2.682 -1.759 0.396) 3.232 15.193 ( 2.682 1.759 0.396) 3.232 16.650 ( 1.787 -1.785 0.089) 2.527 16.650 ( 1.787 1.785 0.089) 2.527 16.981 ( 0.436 -3.212 -2.440) 4.057 16.981 ( 0.436 3.212 -2.440) 4.057 17.584 ( -2.629 -3.907 -6.227) 7.807 17.584 ( -2.629 3.907 -6.227) 7.807 18.067 ( -5.134 -6.208 6.130) 10.123 18.067 ( -5.134 6.208 6.130) 10.123 18.528 ( 0.421 -0.808 -0.163) 0.926 18.528 ( 0.421 0.808 -0.163) 0.926 19.148 ( -2.280 -8.761 1.703) 9.212 19.148 ( -2.280 8.761 1.703) 9.212 28.355 ( -1.119 -1.510 1.408) 2.348 28.355 ( -1.119 1.510 1.408) 2.348 28.522 ( -1.027 -2.584 -0.138) 2.784 28.522 ( -1.027 2.584 -0.138) 2.784 29.815 ( -0.966 -7.524 0.106) 7.586 29.815 ( -0.966 7.524 0.106) 7.586 30.389 ( -0.566 -2.073 0.115) 2.151 30.389 ( -0.566 2.073 0.115) 2.151 30.702 ( -8.605 -2.615 -4.295) 9.967 30.702 ( -8.605 2.615 -4.295) 9.967 31.669 ( -0.763 -1.249 -1.076) 1.817 31.669 ( -0.763 1.249 -1.076) 1.817 33.162 ( 8.431 -7.918 3.951) 12.222 33.162 ( 8.431 7.918 3.951) 12.222 33.659 ( 9.027 -20.044 -1.485) 22.033 33.659 ( 9.027 20.044 -1.485) 22.033 ======================= Grid point 43 (24/156) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 0.283 -18.136 -0.551) 18.147 2.571 ( 0.283 18.136 -0.551) 18.147 3.570 ( -4.756 -22.257 -6.449) 23.655 3.570 ( -4.756 22.257 -6.449) 23.655 4.251 ( 7.602 -2.528 6.543) 10.344 4.251 ( 7.602 2.528 6.543) 10.344 4.574 ( -1.004 -10.077 -2.636) 10.465 4.574 ( -1.004 10.077 -2.636) 10.465 4.774 ( -5.130 -5.085 -3.976) 8.245 4.774 ( -5.130 5.085 -3.976) 8.245 5.449 ( 0.932 -3.214 4.787) 5.841 5.449 ( 0.932 3.214 4.787) 5.841 5.786 ( 2.323 -2.391 -6.021) 6.882 5.786 ( 2.323 2.391 -6.021) 6.882 6.587 ( 1.150 -7.708 4.835) 9.171 6.587 ( 1.150 7.708 4.835) 9.171 6.777 ( 1.766 -3.896 0.290) 4.287 6.777 ( 1.766 3.896 0.290) 4.287 7.178 ( -2.101 -1.259 -1.741) 3.005 7.178 ( -2.101 1.259 -1.741) 3.005 7.774 ( 12.704 -4.132 -0.920) 13.391 7.774 ( 12.704 4.132 -0.920) 13.391 8.085 ( 13.905 -3.640 1.551) 14.457 8.085 ( 13.905 3.640 1.551) 14.457 8.290 ( 0.432 -6.341 -2.201) 6.726 8.290 ( 0.432 6.341 -2.201) 6.726 8.756 ( -2.141 -7.379 1.142) 7.768 8.756 ( -2.141 7.379 1.142) 7.768 9.219 ( -3.265 -3.150 3.061) 5.472 9.219 ( -3.265 3.150 3.061) 5.472 9.632 ( -3.593 -8.480 -1.724) 9.370 9.632 ( -3.593 8.480 -1.724) 9.370 10.580 ( -5.544 -18.468 -0.957) 19.306 10.580 ( -5.544 18.468 -0.957) 19.306 10.807 ( 4.302 -5.124 -0.666) 6.723 10.807 ( 4.302 5.124 -0.666) 6.723 11.683 ( 0.627 -6.410 7.734) 10.065 11.683 ( 0.627 6.410 7.734) 10.065 11.843 ( -5.467 -7.070 -7.693) 11.792 11.843 ( -5.467 7.070 -7.693) 11.792 12.222 ( -2.658 -0.831 1.819) 3.327 12.222 ( -2.658 0.831 1.819) 3.327 13.438 ( -0.265 -7.496 -0.327) 7.508 13.438 ( -0.265 7.496 -0.327) 7.508 14.042 ( 0.819 -3.720 1.133) 3.974 14.042 ( 0.819 3.720 1.133) 3.974 14.839 ( 1.866 -3.094 0.226) 3.620 14.839 ( 1.866 3.094 0.226) 3.620 15.246 ( 1.695 -1.727 0.789) 2.545 15.246 ( 1.695 1.727 0.789) 2.545 16.659 ( 0.186 -2.589 -0.782) 2.710 16.659 ( 0.186 2.589 -0.782) 2.710 16.960 ( -0.302 -2.308 -0.832) 2.472 16.960 ( -0.302 2.308 -0.832) 2.472 17.504 ( -1.032 -5.802 -2.192) 6.288 17.504 ( -1.032 5.802 -2.192) 6.288 18.054 ( -1.588 -2.539 2.216) 3.726 18.054 ( -1.588 2.539 2.216) 3.726 18.534 ( 0.294 -0.757 -0.080) 0.816 18.534 ( 0.294 0.757 -0.080) 0.816 19.127 ( -1.063 -8.553 0.498) 8.633 19.127 ( -1.063 8.553 0.498) 8.633 28.353 ( -0.339 -0.738 0.562) 0.988 28.353 ( -0.339 0.738 0.562) 0.988 28.508 ( -0.384 -2.483 -0.038) 2.512 28.508 ( -0.384 2.483 -0.038) 2.512 29.806 ( -0.275 -7.790 0.071) 7.795 29.806 ( -0.275 7.790 0.071) 7.795 30.392 ( 0.178 -0.839 0.375) 0.936 30.392 ( 0.178 0.839 0.375) 0.936 30.555 ( -3.396 -2.124 -2.034) 4.493 30.555 ( -3.396 2.124 -2.034) 4.493 31.646 ( -0.650 -2.147 -0.308) 2.264 31.646 ( -0.650 2.147 -0.308) 2.264 33.303 ( 3.376 -5.743 1.468) 6.821 33.303 ( 3.376 5.743 1.468) 6.821 33.756 ( 3.061 -17.199 -0.563) 17.479 33.756 ( 3.061 17.199 -0.563) 17.479 ======================= Grid point 77 (25/156) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 35.284 0.000 33.156) 48.418 0.784 ( -3.704 0.000 41.391) 41.556 1.158 ( -15.870 0.000 60.993) 63.024 2.972 ( -4.849 0.000 -9.361) 10.543 3.536 ( 5.175 0.000 3.887) 6.473 3.750 ( 2.041 0.000 -15.803) 15.935 4.070 ( -4.618 0.000 2.529) 5.266 4.235 ( -5.203 0.000 -0.994) 5.297 4.666 ( 2.576 0.000 9.739) 10.074 4.804 ( 0.886 0.000 -10.320) 10.358 5.046 ( -8.818 0.000 -1.269) 8.909 5.128 ( 1.950 0.000 -1.921) 2.737 5.181 ( 2.171 0.000 11.882) 12.079 5.424 ( -3.405 0.000 -6.687) 7.504 6.169 ( -0.716 0.000 -10.268) 10.293 6.196 ( 4.505 0.000 -5.208) 6.886 6.551 ( -2.831 0.000 -8.112) 8.592 6.551 ( -2.162 0.000 2.226) 3.103 6.878 ( -16.310 0.000 -16.356) 23.098 7.124 ( 8.657 0.000 -10.731) 13.788 7.335 ( -0.383 0.000 7.692) 7.701 7.695 ( 6.367 0.000 6.453) 9.065 7.864 ( 2.974 0.000 -0.310) 2.990 8.044 ( 12.136 0.000 -7.498) 14.265 8.144 ( 0.136 0.000 1.543) 1.549 8.241 ( -4.198 0.000 1.604) 4.494 8.884 ( 7.011 0.000 -6.192) 9.354 8.901 ( 6.159 0.000 17.085) 18.162 9.122 ( 0.221 0.000 3.669) 3.675 9.554 ( 6.078 0.000 12.673) 14.055 10.275 ( -11.040 0.000 -0.935) 11.079 10.415 ( 19.518 0.000 3.279) 19.791 10.453 ( -6.607 0.000 4.921) 8.238 10.489 ( 13.058 0.000 -1.434) 13.136 10.627 ( -10.214 0.000 0.716) 10.239 11.229 ( -0.793 0.000 -4.785) 4.850 11.272 ( 1.443 0.000 2.596) 2.970 11.568 ( -25.987 0.000 -2.329) 26.092 11.690 ( 1.798 0.000 -6.082) 6.342 12.108 ( 26.958 0.000 -11.762) 29.412 12.442 ( 1.993 0.000 6.155) 6.469 12.512 ( 44.614 0.000 5.225) 44.919 13.686 ( -0.471 0.000 -4.512) 4.536 13.765 ( -8.229 0.000 -6.902) 10.740 13.910 ( -3.221 0.000 4.655) 5.661 14.105 ( -12.959 0.000 6.291) 14.405 14.505 ( -3.132 0.000 3.288) 4.541 14.718 ( -1.386 0.000 -0.795) 1.597 15.054 ( 0.390 0.000 -0.532) 0.659 15.270 ( 3.915 0.000 -4.609) 6.047 16.455 ( -2.684 0.000 -2.907) 3.956 16.604 ( 2.574 0.000 -1.257) 2.865 16.609 ( 5.121 0.000 4.239) 6.648 16.802 ( 0.749 0.000 -1.488) 1.666 17.867 ( -2.132 0.000 -3.137) 3.793 17.906 ( 1.178 0.000 -4.750) 4.894 18.077 ( 0.935 0.000 7.197) 7.258 18.412 ( -1.776 0.000 2.519) 3.082 18.669 ( -18.986 0.000 6.327) 20.013 18.861 ( 4.354 0.000 -1.413) 4.577 19.037 ( -32.757 0.000 -2.670) 32.866 19.241 ( 0.678 0.000 -0.503) 0.845 28.220 ( 0.440 0.000 0.750) 0.870 28.347 ( -0.840 0.000 -0.810) 1.167 28.690 ( 3.400 0.000 0.116) 3.402 28.691 ( -0.819 0.000 -0.212) 0.846 29.745 ( -3.192 0.000 4.005) 5.121 29.861 ( 1.682 0.000 1.501) 2.255 30.314 ( -9.375 0.000 0.556) 9.392 31.172 ( 2.917 0.000 2.336) 3.738 31.201 ( 4.144 0.000 -9.623) 10.477 31.301 ( 1.063 0.000 -1.297) 1.677 31.403 ( -35.610 0.000 -0.160) 35.610 31.724 ( -0.190 0.000 -1.802) 1.812 31.811 ( 9.695 0.000 2.187) 9.939 32.271 ( -4.346 0.000 -2.165) 4.855 33.401 ( -2.352 0.000 3.385) 4.122 33.582 ( 35.126 0.000 1.073) 35.142 ======================= Grid point 78 (26/156) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 15.550 0.000 34.686) 38.012 1.356 ( -1.190 0.000 46.268) 46.283 2.200 ( 59.363 0.000 34.337) 68.578 3.099 ( 30.298 0.000 -17.692) 35.086 3.679 ( 10.714 0.000 -20.566) 23.190 3.974 ( 35.525 0.000 4.489) 35.807 4.165 ( 14.988 0.000 -0.665) 15.003 4.221 ( -0.651 0.000 6.895) 6.926 4.624 ( -5.514 0.000 -13.643) 14.715 4.819 ( 6.290 0.000 6.335) 8.927 4.858 ( -5.820 0.000 -5.213) 7.813 5.200 ( 7.819 0.000 -2.810) 8.308 5.301 ( -0.159 0.000 -9.479) 9.480 5.407 ( 4.768 0.000 15.620) 16.332 5.870 ( -14.445 0.000 -21.550) 25.944 6.315 ( 8.930 0.000 4.072) 9.815 6.415 ( 1.326 0.000 -10.669) 10.751 6.503 ( -11.567 0.000 -4.799) 12.523 6.547 ( -0.898 0.000 3.123) 3.249 7.063 ( -12.554 0.000 -15.052) 19.600 7.135 ( -3.723 0.000 -3.683) 5.237 7.799 ( -1.767 0.000 5.275) 5.563 8.062 ( 9.509 0.000 3.219) 10.039 8.139 ( -3.534 0.000 2.078) 4.100 8.147 ( 10.453 0.000 -7.364) 12.786 8.173 ( -4.539 0.000 -2.097) 5.000 8.745 ( -12.936 0.000 -0.917) 12.968 9.065 ( -0.221 0.000 4.226) 4.232 9.326 ( 5.914 0.000 17.901) 18.852 9.806 ( 1.778 0.000 15.174) 15.278 9.873 ( -20.372 0.000 0.353) 20.375 10.427 ( -29.966 0.000 4.565) 30.312 10.484 ( -3.561 0.000 -1.568) 3.891 10.590 ( 1.691 0.000 11.277) 11.403 10.651 ( -0.120 0.000 1.470) 1.475 10.808 ( 19.052 0.000 0.176) 19.053 11.382 ( 7.087 0.000 5.643) 9.059 11.455 ( -6.829 0.000 -10.724) 12.714 11.668 ( 3.820 0.000 -5.828) 6.968 12.204 ( 6.698 0.000 -7.697) 10.204 12.584 ( 5.069 0.000 7.153) 8.766 13.137 ( 8.869 0.000 -13.270) 15.960 13.629 ( -0.437 0.000 -4.832) 4.852 13.821 ( 15.796 0.000 -13.445) 20.743 13.892 ( -3.105 0.000 5.203) 6.059 14.087 ( 0.950 0.000 1.559) 1.826 14.516 ( 0.531 0.000 2.677) 2.729 14.658 ( -3.612 0.000 -1.649) 3.971 15.047 ( -0.138 0.000 -1.433) 1.440 15.249 ( -1.923 0.000 -4.509) 4.902 16.461 ( 10.689 0.000 -7.631) 13.133 16.634 ( 1.606 0.000 -0.361) 1.646 16.686 ( 0.832 0.000 2.175) 2.329 16.782 ( -1.398 0.000 -1.231) 1.862 17.774 ( -4.265 0.000 -3.740) 5.673 17.851 ( -2.880 0.000 -3.219) 4.320 18.172 ( 0.393 0.000 7.886) 7.896 18.217 ( -18.264 0.000 9.589) 20.628 18.486 ( -1.809 0.000 5.382) 5.678 18.844 ( -5.857 0.000 4.949) 7.668 18.915 ( 0.819 0.000 1.545) 1.748 19.287 ( 4.976 0.000 -0.189) 4.980 28.238 ( 0.177 0.000 1.547) 1.557 28.316 ( -0.949 0.000 -1.409) 1.698 28.656 ( -2.317 0.000 -0.869) 2.474 28.723 ( 0.553 0.000 1.196) 1.317 29.721 ( -3.743 0.000 3.125) 4.876 29.931 ( 3.126 0.000 3.254) 4.512 30.203 ( -6.385 0.000 5.795) 8.623 30.887 ( -20.936 0.000 5.509) 21.649 31.079 ( -4.077 0.000 -9.938) 10.742 31.381 ( 15.548 0.000 3.204) 15.874 31.385 ( 5.102 0.000 -1.657) 5.365 31.692 ( 1.385 0.000 -2.402) 2.773 31.997 ( 3.107 0.000 8.771) 9.305 32.193 ( 1.521 0.000 -6.384) 6.563 33.371 ( -4.032 0.000 3.028) 5.042 34.121 ( 26.287 0.000 -17.016) 31.314 ======================= Grid point 79 (27/156) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -10.159 0.000 44.529) 45.673 2.009 ( 21.991 0.000 26.597) 34.511 3.292 ( 9.652 0.000 -29.251) 30.802 3.529 ( 45.788 0.000 16.127) 48.545 3.711 ( 19.978 0.000 -17.987) 26.882 4.335 ( 9.765 0.000 10.442) 14.296 4.466 ( 7.471 0.000 -14.925) 16.690 4.586 ( 25.650 0.000 6.960) 26.577 4.771 ( 33.144 0.000 2.752) 33.258 4.814 ( 15.452 0.000 2.409) 15.639 5.045 ( 12.628 0.000 2.320) 12.839 5.240 ( 7.004 0.000 -12.024) 13.915 5.315 ( 8.252 0.000 -1.483) 8.384 5.345 ( -15.432 0.000 -15.948) 22.193 5.657 ( 4.954 0.000 13.879) 14.737 6.274 ( -3.528 0.000 -9.840) 10.453 6.407 ( 3.909 0.000 -5.410) 6.675 6.548 ( 8.867 0.000 5.075) 10.217 6.583 ( -18.913 0.000 -11.631) 22.203 6.610 ( 2.768 0.000 7.323) 7.829 7.088 ( 3.237 0.000 -8.995) 9.560 7.760 ( -2.333 0.000 -6.001) 6.439 7.914 ( -18.202 0.000 -0.937) 18.226 8.052 ( -7.065 0.000 1.581) 7.239 8.239 ( 2.675 0.000 1.648) 3.142 8.250 ( 6.038 0.000 -2.469) 6.523 8.516 ( -12.973 0.000 4.662) 13.785 9.094 ( 3.139 0.000 -1.698) 3.569 9.524 ( -3.047 0.000 10.810) 11.231 9.668 ( -7.566 0.000 8.023) 11.028 9.865 ( -9.404 0.000 4.618) 10.476 10.009 ( -20.631 0.000 4.818) 21.186 10.455 ( 0.741 0.000 0.504) 0.896 10.687 ( -3.519 0.000 10.331) 10.914 10.752 ( 9.686 0.000 -3.947) 10.459 11.045 ( 7.159 0.000 -0.357) 7.168 11.210 ( -5.802 0.000 -9.951) 11.519 11.606 ( 8.131 0.000 6.713) 10.544 11.790 ( 17.127 0.000 -3.512) 17.483 12.216 ( 3.121 0.000 -7.454) 8.081 12.742 ( 3.693 0.000 6.262) 7.269 13.017 ( -5.910 0.000 -6.310) 8.645 13.595 ( 0.675 0.000 0.439) 0.805 13.776 ( -8.600 0.000 -2.443) 8.940 13.936 ( 1.184 0.000 5.729) 5.850 14.097 ( 1.268 0.000 -4.828) 4.992 14.564 ( 1.725 0.000 2.130) 2.741 14.564 ( -4.837 0.000 -1.301) 5.009 15.017 ( -0.664 0.000 -2.722) 2.802 15.124 ( -5.047 0.000 -4.895) 7.031 16.623 ( 14.918 0.000 -9.110) 17.480 16.640 ( -0.284 0.000 -1.913) 1.934 16.726 ( 2.924 0.000 0.918) 3.064 16.738 ( -1.868 0.000 -0.110) 1.871 17.637 ( -6.338 0.000 -4.061) 7.527 17.766 ( -3.535 0.000 -0.425) 3.561 18.107 ( -4.877 0.000 3.952) 6.278 18.242 ( -1.425 0.000 6.112) 6.276 18.531 ( 0.792 0.000 3.648) 3.733 18.789 ( -6.320 0.000 4.759) 7.911 18.910 ( -3.474 0.000 2.270) 4.149 19.394 ( 5.574 0.000 0.739) 5.623 28.261 ( 0.232 0.000 2.260) 2.272 28.293 ( 0.203 0.000 -1.423) 1.437 28.595 ( -3.164 0.000 -1.285) 3.415 28.735 ( -0.604 0.000 0.853) 1.045 29.681 ( -4.144 0.000 2.791) 4.996 30.037 ( 4.230 0.000 4.042) 5.850 30.182 ( -2.845 0.000 4.608) 5.415 30.661 ( -11.611 0.000 4.094) 12.312 30.874 ( -6.310 0.000 -10.048) 11.865 31.267 ( -12.671 0.000 -4.433) 13.424 31.736 ( 18.658 0.000 3.200) 18.931 31.862 ( 18.930 0.000 -3.911) 19.330 32.124 ( 0.413 0.000 9.699) 9.708 32.180 ( 2.726 0.000 -4.376) 5.156 33.364 ( 0.145 0.000 4.062) 4.064 34.283 ( 12.690 0.000 -13.518) 18.541 ======================= Grid point 80 (28/156) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -16.260 0.000 39.865) 43.054 2.543 ( 9.876 0.000 -2.930) 10.302 3.044 ( 4.771 0.000 -6.862) 8.357 3.819 ( 21.167 0.000 -17.356) 27.373 4.020 ( 4.236 0.000 0.114) 4.237 4.309 ( -11.080 0.000 -0.974) 11.122 4.727 ( -10.983 0.000 -15.692) 19.153 4.918 ( 17.285 0.000 24.642) 30.100 5.150 ( 11.856 0.000 2.386) 12.094 5.173 ( 10.326 0.000 -7.625) 12.836 5.325 ( 9.135 0.000 -0.246) 9.139 5.357 ( 35.677 0.000 3.921) 35.892 5.542 ( 15.687 0.000 6.041) 16.811 5.661 ( 41.174 0.000 -2.838) 41.271 5.863 ( 6.069 0.000 9.254) 11.067 6.100 ( -1.102 0.000 -15.273) 15.313 6.228 ( -5.211 0.000 -5.916) 7.884 6.546 ( 15.895 0.000 -2.129) 16.037 6.700 ( 3.782 0.000 4.225) 5.671 6.737 ( 0.712 0.000 2.884) 2.970 7.074 ( 7.229 0.000 -8.203) 10.934 7.561 ( -16.012 0.000 -0.533) 16.021 7.621 ( 1.696 0.000 -13.025) 13.135 8.002 ( -4.450 0.000 7.684) 8.880 8.211 ( -5.619 0.000 -0.426) 5.635 8.305 ( -0.024 0.000 2.882) 2.882 8.403 ( -4.592 0.000 2.220) 5.100 9.153 ( 7.052 0.000 -4.746) 8.500 9.511 ( -6.738 0.000 6.132) 9.110 9.568 ( -15.712 0.000 -5.414) 16.618 9.639 ( -7.574 0.000 6.891) 10.240 9.815 ( -9.897 0.000 0.698) 9.922 10.497 ( 4.006 0.000 -1.923) 4.443 10.701 ( -4.841 0.000 6.417) 8.038 10.875 ( 8.026 0.000 -3.191) 8.637 11.080 ( -1.449 0.000 -1.804) 2.314 11.106 ( 1.751 0.000 0.331) 1.783 11.812 ( 9.507 0.000 1.367) 9.605 12.086 ( 13.701 0.000 1.779) 13.816 12.130 ( -5.668 0.000 -5.386) 7.819 12.827 ( -0.687 0.000 4.290) 4.344 12.857 ( -4.251 0.000 -4.781) 6.398 13.541 ( -14.562 0.000 -0.195) 14.563 13.696 ( 5.421 0.000 8.198) 9.828 14.031 ( 2.361 0.000 4.626) 5.194 14.035 ( -3.688 0.000 -2.311) 4.352 14.467 ( -4.634 0.000 -0.751) 4.695 14.630 ( 2.993 0.000 2.690) 4.024 14.978 ( -0.086 0.000 -2.507) 2.509 15.000 ( -2.551 0.000 -5.099) 5.701 16.587 ( -1.646 0.000 -2.839) 3.282 16.721 ( -0.406 0.000 -0.362) 0.544 16.735 ( 4.686 0.000 -1.077) 4.808 16.836 ( 11.236 0.000 -6.540) 13.001 17.470 ( -7.355 0.000 -3.744) 8.253 17.722 ( -2.023 0.000 0.997) 2.255 18.078 ( -2.155 0.000 1.449) 2.596 18.243 ( -4.028 0.000 3.287) 5.199 18.582 ( 1.767 0.000 1.331) 2.212 18.728 ( -6.426 0.000 5.565) 8.501 18.857 ( -4.212 0.000 1.437) 4.450 19.470 ( 1.917 0.000 0.400) 1.958 28.295 ( 1.660 0.000 -1.257) 2.082 28.296 ( 0.601 0.000 2.721) 2.787 28.520 ( -3.394 0.000 -1.719) 3.805 28.716 ( -2.028 0.000 -0.007) 2.028 29.641 ( -3.655 0.000 2.969) 4.709 30.160 ( 4.601 0.000 3.606) 5.846 30.184 ( -1.535 0.000 2.677) 3.086 30.537 ( -7.961 0.000 4.886) 9.341 30.660 ( -6.312 0.000 -7.993) 10.184 30.959 ( -12.926 0.000 -6.891) 14.648 32.030 ( 3.459 0.000 -10.203) 10.774 32.033 ( 6.462 0.000 5.460) 8.460 32.259 ( 8.059 0.000 4.988) 9.478 32.309 ( 15.299 0.000 3.819) 15.768 33.477 ( 5.741 0.000 6.099) 8.376 34.333 ( 8.110 0.000 -10.566) 13.320 ======================= Grid point 81 (29/156) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -19.877 0.000 35.836) 40.979 2.314 ( -3.562 0.000 -18.647) 18.984 3.417 ( 15.337 0.000 12.267) 19.639 4.028 ( 1.548 0.000 6.267) 6.455 4.068 ( 22.276 0.000 -20.242) 30.099 4.132 ( -9.004 0.000 0.662) 9.028 4.463 ( -4.381 0.000 0.871) 4.467 5.189 ( -5.411 0.000 3.536) 6.464 5.213 ( 4.189 0.000 -9.273) 10.175 5.323 ( 5.181 0.000 15.624) 16.460 5.387 ( -0.105 0.000 2.010) 2.012 5.715 ( -8.728 0.000 -13.295) 15.904 5.803 ( 3.553 0.000 3.799) 5.202 5.891 ( 17.300 0.000 5.397) 18.122 5.978 ( -6.216 0.000 0.574) 6.243 6.219 ( 11.013 0.000 6.464) 12.770 6.543 ( 20.363 0.000 -4.627) 20.882 6.637 ( -8.254 0.000 -6.849) 10.726 6.835 ( 24.342 0.000 -3.906) 24.653 6.923 ( 23.647 0.000 6.344) 24.483 7.222 ( 17.870 0.000 -8.857) 19.945 7.500 ( 9.205 0.000 4.064) 10.062 7.612 ( 6.411 0.000 -5.872) 8.693 8.020 ( -3.545 0.000 7.406) 8.211 8.088 ( -5.994 0.000 0.593) 6.023 8.272 ( -5.147 0.000 0.897) 5.225 8.378 ( -1.244 0.000 -1.821) 2.205 9.222 ( 6.433 0.000 -6.250) 8.969 9.312 ( -7.452 0.000 -1.656) 7.634 9.415 ( -10.504 0.000 4.187) 11.307 9.539 ( -9.425 0.000 4.175) 10.308 9.649 ( -4.171 0.000 -6.009) 7.315 10.543 ( 8.205 0.000 -10.065) 12.985 10.650 ( -5.198 0.000 1.054) 5.303 10.976 ( 7.898 0.000 -3.270) 8.548 11.103 ( -1.896 0.000 10.117) 10.293 11.146 ( 2.146 0.000 0.185) 2.154 11.898 ( -15.773 0.000 -1.058) 15.808 11.945 ( 5.576 0.000 -1.890) 5.888 12.270 ( 5.344 0.000 0.707) 5.390 12.777 ( 0.404 0.000 -4.668) 4.685 12.813 ( -4.307 0.000 2.093) 4.789 13.304 ( -10.951 0.000 0.616) 10.968 13.917 ( 5.796 0.000 10.557) 12.044 13.932 ( -5.571 0.000 -0.167) 5.574 14.087 ( -0.075 0.000 1.257) 1.260 14.392 ( -2.795 0.000 -0.398) 2.823 14.725 ( 4.423 0.000 2.080) 4.887 14.923 ( -1.067 0.000 -3.761) 3.910 14.970 ( 1.045 0.000 -0.863) 1.356 16.554 ( 0.513 0.000 -0.629) 0.812 16.703 ( -0.301 0.000 -1.723) 1.749 16.797 ( 2.917 0.000 -0.091) 2.918 16.948 ( 8.928 0.000 -6.202) 10.871 17.316 ( -5.833 0.000 -1.657) 6.064 17.705 ( -1.526 0.000 1.509) 2.146 18.056 ( -1.383 0.000 0.327) 1.421 18.182 ( -4.853 0.000 1.052) 4.966 18.617 ( 2.231 0.000 -1.779) 2.853 18.685 ( -6.198 0.000 7.705) 9.889 18.801 ( -2.885 0.000 0.222) 2.893 19.475 ( -0.378 0.000 -1.272) 1.327 28.322 ( 2.718 0.000 -1.200) 2.971 28.341 ( 1.115 0.000 2.807) 3.021 28.438 ( -3.231 0.000 -2.315) 3.975 28.668 ( -2.757 0.000 -0.621) 2.826 29.617 ( -2.872 0.000 3.510) 4.535 30.183 ( -1.191 0.000 1.844) 2.195 30.262 ( 3.363 0.000 1.402) 3.643 30.470 ( -5.756 0.000 4.747) 7.461 30.496 ( -4.082 0.000 -4.623) 6.168 30.712 ( -6.674 0.000 -5.024) 8.354 31.933 ( -1.655 0.000 -6.555) 6.761 32.094 ( -3.696 0.000 5.463) 6.596 32.486 ( 11.082 0.000 0.943) 11.122 32.625 ( 14.305 0.000 1.523) 14.386 33.649 ( 4.314 0.000 6.683) 7.955 34.361 ( 6.445 0.000 -7.957) 10.240 ======================= Grid point 82 (30/156) ======================= q-point: ( 0.45 0.00 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -21.692 0.000 31.980) 38.643 2.264 ( 8.837 0.000 3.121) 9.372 3.602 ( -2.732 0.000 4.040) 4.877 4.060 ( -2.317 0.000 7.338) 7.695 4.062 ( 3.428 0.000 -7.219) 7.991 4.343 ( 25.001 0.000 -13.890) 28.600 4.510 ( -7.683 0.000 13.511) 15.542 5.026 ( -12.948 0.000 -4.357) 13.662 5.177 ( 3.527 0.000 5.350) 6.408 5.427 ( 2.033 0.000 1.312) 2.420 5.431 ( -5.352 0.000 6.047) 8.075 5.591 ( 6.935 0.000 -2.468) 7.361 5.893 ( -6.611 0.000 5.252) 8.443 5.902 ( 0.494 0.000 6.477) 6.495 6.075 ( 3.040 0.000 2.652) 4.034 6.276 ( -10.152 0.000 -13.034) 16.522 6.494 ( 6.013 0.000 9.543) 11.279 6.621 ( 4.801 0.000 -8.110) 9.425 7.077 ( 5.483 0.000 -1.788) 5.767 7.467 ( 15.720 0.000 6.559) 17.034 7.601 ( 15.108 0.000 -1.975) 15.236 7.617 ( 2.712 0.000 -8.352) 8.781 7.724 ( 16.464 0.000 -2.138) 16.602 8.026 ( -2.585 0.000 3.466) 4.324 8.074 ( 0.193 0.000 2.875) 2.881 8.151 ( -6.559 0.000 -7.058) 9.635 8.301 ( -2.630 0.000 3.455) 4.342 9.191 ( -7.937 0.000 -0.392) 7.947 9.258 ( -3.352 0.000 -4.573) 5.670 9.260 ( -1.190 0.000 4.232) 4.397 9.455 ( -3.484 0.000 4.059) 5.349 9.579 ( 4.002 0.000 -6.773) 7.867 10.552 ( -3.484 0.000 -4.053) 5.344 10.563 ( 8.078 0.000 -14.195) 16.333 11.124 ( 12.813 0.000 -4.144) 13.467 11.162 ( 0.484 0.000 -2.813) 2.855 11.194 ( -2.636 0.000 15.055) 15.284 11.588 ( -19.253 0.000 3.911) 19.647 11.989 ( 2.600 0.000 -2.584) 3.666 12.308 ( 1.389 0.000 -3.404) 3.676 12.744 ( -4.146 0.000 0.255) 4.154 12.755 ( 2.618 0.000 -4.470) 5.180 13.190 ( -3.562 0.000 2.195) 4.184 13.865 ( -2.285 0.000 1.987) 3.028 13.987 ( -4.572 0.000 -3.207) 5.585 14.120 ( 1.100 0.000 5.791) 5.894 14.362 ( -1.061 0.000 0.438) 1.148 14.807 ( 3.169 0.000 -1.913) 3.702 14.881 ( -0.661 0.000 0.575) 0.877 14.983 ( 0.845 0.000 -0.193) 0.867 16.578 ( 0.556 0.000 1.442) 1.545 16.695 ( 1.245 0.000 -0.132) 1.252 16.827 ( 0.739 0.000 -0.951) 1.204 17.025 ( 5.859 0.000 -4.120) 7.163 17.259 ( -0.544 0.000 2.981) 3.030 17.701 ( -0.650 0.000 1.719) 1.838 18.038 ( -0.466 0.000 -0.376) 0.598 18.112 ( -2.806 0.000 -0.807) 2.920 18.618 ( -0.795 0.000 -0.514) 0.947 18.673 ( -3.316 0.000 5.816) 6.695 18.760 ( -1.236 0.000 -0.974) 1.574 19.448 ( 0.189 0.000 -2.704) 2.711 28.356 ( -2.504 0.000 -2.731) 3.706 28.356 ( 2.140 0.000 -1.290) 2.499 28.397 ( 1.483 0.000 2.586) 2.981 28.618 ( -1.489 0.000 -0.963) 1.773 29.613 ( -2.314 0.000 4.243) 4.833 30.189 ( -0.665 0.000 2.592) 2.676 30.293 ( 0.345 0.000 -2.266) 2.292 30.422 ( -4.220 0.000 2.808) 5.069 30.432 ( 0.556 0.000 -0.844) 1.010 30.625 ( 0.319 0.000 -0.950) 1.002 31.880 ( 1.827 0.000 -2.407) 3.022 32.058 ( -4.492 0.000 2.179) 4.992 32.628 ( 3.906 0.000 -0.246) 3.914 32.810 ( 5.195 0.000 -0.513) 5.220 33.737 ( -1.880 0.000 5.025) 5.366 34.399 ( 5.717 0.000 -5.132) 7.682 ======================= Grid point 83 (31/156) ======================= q-point: (-0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -22.978 0.000 27.260) 35.652 2.648 ( 16.756 0.000 19.797) 25.936 3.511 ( -16.092 0.000 -1.308) 16.145 3.910 ( 0.257 0.000 -5.116) 5.122 4.113 ( -2.108 0.000 9.716) 9.942 4.622 ( 8.854 0.000 -4.551) 9.956 4.625 ( 5.873 0.000 14.818) 15.939 4.682 ( -3.562 0.000 -16.571) 16.950 5.308 ( -14.224 0.000 2.767) 14.491 5.421 ( 1.225 0.000 5.946) 6.071 5.500 ( 6.719 0.000 10.131) 12.156 5.830 ( 6.329 0.000 3.105) 7.050 5.834 ( -12.526 0.000 -11.321) 16.884 5.915 ( 9.804 0.000 13.772) 16.905 5.919 ( -7.593 0.000 0.079) 7.594 6.223 ( 5.751 0.000 4.012) 7.013 6.617 ( 4.045 0.000 -7.492) 8.514 6.703 ( 4.059 0.000 4.125) 5.787 7.116 ( 0.441 0.000 -0.722) 0.846 7.304 ( -27.974 0.000 -3.268) 28.164 7.553 ( -0.349 0.000 -13.961) 13.965 7.576 ( -10.411 0.000 1.085) 10.468 7.879 ( -13.641 0.000 -1.560) 13.730 7.937 ( -4.233 0.000 5.308) 6.789 8.019 ( -1.294 0.000 2.477) 2.794 8.192 ( 9.461 0.000 -2.252) 9.726 8.358 ( 1.974 0.000 4.234) 4.672 9.096 ( 1.026 0.000 -3.367) 3.519 9.209 ( 5.638 0.000 -6.643) 8.713 9.320 ( 1.833 0.000 4.484) 4.844 9.473 ( -0.379 0.000 3.594) 3.614 9.615 ( 4.985 0.000 -3.056) 5.847 10.456 ( 0.538 0.000 -8.622) 8.639 10.519 ( 3.363 0.000 -12.636) 13.076 11.098 ( -1.732 0.000 -5.836) 6.087 11.218 ( -0.696 0.000 5.234) 5.280 11.295 ( -12.692 0.000 6.949) 14.470 11.494 ( 16.127 0.000 3.466) 16.495 11.983 ( -0.642 0.000 -2.567) 2.646 12.280 ( 0.508 0.000 -4.126) 4.157 12.682 ( -1.044 0.000 -3.338) 3.497 12.781 ( 4.460 0.000 -2.575) 5.150 13.213 ( 2.279 0.000 4.067) 4.662 13.800 ( -7.964 0.000 -7.691) 11.071 13.906 ( 3.161 0.000 3.987) 5.088 14.174 ( -2.464 0.000 5.724) 6.232 14.335 ( -0.188 0.000 -2.904) 2.910 14.777 ( -1.938 0.000 -2.363) 3.056 14.925 ( 2.606 0.000 1.379) 2.949 15.000 ( 0.815 0.000 0.876) 1.196 16.601 ( 0.281 0.000 2.493) 2.509 16.724 ( 0.282 0.000 1.155) 1.189 16.798 ( -1.887 0.000 -2.317) 2.988 17.065 ( 2.686 0.000 -2.933) 3.977 17.359 ( 4.439 0.000 7.558) 8.765 17.729 ( 0.823 0.000 3.639) 3.731 18.033 ( 0.812 0.000 -1.245) 1.487 18.074 ( 0.843 0.000 -2.686) 2.815 18.584 ( -3.660 0.000 2.021) 4.181 18.680 ( -1.202 0.000 2.566) 2.833 18.735 ( 0.273 0.000 -2.209) 2.225 19.431 ( 1.530 0.000 -3.434) 3.759 28.287 ( -1.772 0.000 -2.616) 3.159 28.361 ( -0.178 0.000 -1.015) 1.031 28.455 ( 2.061 0.000 2.236) 3.041 28.605 ( 1.582 0.000 -1.715) 2.333 29.624 ( -1.987 0.000 4.967) 5.349 30.209 ( -1.177 0.000 3.254) 3.460 30.229 ( -2.760 0.000 -5.049) 5.754 30.387 ( -1.485 0.000 1.168) 1.889 30.501 ( 5.981 0.000 2.528) 6.493 30.691 ( 6.348 0.000 1.397) 6.500 31.952 ( 6.477 0.000 1.355) 6.617 31.990 ( -3.466 0.000 -1.417) 3.744 32.612 ( -5.111 0.000 -0.839) 5.180 32.792 ( -5.803 0.000 -1.618) 6.024 33.688 ( -7.879 0.000 2.741) 8.342 34.456 ( 5.039 0.000 -2.281) 5.531 ======================= Grid point 84 (32/156) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -25.206 0.000 20.988) 32.800 2.795 ( -29.544 0.000 -4.155) 29.835 3.369 ( 14.812 0.000 19.316) 24.342 4.185 ( -2.706 0.000 11.210) 11.532 4.186 ( 19.785 0.000 11.218) 22.744 4.286 ( -11.374 0.000 -13.652) 17.769 4.713 ( -12.147 0.000 -11.432) 16.680 4.925 ( 8.876 0.000 13.230) 15.932 5.049 ( -2.449 0.000 -3.601) 4.355 5.385 ( -4.513 0.000 -0.625) 4.556 5.553 ( -6.403 0.000 -4.771) 7.985 5.688 ( -3.962 0.000 12.670) 13.275 5.784 ( -17.139 0.000 6.301) 18.261 5.977 ( 9.249 0.000 6.877) 11.526 6.232 ( -12.747 0.000 2.150) 12.927 6.320 ( 5.350 0.000 7.783) 9.444 6.570 ( -5.926 0.000 4.540) 7.465 6.579 ( -16.317 0.000 -12.966) 20.841 6.758 ( -14.421 0.000 -3.608) 14.866 7.002 ( -18.819 0.000 2.875) 19.037 7.357 ( -4.881 0.000 -2.200) 5.354 7.466 ( 8.674 0.000 -15.328) 17.612 7.469 ( -18.109 0.000 1.579) 18.177 7.960 ( -2.337 0.000 7.742) 8.087 8.096 ( 5.600 0.000 0.312) 5.609 8.241 ( -0.041 0.000 -4.624) 4.624 8.461 ( 2.372 0.000 8.014) 8.357 9.035 ( 0.542 0.000 -11.600) 11.613 9.311 ( 8.793 0.000 -3.928) 9.631 9.401 ( 5.055 0.000 -1.131) 5.180 9.492 ( -1.645 0.000 2.666) 3.133 9.675 ( 3.082 0.000 0.457) 3.116 10.382 ( 2.984 0.000 -11.419) 11.803 10.431 ( 0.432 0.000 -8.940) 8.950 11.021 ( 1.212 0.000 -5.717) 5.844 11.166 ( -10.328 0.000 9.547) 14.065 11.278 ( 2.138 0.000 3.853) 4.406 11.878 ( 20.902 0.000 1.262) 20.940 11.886 ( -7.145 0.000 -3.562) 7.983 12.234 ( -3.274 0.000 -0.943) 3.407 12.622 ( 0.704 0.000 -7.783) 7.815 12.844 ( 3.848 0.000 -0.099) 3.849 13.352 ( 7.494 0.000 4.708) 8.850 13.599 ( -4.736 0.000 -5.991) 7.637 14.050 ( 6.719 0.000 5.789) 8.869 14.121 ( -8.031 0.000 2.952) 8.557 14.356 ( 5.727 0.000 -1.637) 5.957 14.724 ( -2.392 0.000 0.580) 2.462 14.984 ( 3.589 0.000 -0.474) 3.621 15.031 ( 1.018 0.000 1.593) 1.891 16.643 ( 0.789 0.000 2.936) 3.040 16.716 ( -1.495 0.000 -0.347) 1.535 16.718 ( -2.881 0.000 -4.017) 4.943 17.051 ( -0.530 0.000 -3.487) 3.527 17.537 ( 4.852 0.000 8.845) 10.088 17.812 ( 1.205 0.000 8.567) 8.651 18.037 ( 2.031 0.000 -2.810) 3.467 18.078 ( 3.182 0.000 -4.118) 5.204 18.536 ( -4.400 0.000 2.629) 5.126 18.682 ( -0.987 0.000 1.446) 1.751 18.724 ( 1.979 0.000 -3.563) 4.075 19.422 ( 1.421 0.000 -3.729) 3.991 28.238 ( -0.945 0.000 -2.040) 2.249 28.341 ( -0.878 0.000 -0.109) 0.884 28.518 ( 2.496 0.000 1.903) 3.139 28.621 ( 2.683 0.000 -3.268) 4.229 29.647 ( -1.647 0.000 5.451) 5.694 30.105 ( -3.969 0.000 -5.897) 7.109 30.194 ( -3.464 0.000 1.887) 3.944 30.420 ( 3.096 0.000 2.394) 3.913 30.685 ( 9.754 0.000 4.672) 10.815 30.861 ( 10.947 0.000 0.396) 10.955 31.909 ( -2.040 0.000 -4.310) 4.769 32.116 ( 8.148 0.000 3.328) 8.801 32.430 ( -13.838 0.000 -1.086) 13.881 32.586 ( -14.697 0.000 -1.096) 14.738 33.539 ( -10.612 0.000 1.775) 10.759 34.526 ( 4.120 0.000 -0.110) 4.122 ======================= Grid point 85 (33/156) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -28.787 0.000 13.767) 31.909 2.093 ( -37.830 0.000 -6.160) 38.328 3.824 ( -30.292 0.000 -20.338) 36.486 3.893 ( 13.147 0.000 19.827) 23.790 4.230 ( -9.686 0.000 5.828) 11.304 4.267 ( -10.032 0.000 4.675) 11.067 4.656 ( 14.832 0.000 9.566) 17.649 4.964 ( -8.139 0.000 -14.071) 16.255 5.009 ( -13.325 0.000 -1.069) 13.368 5.286 ( -31.035 0.000 7.703) 31.976 5.421 ( 0.558 0.000 8.044) 8.063 5.510 ( -8.034 0.000 4.535) 9.226 5.689 ( -9.718 0.000 15.108) 17.963 5.865 ( -24.661 0.000 3.271) 24.877 5.890 ( -31.775 0.000 6.961) 32.529 6.180 ( 1.117 0.000 2.350) 2.602 6.360 ( 4.061 0.000 -11.519) 12.214 6.462 ( -10.610 0.000 -12.005) 16.021 6.612 ( -11.169 0.000 0.781) 11.196 6.777 ( 4.048 0.000 11.215) 11.923 7.345 ( 2.466 0.000 -2.263) 3.347 7.499 ( 11.260 0.000 -14.900) 18.676 7.569 ( 18.551 0.000 5.271) 19.286 7.999 ( -0.704 0.000 4.541) 4.595 8.165 ( 2.111 0.000 -2.909) 3.594 8.194 ( 3.996 0.000 -5.555) 6.843 8.577 ( -0.410 0.000 9.290) 9.299 8.882 ( -1.680 0.000 -13.740) 13.842 9.391 ( 4.289 0.000 -5.106) 6.668 9.469 ( 6.635 0.000 -6.158) 9.052 9.472 ( -2.359 0.000 3.917) 4.572 9.708 ( -0.566 0.000 -1.191) 1.318 10.315 ( 3.670 0.000 -12.287) 12.824 10.383 ( 2.666 0.000 -3.126) 4.109 11.032 ( 4.947 0.000 -2.984) 5.777 11.104 ( -8.498 0.000 8.530) 12.041 11.382 ( 4.965 0.000 3.574) 6.117 11.654 ( -13.907 0.000 -3.807) 14.419 12.108 ( -10.401 0.000 -0.113) 10.402 12.207 ( 13.227 0.000 1.163) 13.278 12.541 ( 0.133 0.000 -8.607) 8.608 12.916 ( 4.629 0.000 -0.357) 4.643 13.548 ( 3.722 0.000 -1.218) 3.916 13.551 ( 8.945 0.000 3.629) 9.653 13.998 ( -8.190 0.000 2.134) 8.463 14.256 ( 7.704 0.000 7.742) 10.922 14.475 ( 7.469 0.000 0.781) 7.510 14.725 ( 0.155 0.000 4.319) 4.322 15.049 ( 5.504 0.000 -2.302) 5.966 15.060 ( 0.556 0.000 0.727) 0.915 16.627 ( -1.350 0.000 -5.324) 5.492 16.654 ( -1.940 0.000 -1.246) 2.306 16.705 ( 1.694 0.000 0.654) 1.816 16.962 ( -3.983 0.000 -6.306) 7.458 17.708 ( 4.056 0.000 8.143) 9.097 17.943 ( -0.846 0.000 12.700) 12.729 18.054 ( 4.109 0.000 -1.606) 4.411 18.075 ( 1.347 0.000 -4.931) 5.112 18.490 ( -4.644 0.000 4.204) 6.264 18.681 ( -0.562 0.000 1.424) 1.531 18.734 ( 4.147 0.000 -4.614) 6.203 19.392 ( -0.495 0.000 -3.576) 3.610 28.209 ( -0.205 0.000 -1.387) 1.402 28.336 ( -0.234 0.000 1.031) 1.058 28.584 ( 2.725 0.000 1.735) 3.231 28.620 ( 2.009 0.000 -5.006) 5.394 29.681 ( -1.293 0.000 5.595) 5.742 29.977 ( -3.394 0.000 -5.143) 6.162 30.148 ( -3.486 0.000 2.110) 4.074 30.528 ( 5.140 0.000 3.213) 6.062 30.915 ( 9.794 0.000 3.783) 10.499 31.071 ( 13.639 0.000 -2.616) 13.888 31.830 ( -0.602 0.000 -6.011) 6.041 32.111 ( -20.487 0.000 -0.213) 20.488 32.207 ( -9.907 0.000 -0.677) 9.930 32.350 ( -3.720 0.000 5.087) 6.302 33.387 ( -8.014 0.000 2.634) 8.436 34.594 ( 3.283 0.000 -0.032) 3.283 ======================= Grid point 86 (34/156) ======================= q-point: (-0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -31.372 0.000 9.492) 32.777 1.368 ( -39.333 0.000 1.128) 39.349 2.777 ( -63.842 0.000 -10.337) 64.674 4.011 ( -23.820 0.000 8.470) 25.281 4.151 ( -4.187 0.000 3.927) 5.740 4.265 ( -7.151 0.000 12.690) 14.566 4.487 ( -16.173 0.000 -14.729) 21.875 4.518 ( -37.549 0.000 -7.693) 38.329 4.788 ( -1.976 0.000 -1.561) 2.518 4.968 ( -19.306 0.000 5.691) 20.128 5.132 ( -11.166 0.000 14.491) 18.294 5.363 ( -9.886 0.000 -3.768) 10.579 5.420 ( -24.744 0.000 -0.430) 24.747 5.662 ( -11.385 0.000 9.823) 15.037 6.141 ( 10.643 0.000 17.803) 20.742 6.227 ( 18.534 0.000 -0.741) 18.549 6.235 ( -1.567 0.000 -7.012) 7.185 6.389 ( 7.545 0.000 -5.303) 9.222 6.550 ( 2.387 0.000 -0.646) 2.473 6.998 ( 8.445 0.000 3.977) 9.335 7.392 ( 2.859 0.000 -0.837) 2.979 7.527 ( 7.980 0.000 -10.590) 13.260 7.937 ( 14.649 0.000 2.129) 14.803 8.020 ( 1.319 0.000 -2.634) 2.946 8.082 ( -6.157 0.000 -4.714) 7.754 8.307 ( 14.607 0.000 -5.977) 15.783 8.627 ( -2.055 0.000 2.451) 3.198 8.726 ( -0.224 0.000 -10.113) 10.116 9.295 ( -7.825 0.000 -1.454) 7.959 9.509 ( 3.691 0.000 -2.022) 4.209 9.598 ( -6.295 0.000 -5.968) 8.674 9.613 ( 11.981 0.000 4.056) 12.649 10.256 ( 4.111 0.000 -10.841) 11.595 10.463 ( 5.137 0.000 2.841) 5.870 11.010 ( -12.353 0.000 7.617) 14.513 11.107 ( 1.854 0.000 2.682) 3.261 11.326 ( -16.363 0.000 -5.334) 17.210 11.536 ( 9.631 0.000 1.116) 9.696 11.900 ( -10.021 0.000 -2.078) 10.234 12.348 ( 1.682 0.000 0.669) 1.810 12.449 ( -1.879 0.000 -4.809) 5.163 12.980 ( 5.216 0.000 -7.111) 8.819 13.672 ( 8.134 0.000 1.137) 8.213 13.728 ( 6.501 0.000 3.500) 7.384 13.886 ( -7.152 0.000 3.180) 7.827 14.436 ( 3.234 0.000 4.880) 5.854 14.616 ( 6.105 0.000 1.797) 6.364 14.841 ( 5.680 0.000 5.254) 7.738 15.064 ( -0.047 0.000 -0.561) 0.563 15.141 ( 8.743 0.000 -3.197) 9.309 16.561 ( 0.713 0.000 -6.492) 6.531 16.601 ( -0.623 0.000 -2.996) 3.060 16.751 ( 2.832 0.000 -0.334) 2.852 16.765 ( -7.423 0.000 -10.997) 13.268 17.854 ( 2.958 0.000 7.160) 7.747 17.973 ( -0.194 0.000 -2.229) 2.237 18.020 ( -1.148 0.000 -4.870) 5.003 18.243 ( 5.783 0.000 16.982) 17.939 18.481 ( -5.100 0.000 13.701) 14.620 18.705 ( 0.176 0.000 4.784) 4.787 18.768 ( 5.130 0.000 -4.880) 7.080 19.330 ( -2.389 0.000 -2.695) 3.601 28.200 ( 0.404 0.000 -0.718) 0.824 28.352 ( 0.121 0.000 1.716) 1.720 28.591 ( 1.346 0.000 -5.322) 5.490 28.647 ( 2.248 0.000 1.392) 2.644 29.718 ( -1.318 0.000 5.511) 5.666 29.883 ( -1.890 0.000 -3.335) 3.834 30.138 ( -1.884 0.000 6.614) 6.877 30.658 ( 5.718 0.000 2.765) 6.352 31.085 ( 7.798 0.000 -1.767) 7.996 31.270 ( 11.348 0.000 -3.944) 12.014 31.677 ( -14.395 0.000 -8.861) 16.904 31.818 ( -7.579 0.000 5.980) 9.654 31.926 ( -15.166 0.000 0.822) 15.189 32.399 ( -2.130 0.000 4.816) 5.266 33.335 ( -1.724 0.000 3.890) 4.255 34.620 ( 2.652 0.000 -7.543) 7.996 ======================= Grid point 87 (35/156) ======================= q-point: (-0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -29.859 0.000 8.441) 31.029 0.788 ( -34.900 0.000 21.561) 41.023 1.515 ( -73.522 0.000 20.355) 76.288 3.440 ( -37.140 0.000 1.380) 37.166 3.757 ( -29.027 0.000 -4.629) 29.393 3.966 ( -10.585 0.000 -7.739) 13.112 4.196 ( -8.251 0.000 -2.604) 8.652 4.355 ( -4.476 0.000 11.753) 12.576 4.629 ( -13.738 0.000 -1.805) 13.857 4.831 ( 5.119 0.000 -5.091) 7.220 5.128 ( -8.091 0.000 4.847) 9.432 5.140 ( -5.651 0.000 7.397) 9.309 5.186 ( -4.374 0.000 -4.012) 5.935 5.553 ( -6.676 0.000 -0.115) 6.677 6.208 ( 4.379 0.000 -6.269) 7.647 6.221 ( 2.220 0.000 -3.683) 4.300 6.484 ( 5.561 0.000 1.880) 5.871 6.598 ( 3.178 0.000 -0.750) 3.266 6.839 ( 25.879 0.000 8.816) 27.340 7.141 ( 5.023 0.000 1.349) 5.201 7.309 ( -6.066 0.000 -14.027) 15.282 7.573 ( 4.101 0.000 -2.799) 4.965 7.924 ( -5.402 0.000 -0.987) 5.492 7.968 ( 2.090 0.000 -11.597) 11.784 8.110 ( 3.542 0.000 1.093) 3.706 8.426 ( -9.960 0.000 -7.954) 12.746 8.590 ( 15.706 0.000 -1.305) 15.760 8.696 ( 2.234 0.000 3.226) 3.924 9.156 ( -6.172 0.000 1.038) 6.258 9.458 ( -4.824 0.000 3.368) 5.883 9.703 ( 13.866 0.000 28.009) 31.254 9.956 ( 20.660 0.000 3.861) 21.018 10.259 ( 5.544 0.000 -3.444) 6.526 10.596 ( 5.088 0.000 7.222) 8.835 10.829 ( -14.800 0.000 5.226) 15.696 10.861 ( -26.561 0.000 1.154) 26.586 11.225 ( 3.141 0.000 -0.279) 3.153 11.734 ( 12.937 0.000 -2.635) 13.203 11.747 ( -2.193 0.000 -5.526) 5.945 12.304 ( -4.816 0.000 -3.681) 6.062 12.396 ( -1.527 0.000 1.666) 2.260 12.815 ( -12.840 0.000 -23.906) 27.136 13.744 ( -0.161 0.000 -3.763) 3.767 13.851 ( 2.331 0.000 3.322) 4.058 13.871 ( -0.091 0.000 6.925) 6.926 14.473 ( -1.011 0.000 -2.298) 2.511 14.711 ( 2.320 0.000 1.100) 2.567 14.786 ( -11.571 0.000 -25.077) 27.618 15.055 ( 0.129 0.000 -0.830) 0.840 15.256 ( 6.393 0.000 -7.610) 9.938 16.487 ( -0.505 0.000 -2.529) 2.579 16.559 ( -4.038 0.000 -3.278) 5.201 16.581 ( 1.904 0.000 -2.683) 3.290 16.790 ( 2.296 0.000 -1.307) 2.642 17.925 ( -1.308 0.000 -1.107) 1.714 17.936 ( 0.748 0.000 -4.679) 4.739 17.990 ( 1.471 0.000 3.927) 4.193 18.396 ( 1.037 0.000 1.254) 1.627 18.691 ( 2.241 0.000 6.865) 7.222 18.808 ( 4.775 0.000 -3.952) 6.198 19.017 ( 18.522 0.000 41.964) 45.870 19.265 ( -2.054 0.000 -1.331) 2.448 28.206 ( 0.639 0.000 -0.012) 0.639 28.361 ( -0.553 0.000 0.258) 0.610 28.588 ( 2.815 0.000 0.880) 2.949 28.688 ( 0.917 0.000 0.659) 1.130 29.746 ( -2.104 0.000 5.028) 5.451 29.843 ( -0.060 0.000 -0.913) 0.915 30.281 ( 5.666 0.000 14.342) 15.421 30.857 ( 15.022 0.000 14.755) 21.056 31.167 ( 6.958 0.000 -6.347) 9.418 31.327 ( -14.108 0.000 -1.662) 14.206 31.344 ( 1.382 0.000 -3.966) 4.200 31.756 ( -4.372 0.000 0.393) 4.389 31.832 ( -1.336 0.000 8.228) 8.336 32.364 ( -5.593 0.000 2.463) 6.112 33.376 ( 0.313 0.000 4.014) 4.026 34.310 ( -20.174 0.000 -48.477) 52.508 ======================= Grid point 88 (36/156) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 12.610 28.478 14.060) 34.171 1.204 ( -7.262 27.672 31.734) 42.726 1.794 ( -1.458 48.262 37.597) 61.195 2.938 ( -5.025 -3.365 -8.186) 10.178 3.490 ( 5.061 -3.871 3.432) 7.237 3.749 ( -1.230 -1.476 -9.813) 10.000 3.945 ( -4.616 -17.926 8.786) 20.490 4.124 ( -0.473 -0.867 -11.395) 11.438 4.655 ( 1.332 0.817 -0.182) 1.574 4.758 ( 0.285 2.511 1.146) 2.774 4.986 ( 1.983 -4.433 -0.999) 4.958 5.153 ( -2.575 1.103 2.997) 4.102 5.371 ( -4.371 3.595 -7.861) 9.686 5.535 ( -1.996 16.514 -4.057) 17.121 6.081 ( 3.474 -6.029 -2.485) 7.388 6.283 ( 1.833 0.074 -16.609) 16.710 6.350 ( -2.164 -14.252 4.393) 15.070 6.503 ( -6.145 -3.188 -5.500) 8.842 6.953 ( 1.912 -9.060 -4.221) 10.176 6.982 ( -6.516 -1.144 -8.091) 10.451 7.349 ( -0.675 2.402 4.032) 4.742 7.740 ( 2.208 4.304 -1.535) 5.075 7.821 ( 6.063 -3.071 3.885) 7.828 7.976 ( 7.342 -2.100 -6.387) 9.955 8.240 ( 4.578 4.438 0.874) 6.436 8.308 ( -5.347 6.189 1.100) 8.252 8.860 ( 1.804 0.283 -0.624) 1.930 8.909 ( 4.780 -1.330 11.666) 12.677 9.164 ( 1.319 2.105 -1.719) 3.021 9.584 ( 5.487 1.904 11.313) 12.716 10.145 ( 4.676 -17.829 12.079) 22.037 10.220 ( 13.182 -18.354 9.350) 24.455 10.327 ( -6.825 -1.549 2.589) 7.462 10.495 ( -1.938 -13.859 15.552) 20.921 10.699 ( -3.651 3.252 0.342) 4.901 10.736 ( -4.104 6.338 4.022) 8.555 11.190 ( 4.459 -4.278 -3.374) 7.041 11.260 ( -7.498 -4.150 2.424) 8.906 12.056 ( -8.677 8.597 -25.533) 28.304 12.123 ( 17.423 4.156 -12.134) 21.635 12.503 ( -8.523 9.775 7.457) 14.960 13.010 ( 26.929 11.370 -1.692) 29.280 13.596 ( -2.354 -6.439 -4.015) 7.945 13.788 ( -4.163 -0.768 -4.761) 6.371 13.904 ( -2.914 1.272 3.335) 4.608 14.101 ( -6.902 0.109 7.592) 10.261 14.509 ( -1.390 1.055 2.650) 3.173 14.716 ( -4.669 -0.740 -0.253) 4.734 15.047 ( 0.407 -0.470 -1.926) 2.024 15.247 ( 3.272 -2.219 -3.813) 5.493 16.464 ( -3.347 1.065 -1.915) 4.001 16.579 ( 2.395 -0.607 3.090) 3.956 16.640 ( 1.196 2.489 -0.299) 2.777 16.921 ( 4.320 2.655 -8.794) 10.151 17.807 ( 1.873 -2.609 -4.782) 5.761 17.922 ( -0.516 0.156 -4.854) 4.884 18.195 ( 3.908 9.630 4.277) 11.239 18.430 ( -3.387 1.632 2.676) 4.615 18.710 ( -5.387 0.234 5.060) 7.394 18.767 ( -9.666 -3.278 -1.988) 10.399 19.043 ( -7.470 -0.423 4.692) 8.831 19.203 ( 1.394 -3.660 -0.100) 3.918 28.320 ( 0.210 3.647 -1.936) 4.135 28.392 ( -0.984 4.820 -1.915) 5.279 28.626 ( 2.082 -4.267 2.463) 5.349 28.685 ( -0.699 -0.696 -0.361) 1.051 29.771 ( -2.825 2.782 4.155) 5.743 30.057 ( 0.331 4.397 -0.057) 4.410 30.470 ( -3.767 13.921 -18.003) 23.067 31.121 ( -1.158 -5.907 -7.652) 9.736 31.191 ( 2.487 0.873 0.544) 2.692 31.284 ( -2.912 -0.755 -1.798) 3.504 31.439 ( -16.522 2.065 -0.313) 16.654 31.624 ( 8.593 -4.594 0.739) 9.772 32.009 ( 1.383 13.279 -0.972) 13.386 32.300 ( -4.207 2.766 -2.107) 5.458 33.147 ( 19.641 -21.683 20.537) 35.745 33.341 ( -1.856 -8.007 5.383) 9.825 ======================= Grid point 89 (37/156) ======================= q-point: ( 0.09 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 14.366 16.054 28.093) 35.402 1.580 ( 10.815 18.575 32.867) 39.272 2.540 ( 40.602 28.660 30.583) 58.354 3.085 ( 30.398 -1.646 -14.778) 33.840 3.705 ( 11.134 2.349 -14.553) 18.474 3.912 ( 30.131 -6.570 5.960) 31.410 3.995 ( 1.540 -16.958 0.482) 17.035 4.146 ( 16.009 -0.355 -1.091) 16.050 4.650 ( 1.016 3.084 -4.755) 5.758 4.816 ( 4.711 1.197 -0.054) 4.861 4.934 ( -4.574 4.196 -2.385) 6.650 5.097 ( 2.530 -6.644 -11.245) 13.304 5.331 ( 0.863 -2.818 5.145) 5.929 5.490 ( 3.145 9.884 -6.168) 12.068 5.971 ( -10.475 6.491 -17.564) 21.456 6.170 ( 3.660 -8.479 -0.203) 9.237 6.329 ( -4.249 -8.558 -4.537) 10.577 6.425 ( 4.905 -4.442 4.494) 7.999 6.732 ( -6.659 9.647 -3.711) 12.296 6.970 ( -9.408 -13.386 -0.137) 16.362 7.121 ( -7.274 3.485 -10.661) 13.368 7.790 ( 1.479 0.495 -0.665) 1.696 7.996 ( 1.101 -6.867 -3.720) 7.887 8.057 ( 7.530 0.022 4.664) 8.857 8.210 ( -5.256 4.038 0.581) 6.654 8.331 ( 5.401 9.699 -2.238) 11.325 8.706 ( -13.597 -2.948 0.853) 13.939 9.052 ( -0.855 -2.406 4.553) 5.220 9.325 ( 7.190 -0.011 13.101) 14.945 9.777 ( -3.760 -1.866 12.260) 12.959 9.917 ( -13.669 2.353 1.911) 14.001 10.269 ( -25.066 -16.284 14.077) 33.040 10.359 ( 1.394 -7.748 1.604) 8.034 10.574 ( 7.110 0.446 0.266) 7.129 10.698 ( 1.829 3.181 2.797) 4.614 10.873 ( 11.503 4.264 2.167) 12.457 11.257 ( 8.119 -8.597 -3.971) 12.473 11.367 ( 5.031 -6.628 0.631) 8.345 11.788 ( 2.273 9.847 -13.377) 16.765 12.256 ( 10.245 2.685 -11.578) 15.691 12.481 ( -1.462 0.248 7.259) 7.408 13.328 ( 5.642 6.287 -5.133) 9.885 13.561 ( 3.928 -12.369 -4.616) 13.775 13.675 ( -1.214 -0.437 -4.697) 4.871 13.845 ( -6.748 -3.168 3.471) 8.223 14.127 ( -0.724 2.714 6.356) 6.949 14.524 ( -0.885 0.976 2.528) 2.851 14.678 ( 2.351 0.050 -3.487) 4.206 15.029 ( -0.138 -0.890 -2.699) 2.846 15.228 ( -1.226 -1.774 -3.218) 3.873 16.434 ( 3.723 -0.279 -2.267) 4.368 16.629 ( 1.313 -1.494 0.476) 2.045 16.680 ( 2.512 2.228 0.720) 3.434 16.896 ( 1.876 4.174 -5.933) 7.493 17.770 ( -0.601 -1.225 -5.357) 5.529 17.841 ( -2.472 -0.127 -4.669) 5.285 18.250 ( -13.041 5.734 4.749) 15.017 18.314 ( -3.967 7.984 6.986) 11.327 18.533 ( -4.685 3.947 3.878) 7.250 18.749 ( -2.625 -6.183 4.145) 7.893 18.987 ( -3.582 3.967 2.665) 5.972 19.273 ( 5.497 -1.644 0.369) 5.749 28.295 ( -1.273 4.059 0.512) 4.285 28.355 ( -1.098 3.765 -1.413) 4.168 28.643 ( -2.201 -1.672 -0.320) 2.782 28.681 ( 0.655 -3.026 1.297) 3.357 29.751 ( -3.983 2.864 3.493) 6.022 30.067 ( 0.544 5.438 1.250) 5.607 30.239 ( -7.127 7.320 -1.349) 10.305 30.843 ( -15.748 -3.566 -0.006) 16.146 31.120 ( -7.034 3.081 -5.362) 9.366 31.318 ( 6.534 -3.203 0.042) 7.277 31.443 ( 10.086 2.985 0.934) 10.559 31.654 ( -0.223 -2.592 -0.858) 2.740 32.124 ( 4.971 10.813 5.250) 13.008 32.257 ( 4.875 6.132 -5.449) 9.543 33.300 ( -3.723 -6.809 3.192) 8.391 33.807 ( 27.707 -25.238 -4.236) 37.717 ======================= Grid point 90 (38/156) ======================= q-point: ( 0.18 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -6.597 12.406 36.383) 39.002 2.194 ( 20.469 16.453 24.173) 35.694 3.265 ( 8.963 -2.057 -22.369) 24.186 3.608 ( 32.346 3.798 6.236) 33.160 3.776 ( 18.869 6.817 -15.539) 25.377 4.209 ( 22.685 -6.028 10.879) 25.870 4.376 ( 9.664 -8.736 6.126) 14.396 4.635 ( 26.985 0.955 -7.786) 28.102 4.795 ( 17.329 1.332 2.757) 17.598 4.844 ( 18.618 2.779 0.057) 18.824 4.960 ( 10.568 -5.905 -3.891) 12.715 5.121 ( 10.656 -1.493 -5.436) 12.055 5.324 ( -4.654 -3.081 -5.771) 8.028 5.471 ( 3.986 5.720 -10.596) 12.684 5.728 ( -1.600 5.845 5.227) 8.003 6.230 ( 4.681 -5.964 -10.499) 12.950 6.282 ( 5.172 -3.090 2.139) 6.394 6.536 ( -13.227 -1.507 -7.542) 15.300 6.547 ( -0.563 -6.390 2.105) 6.751 6.754 ( 0.347 11.243 6.203) 12.845 7.081 ( 4.377 -2.339 -4.268) 6.545 7.738 ( -4.132 -2.605 -8.472) 9.779 7.829 ( -9.988 -5.229 -3.714) 11.871 8.113 ( -7.431 5.004 2.237) 9.234 8.184 ( 0.497 0.516 2.940) 3.026 8.400 ( 4.345 8.745 -2.524) 10.086 8.487 ( -12.406 -2.918 4.743) 13.599 9.081 ( 2.292 -3.154 -0.075) 3.900 9.519 ( -1.628 1.567 6.776) 7.143 9.635 ( -10.637 -2.305 8.423) 13.763 9.904 ( -4.062 1.320 6.793) 8.024 9.948 ( -19.880 -5.321 3.331) 20.847 10.390 ( 0.181 -4.134 1.753) 4.494 10.707 ( 9.354 -1.083 -5.666) 10.990 10.747 ( -1.924 0.912 7.469) 7.767 11.031 ( 2.650 -1.074 1.727) 3.340 11.248 ( 1.789 3.181 -10.340) 10.965 11.551 ( 11.632 -5.340 6.205) 14.224 11.829 ( 12.378 4.775 -6.385) 14.724 12.256 ( 2.553 3.017 -8.284) 9.178 12.559 ( 1.161 -8.824 4.293) 9.881 13.224 ( -9.763 8.169 -2.019) 12.889 13.537 ( -3.291 -13.726 -1.401) 14.185 13.637 ( 0.275 1.042 0.382) 1.143 13.782 ( -3.679 -9.185 2.624) 10.236 14.196 ( 2.268 4.629 4.150) 6.617 14.502 ( -4.563 -0.440 2.264) 5.113 14.695 ( 3.214 4.050 -3.379) 6.176 14.983 ( -0.667 -0.776 -3.966) 4.096 15.154 ( -2.475 1.517 -3.057) 4.216 16.530 ( 7.532 -3.365 -1.378) 8.364 16.637 ( -0.089 -0.516 -1.138) 1.253 16.743 ( 4.845 2.102 -0.978) 5.371 16.870 ( 2.071 6.075 -4.984) 8.126 17.659 ( -5.456 1.239 -4.846) 7.402 17.751 ( -2.537 -1.237 -2.911) 4.054 18.090 ( -8.327 1.440 5.788) 10.243 18.349 ( -2.252 7.191 4.372) 8.712 18.539 ( 0.067 0.681 2.623) 2.711 18.724 ( -5.477 -5.656 5.236) 9.455 18.950 ( -3.794 3.658 2.410) 5.795 19.377 ( 4.723 -1.839 0.758) 5.125 28.293 ( -0.603 2.850 2.038) 3.555 28.327 ( -0.299 3.126 -1.161) 3.348 28.584 ( -3.050 -0.994 -1.223) 3.433 28.698 ( -0.456 -3.254 1.086) 3.461 29.709 ( -4.413 2.799 3.085) 6.068 30.111 ( 1.146 2.433 3.788) 4.646 30.168 ( -2.245 2.500 1.995) 3.907 30.631 ( -9.598 -2.489 1.441) 10.020 30.914 ( -7.924 3.409 -7.669) 11.542 31.239 ( -11.846 -2.689 -3.986) 12.785 31.664 ( 12.484 -4.686 0.584) 13.348 31.763 ( 11.814 -6.610 -2.195) 13.714 32.280 ( 5.777 12.238 7.005) 15.239 32.355 ( 9.877 14.597 -2.446) 17.793 33.298 ( 0.535 -6.299 4.005) 7.483 34.091 ( 14.950 -17.423 -9.347) 24.788 ======================= Grid point 91 (39/156) ======================= q-point: ( 0.27 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -14.134 10.251 34.767) 38.905 2.712 ( 9.212 15.999 -2.961) 18.697 3.022 ( 3.965 -2.747 -6.437) 8.043 3.836 ( 16.824 1.685 -12.471) 21.009 3.983 ( 5.497 -0.998 -2.263) 6.028 4.340 ( -10.093 0.330 -0.419) 10.107 4.697 ( 6.732 -9.983 11.943) 16.960 4.797 ( -8.582 -4.390 -8.303) 12.723 5.089 ( 8.842 -5.919 -2.871) 11.020 5.148 ( 13.499 -0.720 0.187) 13.519 5.248 ( 18.074 -3.885 1.880) 18.582 5.411 ( 27.674 3.121 0.492) 27.854 5.506 ( 9.861 -6.305 1.095) 11.756 5.684 ( 37.569 1.498 -0.306) 37.600 5.837 ( 7.542 1.972 2.995) 8.351 6.206 ( 8.150 7.040 -11.133) 15.490 6.288 ( -0.736 3.854 0.716) 3.988 6.541 ( 19.846 1.425 1.798) 19.978 6.615 ( 3.345 -5.345 0.759) 6.351 6.822 ( -0.961 7.421 0.565) 7.504 7.121 ( 4.640 1.037 -3.818) 6.098 7.492 ( -8.505 -3.623 -1.989) 9.456 7.700 ( 1.746 4.640 -10.293) 11.424 8.017 ( -5.325 -0.805 2.575) 5.969 8.167 ( -6.295 1.389 6.039) 8.833 8.352 ( -6.074 -0.936 1.790) 6.401 8.443 ( 1.678 5.977 -0.980) 6.285 9.134 ( 4.942 -4.256 -2.690) 7.055 9.414 ( -9.202 -1.010 0.896) 9.300 9.605 ( -9.675 -0.465 3.231) 10.210 9.644 ( -11.918 -0.991 1.681) 12.076 9.866 ( -5.789 3.715 2.132) 7.201 10.401 ( 0.351 -3.780 -0.620) 3.846 10.759 ( 2.731 -4.595 -1.610) 5.583 10.805 ( 3.291 -1.049 -1.635) 3.821 11.062 ( -0.862 1.565 5.038) 5.345 11.208 ( 2.001 6.556 -3.476) 7.686 11.804 ( 10.712 -2.137 1.377) 11.010 12.006 ( 9.670 -4.049 -2.557) 10.791 12.167 ( -5.229 1.674 -3.768) 6.659 12.590 ( -0.251 -11.391 1.013) 11.439 12.990 ( -13.895 -1.776 -0.216) 14.010 13.433 ( -7.252 -5.223 0.598) 8.957 13.711 ( 1.578 -1.192 5.262) 5.621 13.775 ( 1.739 -6.853 3.009) 7.683 14.289 ( 2.997 5.144 3.568) 6.941 14.416 ( -6.497 1.689 1.249) 6.829 14.733 ( 3.589 5.140 -0.513) 6.290 14.938 ( 0.405 1.282 -3.486) 3.736 15.095 ( -0.597 4.843 -2.240) 5.369 16.588 ( -0.654 -0.054 -1.755) 1.874 16.649 ( 3.811 -1.737 -0.131) 4.191 16.815 ( 3.204 2.145 -1.098) 4.009 16.877 ( 6.670 4.103 -7.130) 10.591 17.492 ( -7.228 1.981 -4.180) 8.582 17.696 ( -1.654 -2.596 -0.542) 3.126 18.043 ( -3.402 -0.840 3.393) 4.878 18.316 ( -5.253 4.733 2.275) 7.428 18.571 ( 1.428 -1.192 0.261) 1.878 18.683 ( -5.808 -4.107 6.515) 9.646 18.903 ( -3.694 4.456 1.407) 5.957 19.436 ( 1.207 -3.311 0.047) 3.524 28.308 ( 0.011 1.529 1.183) 1.933 28.328 ( 1.071 2.689 0.498) 2.937 28.513 ( -3.171 -0.615 -1.708) 3.654 28.685 ( -1.793 -2.860 0.260) 3.386 29.667 ( -3.888 2.650 3.151) 5.663 30.139 ( -2.122 -4.237 3.271) 5.758 30.210 ( 3.369 4.518 2.401) 6.126 30.516 ( -6.336 -1.739 2.999) 7.223 30.693 ( -7.607 2.760 -6.815) 10.579 30.943 ( -12.635 -1.620 -6.737) 14.411 31.826 ( 4.767 -10.109 -2.554) 11.465 31.908 ( 4.987 -9.777 1.127) 11.033 32.490 ( 11.607 14.511 1.536) 18.645 32.541 ( 10.866 18.451 3.274) 21.662 33.421 ( 6.722 -5.393 5.689) 10.327 34.203 ( 9.475 -12.367 -8.853) 17.919 ======================= Grid point 92 (40/156) ======================= q-point: ( 0.36 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -17.545 9.903 32.571) 38.298 2.453 ( -4.009 12.796 -17.915) 22.378 3.375 ( 12.204 -4.015 11.041) 16.940 4.027 ( 8.745 0.259 3.494) 9.421 4.076 ( 16.194 2.020 -13.532) 21.200 4.195 ( -10.245 5.051 4.017) 12.108 4.430 ( -5.678 -4.904 -5.441) 9.268 4.968 ( 2.575 -19.597 9.767) 22.047 5.076 ( -4.431 -9.349 -1.573) 10.465 5.252 ( -3.095 -2.323 -3.871) 5.474 5.370 ( 0.213 -2.532 1.841) 3.138 5.640 ( 5.851 -7.772 -1.665) 9.870 5.729 ( 6.005 -3.975 4.577) 8.533 5.944 ( 3.284 -1.492 2.328) 4.293 6.114 ( 6.276 11.319 -1.636) 13.045 6.375 ( 4.027 11.598 2.262) 12.484 6.580 ( 11.839 4.776 -1.450) 12.849 6.699 ( -1.066 6.251 -7.836) 10.081 6.766 ( 21.552 -2.538 3.117) 21.924 7.002 ( 34.923 5.538 -3.171) 35.501 7.271 ( 13.929 1.567 -2.080) 14.170 7.529 ( 12.583 3.206 3.383) 13.418 7.630 ( -1.046 1.539 -5.347) 5.662 8.007 ( 2.506 -2.657 -0.251) 3.661 8.116 ( -6.880 5.031 6.367) 10.639 8.275 ( -2.708 -0.587 -1.109) 2.984 8.456 ( -0.384 6.936 -1.091) 7.032 9.173 ( 0.268 -7.252 -1.276) 7.368 9.278 ( -3.053 0.893 -1.973) 3.743 9.383 ( -9.984 -1.985 -1.129) 10.241 9.538 ( -8.583 0.533 3.797) 9.401 9.754 ( -5.427 6.821 -2.979) 9.211 10.393 ( 1.134 -6.628 -3.392) 7.531 10.767 ( 3.164 0.336 -7.081) 7.763 10.853 ( 6.222 -6.100 -3.606) 9.430 11.127 ( -2.718 3.064 12.116) 12.790 11.227 ( 2.399 5.031 -1.211) 5.704 11.890 ( -12.720 -0.725 -0.864) 12.770 11.957 ( 3.023 0.796 -2.902) 4.265 12.158 ( 4.085 -10.238 -0.099) 11.023 12.603 ( 1.727 -12.142 -0.561) 12.277 12.745 ( -12.814 -9.101 -0.572) 15.727 13.307 ( -7.357 1.296 1.118) 7.553 13.728 ( -0.860 -9.043 1.034) 9.142 13.927 ( 4.436 0.191 7.211) 8.468 14.303 ( -4.820 -5.321 0.626) 7.207 14.384 ( 1.710 16.029 2.606) 16.330 14.798 ( 3.204 3.384 0.502) 4.687 14.927 ( 1.753 4.985 -2.300) 5.763 15.088 ( 0.711 7.398 0.057) 7.432 16.564 ( 0.398 1.043 -0.682) 1.308 16.692 ( 1.250 -0.552 -0.820) 1.594 16.837 ( 1.678 2.879 -1.196) 3.541 16.942 ( 7.444 -0.337 -5.977) 9.552 17.337 ( -5.492 2.077 -2.323) 6.315 17.674 ( -1.024 -3.072 0.687) 3.310 18.028 ( -1.333 -1.077 1.519) 2.290 18.223 ( -6.371 2.529 0.662) 6.886 18.591 ( 1.828 -2.254 -1.757) 3.392 18.661 ( -5.286 -2.296 7.584) 9.526 18.854 ( -2.544 4.917 0.044) 5.537 19.429 ( -0.666 -4.382 -1.549) 4.695 28.325 ( 1.290 0.512 -0.081) 1.390 28.365 ( 1.311 1.815 1.831) 2.892 28.437 ( -2.776 0.050 -2.346) 3.634 28.644 ( -2.462 -2.211 -0.380) 3.330 29.641 ( -3.033 2.456 3.541) 5.270 30.134 ( -1.702 -4.606 2.431) 5.479 30.290 ( 2.664 2.501 1.292) 3.876 30.458 ( -4.358 -0.864 3.487) 5.648 30.517 ( -4.920 1.788 -4.253) 6.745 30.699 ( -6.767 -1.316 -4.939) 8.481 31.809 ( -0.397 -8.497 -4.063) 9.427 31.966 ( -1.440 -9.869 3.793) 10.671 32.691 ( 10.565 15.970 -1.711) 19.224 32.782 ( 10.420 13.188 3.071) 17.086 33.606 ( 5.294 -4.103 6.158) 9.098 34.262 ( 7.031 -9.609 -7.069) 13.847 ======================= Grid point 93 (41/156) ======================= q-point: ( 0.45 0.17 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -19.082 9.661 26.147) 33.780 2.413 ( 7.563 13.451 5.851) 16.503 3.555 ( -1.406 -5.789 7.128) 9.290 4.000 ( -4.083 0.638 -4.429) 6.057 4.172 ( 3.517 4.114 0.905) 5.488 4.289 ( 17.192 -2.808 -8.558) 19.408 4.511 ( -1.912 -2.770 9.715) 10.281 4.896 ( -5.485 -12.048 -4.982) 14.144 5.065 ( -8.037 -13.778 8.078) 17.880 5.110 ( 1.542 -9.779 5.573) 11.361 5.437 ( 2.652 1.023 0.399) 2.871 5.623 ( 0.508 -7.807 -2.889) 8.340 5.871 ( 0.160 -3.748 2.510) 4.514 6.020 ( -1.020 5.025 8.704) 10.102 6.143 ( 3.504 7.982 -0.954) 8.769 6.333 ( -7.834 7.942 -9.181) 14.448 6.548 ( 3.059 6.184 1.605) 7.083 6.703 ( 4.213 5.515 -2.993) 7.558 7.086 ( 6.904 1.379 -0.198) 7.043 7.474 ( 1.332 -5.785 4.963) 7.738 7.560 ( 3.493 3.172 -1.925) 5.096 7.656 ( 31.596 3.955 -6.509) 32.501 7.843 ( 12.237 8.744 -0.145) 15.041 8.016 ( 0.132 -1.850 -2.084) 2.790 8.077 ( -4.089 4.557 2.612) 6.656 8.245 ( -0.460 5.006 -2.743) 5.727 8.373 ( -5.282 7.666 1.885) 9.498 9.104 ( -7.283 -7.568 2.626) 10.827 9.234 ( 1.226 0.409 -8.251) 8.352 9.269 ( -4.624 -1.425 5.133) 7.054 9.460 ( -3.455 1.023 4.620) 5.859 9.657 ( 1.009 5.621 -5.713) 8.078 10.357 ( 0.232 -8.110 -6.005) 10.094 10.732 ( 4.475 3.972 -11.695) 13.137 10.959 ( 9.108 -8.303 -4.249) 13.037 11.210 ( -3.600 1.853 14.502) 15.056 11.257 ( 3.927 2.843 -2.818) 5.608 11.587 ( -18.860 0.382 3.188) 19.131 11.982 ( 1.907 -1.027 -2.709) 3.469 12.231 ( 6.852 -8.388 -4.134) 11.593 12.517 ( -10.217 -15.031 0.113) 18.175 12.644 ( 2.399 -11.957 -2.107) 12.376 13.223 ( -3.286 3.206 2.303) 5.136 13.724 ( -0.502 -6.721 0.431) 6.754 14.001 ( -1.999 -0.606 1.157) 2.388 14.236 ( -2.382 -3.277 -0.219) 4.057 14.432 ( -0.189 15.757 2.817) 16.007 14.854 ( 1.785 0.388 1.664) 2.471 14.940 ( 1.826 8.909 -1.911) 9.293 15.092 ( -0.641 8.104 -0.348) 8.137 16.586 ( 0.669 0.821 1.464) 1.807 16.703 ( 1.420 0.526 0.120) 1.519 16.849 ( 0.642 2.001 -1.090) 2.367 17.005 ( 5.317 -1.680 -3.444) 6.554 17.276 ( -0.244 1.827 1.435) 2.336 17.674 ( -0.083 -2.692 1.353) 3.015 18.027 ( 0.448 -0.532 -0.204) 0.725 18.120 ( -4.698 0.406 -0.753) 4.776 18.598 ( 0.037 -1.667 -0.400) 1.715 18.651 ( -3.758 -2.027 5.686) 7.110 18.815 ( -1.060 4.948 -1.264) 5.216 19.398 ( 0.199 -4.759 -2.789) 5.519 28.341 ( 0.016 -0.389 -1.353) 1.408 28.367 ( -0.791 -0.066 -1.781) 1.950 28.414 ( 1.443 1.783 1.599) 2.796 28.600 ( -1.368 -1.618 -0.779) 2.257 29.634 ( -2.398 2.211 4.080) 5.224 30.135 ( -1.227 -5.007 2.683) 5.812 30.315 ( 0.205 2.029 -1.655) 2.627 30.421 ( -3.760 0.022 2.758) 4.663 30.448 ( 0.829 1.326 -1.151) 1.942 30.610 ( 0.229 -1.453 -0.858) 1.703 31.781 ( 1.364 -7.318 -1.390) 7.573 31.951 ( -3.233 -8.819 1.984) 9.600 32.809 ( 4.436 15.098 -1.970) 15.859 32.931 ( 3.563 10.469 0.145) 11.060 33.704 ( -1.241 -3.147 4.646) 5.747 34.310 ( 5.557 -8.592 -4.680) 11.252 ======================= Grid point 94 (42/156) ======================= q-point: (-0.45 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -19.744 10.219 23.972) 32.695 2.780 ( 15.446 11.567 19.711) 27.584 3.517 ( -14.566 -0.554 3.207) 14.925 3.926 ( 0.560 1.338 -5.488) 5.676 4.054 ( -4.796 -4.215 2.809) 6.975 4.510 ( 4.206 -3.732 6.709) 8.754 4.586 ( 3.519 -8.956 -12.889) 16.084 4.741 ( 3.613 3.884 5.052) 7.325 5.082 ( -6.665 -15.420 8.552) 18.850 5.351 ( 8.804 -9.685 11.154) 17.196 5.445 ( -1.286 -4.565 3.151) 5.694 5.618 ( -2.522 -10.316 -6.536) 12.470 5.828 ( -1.644 1.897 3.692) 4.465 5.988 ( -6.799 4.816 -4.093) 9.284 6.129 ( -1.533 6.958 5.441) 8.965 6.324 ( 10.018 9.434 2.156) 13.929 6.607 ( 3.102 0.748 -4.162) 5.245 6.759 ( 1.768 3.576 -0.686) 4.048 7.152 ( 1.962 2.836 -0.211) 3.455 7.286 ( -22.217 -2.206 -2.648) 22.483 7.546 ( -10.429 3.791 -3.153) 11.536 7.722 ( 0.556 7.821 -10.033) 12.733 7.868 ( -14.445 1.320 0.301) 14.508 7.949 ( -15.629 1.683 5.305) 16.591 8.051 ( 0.906 3.418 2.567) 4.370 8.272 ( 10.317 6.215 -1.037) 12.089 8.423 ( 3.227 6.033 3.255) 7.577 9.057 ( 0.393 -4.554 0.307) 4.581 9.177 ( 4.909 -1.712 -9.209) 10.575 9.286 ( 0.020 -3.418 3.755) 5.078 9.500 ( 1.095 2.976 4.369) 5.398 9.669 ( 4.863 3.920 -3.225) 7.030 10.287 ( 0.846 -7.280 -7.563) 10.532 10.679 ( 4.218 5.643 -13.016) 14.800 10.996 ( 0.495 -6.234 -3.864) 7.351 11.242 ( -6.241 1.797 7.572) 9.976 11.337 ( -11.480 0.860 4.339) 12.303 11.459 ( 18.882 -2.029 0.395) 18.995 11.983 ( 1.026 -0.178 -2.402) 2.618 12.244 ( -2.731 -3.648 -2.827) 5.362 12.453 ( 5.644 -17.373 -2.862) 18.490 12.653 ( 1.845 -12.367 -1.808) 12.634 13.249 ( 2.044 3.161 3.848) 5.383 13.710 ( -1.113 -5.444 -1.769) 5.832 13.911 ( -5.959 0.772 -0.519) 6.031 14.218 ( 1.186 -5.842 -1.835) 6.238 14.425 ( -3.572 15.647 2.811) 16.294 14.889 ( -1.654 1.120 3.059) 3.654 14.943 ( 1.929 9.391 -2.381) 9.878 15.074 ( 0.116 5.443 -0.746) 5.495 16.611 ( 0.021 1.006 2.499) 2.694 16.724 ( -1.072 0.056 0.871) 1.383 16.838 ( 0.016 3.211 -1.504) 3.546 17.053 ( 2.994 -0.962 -1.961) 3.706 17.357 ( 4.663 0.370 5.311) 7.077 17.710 ( 1.462 -1.879 3.614) 4.328 18.015 ( -1.663 -1.302 -1.195) 2.427 18.073 ( 2.550 -0.498 -3.105) 4.049 18.579 ( -3.176 -0.490 2.146) 3.864 18.649 ( -1.579 -2.667 2.732) 4.131 18.789 ( 0.404 4.936 -2.586) 5.587 19.383 ( 1.773 -4.616 -3.453) 6.031 28.292 ( -1.464 0.484 -2.427) 2.875 28.361 ( 0.230 -0.115 -1.231) 1.257 28.459 ( 1.500 0.491 1.918) 2.484 28.588 ( 1.287 -1.543 -1.449) 2.478 29.642 ( -1.955 1.933 4.621) 5.377 30.142 ( -1.273 -5.662 2.259) 6.227 30.267 ( -2.311 3.072 -3.100) 4.939 30.394 ( -1.362 0.671 1.392) 2.060 30.517 ( 6.112 1.353 2.184) 6.631 30.677 ( 6.389 -1.367 1.515) 6.707 31.835 ( 3.926 -8.341 1.496) 9.339 31.906 ( -2.256 -7.323 -0.560) 7.683 32.799 ( -3.219 15.134 -2.138) 15.619 32.902 ( -5.830 9.800 -1.558) 11.509 33.659 ( -7.762 -2.697 2.598) 8.618 34.360 ( 4.045 -9.242 -2.190) 10.323 ======================= Grid point 95 (43/156) ======================= q-point: (-0.36 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -21.475 13.334 18.873) 31.546 2.939 ( -29.106 12.978 -5.348) 32.314 3.376 ( 12.754 -0.627 20.297) 23.979 4.066 ( 2.102 -8.023 11.125) 13.876 4.149 ( 7.127 -6.229 -2.206) 9.720 4.280 ( -4.084 -0.034 -5.038) 6.485 4.666 ( -4.448 -1.382 2.627) 5.347 4.990 ( 8.843 0.296 4.366) 9.867 5.024 ( -4.459 -3.548 4.144) 7.046 5.293 ( -7.610 -2.987 -6.500) 10.444 5.438 ( -1.606 -3.730 3.103) 5.111 5.592 ( -4.556 -14.081 3.940) 15.316 5.863 ( -3.649 6.125 6.904) 9.924 6.033 ( 8.761 -3.678 6.277) 11.388 6.118 ( -11.821 3.579 7.289) 14.342 6.424 ( -13.687 3.318 -2.648) 14.331 6.559 ( -10.548 0.124 -4.570) 11.496 6.641 ( -5.152 3.245 -1.183) 6.203 6.788 ( -13.508 3.346 -5.459) 14.949 7.071 ( -19.579 5.009 2.070) 20.315 7.305 ( -2.509 -1.415 -3.674) 4.669 7.410 ( -22.115 -3.735 -1.170) 22.459 7.628 ( 3.076 11.360 -9.427) 15.079 7.945 ( 3.614 -3.737 3.050) 6.028 8.066 ( -2.802 2.876 3.804) 5.531 8.357 ( 0.686 6.302 -1.490) 6.512 8.523 ( 1.662 5.832 7.096) 9.334 9.012 ( -0.500 -3.122 -8.933) 9.476 9.232 ( 6.915 -5.472 -3.366) 9.439 9.341 ( 5.705 -4.455 -3.268) 7.942 9.556 ( 0.227 5.106 2.857) 5.855 9.733 ( 3.882 4.164 -0.504) 5.715 10.242 ( 2.998 -4.035 -7.368) 8.919 10.599 ( 1.681 6.327 -11.343) 13.097 10.969 ( 2.291 -3.288 -4.368) 5.928 11.147 ( -10.774 -2.077 9.029) 14.210 11.313 ( 1.934 3.027 1.727) 3.985 11.834 ( 18.005 -4.594 0.800) 18.599 11.921 ( -3.265 3.179 -3.641) 5.833 12.181 ( -2.607 -4.762 1.309) 5.585 12.498 ( 3.609 -9.618 -6.691) 12.259 12.729 ( 7.956 -11.569 -0.433) 14.047 13.355 ( 4.683 1.141 4.276) 6.443 13.629 ( -2.541 1.831 -4.489) 5.473 13.854 ( -3.190 -7.117 4.550) 9.029 14.218 ( 1.790 -7.561 -3.608) 8.567 14.403 ( -1.928 13.761 4.082) 14.483 14.860 ( -3.318 5.301 2.569) 6.760 14.985 ( 3.434 4.328 0.082) 5.525 15.085 ( 1.390 3.636 -0.369) 3.910 16.626 ( -1.545 -0.933 0.921) 2.026 16.682 ( -2.789 -0.397 -0.112) 2.819 16.817 ( -0.421 5.338 -1.929) 5.692 17.061 ( 0.389 1.093 -2.539) 2.792 17.517 ( 5.326 -1.204 6.222) 8.278 17.810 ( 2.352 -0.548 8.510) 8.846 17.978 ( -0.415 -3.274 -1.645) 3.687 18.105 ( 5.698 0.020 -5.902) 8.204 18.538 ( -4.125 0.225 2.796) 4.988 18.648 ( -1.332 -2.883 1.864) 3.682 18.776 ( 1.975 4.966 -3.666) 6.481 19.379 ( 1.850 -4.195 -3.905) 6.023 28.250 ( -0.547 1.147 -1.975) 2.348 28.348 ( -0.240 0.523 -0.456) 0.734 28.510 ( 2.075 -0.644 1.479) 2.628 28.603 ( 2.290 -1.651 -2.493) 3.766 29.663 ( -1.450 1.777 4.997) 5.498 30.127 ( -1.888 -3.366 0.278) 3.869 30.182 ( -3.383 3.913 -2.579) 5.780 30.421 ( 2.543 0.213 2.166) 3.348 30.698 ( 9.683 1.052 4.111) 10.572 30.847 ( 10.753 -1.382 0.478) 10.852 31.836 ( -1.891 -5.802 -2.457) 6.578 31.950 ( 3.210 -10.389 2.784) 11.224 32.649 ( -11.097 13.614 -2.228) 17.704 32.719 ( -11.019 13.457 -1.337) 17.444 33.506 ( -11.210 -3.089 1.786) 11.764 34.401 ( 1.841 -11.882 -0.432) 12.031 ======================= Grid point 96 (44/156) ======================= q-point: (-0.27 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -23.696 18.302 11.521) 32.081 2.286 ( -33.261 17.416 -5.733) 37.980 3.766 ( -0.795 -11.164 3.680) 11.782 3.812 ( -16.882 -5.816 -3.263) 18.152 4.214 ( -2.332 -0.119 10.860) 11.108 4.332 ( -8.276 6.290 3.991) 11.135 4.676 ( 6.447 4.504 7.405) 10.802 4.887 ( -12.079 -7.635 -5.270) 15.230 5.015 ( -9.009 1.375 -8.255) 12.296 5.176 ( -23.346 -9.470 3.818) 25.481 5.377 ( 1.238 -5.638 8.947) 10.647 5.517 ( -14.474 7.207 3.460) 16.535 5.762 ( -17.785 -2.897 6.332) 19.099 5.892 ( -14.067 -1.685 5.852) 15.328 5.904 ( -20.946 10.590 12.057) 26.386 6.167 ( -3.599 -2.476 -0.566) 4.405 6.389 ( 1.332 0.342 -8.603) 8.712 6.510 ( -9.195 5.794 -9.320) 14.317 6.628 ( -9.570 -0.747 3.223) 10.125 6.710 ( -5.295 -3.483 6.097) 8.794 7.217 ( -1.393 -9.963 -4.450) 11.000 7.486 ( 19.191 -3.843 -0.236) 19.574 7.674 ( 11.476 9.588 -7.798) 16.865 7.996 ( 3.266 -6.484 -5.060) 8.850 8.069 ( -1.892 5.751 5.455) 8.149 8.352 ( 1.879 5.133 -2.227) 5.902 8.595 ( -2.508 2.926 6.748) 7.771 8.874 ( -1.623 -1.360 -11.796) 11.984 9.321 ( 5.573 -5.609 -3.439) 8.622 9.396 ( 6.562 -4.301 -6.216) 10.010 9.568 ( -1.727 6.849 3.193) 7.751 9.764 ( 0.183 4.131 -2.338) 4.751 10.236 ( 4.198 -1.847 -5.508) 7.167 10.517 ( 1.173 6.508 -7.850) 10.264 10.982 ( 3.243 -4.631 -3.432) 6.614 11.085 ( -7.046 -1.243 8.073) 10.787 11.379 ( 2.610 0.151 0.313) 2.633 11.716 ( -11.365 4.884 -0.055) 12.370 12.084 ( -4.268 -2.994 -2.973) 6.001 12.184 ( 9.570 -0.569 2.821) 9.993 12.504 ( 4.613 -3.172 -4.276) 7.044 12.869 ( 9.034 -6.973 -3.346) 11.893 13.500 ( 6.194 -2.068 3.827) 7.568 13.597 ( 2.835 3.901 -0.097) 4.824 13.846 ( -4.391 -10.303 4.976) 12.255 14.227 ( 2.196 -8.174 0.119) 8.465 14.447 ( 1.519 6.793 3.580) 7.827 14.855 ( -0.958 2.294 3.730) 4.483 15.058 ( 3.834 5.032 1.233) 6.445 15.105 ( 1.660 2.118 -1.019) 2.878 16.561 ( -3.356 -2.789 -2.641) 5.100 16.647 ( -1.644 -1.070 -0.618) 2.057 16.787 ( -0.604 4.836 -1.711) 5.165 17.011 ( -1.173 3.951 -5.206) 6.639 17.666 ( 4.610 -2.137 5.176) 7.253 17.938 ( 0.388 -4.016 3.641) 5.435 17.980 ( 0.828 0.888 5.826) 5.951 18.152 ( 7.638 1.622 -5.371) 9.477 18.498 ( -4.319 0.876 4.117) 6.031 18.649 ( -0.529 -2.459 2.041) 3.239 18.783 ( 3.417 4.532 -4.018) 6.954 19.354 ( -0.014 -3.812 -4.097) 5.596 28.232 ( 0.503 2.007 -1.257) 2.421 28.351 ( 0.507 1.319 0.763) 1.606 28.557 ( 2.087 -2.126 -0.635) 3.046 28.614 ( 2.078 -0.715 -1.875) 2.888 29.696 ( -0.948 1.861 5.074) 5.487 30.095 ( 0.137 9.775 -3.363) 10.338 30.110 ( -3.260 -3.457 2.091) 5.191 30.522 ( 5.203 -0.496 3.030) 6.042 30.916 ( 9.489 0.085 2.875) 9.916 31.052 ( 13.059 -1.934 -2.512) 13.438 31.771 ( -1.851 -4.052 -3.504) 5.668 31.948 ( -8.289 -8.866 1.835) 12.275 32.373 ( -15.861 11.494 -1.278) 19.629 32.556 ( -6.218 16.007 1.253) 17.218 33.336 ( -9.212 -4.773 2.584) 10.692 34.400 ( -1.973 -17.742 -0.879) 17.873 ======================= Grid point 97 (45/156) ======================= q-point: (-0.18 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -23.539 25.470 6.400) 35.267 1.685 ( -30.111 26.113 1.061) 39.871 2.966 ( -54.473 15.976 -7.576) 57.271 3.861 ( -13.647 -16.599 10.918) 24.103 4.115 ( -11.667 -2.473 2.428) 12.171 4.198 ( -24.052 -4.115 5.611) 25.039 4.465 ( -28.317 -2.816 2.554) 28.571 4.520 ( -17.442 2.193 -14.703) 22.918 4.820 ( -8.717 -0.461 -1.457) 8.850 4.920 ( -10.840 -5.945 2.459) 12.605 5.007 ( -9.804 4.760 1.931) 11.068 5.346 ( -15.980 -4.405 0.985) 16.606 5.648 ( -13.855 -1.029 11.790) 18.221 5.711 ( -8.044 19.905 5.252) 22.102 6.086 ( 7.138 -9.944 -5.812) 13.551 6.200 ( 5.250 3.858 13.598) 15.079 6.216 ( 3.847 -3.031 0.885) 4.977 6.471 ( 6.260 0.037 -8.605) 10.641 6.535 ( 4.522 1.732 0.111) 4.844 6.878 ( 7.139 -11.018 4.260) 13.803 7.210 ( 4.257 -9.201 -1.061) 10.193 7.721 ( 9.666 7.255 -7.751) 14.357 7.869 ( 13.266 -3.862 -1.745) 13.926 7.991 ( 1.016 -2.651 -5.591) 6.270 8.074 ( -1.043 4.237 -0.336) 4.377 8.404 ( 9.508 2.969 -3.227) 10.470 8.568 ( -5.899 0.491 2.089) 6.277 8.752 ( 1.381 1.201 -8.104) 8.308 9.309 ( -1.734 -2.021 -2.866) 3.912 9.454 ( 4.989 -5.457 -3.720) 8.277 9.569 ( -2.602 3.164 -1.534) 4.374 9.741 ( 3.873 7.165 1.452) 8.273 10.256 ( 3.584 -0.357 -4.595) 5.838 10.494 ( 2.106 2.816 -1.699) 3.905 10.953 ( -7.759 -6.138 2.537) 10.214 11.074 ( -1.075 -1.578 4.362) 4.761 11.284 ( -12.108 -2.100 -3.985) 12.919 11.626 ( -1.391 5.132 3.699) 6.477 11.923 ( -3.679 2.920 -6.147) 7.737 12.345 ( 3.814 2.736 4.859) 6.756 12.538 ( 2.205 4.857 -3.099) 6.169 12.947 ( 6.532 -5.166 -10.627) 13.501 13.645 ( 6.781 -2.709 1.294) 7.416 13.713 ( 5.066 0.428 5.382) 7.404 13.802 ( -5.315 -7.649 4.347) 10.279 14.294 ( 1.607 -14.679 3.529) 15.182 14.499 ( 0.172 3.511 2.236) 4.166 14.884 ( -0.856 -3.472 2.772) 4.525 15.128 ( 0.058 4.828 2.841) 5.602 15.134 ( 5.207 -0.726 -3.674) 6.414 16.481 ( -2.018 -2.502 -2.154) 3.869 16.604 ( -1.239 -0.856 -2.141) 2.618 16.743 ( -3.186 2.200 -1.568) 4.177 16.936 ( 2.729 6.989 -9.044) 11.751 17.787 ( 3.916 -2.824 1.971) 5.215 17.937 ( 0.077 -3.415 -0.070) 3.417 18.036 ( 1.975 3.672 -1.608) 4.468 18.331 ( 9.802 3.717 6.768) 12.478 18.491 ( -4.317 1.143 12.165) 12.959 18.683 ( 0.757 -1.721 4.793) 5.149 18.810 ( 4.067 3.754 -3.421) 6.506 19.292 ( -2.122 -3.820 -3.464) 5.576 28.245 ( 2.083 3.223 -0.421) 3.860 28.382 ( 1.203 2.596 1.804) 3.382 28.557 ( 1.203 -2.454 -3.704) 4.604 28.649 ( 2.022 -0.330 0.699) 2.165 29.734 ( -0.889 2.122 4.869) 5.385 30.058 ( -0.098 4.855 -2.151) 5.312 30.166 ( 6.029 10.278 5.664) 13.193 30.658 ( 6.313 -0.026 2.842) 6.924 31.069 ( 7.237 -1.277 -2.318) 7.706 31.238 ( 10.574 -2.911 -3.915) 11.645 31.655 ( -9.247 -1.612 -6.957) 11.684 31.741 ( -12.171 -3.047 4.839) 13.447 32.123 ( -10.276 14.024 0.897) 17.409 32.493 ( -5.611 9.036 3.601) 11.230 33.265 ( -2.437 -6.891 3.563) 8.131 34.257 ( -12.180 -29.688 -7.112) 32.868 ======================= Grid point 98 (46/156) ======================= q-point: (-0.09 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -18.188 33.308 1.823) 37.994 1.265 ( -26.356 31.500 14.483) 43.551 1.940 ( -52.798 38.082 16.413) 67.136 3.397 ( -36.567 -4.677 2.022) 36.920 3.697 ( -26.629 -4.833 -3.421) 27.279 3.965 ( -14.786 -0.831 -2.632) 15.041 3.994 ( -8.299 -22.582 5.237) 24.622 4.298 ( -6.097 1.235 -5.608) 8.375 4.676 ( -6.204 6.323 -0.696) 8.885 4.766 ( -3.683 -3.639 1.151) 5.304 4.991 ( 0.488 -1.010 -3.631) 3.800 5.159 ( -4.608 2.544 3.866) 6.531 5.526 ( -6.707 -1.713 -1.083) 7.006 5.623 ( -5.684 22.795 1.838) 23.564 6.077 ( 2.894 -9.163 -6.808) 11.776 6.277 ( 2.775 -4.897 5.051) 7.563 6.393 ( 3.042 -4.249 -7.608) 9.230 6.547 ( 3.124 -3.977 2.554) 5.665 6.799 ( 16.943 -9.000 -1.647) 19.256 7.047 ( 8.207 -6.191 7.492) 12.721 7.262 ( 0.599 0.711 -4.899) 4.986 7.726 ( 1.918 7.993 -7.150) 10.894 7.849 ( -3.946 -4.559 -2.837) 6.663 7.985 ( 2.514 0.775 -11.307) 11.609 8.114 ( 5.704 1.914 3.600) 7.012 8.433 ( -9.331 1.700 0.906) 9.528 8.620 ( 13.564 2.723 0.748) 13.855 8.788 ( 8.173 4.935 -1.051) 9.605 9.225 ( -2.108 2.345 -5.910) 6.698 9.469 ( -1.650 0.774 1.749) 2.526 9.609 ( 7.581 -6.159 18.050) 20.523 9.953 ( 14.106 -1.678 2.260) 14.384 10.301 ( 4.940 1.265 1.424) 5.295 10.511 ( -3.641 -4.390 3.240) 6.559 10.787 ( -10.936 -2.528 1.194) 11.287 10.947 ( -19.190 6.173 3.576) 20.473 11.144 ( 2.493 -6.759 -0.229) 7.207 11.524 ( -13.676 -7.164 0.488) 15.447 11.945 ( 13.846 9.535 -9.199) 19.164 12.444 ( -2.565 4.158 -6.283) 7.959 12.498 ( 2.827 11.681 -0.052) 12.019 12.840 ( -1.848 0.761 -12.159) 12.322 13.681 ( -1.923 -6.096 -2.999) 7.060 13.815 ( -0.038 -5.100 5.985) 7.863 13.853 ( 3.339 1.068 4.710) 5.872 14.264 ( -8.452 -15.238 -1.736) 17.511 14.508 ( -1.405 2.001 2.640) 3.598 14.838 ( -7.708 -3.373 1.759) 8.596 15.088 ( -3.032 0.835 -2.326) 3.911 15.203 ( 6.301 -2.134 -4.303) 7.923 16.480 ( 1.917 0.734 2.774) 3.451 16.554 ( -2.158 0.089 -1.997) 2.942 16.661 ( -2.207 3.325 -2.206) 4.561 16.925 ( 6.449 4.426 -10.112) 12.784 17.821 ( 1.637 -3.797 -3.458) 5.391 17.954 ( 1.680 -0.210 -2.579) 3.085 18.081 ( 4.462 7.858 1.233) 9.120 18.434 ( 0.248 2.544 0.882) 2.703 18.660 ( 2.393 -2.584 5.991) 6.949 18.837 ( 4.195 2.558 -2.046) 5.323 18.906 ( 6.160 -6.077 23.491) 25.034 19.222 ( -2.061 -4.098 -1.481) 4.820 28.296 ( 3.798 3.404 -0.808) 5.164 28.415 ( 0.668 4.713 -0.344) 4.773 28.557 ( 2.125 -2.703 0.295) 3.451 28.684 ( 0.882 -0.634 0.453) 1.177 29.763 ( -1.577 2.478 4.567) 5.430 30.050 ( 0.770 3.714 -0.801) 3.876 30.486 ( 21.947 17.896 -5.215) 28.794 30.883 ( 18.370 2.280 14.378) 23.439 31.136 ( 5.348 -2.120 -5.396) 7.888 31.298 ( -1.075 -2.093 -2.470) 3.411 31.378 ( -8.741 2.473 -3.218) 9.638 31.654 ( -3.172 -4.448 1.141) 5.581 32.048 ( -2.665 14.885 4.787) 15.861 32.408 ( -7.296 4.410 2.484) 8.880 33.288 ( -0.978 -8.922 2.335) 9.274 33.645 ( -44.933 -37.607 -15.043) 60.494 ======================= Grid point 99 (47/156) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 2.210 32.321 2.908) 32.526 1.815 ( -5.023 30.315 16.022) 34.655 2.513 ( -2.380 5.969 15.749) 17.010 2.952 ( -3.833 7.345 2.011) 8.526 3.402 ( -1.223 -11.730 5.827) 13.155 3.427 ( 2.384 -10.755 5.549) 12.335 3.860 ( -1.793 13.848 3.784) 14.467 4.248 ( 3.438 10.784 -16.051) 19.640 4.681 ( 0.815 -3.185 -2.194) 3.953 4.843 ( 1.033 3.284 -1.361) 3.702 4.882 ( 1.215 -1.805 -6.266) 6.633 5.173 ( -2.907 -5.769 0.468) 6.477 5.390 ( -2.998 2.017 -2.807) 4.575 5.768 ( 0.210 -0.703 -12.961) 12.982 5.888 ( -1.539 -21.359 -4.322) 21.846 5.998 ( -0.674 -0.657 1.113) 1.458 6.230 ( 4.013 -3.954 -5.244) 7.697 6.526 ( -7.590 -1.214 -3.559) 8.471 6.707 ( -0.051 -2.873 5.805) 6.477 6.976 ( -5.351 -4.539 -0.276) 7.022 7.465 ( -3.046 8.703 -1.104) 9.286 7.786 ( 4.012 -0.478 -2.293) 4.646 7.801 ( 7.130 -0.216 0.331) 7.141 7.922 ( 3.879 -3.020 -5.012) 7.020 8.358 ( 2.584 7.123 3.799) 8.476 8.437 ( -2.829 5.345 1.225) 6.171 8.853 ( -2.570 -0.887 -4.155) 4.966 8.891 ( 7.243 -0.558 2.417) 7.656 9.202 ( 0.680 3.038 1.646) 3.521 9.565 ( 4.549 -6.585 10.870) 13.499 9.789 ( 4.640 -10.942 16.631) 20.441 9.894 ( 1.227 -11.275 3.548) 11.884 10.334 ( -6.151 1.106 3.296) 7.065 10.412 ( 1.875 -1.187 4.489) 5.008 10.789 ( 5.434 5.274 -1.852) 7.796 10.894 ( -6.710 7.533 1.602) 10.214 11.064 ( 5.451 -7.152 0.008) 8.993 11.172 ( -9.391 -5.034 0.326) 10.660 12.224 ( -0.548 7.358 -25.201) 26.259 12.234 ( 12.518 5.696 -15.702) 20.874 12.721 ( -7.698 10.341 7.996) 15.170 13.036 ( 6.698 -4.527 7.676) 11.148 13.492 ( -2.283 -2.294 -1.198) 3.451 13.696 ( -2.821 -7.276 1.624) 7.971 13.973 ( -0.493 4.169 0.201) 4.203 14.094 ( -1.736 -1.245 5.410) 5.816 14.552 ( -0.770 3.084 1.795) 3.650 14.685 ( -3.996 -2.331 0.768) 4.690 15.054 ( 0.226 1.528 -2.559) 2.989 15.185 ( 1.825 -3.714 -2.711) 4.947 16.496 ( -2.593 1.963 -0.894) 3.373 16.566 ( 0.681 -0.964 1.824) 2.173 16.707 ( 1.394 3.961 -0.974) 4.310 16.889 ( 2.733 -4.135 -4.297) 6.560 17.797 ( 2.252 1.443 -5.437) 6.059 17.904 ( 0.441 -1.976 -5.439) 5.804 18.396 ( 3.685 8.679 1.254) 9.512 18.487 ( -2.905 4.441 2.830) 6.014 18.632 ( -1.234 -3.992 1.096) 4.319 18.768 ( -10.460 -1.409 1.512) 10.663 19.027 ( 3.553 -0.483 6.022) 7.008 19.115 ( 0.619 -4.346 2.153) 4.889 28.376 ( 0.283 2.779 0.363) 2.817 28.480 ( -1.222 1.970 -1.392) 2.704 28.555 ( 1.695 -1.321 1.757) 2.776 28.658 ( -0.519 -2.093 -0.539) 2.223 29.850 ( -3.048 4.744 4.955) 7.507 30.043 ( -2.700 -3.460 5.388) 6.949 30.706 ( -0.379 8.886 -17.497) 19.627 30.988 ( -2.116 -6.656 -9.299) 11.630 31.218 ( 0.722 1.664 0.642) 1.924 31.272 ( -3.328 -0.663 -1.775) 3.829 31.469 ( -0.759 1.196 0.507) 1.505 31.549 ( 9.765 -2.998 1.049) 10.268 32.282 ( -0.082 12.189 -3.379) 12.649 32.373 ( -3.578 4.018 -2.100) 5.775 32.868 ( 6.715 -6.475 15.347) 17.960 33.134 ( -2.353 -12.104 5.241) 13.399 ======================= Grid point 100 (48/156) ======================= q-point: ( 0.09 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 21.644 23.040 10.957) 33.457 2.021 ( 9.971 22.689 19.104) 31.292 2.903 ( 26.663 -4.246 13.329) 30.110 3.090 ( 11.650 -0.731 0.403) 11.680 3.589 ( 15.473 -5.849 10.750) 19.728 3.775 ( 24.953 -7.039 6.074) 26.629 3.978 ( 10.769 20.522 -7.004) 24.212 4.238 ( 16.781 10.499 -10.190) 22.264 4.696 ( 2.903 -3.611 -2.560) 5.294 4.839 ( 3.039 0.459 -5.035) 5.899 4.893 ( 9.829 -1.980 -10.882) 14.797 5.082 ( -4.660 -0.062 -1.762) 4.982 5.308 ( -3.075 2.126 -2.635) 4.574 5.577 ( -1.561 -3.385 -13.131) 13.650 5.891 ( 4.392 -12.797 -6.255) 14.906 6.000 ( 1.595 -12.783 -1.714) 12.996 6.294 ( -3.492 5.087 6.072) 8.657 6.341 ( -0.200 1.005 -1.977) 2.226 6.691 ( -5.303 -7.131 -2.288) 9.177 6.837 ( -7.392 -3.740 2.544) 8.666 7.244 ( -13.037 10.085 -4.038) 16.969 7.753 ( -3.919 -9.518 -3.616) 10.910 7.925 ( 4.614 4.340 -5.813) 8.598 8.071 ( 10.487 0.539 3.514) 11.073 8.324 ( -5.315 6.305 1.240) 8.339 8.492 ( 0.645 3.279 4.442) 5.559 8.672 ( -9.224 2.514 -4.347) 10.503 8.971 ( -1.942 -5.262 3.461) 6.590 9.330 ( 6.539 1.398 8.190) 10.573 9.725 ( -1.885 -8.239 12.443) 15.042 9.832 ( -7.881 -7.562 4.616) 11.857 9.980 ( -5.753 -7.390 9.495) 13.336 10.305 ( -0.784 3.072 3.432) 4.672 10.544 ( 6.425 -4.200 3.051) 8.260 10.793 ( 1.187 6.350 -4.079) 7.640 10.954 ( 4.060 3.354 3.360) 6.247 11.115 ( 10.382 -5.349 -6.201) 13.223 11.227 ( 8.263 -6.743 2.947) 11.065 12.018 ( 4.296 11.771 -18.201) 22.097 12.275 ( 10.680 -0.314 -15.475) 18.805 12.627 ( -11.569 10.697 8.168) 17.748 13.146 ( -2.954 -15.797 4.652) 16.730 13.462 ( 0.229 0.273 -1.485) 1.527 13.643 ( -3.381 -5.860 0.580) 6.790 13.899 ( -6.576 7.848 -0.364) 10.245 14.141 ( -0.974 -2.012 6.672) 7.036 14.564 ( -1.250 2.995 1.641) 3.637 14.658 ( 2.462 -1.341 -1.593) 3.225 15.035 ( 0.951 1.545 -3.447) 3.895 15.174 ( 0.138 -3.705 -2.099) 4.261 16.463 ( 0.535 2.705 -0.173) 2.762 16.588 ( 0.652 -2.561 0.935) 2.803 16.747 ( 3.640 4.070 -0.883) 5.532 16.905 ( 3.535 -2.314 -3.647) 5.581 17.758 ( -0.090 0.662 -5.928) 5.966 17.832 ( -1.526 -1.225 -5.969) 6.282 18.356 ( -10.547 5.200 2.116) 11.948 18.483 ( -2.105 7.612 4.949) 9.320 18.584 ( -3.513 -1.923 -0.585) 4.047 18.634 ( -7.115 -3.034 6.021) 9.803 19.058 ( -2.349 3.352 3.434) 5.344 19.215 ( 5.358 -3.844 2.208) 6.954 28.373 ( -1.345 3.666 1.226) 4.093 28.438 ( -1.986 3.269 -0.929) 3.936 28.587 ( -0.335 -2.667 1.304) 2.988 28.633 ( -0.920 -2.176 -0.848) 2.510 29.832 ( -4.457 4.982 4.437) 8.023 30.046 ( -3.562 -4.217 5.746) 7.968 30.467 ( -5.551 10.941 -11.041) 16.505 30.758 ( -10.076 -4.799 -5.553) 12.466 31.177 ( -6.005 2.355 -2.241) 6.829 31.261 ( 2.055 -2.398 -0.739) 3.244 31.505 ( 4.795 3.028 0.103) 5.672 31.607 ( -1.001 -2.166 -0.503) 2.438 32.375 ( 8.303 12.820 0.514) 15.282 32.425 ( 13.360 9.745 -4.105) 17.039 33.120 ( -3.127 -9.883 4.677) 11.372 33.306 ( 20.641 -21.753 5.984) 30.579 ======================= Grid point 101 (49/156) ======================= q-point: ( 0.18 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -1.658 18.561 20.692) 27.846 2.557 ( 19.602 15.057 15.471) 29.160 3.189 ( 0.363 -4.374 -2.590) 5.096 3.577 ( 28.789 -7.722 7.615) 30.764 3.959 ( 13.813 10.777 -17.997) 25.117 4.077 ( 6.360 -5.518 6.942) 10.913 4.366 ( 38.418 3.947 4.671) 38.901 4.514 ( 8.482 -8.851 -12.919) 17.809 4.765 ( 11.395 0.019 3.658) 11.968 4.911 ( 9.104 1.090 -4.068) 10.031 5.007 ( 22.915 8.795 -6.122) 25.297 5.148 ( 15.800 1.158 -4.531) 16.477 5.256 ( 0.109 -0.522 -0.059) 0.536 5.486 ( 3.066 -3.925 -8.659) 9.989 5.781 ( -1.202 -1.414 -7.488) 7.715 6.140 ( 14.652 -8.554 -2.593) 17.163 6.258 ( -2.305 2.624 7.360) 8.147 6.416 ( -1.403 1.685 -6.591) 6.946 6.533 ( -0.210 -1.384 0.881) 1.654 6.860 ( 1.601 -10.130 11.825) 15.653 7.044 ( -5.612 8.932 -1.093) 10.605 7.566 ( -11.253 -12.176 -4.109) 17.081 7.894 ( 2.371 9.333 -10.835) 14.496 8.169 ( -5.249 0.166 0.204) 5.256 8.269 ( -2.009 5.431 3.317) 6.673 8.403 ( -11.652 -4.774 4.669) 13.430 8.591 ( 2.291 10.170 -3.002) 10.849 8.966 ( -0.318 -6.920 0.907) 6.986 9.518 ( 0.919 -2.330 10.758) 11.045 9.679 ( -9.218 6.126 -0.234) 11.070 9.749 ( -10.369 -10.424 9.777) 17.657 9.930 ( -3.487 -1.513 0.991) 3.928 10.351 ( 2.364 1.610 1.625) 3.289 10.642 ( 3.057 -8.075 -0.278) 8.638 10.772 ( 0.076 5.758 -3.501) 6.740 11.026 ( 2.478 -1.373 1.785) 3.348 11.296 ( 10.432 1.559 -6.313) 12.292 11.426 ( 11.814 -5.850 4.638) 13.976 11.981 ( 7.688 9.411 -10.597) 16.124 12.271 ( 5.459 -2.628 -12.908) 14.259 12.515 ( -10.386 4.843 8.239) 14.114 13.031 ( -14.475 -18.516 4.065) 23.852 13.449 ( -0.486 1.299 -0.477) 1.467 13.605 ( -2.944 -7.002 1.932) 7.837 13.801 ( -2.574 11.077 0.815) 11.402 14.186 ( -1.585 -5.465 5.458) 7.885 14.552 ( -0.697 4.739 1.088) 4.912 14.704 ( 3.305 -1.817 -0.745) 3.844 15.020 ( 2.029 3.590 -3.716) 5.551 15.157 ( 0.378 -1.436 -1.491) 2.104 16.516 ( 4.201 1.433 1.061) 4.564 16.613 ( 1.080 -1.873 0.533) 2.227 16.805 ( 4.490 3.825 -2.059) 6.248 16.928 ( 3.630 -0.163 -4.422) 5.723 17.668 ( -2.920 0.283 -5.574) 6.299 17.726 ( -2.708 -1.451 -6.318) 7.025 18.188 ( -11.145 7.447 5.971) 14.674 18.464 ( -6.043 2.614 4.273) 7.849 18.543 ( -0.736 -1.177 -0.725) 1.566 18.595 ( -4.759 -4.972 6.429) 9.418 19.053 ( -2.130 6.292 2.490) 7.094 19.311 ( 2.844 -4.814 1.274) 5.735 28.361 ( -1.775 3.507 1.908) 4.369 28.398 ( -1.411 3.194 -0.334) 3.508 28.559 ( -2.367 -1.246 -0.857) 2.809 28.625 ( -0.447 -3.627 0.601) 3.703 29.792 ( -4.840 5.224 3.827) 8.085 30.039 ( -3.754 -5.744 5.170) 8.591 30.329 ( -1.670 8.698 -3.087) 9.379 30.570 ( -6.671 -3.630 -1.770) 7.798 30.993 ( -9.548 4.181 -5.102) 11.605 31.167 ( -10.525 -4.188 -3.473) 11.848 31.596 ( 6.906 -1.789 -2.079) 7.431 31.649 ( 6.848 -4.340 -2.273) 8.420 32.552 ( 8.615 13.958 4.578) 17.030 32.702 ( 18.223 18.345 -1.355) 25.893 33.129 ( 0.186 -9.368 4.588) 10.433 33.659 ( 16.791 -23.507 -2.809) 29.024 ======================= Grid point 102 (50/156) ======================= q-point: ( 0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -8.983 15.562 23.226) 29.365 2.905 ( 1.170 -9.285 -1.146) 9.429 3.142 ( 7.514 25.328 -2.104) 26.502 3.865 ( 6.698 2.306 -0.735) 7.122 4.075 ( 11.993 6.107 -14.705) 19.934 4.226 ( 0.284 -13.903 13.492) 19.375 4.327 ( -4.487 -14.336 -1.121) 15.064 4.864 ( -3.504 2.230 -1.850) 4.546 4.880 ( 2.107 -9.895 -9.093) 13.603 5.159 ( 9.183 -2.617 0.132) 9.550 5.199 ( 13.451 1.934 -2.351) 13.791 5.358 ( 8.821 -5.892 -0.127) 10.609 5.475 ( 21.408 3.250 -1.577) 21.711 5.666 ( 17.706 -3.989 -0.896) 18.172 5.953 ( 22.799 8.406 1.349) 24.336 6.273 ( 9.801 -4.571 -3.450) 11.352 6.377 ( 18.081 9.216 -3.168) 20.540 6.558 ( 21.039 0.675 -3.995) 21.426 6.645 ( 4.899 6.493 11.856) 14.378 6.985 ( -0.470 5.914 -1.956) 6.247 7.059 ( 6.172 -4.672 3.610) 8.541 7.377 ( -2.284 -8.307 1.682) 8.778 7.815 ( 2.785 6.372 -10.739) 12.795 7.973 ( -11.395 -2.555 -1.449) 11.768 8.250 ( -6.561 3.454 7.728) 10.710 8.315 ( -2.071 -0.601 -1.702) 2.747 8.595 ( 1.340 8.546 -1.515) 8.782 8.979 ( 1.297 -9.134 -0.423) 9.235 9.464 ( -11.412 1.630 3.038) 11.921 9.581 ( -12.499 -4.157 2.511) 13.410 9.630 ( -1.569 5.328 0.747) 5.604 9.892 ( -3.090 -1.895 0.982) 3.755 10.404 ( 2.949 3.071 -2.301) 4.840 10.682 ( 4.391 -6.860 -6.712) 10.554 10.718 ( -1.851 1.205 1.111) 2.472 11.074 ( -0.835 -4.065 4.242) 5.934 11.363 ( 3.886 8.608 -2.318) 9.724 11.681 ( 11.818 -8.416 0.574) 14.520 12.006 ( 3.372 3.399 -6.055) 7.719 12.181 ( -3.941 -1.297 -7.469) 8.544 12.429 ( -7.418 -2.699 5.582) 9.668 12.772 ( -17.250 -14.722 3.584) 22.959 13.427 ( -3.150 2.023 1.177) 3.924 13.574 ( -1.669 -6.402 1.467) 6.776 13.845 ( 3.332 7.339 4.097) 9.042 14.192 ( -2.705 -8.338 2.904) 9.235 14.584 ( 2.232 8.558 2.541) 9.202 14.765 ( 3.394 -0.948 0.912) 3.640 15.035 ( 3.272 6.240 -2.262) 7.400 15.161 ( 1.507 1.233 -0.462) 2.001 16.594 ( 1.861 0.934 0.499) 2.141 16.638 ( 2.238 -0.257 -0.026) 2.253 16.858 ( 4.084 2.666 -2.612) 5.533 16.936 ( 3.506 0.940 -5.911) 6.936 17.534 ( -5.258 1.807 -5.365) 7.727 17.628 ( -1.477 -3.528 -4.027) 5.554 18.094 ( -6.767 5.926 5.636) 10.615 18.370 ( -8.547 -1.066 3.230) 9.199 18.533 ( 0.507 -1.754 -0.707) 1.958 18.595 ( -3.139 -3.517 5.994) 7.626 19.028 ( -2.643 7.596 0.981) 8.103 19.338 ( -0.258 -6.268 -0.234) 6.277 28.349 ( -1.262 2.330 1.059) 2.854 28.386 ( -0.502 2.212 0.935) 2.454 28.504 ( -2.198 0.217 -1.445) 2.640 28.614 ( -1.371 -3.800 0.427) 4.062 29.749 ( -4.264 5.357 3.582) 7.727 30.024 ( -3.354 -6.874 3.934) 8.601 30.317 ( 0.917 5.428 0.741) 5.554 30.474 ( -3.941 -2.394 1.067) 4.733 30.757 ( -9.233 3.453 -6.202) 11.646 30.895 ( -11.799 -2.964 -6.406) 13.749 31.676 ( 3.293 -4.460 -2.078) 5.921 31.735 ( 3.645 -6.758 0.115) 7.679 32.776 ( 11.175 13.798 3.456) 18.089 32.962 ( 10.675 21.963 0.347) 24.423 33.270 ( 9.790 -9.134 4.691) 14.188 33.867 ( 12.006 -19.954 -5.294) 23.882 ======================= Grid point 103 (51/156) ======================= q-point: ( 0.36 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -12.259 14.908 24.465) 31.162 2.732 ( -3.751 9.861 -9.933) 14.490 3.312 ( 3.060 1.809 6.046) 7.014 4.030 ( 0.674 -12.188 -6.287) 13.730 4.075 ( 13.690 -0.353 -1.146) 13.742 4.248 ( 3.892 6.037 5.943) 9.323 4.338 ( -9.834 -2.222 -1.205) 10.154 4.699 ( 1.325 -3.352 3.399) 4.954 4.845 ( -2.544 -12.310 -2.753) 12.868 5.116 ( -10.421 -10.493 -3.168) 15.125 5.370 ( 5.917 2.626 2.219) 6.844 5.525 ( 4.150 -4.033 -4.610) 7.398 5.668 ( 7.594 -1.452 3.487) 8.481 5.814 ( 2.972 -7.959 4.260) 9.504 6.343 ( 9.114 9.435 -2.291) 13.317 6.504 ( 13.201 1.761 -0.567) 13.330 6.695 ( 4.273 3.998 -0.805) 5.907 6.763 ( 4.031 1.729 2.487) 5.043 6.928 ( 13.762 13.512 -0.761) 19.302 7.129 ( 36.212 7.407 -6.918) 37.603 7.257 ( 11.075 -1.944 2.105) 11.439 7.535 ( 12.788 -4.641 1.940) 13.741 7.697 ( -2.326 5.670 -1.092) 6.225 7.963 ( 10.521 -2.476 -3.075) 11.237 8.226 ( -3.681 2.842 5.147) 6.937 8.257 ( 0.701 1.381 -5.165) 5.392 8.620 ( 0.688 8.612 1.704) 8.806 8.991 ( -0.946 -9.621 0.884) 9.708 9.317 ( -7.469 1.325 2.807) 8.088 9.368 ( -8.978 1.011 -3.685) 9.757 9.574 ( -5.977 3.742 1.351) 7.180 9.821 ( -4.589 -1.851 -1.486) 5.167 10.372 ( -1.832 5.429 -4.654) 7.382 10.653 ( 2.672 -5.299 -5.445) 8.054 10.778 ( 6.697 -3.860 -3.335) 8.419 11.091 ( -3.385 -9.490 6.360) 11.915 11.405 ( 1.766 12.428 0.516) 12.564 11.835 ( 1.395 -7.372 0.548) 7.522 11.919 ( -3.892 -2.497 -5.485) 7.174 12.005 ( -5.855 -2.576 -3.528) 7.305 12.379 ( -3.030 -7.640 1.971) 8.452 12.527 ( -13.806 -10.506 2.553) 17.536 13.363 ( -4.769 4.037 1.549) 6.437 13.583 ( 0.233 -6.114 1.625) 6.331 13.954 ( 3.122 2.748 3.475) 5.419 14.165 ( -2.190 -6.946 0.724) 7.320 14.672 ( 2.941 10.637 3.809) 11.675 14.830 ( 2.150 0.474 1.298) 2.556 15.083 ( 3.903 8.082 -1.503) 9.100 15.206 ( 2.061 3.342 2.067) 4.437 16.598 ( 0.269 2.214 -0.641) 2.321 16.680 ( 1.596 -0.968 -0.361) 1.901 16.888 ( 1.996 2.135 -2.007) 3.546 16.940 ( 4.055 -0.124 -5.278) 6.657 17.396 ( -3.648 3.679 -3.930) 6.503 17.586 ( 0.054 -5.237 -1.684) 5.501 18.053 ( -3.503 3.775 3.320) 6.128 18.242 ( -8.193 -1.389 1.365) 8.421 18.544 ( 1.096 -1.628 -0.075) 1.964 18.602 ( -3.015 -3.133 5.428) 6.955 18.985 ( -2.181 7.689 -0.631) 8.017 19.309 ( -1.320 -7.190 -1.828) 7.535 28.343 ( -0.128 1.188 0.091) 1.198 28.385 ( -0.982 -0.209 0.513) 1.128 28.460 ( -0.781 2.449 -1.007) 2.761 28.587 ( -1.777 -3.207 0.001) 3.667 29.720 ( -3.301 5.340 3.650) 7.262 30.008 ( -2.658 -7.420 3.407) 8.586 30.351 ( 1.168 3.190 1.090) 3.567 30.439 ( -2.491 -1.118 2.345) 3.599 30.560 ( -5.660 2.367 -4.640) 7.692 30.661 ( -6.778 -2.314 -4.816) 8.630 31.675 ( -0.252 -4.025 -1.762) 4.401 31.774 ( -0.540 -8.176 1.972) 8.428 32.993 ( 10.113 13.084 0.012) 16.537 33.116 ( 6.688 17.528 0.256) 18.763 33.500 ( 8.333 -4.966 4.730) 10.792 33.991 ( 8.356 -16.512 -4.836) 19.127 ======================= Grid point 104 (52/156) ======================= q-point: ( 0.45 0.33 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -14.161 16.084 18.834) 28.529 2.720 ( 4.208 12.900 8.022) 15.763 3.396 ( -1.665 -6.038 9.597) 11.460 3.949 ( -0.211 -14.654 -6.401) 15.993 4.208 ( 0.251 4.534 -0.809) 4.612 4.284 ( 8.033 2.714 2.807) 8.932 4.455 ( 0.003 1.754 5.254) 5.539 4.705 ( -1.414 -5.545 -2.761) 6.354 4.834 ( -2.305 -9.471 3.542) 10.371 4.883 ( -2.551 -12.847 1.911) 13.236 5.451 ( 1.062 -0.276 -2.882) 3.084 5.480 ( -0.043 -5.123 -2.792) 5.835 5.814 ( 1.751 -0.843 4.413) 4.822 5.943 ( 1.854 -6.169 11.421) 13.113 6.345 ( 0.198 9.850 -7.740) 12.529 6.586 ( -2.529 12.574 -5.353) 13.898 6.644 ( 0.942 0.452 -3.328) 3.488 6.779 ( 3.306 1.689 -1.955) 4.196 7.138 ( 2.987 3.851 3.527) 6.016 7.355 ( -5.274 -5.429 7.991) 11.007 7.609 ( 13.862 2.846 -6.511) 15.577 7.738 ( 20.718 1.087 -5.325) 21.419 7.984 ( 19.636 5.661 0.904) 20.456 8.068 ( 3.603 5.883 -0.972) 6.967 8.197 ( -5.916 6.154 3.138) 9.095 8.294 ( 7.261 -0.451 -4.406) 8.505 8.594 ( -6.774 12.768 2.241) 14.627 8.950 ( -4.886 -6.978 2.953) 9.016 9.208 ( -3.158 -2.121 -2.590) 4.602 9.258 ( -4.570 -0.249 0.147) 4.579 9.507 ( -2.369 3.823 4.351) 6.258 9.724 ( -1.130 -0.920 -4.691) 4.912 10.287 ( -1.181 3.102 -4.610) 5.681 10.661 ( 5.439 -7.431 -6.853) 11.479 10.864 ( 7.509 -2.760 -4.921) 9.393 11.098 ( -2.559 -12.968 5.749) 14.414 11.418 ( -1.939 12.767 1.076) 12.958 11.628 ( -12.894 3.695 -0.481) 13.422 11.911 ( -0.694 -7.165 -2.100) 7.499 11.996 ( 10.195 -11.226 -4.171) 15.728 12.306 ( -9.193 -6.130 0.316) 11.054 12.377 ( -2.705 -11.271 1.202) 11.653 13.318 ( -2.286 6.108 2.554) 7.004 13.600 ( -0.335 -6.347 1.416) 6.512 14.001 ( -0.482 1.049 0.165) 1.166 14.133 ( -1.355 -5.090 -0.836) 5.333 14.735 ( -0.568 11.177 2.841) 11.547 14.871 ( 0.698 1.004 1.987) 2.333 15.126 ( 2.524 8.539 -1.513) 9.032 15.236 ( -1.282 4.741 0.484) 4.935 16.614 ( 0.849 1.975 1.406) 2.568 16.700 ( 1.261 -1.082 0.698) 1.802 16.895 ( 1.025 2.264 -1.436) 2.870 16.969 ( 3.809 -1.754 -2.424) 4.843 17.343 ( 1.071 4.908 -1.241) 5.174 17.591 ( 1.565 -5.417 -0.004) 5.639 18.035 ( -0.846 1.459 0.277) 1.709 18.116 ( -6.232 -0.993 -0.502) 6.331 18.564 ( 0.393 -1.297 0.870) 1.611 18.601 ( -3.216 -2.632 4.639) 6.228 18.944 ( -0.694 7.510 -1.977) 7.797 19.269 ( 0.080 -7.550 -2.847) 8.069 28.340 ( -0.240 0.214 -1.145) 1.189 28.359 ( -0.634 -0.574 -1.169) 1.449 28.459 ( 0.520 2.418 0.505) 2.524 28.558 ( -1.007 -2.381 -0.371) 2.612 29.708 ( -2.538 5.180 3.775) 6.894 30.001 ( -2.120 -7.790 3.113) 8.652 30.365 ( -0.097 2.609 -0.599) 2.679 30.423 ( -2.481 -0.017 2.504) 3.525 30.480 ( 0.818 1.748 -1.649) 2.538 30.570 ( 0.078 -2.366 -0.781) 2.493 31.660 ( 0.393 -3.651 -0.110) 3.674 31.768 ( -1.840 -8.162 1.607) 8.520 33.111 ( 4.151 12.476 -2.415) 13.369 33.196 ( 2.248 14.472 -1.045) 14.683 33.630 ( 0.694 -2.761 3.743) 4.702 34.067 ( 5.087 -14.893 -3.317) 16.083 ======================= Grid point 105 (53/156) ======================= q-point: (-0.45 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -13.750 18.469 18.964) 29.830 2.975 ( 6.419 1.145 17.224) 18.417 3.492 ( -2.544 3.035 12.640) 13.246 3.932 ( 1.759 -2.578 -4.951) 5.852 4.029 ( -10.760 2.373 -6.659) 12.874 4.319 ( -4.945 -14.275 -2.564) 15.323 4.514 ( 7.611 3.200 4.687) 9.494 4.788 ( 3.582 1.186 8.320) 9.136 4.821 ( 2.262 -9.232 4.691) 10.600 5.079 ( 9.549 -13.958 6.305) 18.049 5.378 ( -3.730 -2.757 0.248) 4.645 5.444 ( -1.948 -6.766 -5.413) 8.881 5.890 ( 0.067 3.602 8.083) 8.850 6.014 ( -6.001 -1.662 5.334) 8.199 6.251 ( 0.583 7.074 -5.981) 9.282 6.496 ( 1.863 3.327 -6.230) 7.304 6.643 ( 3.380 3.317 -4.889) 6.807 6.798 ( -0.451 -0.194 -2.371) 2.421 7.185 ( -1.769 1.492 -0.719) 2.424 7.279 ( -11.715 0.486 4.420) 12.531 7.627 ( -7.770 3.651 -5.446) 10.167 7.767 ( -1.120 -1.782 -7.552) 7.840 7.981 ( -20.522 7.284 2.698) 21.942 8.076 ( -15.555 7.045 4.338) 17.618 8.155 ( -1.655 8.745 2.419) 9.223 8.375 ( 8.855 2.427 0.018) 9.182 8.575 ( 4.135 8.558 0.625) 9.525 8.924 ( -2.732 -7.632 3.032) 8.655 9.151 ( 2.469 -1.454 -7.926) 8.427 9.195 ( 0.530 -4.975 -0.503) 5.028 9.581 ( 3.255 4.373 4.398) 7.005 9.717 ( 4.775 -0.134 -2.893) 5.585 10.258 ( 3.849 6.223 -4.728) 8.711 10.676 ( 4.137 -4.309 -8.088) 10.055 10.907 ( 2.168 -3.284 -2.933) 4.908 11.141 ( -2.897 -15.113 6.708) 16.787 11.376 ( -1.634 8.122 0.636) 8.309 11.494 ( 4.645 3.315 -5.902) 8.209 11.952 ( 6.326 -3.252 -0.354) 7.121 12.113 ( -3.304 -8.286 1.877) 9.115 12.204 ( 8.514 -5.182 -4.845) 11.082 12.363 ( -0.364 -13.439 0.298) 13.447 13.339 ( 0.657 5.685 3.557) 6.739 13.601 ( -1.048 -5.803 1.249) 6.028 13.944 ( -4.285 2.444 -1.943) 5.302 14.100 ( -0.440 -5.263 -2.350) 5.781 14.713 ( -4.324 10.954 2.038) 11.951 14.891 ( -1.581 -0.159 2.620) 3.064 15.138 ( 0.409 7.445 -1.334) 7.575 15.183 ( -2.334 4.636 -1.516) 5.407 16.642 ( -0.525 2.003 2.469) 3.222 16.718 ( -1.624 -0.907 1.174) 2.200 16.904 ( 1.473 3.164 -0.686) 3.557 17.026 ( 3.586 -2.030 0.303) 4.132 17.404 ( 5.593 4.747 0.814) 7.381 17.648 ( 3.500 -4.373 2.692) 6.214 17.996 ( -3.443 -0.350 -1.440) 3.748 18.047 ( 1.710 -1.951 -3.438) 4.307 18.567 ( -2.361 -0.555 2.628) 3.576 18.593 ( -2.077 -2.427 3.058) 4.422 18.920 ( 1.074 7.740 -3.185) 8.439 19.255 ( 2.064 -7.621 -3.512) 8.641 28.307 ( -0.675 0.978 -2.075) 2.391 28.351 ( 0.707 -0.838 -1.474) 1.837 28.477 ( 0.614 1.283 0.999) 1.738 28.550 ( 0.757 -2.082 -0.786) 2.351 29.710 ( -1.859 4.891 3.962) 6.563 29.999 ( -1.614 -8.035 2.683) 8.624 30.339 ( -1.345 3.600 -1.319) 4.063 30.408 ( -1.289 0.416 1.539) 2.050 30.548 ( 6.480 1.680 1.537) 6.868 30.638 ( 6.438 -2.399 1.572) 7.049 31.694 ( 2.176 -4.672 1.726) 5.435 31.752 ( -1.013 -6.742 0.563) 6.841 33.079 ( -4.682 11.133 -3.079) 12.464 33.168 ( -2.834 14.007 -2.956) 14.593 33.605 ( -6.990 -0.857 2.561) 7.494 34.101 ( 1.576 -15.719 -1.666) 15.886 ======================= Grid point 106 (54/156) ======================= q-point: (-0.36 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -14.286 22.856 16.318) 31.508 3.189 ( -13.588 -6.295 11.155) 18.674 3.306 ( -10.458 8.414 -0.262) 13.425 3.911 ( -1.411 -10.081 -6.600) 12.131 4.034 ( 3.698 0.520 7.850) 8.693 4.278 ( 8.944 -1.492 2.934) 9.530 4.629 ( -2.144 -1.797 10.442) 10.810 4.919 ( 4.269 -6.764 2.079) 8.264 4.973 ( 0.584 1.548 3.109) 3.522 5.246 ( 3.049 -10.803 -0.149) 11.226 5.313 ( -4.653 -2.141 -1.671) 5.388 5.423 ( 5.155 -1.568 12.028) 13.180 5.900 ( -6.991 1.130 -1.656) 7.273 6.002 ( 0.535 0.148 10.115) 10.131 6.228 ( -5.644 5.082 3.488) 8.358 6.442 ( -1.511 -3.310 -8.131) 8.908 6.573 ( -23.850 3.462 -1.899) 24.175 6.680 ( -4.503 0.473 -1.890) 4.906 6.877 ( -11.918 4.618 -8.530) 15.366 7.089 ( -15.422 -4.261 -7.580) 17.705 7.336 ( -11.800 3.912 -2.435) 12.667 7.405 ( -29.634 3.793 3.419) 30.071 7.823 ( 0.181 3.466 -5.931) 6.872 7.898 ( -2.937 2.185 4.438) 5.753 8.167 ( -0.424 6.296 3.115) 7.037 8.404 ( -4.180 -1.909 1.598) 4.866 8.666 ( 1.783 7.239 4.251) 8.582 8.898 ( 0.320 -6.534 -3.735) 7.532 9.167 ( 6.724 -1.293 -5.975) 9.088 9.240 ( 6.114 -5.071 -4.399) 9.080 9.673 ( 2.726 5.635 1.925) 6.549 9.792 ( 4.574 0.991 -0.699) 4.732 10.285 ( 3.614 8.445 -5.257) 10.584 10.638 ( 0.817 -1.611 -6.128) 6.388 10.904 ( 1.542 -3.065 -3.424) 4.847 11.096 ( -6.110 -4.112 5.053) 8.932 11.386 ( 2.440 4.303 -1.142) 5.077 11.671 ( 13.391 -10.586 -0.981) 17.098 12.008 ( -1.066 5.171 -2.859) 6.004 12.114 ( 5.907 0.317 3.755) 7.007 12.310 ( 4.517 -8.645 -5.071) 10.994 12.447 ( 10.704 -14.031 1.106) 17.682 13.404 ( 1.977 3.554 3.751) 5.533 13.598 ( -0.458 -4.586 1.499) 4.847 13.837 ( -5.290 4.105 -0.701) 6.732 14.070 ( 0.713 -6.702 -3.181) 7.453 14.648 ( -4.892 9.760 2.330) 11.163 14.864 ( -4.100 -1.968 2.478) 5.179 15.130 ( 0.052 5.997 1.206) 6.118 15.156 ( -0.002 3.048 -1.087) 3.236 16.624 ( -3.569 0.709 0.244) 3.647 16.672 ( -3.329 -0.894 0.002) 3.447 16.917 ( 0.027 4.728 -0.485) 4.753 17.075 ( 0.940 -0.855 0.191) 1.285 17.539 ( 7.915 4.341 0.852) 9.067 17.775 ( 4.792 -3.241 6.129) 8.428 17.938 ( -1.117 -0.366 -0.398) 1.241 18.057 ( 5.373 -4.331 -6.743) 9.648 18.545 ( -3.280 0.442 3.159) 4.575 18.591 ( -1.684 -2.316 2.870) 4.054 18.912 ( 2.277 8.135 -4.132) 9.405 19.258 ( 2.505 -7.494 -4.269) 8.982 28.282 ( 0.356 1.937 -1.869) 2.716 28.351 ( 1.073 -0.579 -1.238) 1.737 28.503 ( 1.130 0.272 0.736) 1.375 28.563 ( 1.688 -2.050 -0.989) 2.833 29.727 ( -1.072 4.695 4.304) 6.459 30.001 ( -1.398 -7.523 2.773) 8.138 30.301 ( -0.450 6.028 -1.892) 6.334 30.425 ( 1.621 -0.195 1.713) 2.366 30.722 ( 9.717 1.389 2.810) 10.210 30.806 ( 10.314 -2.483 0.652) 10.629 31.729 ( -0.440 -3.893 0.292) 3.929 31.775 ( 1.906 -6.460 2.453) 7.168 32.890 ( -11.879 11.187 -3.099) 16.609 33.046 ( -6.130 13.676 -3.800) 15.462 33.451 ( -12.686 0.477 2.420) 12.923 34.079 ( -3.031 -19.002 -0.715) 19.255 ======================= Grid point 107 (55/156) ======================= q-point: (-0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -15.211 28.959 9.776) 34.140 2.718 ( -25.288 23.682 -5.177) 35.030 3.367 ( -4.384 -25.939 11.458) 28.694 3.601 ( -16.136 -15.923 -8.134) 24.085 4.284 ( 2.100 6.872 8.226) 10.922 4.463 ( 3.315 6.490 5.926) 9.393 4.699 ( -6.257 -8.104 5.647) 11.692 4.874 ( -4.965 -1.618 -1.004) 5.317 4.956 ( -7.973 3.334 1.280) 8.736 5.117 ( -18.315 7.321 -4.832) 20.307 5.273 ( 2.227 -5.172 6.292) 8.444 5.606 ( -27.120 -1.623 -0.312) 27.170 5.795 ( 13.056 5.271 12.049) 18.532 5.859 ( -28.012 0.386 2.743) 28.148 6.026 ( -21.903 0.882 9.066) 23.721 6.113 ( -4.441 -1.961 1.184) 4.997 6.358 ( -2.481 -2.046 -3.379) 4.664 6.541 ( -9.868 -6.370 -3.588) 12.282 6.641 ( -3.882 5.133 -8.684) 10.808 6.694 ( -19.175 -0.220 1.401) 19.227 7.040 ( -4.597 -3.902 -1.725) 6.271 7.351 ( 10.164 -9.570 -1.150) 14.008 7.830 ( 10.038 4.845 -6.681) 12.995 7.961 ( 6.053 1.688 -2.458) 6.748 8.199 ( -0.809 6.794 3.058) 7.495 8.373 ( -0.588 -1.335 0.659) 1.600 8.704 ( -1.712 6.262 2.791) 7.066 8.832 ( -0.698 -2.161 -7.281) 7.627 9.219 ( 4.398 -3.808 -4.738) 7.503 9.291 ( 5.757 -5.690 -5.917) 10.027 9.713 ( 0.220 6.368 0.529) 6.394 9.835 ( 1.270 1.904 -1.435) 2.702 10.275 ( 0.947 5.865 -2.653) 6.506 10.582 ( -1.102 -1.391 -3.547) 3.966 10.888 ( 0.952 -1.716 -4.664) 5.060 11.061 ( -2.520 -2.203 1.358) 3.612 11.408 ( -0.790 3.324 -0.215) 3.423 11.740 ( -8.363 -6.336 7.331) 12.800 12.047 ( 8.199 3.588 -9.740) 13.228 12.234 ( 6.280 4.565 4.950) 9.207 12.415 ( 11.481 -5.360 -2.637) 12.942 12.650 ( 9.655 -12.007 0.645) 15.421 13.485 ( 2.683 0.467 3.739) 4.625 13.628 ( 0.559 -5.576 3.124) 6.416 13.761 ( -2.856 6.338 1.332) 7.078 14.065 ( 2.096 -7.423 -2.293) 8.047 14.604 ( -3.181 7.380 3.216) 8.656 14.821 ( -3.585 -3.428 2.736) 5.664 15.139 ( 0.057 1.698 -2.222) 2.797 15.162 ( -0.548 2.676 4.115) 4.939 16.540 ( -4.216 0.571 -1.228) 4.428 16.615 ( -2.512 -2.042 -0.759) 3.325 16.885 ( -2.362 5.034 -1.500) 5.759 17.054 ( -1.950 -0.834 -2.238) 3.083 17.690 ( 9.062 4.790 -1.644) 10.381 17.870 ( 1.077 -2.486 0.429) 2.743 17.999 ( 2.703 0.592 7.392) 7.893 18.119 ( 10.604 -4.277 -5.089) 12.516 18.525 ( -3.014 1.676 3.882) 5.193 18.601 ( -0.821 -2.177 3.510) 4.211 18.910 ( 2.514 7.703 -4.394) 9.217 19.241 ( 0.844 -7.149 -4.919) 8.719 28.282 ( 1.508 2.775 -1.235) 3.391 28.369 ( 2.038 -0.177 -0.275) 2.064 28.526 ( 1.197 -0.267 -0.691) 1.408 28.589 ( 1.933 -1.733 -0.127) 2.599 29.762 ( -0.567 4.575 4.606) 6.517 30.005 ( -1.851 -6.225 3.366) 7.314 30.309 ( 4.350 9.682 -1.594) 10.734 30.508 ( 5.235 -1.145 2.381) 5.863 30.920 ( 9.236 0.480 0.882) 9.290 30.999 ( 11.783 -3.036 -2.136) 12.354 31.712 ( -1.554 -1.340 -0.448) 2.100 31.800 ( -3.565 -5.648 2.767) 7.230 32.630 ( -12.858 13.263 -1.962) 18.576 32.896 ( -6.089 14.108 -2.874) 15.632 33.229 ( -14.512 -2.619 3.228) 15.095 33.957 ( -10.170 -24.277 -1.569) 26.367 ======================= Grid point 108 (56/156) ======================= q-point: (-0.18 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -14.733 34.480 3.890) 37.697 2.265 ( -22.233 29.237 0.207) 36.731 3.167 ( -28.993 -3.225 0.876) 29.185 3.365 ( -9.502 -30.189 9.997) 33.191 4.147 ( -23.155 3.502 2.530) 23.554 4.170 ( -43.257 3.650 -1.691) 43.444 4.440 ( -24.204 3.936 2.282) 24.628 4.620 ( -14.444 7.823 -9.597) 19.024 4.720 ( -4.608 -5.072 0.378) 6.863 4.973 ( 0.216 6.664 -2.571) 7.146 5.127 ( -12.848 3.440 -1.661) 13.404 5.313 ( -9.849 1.013 4.347) 10.813 5.603 ( -13.717 -2.189 8.707) 16.394 5.827 ( 1.103 -9.593 -0.397) 9.664 6.033 ( -10.785 -12.931 -0.535) 16.846 6.088 ( -6.896 5.853 8.604) 12.484 6.244 ( 6.926 -2.629 8.678) 11.410 6.380 ( 2.100 -2.442 -3.579) 4.815 6.548 ( 1.811 -0.474 -3.957) 4.378 6.700 ( 7.921 -4.043 1.954) 9.105 7.128 ( 10.965 2.141 2.237) 11.394 7.571 ( 13.271 -13.644 -1.826) 19.121 7.932 ( 6.352 3.467 -9.630) 12.046 8.032 ( 6.783 2.319 -8.261) 10.937 8.188 ( -2.402 8.283 2.899) 9.098 8.396 ( 2.778 -1.179 2.280) 3.782 8.680 ( -1.153 6.922 -1.216) 7.121 8.771 ( 3.167 0.755 -5.175) 6.114 9.225 ( 1.370 -4.381 -2.670) 5.310 9.320 ( 3.470 -7.201 -3.250) 8.629 9.667 ( -3.569 5.507 -3.690) 7.528 9.839 ( 1.024 0.803 -0.234) 1.322 10.276 ( -0.169 3.960 1.581) 4.267 10.532 ( -1.839 -1.242 -1.011) 2.438 10.832 ( -2.210 -2.838 -3.340) 4.909 11.010 ( -1.634 -5.430 -2.756) 6.305 11.309 ( -11.847 5.105 3.025) 13.250 11.622 ( -13.182 -5.640 5.956) 15.525 12.072 ( 9.246 11.390 -9.819) 17.653 12.458 ( 9.248 6.070 7.345) 13.278 12.564 ( 9.465 -3.120 -8.060) 12.817 12.778 ( 3.565 -8.149 0.550) 8.912 13.573 ( 2.733 -3.613 1.428) 4.750 13.639 ( -4.363 -6.652 6.935) 10.554 13.802 ( 4.807 7.137 1.901) 8.812 14.090 ( 1.688 -7.122 -0.309) 7.325 14.592 ( -2.729 5.048 3.381) 6.660 14.790 ( -3.489 -4.751 2.710) 6.487 15.119 ( 0.810 -0.136 -2.454) 2.588 15.172 ( -2.414 -0.477 2.341) 3.397 16.480 ( -1.269 1.688 0.374) 2.145 16.575 ( -1.015 -2.018 -0.717) 2.370 16.811 ( -3.442 4.196 -2.077) 5.811 16.977 ( -1.864 -2.037 -4.618) 5.381 17.791 ( 6.117 2.405 -6.208) 9.041 17.900 ( 2.648 -1.380 -0.138) 2.989 18.118 ( 6.939 5.066 1.210) 8.676 18.339 ( 11.898 -2.668 3.975) 12.825 18.529 ( -2.660 2.612 7.393) 8.280 18.642 ( 0.644 -2.341 5.172) 5.713 18.909 ( 2.231 5.865 -3.364) 7.119 19.182 ( -1.544 -6.633 -4.392) 8.104 28.309 ( 2.424 3.139 -0.474) 3.994 28.418 ( 2.980 -0.354 0.894) 3.131 28.529 ( 0.628 0.755 -1.735) 1.994 28.627 ( 1.801 -1.876 0.544) 2.657 29.801 ( -0.684 4.400 4.785) 6.536 30.010 ( -1.854 -4.737 3.987) 6.463 30.460 ( 14.577 12.166 -0.327) 18.989 30.655 ( 8.025 -0.506 2.571) 8.442 31.052 ( 7.075 0.118 -3.270) 7.795 31.164 ( 9.712 -4.067 -3.806) 11.197 31.639 ( -6.255 0.221 -2.808) 6.860 31.695 ( -9.410 -1.909 2.321) 9.878 32.437 ( -7.118 16.400 0.520) 17.886 32.746 ( -10.901 15.349 0.793) 18.843 33.068 ( -5.497 -11.924 2.917) 13.450 33.643 ( -22.328 -28.385 -4.601) 36.406 ======================= Grid point 109 (57/156) ======================= q-point: (-0.09 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -13.944 36.059 -3.261) 38.799 1.895 ( -24.676 30.712 12.540) 41.344 2.644 ( -29.207 16.830 11.727) 35.691 3.217 ( -21.241 -18.978 6.227) 29.157 3.521 ( -21.390 -8.998 2.220) 23.312 3.616 ( -26.456 -4.201 -0.913) 26.803 4.012 ( -18.324 11.302 2.043) 21.626 4.397 ( -2.765 7.345 -11.917) 14.269 4.694 ( 0.302 -4.950 -0.861) 5.034 4.873 ( -5.111 10.862 -1.228) 12.067 4.979 ( -4.156 -0.861 -4.630) 6.281 5.201 ( -4.101 -4.085 2.642) 6.362 5.478 ( -6.032 -1.228 1.038) 6.243 5.825 ( 1.444 -7.601 -5.446) 9.462 5.940 ( 0.164 -19.421 -0.460) 19.427 6.064 ( -5.465 9.252 1.260) 10.819 6.252 ( 1.870 -8.196 -7.364) 11.176 6.576 ( 5.315 -1.555 8.335) 10.007 6.595 ( 2.819 -0.234 -0.041) 2.829 6.911 ( 8.392 -7.931 6.382) 13.194 7.355 ( 10.758 7.521 0.302) 13.130 7.732 ( 7.299 -7.673 -2.982) 11.002 7.823 ( -3.960 3.174 -6.808) 8.491 7.980 ( 0.310 -1.987 -10.122) 10.320 8.247 ( 4.210 9.979 2.844) 11.198 8.473 ( -2.163 0.860 4.967) 5.485 8.705 ( 8.828 5.773 -2.925) 10.947 8.849 ( 8.301 0.961 -3.544) 9.076 9.213 ( -0.418 -1.664 -1.411) 2.222 9.390 ( 3.535 -8.146 6.498) 11.004 9.589 ( -0.195 3.868 2.414) 4.563 9.860 ( 1.137 -7.265 0.403) 7.365 10.311 ( 0.519 2.002 4.696) 5.132 10.467 ( -6.498 -2.192 1.482) 7.016 10.761 ( -0.761 1.163 -2.109) 2.526 10.987 ( 1.841 -7.615 -2.758) 8.306 11.094 ( -14.911 7.493 5.281) 17.504 11.399 ( -15.854 -6.370 2.604) 17.283 12.160 ( 12.523 11.344 -12.211) 20.848 12.502 ( 1.743 -1.098 -23.089) 23.181 12.682 ( 4.857 7.341 7.064) 11.287 12.843 ( 1.331 0.563 8.819) 8.937 13.556 ( -3.406 -4.420 -0.071) 5.580 13.685 ( -0.503 -7.333 5.691) 9.296 13.915 ( 4.439 4.541 2.150) 6.704 14.098 ( -1.364 -4.670 0.986) 4.964 14.568 ( -3.033 3.702 2.240) 5.285 14.747 ( -4.797 -4.814 2.969) 7.416 15.092 ( -1.807 0.437 -1.537) 2.413 15.167 ( 2.570 -2.037 -2.199) 3.948 16.505 ( 1.433 1.524 2.576) 3.319 16.552 ( -1.149 -0.382 -0.459) 1.295 16.733 ( -2.325 3.909 -1.961) 4.953 16.909 ( 0.583 -3.885 -5.246) 6.554 17.804 ( 3.444 1.611 -5.741) 6.886 17.928 ( 2.505 -2.476 -3.961) 5.301 18.274 ( 8.067 10.179 0.970) 13.025 18.484 ( 1.720 1.958 0.405) 2.637 18.609 ( 0.851 -1.692 4.988) 5.335 18.783 ( 4.686 -6.212 11.518) 13.900 18.912 ( 0.819 4.074 -1.391) 4.382 19.116 ( -1.821 -5.808 -0.489) 6.107 28.350 ( 2.216 2.704 0.008) 3.496 28.486 ( 2.658 -3.045 1.320) 4.252 28.516 ( 0.196 3.934 -1.381) 4.174 28.656 ( 0.868 -2.118 0.212) 2.298 29.836 ( -1.476 4.473 4.998) 6.868 30.027 ( -1.704 -3.675 4.749) 6.242 30.736 ( 14.496 7.096 -10.202) 19.094 30.903 ( 17.006 -1.493 4.130) 17.564 31.135 ( 8.379 2.383 -1.988) 8.935 31.251 ( 3.974 -2.502 -2.045) 5.122 31.437 ( -8.448 3.282 -3.669) 9.777 31.578 ( -4.729 -3.486 -1.570) 6.081 32.374 ( -3.537 16.234 2.042) 16.740 32.542 ( -12.674 8.838 2.649) 15.676 33.002 ( -16.678 -16.568 -3.556) 23.776 33.146 ( -14.701 -16.025 4.153) 22.140 ======================= Grid point 110 (58/156) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -2.024 -18.317 -0.564) 18.438 2.051 ( -2.024 18.317 -0.564) 18.438 2.625 ( -3.805 -24.438 13.649) 28.248 2.625 ( -3.805 24.438 13.649) 28.248 3.363 ( -0.094 -2.727 6.211) 6.784 3.363 ( -0.094 2.727 6.211) 6.784 4.488 ( 3.036 -3.896 -10.488) 11.593 4.488 ( 3.036 3.896 -10.488) 11.593 4.510 ( 2.485 -26.715 2.217) 26.921 4.510 ( 2.485 26.715 2.217) 26.921 4.961 ( -2.695 -6.504 -1.483) 7.194 4.961 ( -2.695 6.504 -1.483) 7.194 5.538 ( -1.166 -12.648 -5.187) 13.720 5.538 ( -1.166 12.648 -5.187) 13.720 5.847 ( -0.141 -9.914 -7.332) 12.331 5.847 ( -0.141 9.914 -7.332) 12.331 6.361 ( -1.698 -10.605 -0.459) 10.750 6.361 ( -1.698 10.605 -0.459) 10.750 6.831 ( -4.567 -8.761 3.998) 10.658 6.831 ( -4.567 8.761 3.998) 10.658 7.657 ( -1.183 -9.195 -2.669) 9.647 7.657 ( -1.183 9.195 -2.669) 9.647 7.858 ( 7.326 -3.460 -1.456) 8.232 7.858 ( 7.326 3.460 -1.456) 8.232 8.472 ( -1.241 -2.533 3.575) 4.553 8.472 ( -1.241 2.533 3.575) 4.553 8.862 ( 3.383 -1.704 -6.088) 7.170 8.862 ( 3.383 1.704 -6.088) 7.170 9.340 ( 1.483 -10.898 7.190) 13.140 9.340 ( 1.483 10.898 7.190) 13.140 9.746 ( 2.287 -3.446 8.422) 9.383 9.746 ( 2.287 3.446 8.422) 9.383 10.374 ( -1.644 -2.400 4.031) 4.971 10.374 ( -1.644 2.400 4.031) 4.971 10.910 ( 7.710 -6.499 -1.442) 10.186 10.910 ( 7.710 6.499 -1.442) 10.186 11.051 ( -9.700 -6.583 1.325) 11.797 11.051 ( -9.700 6.583 1.325) 11.797 12.305 ( 7.125 -0.257 -21.424) 22.579 12.305 ( 7.125 0.257 -21.424) 22.579 12.902 ( -3.481 -7.918 8.177) 11.903 12.902 ( -3.481 7.918 8.177) 11.903 13.541 ( -2.757 -6.538 2.804) 7.630 13.541 ( -2.757 6.538 2.804) 7.630 14.048 ( 0.040 -3.131 2.125) 3.785 14.048 ( 0.040 3.131 2.125) 3.785 14.623 ( -1.555 -3.560 1.456) 4.148 14.623 ( -1.555 3.560 1.456) 4.148 15.108 ( 0.425 -3.555 -2.454) 4.341 15.108 ( 0.425 3.555 -2.454) 4.341 16.536 ( -1.117 -1.870 0.392) 2.213 16.536 ( -1.117 1.870 0.392) 2.213 16.795 ( 2.032 -4.704 -1.929) 5.476 16.795 ( 2.032 4.704 -1.929) 5.476 17.848 ( 1.441 -3.121 -5.383) 6.387 17.848 ( 1.441 3.121 -5.383) 6.387 18.512 ( 0.566 -3.712 -0.281) 3.765 18.512 ( 0.566 3.712 -0.281) 3.765 18.669 ( -4.581 -7.187 3.060) 9.056 18.669 ( -4.581 7.187 3.060) 9.056 19.046 ( 1.919 -2.334 4.445) 5.375 19.046 ( 1.919 2.334 4.445) 5.375 28.440 ( 0.264 -3.415 0.928) 3.549 28.440 ( 0.264 3.415 0.928) 3.549 28.601 ( -0.124 -3.369 -0.552) 3.416 28.601 ( -0.124 3.369 -0.552) 3.416 29.952 ( -3.175 -5.103 5.684) 8.272 29.952 ( -3.175 5.103 5.684) 8.272 30.856 ( -1.098 -6.602 -12.138) 13.861 30.856 ( -1.098 6.602 -12.138) 13.861 31.251 ( -1.782 -1.445 -0.576) 2.366 31.251 ( -1.782 1.445 -0.576) 2.366 31.499 ( 6.913 -1.945 0.921) 7.240 31.499 ( 6.913 1.945 0.921) 7.240 32.422 ( -1.124 -1.171 -3.377) 3.746 32.422 ( -1.124 1.171 -3.377) 3.746 32.898 ( -0.361 -9.093 8.837) 12.684 32.898 ( -0.361 9.093 8.837) 12.684 ======================= Grid point 112 (59/156) ======================= q-point: ( 0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 19.736 -6.409 1.693) 20.819 2.279 ( 19.736 6.409 1.693) 20.819 2.840 ( 9.939 -9.736 17.486) 22.346 2.840 ( 9.939 9.736 17.486) 22.346 3.642 ( 22.074 -5.746 5.988) 23.583 3.642 ( 22.074 5.746 5.988) 23.583 4.416 ( 5.805 -12.961 -17.930) 22.872 4.416 ( 5.805 12.961 -17.930) 22.872 4.694 ( 14.135 -21.617 1.096) 25.852 4.694 ( 14.135 21.617 1.096) 25.852 4.945 ( 2.350 -6.914 -0.209) 7.305 4.945 ( 2.350 6.914 -0.209) 7.305 5.422 ( -2.634 -8.361 -7.736) 11.692 5.422 ( -2.634 8.361 -7.736) 11.692 5.775 ( 0.988 -6.163 -4.742) 7.839 5.775 ( 0.988 6.163 -4.742) 7.839 6.376 ( 1.805 -3.005 3.418) 4.896 6.376 ( 1.805 3.005 3.418) 4.896 6.699 ( -10.075 -7.096 -0.964) 12.360 6.699 ( -10.075 7.096 -0.964) 12.360 7.498 ( -10.324 -13.759 -2.498) 17.382 7.498 ( -10.324 13.759 -2.498) 17.382 8.039 ( 10.138 -4.314 -1.734) 11.153 8.039 ( 10.138 4.314 -1.734) 11.153 8.441 ( -6.841 -5.157 3.327) 9.191 8.441 ( -6.841 5.157 3.327) 9.191 8.826 ( -0.752 -9.044 -2.575) 9.433 8.826 ( -0.752 9.044 -2.575) 9.433 9.450 ( 0.985 -11.398 9.379) 14.794 9.450 ( 0.985 11.398 9.379) 14.794 9.857 ( -1.597 -4.922 6.757) 8.511 9.857 ( -1.597 4.922 6.757) 8.511 10.423 ( 1.217 -6.981 4.041) 8.158 10.423 ( 1.217 6.981 4.041) 8.158 10.928 ( 0.212 -6.036 -4.937) 7.801 10.928 ( 0.212 6.036 -4.937) 7.801 11.106 ( 11.226 -4.629 2.453) 12.388 11.106 ( 11.226 4.629 2.453) 12.388 12.214 ( 7.397 -6.557 -18.715) 21.165 12.214 ( 7.397 6.557 -18.715) 21.165 12.858 ( -10.722 -12.420 7.552) 18.062 12.858 ( -10.722 12.420 7.552) 18.062 13.517 ( -2.189 -5.210 1.210) 5.779 13.517 ( -2.189 5.210 1.210) 5.779 14.051 ( -2.564 -6.393 2.513) 7.332 14.051 ( -2.564 6.393 2.513) 7.332 14.624 ( 0.129 -2.391 0.722) 2.501 14.624 ( 0.129 2.391 0.722) 2.501 15.091 ( 1.069 -3.877 -2.495) 4.733 15.091 ( 1.069 3.877 -2.495) 4.733 16.527 ( 0.199 -3.328 0.620) 3.391 16.527 ( 0.199 3.328 0.620) 3.391 16.834 ( 4.003 -4.264 -1.844) 6.132 16.834 ( 4.003 4.264 -1.844) 6.132 17.793 ( -0.835 -2.295 -6.194) 6.658 17.793 ( -0.835 2.295 -6.194) 6.658 18.472 ( -5.587 -6.254 1.048) 8.451 18.472 ( -5.587 6.254 1.048) 8.451 18.597 ( -6.113 -3.402 4.132) 8.125 18.597 ( -6.113 3.402 4.132) 8.125 19.132 ( 2.301 -4.039 3.570) 5.861 19.132 ( 2.301 4.039 3.570) 5.861 28.441 ( -1.529 -2.662 1.409) 3.378 28.441 ( -1.529 2.662 1.409) 3.378 28.585 ( -0.752 -2.181 -0.797) 2.441 28.585 ( -0.752 2.181 -0.797) 2.441 29.942 ( -4.509 -5.612 5.427) 9.016 29.942 ( -4.509 5.612 5.427) 9.016 30.644 ( -6.671 -6.828 -9.201) 13.259 30.644 ( -6.671 6.828 -9.201) 13.259 31.218 ( -2.165 -1.922 -1.396) 3.214 31.218 ( -2.165 1.922 -1.396) 3.214 31.561 ( 0.455 -2.462 -0.484) 2.550 31.561 ( 0.455 2.462 -0.484) 2.550 32.557 ( 17.153 -1.320 -4.388) 17.754 32.557 ( 17.153 1.320 -4.388) 17.754 33.011 ( 2.980 -4.160 8.582) 9.992 33.011 ( 2.980 4.160 8.582) 9.992 ======================= Grid point 114 (60/156) ======================= q-point: ( 0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 5.063 -14.158 7.050) 16.607 2.557 ( 5.063 14.158 7.050) 16.607 3.306 ( 16.522 -15.447 18.364) 29.134 3.306 ( 16.522 15.447 18.364) 29.134 4.091 ( 15.342 -2.108 -10.151) 18.517 4.091 ( 15.342 2.108 -10.151) 18.517 4.367 ( 14.460 -5.536 -10.437) 18.673 4.367 ( 14.460 5.536 -10.437) 18.673 4.878 ( 7.138 -5.821 0.162) 9.212 4.878 ( 7.138 5.821 0.162) 9.212 5.124 ( 17.863 -1.998 -5.596) 18.825 5.124 ( 17.863 1.998 -5.596) 18.825 5.357 ( 4.420 -7.893 -3.993) 9.888 5.357 ( 4.420 7.893 -3.993) 9.888 5.852 ( 12.415 -12.050 -0.299) 17.304 5.852 ( 12.415 12.050 -0.299) 17.304 6.428 ( 1.457 -8.131 -6.363) 10.427 6.428 ( 1.457 8.131 -6.363) 10.427 6.588 ( -1.321 -12.088 11.445) 16.699 6.588 ( -1.321 12.088 11.445) 16.699 7.297 ( -8.906 -13.761 -1.041) 16.424 7.297 ( -8.906 13.761 -1.041) 16.424 8.093 ( -1.006 -8.198 -6.489) 10.504 8.093 ( -1.006 8.198 -6.489) 10.504 8.335 ( -6.677 -1.961 4.159) 8.107 8.335 ( -6.677 1.961 4.159) 8.107 8.802 ( -0.029 -9.799 -1.514) 9.916 8.802 ( -0.029 9.799 -1.514) 9.916 9.543 ( -4.155 -6.189 10.665) 13.012 9.543 ( -4.155 6.189 10.665) 13.012 9.839 ( -2.725 -6.826 -0.210) 7.353 9.839 ( -2.725 6.826 -0.210) 7.353 10.463 ( 1.257 -8.425 0.374) 8.527 10.463 ( 1.257 8.425 0.374) 8.527 10.924 ( 2.228 -7.808 -3.060) 8.677 10.924 ( 2.228 7.808 -3.060) 8.677 11.338 ( 11.528 -3.019 1.272) 11.985 11.338 ( 11.528 3.019 1.272) 11.985 12.165 ( 5.603 -7.699 -13.236) 16.305 12.165 ( 5.603 7.699 -13.236) 16.305 12.702 ( -14.805 -13.047 7.291) 21.037 12.702 ( -14.805 13.047 7.291) 21.037 13.494 ( -1.805 -3.669 1.272) 4.282 13.494 ( -1.805 3.669 1.272) 4.282 14.022 ( -2.957 -9.995 2.364) 10.688 14.022 ( -2.957 9.995 2.364) 10.688 14.646 ( 1.697 -3.918 0.982) 4.381 14.646 ( 1.697 3.918 0.982) 4.381 15.100 ( 2.385 -3.842 -1.730) 4.841 15.100 ( 2.385 3.842 -1.730) 4.841 16.564 ( 2.368 -2.775 1.407) 3.910 16.564 ( 2.368 2.775 1.407) 3.910 16.884 ( 4.309 -3.558 -3.036) 6.359 16.884 ( 4.309 3.558 -3.036) 6.359 17.690 ( -2.640 -1.792 -6.692) 7.414 17.690 ( -2.640 1.792 -6.692) 7.414 18.360 ( -9.762 -8.895 5.331) 14.242 18.360 ( -9.762 8.895 5.331) 14.242 18.556 ( -2.623 -1.481 2.091) 3.667 18.556 ( -2.623 1.481 2.091) 3.667 19.190 ( 0.493 -6.808 2.072) 7.133 19.190 ( 0.493 6.808 2.072) 7.133 28.419 ( -2.378 -1.556 1.326) 3.136 28.419 ( -2.378 1.556 1.326) 3.136 28.563 ( -0.907 -2.089 -0.526) 2.337 28.563 ( -0.907 2.089 -0.526) 2.337 29.912 ( -4.755 -6.447 4.667) 9.271 29.912 ( -4.755 6.447 4.667) 9.271 30.477 ( -4.097 -5.835 -3.573) 7.975 30.477 ( -4.097 5.835 -3.573) 7.975 31.079 ( -10.071 -4.336 -3.807) 11.607 31.079 ( -10.071 4.336 -3.807) 11.607 31.592 ( 5.134 -1.326 -2.756) 5.975 31.592 ( 5.134 1.326 -2.756) 5.975 32.818 ( 12.442 -10.889 1.800) 16.632 32.818 ( 12.442 10.889 1.800) 16.632 33.198 ( 11.499 -20.332 1.730) 23.423 33.198 ( 11.499 20.332 1.730) 23.423 ======================= Grid point 116 (61/156) ======================= q-point: ( 0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -3.481 -15.114 10.237) 18.583 2.651 ( -3.481 15.114 10.237) 18.583 3.690 ( 7.937 -27.451 2.172) 28.657 3.690 ( 7.937 27.451 2.172) 28.657 3.997 ( 0.042 -8.392 -3.732) 9.185 3.997 ( 0.042 8.392 -3.732) 9.185 4.509 ( 3.762 -18.712 -4.839) 19.690 4.509 ( 3.762 18.712 -4.839) 19.690 5.041 ( 0.193 -7.927 -1.885) 8.151 5.041 ( 0.193 7.927 -1.885) 8.151 5.270 ( 11.703 -3.668 -1.739) 12.387 5.270 ( 11.703 3.668 -1.739) 12.387 5.559 ( 14.517 -5.327 -2.353) 15.642 5.559 ( 14.517 5.327 -2.353) 15.642 6.131 ( 18.355 -8.420 0.135) 20.194 6.131 ( 18.355 8.420 0.135) 20.194 6.541 ( 21.295 -4.271 -6.819) 22.764 6.541 ( 21.295 4.271 -6.819) 22.764 6.822 ( 9.942 -11.459 12.516) 19.667 6.822 ( 9.942 11.459 12.516) 19.667 7.193 ( -0.040 -9.324 -0.037) 9.324 7.193 ( -0.040 9.324 -0.037) 9.324 7.914 ( -8.208 -3.446 -4.958) 10.189 7.914 ( -8.208 3.446 -4.958) 10.189 8.300 ( -1.944 -2.371 0.852) 3.182 8.300 ( -1.944 2.371 0.852) 3.182 8.786 ( 0.220 -9.971 -1.105) 10.034 8.786 ( 0.220 9.971 -1.105) 10.034 9.496 ( -10.082 -3.234 5.713) 12.031 9.496 ( -10.082 3.234 5.713) 12.031 9.789 ( -2.331 -7.768 -1.677) 8.282 9.789 ( -2.331 7.768 -1.677) 8.282 10.510 ( 6.098 -7.557 -4.147) 10.559 10.510 ( 6.098 7.557 -4.147) 10.559 10.890 ( -4.419 -11.827 0.477) 12.635 10.890 ( -4.419 11.827 0.477) 12.635 11.525 ( 8.485 -7.254 -0.036) 11.164 11.525 ( 8.485 7.254 -0.036) 11.164 12.101 ( -0.927 -5.314 -8.182) 9.800 12.101 ( -0.927 5.314 -8.182) 9.800 12.513 ( -13.886 -9.734 6.400) 18.126 12.513 ( -13.886 9.734 6.400) 18.126 13.478 ( -1.892 -3.317 1.720) 4.188 13.478 ( -1.892 3.317 1.720) 4.188 14.014 ( -0.624 -8.902 2.294) 9.213 14.014 ( -0.624 8.902 2.294) 9.213 14.713 ( 3.622 -4.301 2.401) 6.114 14.713 ( 3.622 4.301 2.401) 6.114 15.138 ( 3.290 -3.446 -0.480) 4.789 15.138 ( 3.290 3.446 -0.480) 4.789 16.621 ( 2.094 -1.393 0.837) 2.651 16.621 ( 2.094 1.393 0.837) 2.651 16.916 ( 3.483 -2.498 -4.155) 5.969 16.916 ( 3.483 2.498 -4.155) 5.969 17.570 ( -2.773 -2.143 -5.922) 6.882 17.570 ( -2.773 2.143 -5.922) 6.882 18.252 ( -8.885 -8.521 5.604) 13.526 18.252 ( -8.885 8.521 5.604) 13.526 18.543 ( -1.211 -1.954 1.758) 2.894 18.543 ( -1.211 1.954 1.758) 2.894 19.191 ( -1.578 -8.032 0.216) 8.188 19.191 ( -1.578 8.032 0.216) 8.188 28.391 ( -1.918 -1.450 0.826) 2.542 28.391 ( -1.918 1.450 0.826) 2.542 28.541 ( -1.103 -3.211 -0.201) 3.401 28.541 ( -1.103 3.211 -0.201) 3.401 29.878 ( -4.182 -7.151 3.998) 9.198 29.878 ( -4.182 7.151 3.998) 9.198 30.413 ( -1.571 -3.874 0.225) 4.187 30.413 ( -1.571 3.874 0.225) 4.187 30.828 ( -10.609 -3.511 -6.169) 12.765 30.828 ( -10.609 3.511 -6.169) 12.765 31.648 ( 2.763 -1.610 -1.190) 3.412 31.648 ( 2.763 1.610 -1.190) 3.412 33.040 ( 8.989 -11.964 4.167) 15.534 33.040 ( 8.989 11.964 4.167) 15.534 33.430 ( 13.980 -22.441 -2.153) 26.527 33.430 ( 13.980 22.441 -2.153) 26.527 ======================= Grid point 118 (62/156) ======================= q-point: ( 0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -5.940 -11.750 12.485) 18.144 2.685 ( -5.940 11.750 12.485) 18.144 3.590 ( -3.943 -22.493 -8.386) 24.327 3.590 ( -3.943 22.493 -8.386) 24.327 4.185 ( 7.517 -7.745 9.290) 14.241 4.185 ( 7.517 7.745 9.290) 14.241 4.512 ( 3.794 -14.719 -2.982) 15.490 4.512 ( 3.794 14.719 -2.982) 15.490 4.878 ( -10.136 -11.650 -3.969) 15.944 4.878 ( -10.136 11.650 -3.969) 15.944 5.446 ( 4.468 -4.181 0.223) 6.123 5.446 ( 4.469 4.181 0.223) 6.123 5.688 ( 5.153 -3.756 2.177) 6.738 5.688 ( 5.153 3.756 2.177) 6.738 6.480 ( 14.288 -4.037 -0.767) 14.867 6.480 ( 14.288 4.037 -0.767) 14.867 6.758 ( 2.130 -2.324 0.626) 3.214 6.758 ( 2.131 2.324 0.626) 3.214 7.137 ( 17.746 -6.914 -2.126) 19.164 7.137 ( 17.746 6.914 -2.126) 19.164 7.366 ( 15.378 -10.842 1.226) 18.856 7.366 ( 15.378 10.842 1.226) 18.856 7.845 ( 8.776 -8.212 -1.885) 12.166 7.845 ( 8.776 8.212 -1.885) 12.166 8.272 ( -0.398 -2.191 -1.178) 2.519 8.272 ( -0.398 2.191 -1.178) 2.519 8.798 ( 0.407 -9.244 2.026) 9.472 8.798 ( 0.407 9.244 2.026) 9.472 9.357 ( -9.105 -2.315 1.884) 9.582 9.357 ( -9.105 2.315 1.884) 9.582 9.702 ( -4.845 -7.885 -1.917) 9.451 9.702 ( -4.845 7.885 -1.917) 9.451 10.540 ( 3.713 -7.950 -9.537) 12.959 10.540 ( 3.713 7.950 -9.537) 12.959 10.829 ( -3.799 -11.395 5.339) 13.145 10.829 ( -3.799 11.395 5.339) 13.145 11.651 ( 6.389 -10.676 -0.370) 12.447 11.651 ( 6.389 10.676 -0.370) 12.447 11.934 ( -9.156 -3.176 -5.303) 11.047 11.934 ( -9.156 3.176 -5.303) 11.047 12.361 ( -9.490 -5.065 4.063) 11.499 12.361 ( -9.490 5.065 4.063) 11.499 13.464 ( -1.815 -5.672 1.967) 6.271 13.464 ( -1.815 5.672 1.967) 6.271 14.038 ( 0.672 -5.383 1.189) 5.554 14.038 ( 0.672 5.383 1.189) 5.554 14.807 ( 3.092 -3.277 2.826) 5.318 14.807 ( 3.092 3.277 2.826) 5.318 15.206 ( 3.464 -3.376 1.095) 4.959 15.206 ( 3.464 3.376 1.095) 4.959 16.646 ( 0.701 -2.287 -0.394) 2.425 16.646 ( 0.701 2.287 -0.394) 2.425 16.925 ( 2.434 -1.387 -3.514) 4.494 16.925 ( 2.434 1.387 -3.514) 4.494 17.482 ( -0.805 -4.780 -3.974) 6.268 17.482 ( -0.805 4.780 -3.974) 6.268 18.161 ( -6.769 -5.872 3.251) 9.533 18.161 ( -6.769 5.872 3.251) 9.533 18.548 ( -0.747 -1.852 2.313) 3.056 18.548 ( -0.747 1.852 2.313) 3.056 19.150 ( -1.873 -8.275 -1.457) 8.608 19.150 ( -1.873 8.275 -1.457) 8.608 28.368 ( -1.151 -1.206 -0.077) 1.669 28.368 ( -1.151 1.206 -0.077) 1.669 28.521 ( -0.956 -3.291 -0.012) 3.427 28.521 ( -0.956 3.291 -0.012) 3.427 29.853 ( -3.254 -7.536 3.744) 9.022 29.853 ( -3.254 7.536 3.744) 9.022 30.407 ( -0.573 -2.182 1.440) 2.677 30.407 ( -0.573 2.182 1.440) 2.677 30.611 ( -6.383 -2.584 -4.783) 8.385 30.611 ( -6.383 2.584 -4.783) 8.385 31.660 ( -0.461 -2.638 0.176) 2.683 31.660 ( -0.461 2.638 0.176) 2.683 33.218 ( 7.027 -8.051 1.538) 10.797 33.218 ( 7.027 8.051 1.538) 10.797 33.629 ( 10.053 -17.666 -1.470) 20.380 33.629 ( 10.053 17.666 -1.470) 20.380 ======================= Grid point 120 (63/156) ======================= q-point: ( 0.45 -0.50 -0.86) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -7.014 -12.915 13.733) 20.115 2.709 ( -7.014 12.915 13.733) 20.115 3.541 ( 2.391 -19.333 3.729) 19.834 3.541 ( 2.391 19.333 3.729) 19.834 4.315 ( -0.509 -2.527 0.091) 2.579 4.315 ( -0.509 2.527 0.091) 2.580 4.584 ( -0.848 -9.806 3.497) 10.445 4.584 ( -0.848 9.806 3.497) 10.445 4.708 ( 1.981 -1.876 -2.699) 3.838 4.708 ( 1.981 1.876 -2.699) 3.838 5.434 ( -1.322 -0.324 -3.969) 4.196 5.434 ( -1.322 0.324 -3.969) 4.196 5.843 ( 3.285 -3.397 9.361) 10.486 5.843 ( 3.285 3.397 9.361) 10.486 6.542 ( -0.535 -8.834 -7.783) 11.785 6.542 ( -0.535 8.834 -7.783) 11.785 6.759 ( 1.649 -4.378 -2.725) 5.414 6.759 ( 1.649 4.378 -2.725) 5.414 7.241 ( -3.208 -5.856 7.416) 9.979 7.241 ( -3.208 5.856 7.416) 9.979 7.690 ( 15.556 -4.409 -6.423) 17.398 7.690 ( 15.556 4.409 -6.423) 17.398 8.106 ( 17.620 -4.056 -0.888) 18.103 8.106 ( 17.620 4.056 -0.888) 18.103 8.267 ( -1.376 -1.428 0.080) 1.985 8.267 ( -1.376 1.428 0.080) 1.985 8.813 ( -3.949 -7.913 4.780) 10.052 8.813 ( -3.949 7.913 4.780) 10.052 9.217 ( -6.308 -2.934 -2.617) 7.433 9.217 ( -6.308 2.934 -2.617) 7.433 9.621 ( -1.217 -7.039 -0.276) 7.149 9.621 ( -1.217 7.039 -0.276) 7.149 10.476 ( 1.920 -12.022 -6.752) 13.921 10.476 ( 1.920 12.022 -6.752) 13.921 10.863 ( 0.667 -5.438 3.092) 6.291 10.863 ( 0.667 5.438 3.092) 6.291 11.675 ( -5.671 -6.425 -7.536) 11.412 11.675 ( -5.671 6.425 -7.536) 11.412 11.793 ( 3.682 -2.167 2.545) 4.973 11.793 ( 3.682 2.167 2.545) 4.973 12.255 ( -5.688 -1.448 1.523) 6.064 12.255 ( -5.688 1.448 1.523) 6.064 13.459 ( -1.264 -7.388 2.367) 7.860 13.459 ( -1.264 7.388 2.367) 7.860 14.046 ( -0.361 -3.370 -0.700) 3.460 14.046 ( -0.361 3.370 -0.700) 3.460 14.865 ( 0.174 -2.449 2.177) 3.282 14.865 ( 0.174 2.449 2.177) 3.282 15.253 ( 0.344 -3.162 0.083) 3.182 15.253 ( 0.344 3.162 0.083) 3.182 16.661 ( 0.964 -2.484 1.171) 2.910 16.661 ( 0.964 2.484 1.171) 2.910 16.935 ( 2.096 -1.699 -1.896) 3.298 16.935 ( 2.096 1.699 -1.896) 3.298 17.465 ( 2.388 -6.655 -1.631) 7.257 17.465 ( 2.388 6.655 -1.631) 7.257 18.079 ( -4.453 -2.421 0.140) 5.071 18.079 ( -4.453 2.421 0.140) 5.071 18.560 ( -1.171 -1.039 2.849) 3.251 18.560 ( -1.171 1.039 2.849) 3.251 19.107 ( -0.269 -8.285 -2.593) 8.685 19.107 ( -0.269 8.285 -2.593) 8.685 28.347 ( -0.474 -0.511 -1.106) 1.307 28.347 ( -0.474 0.511 -1.106) 1.307 28.509 ( -0.371 -2.483 0.041) 2.511 28.509 ( -0.371 2.483 0.041) 2.511 29.840 ( -2.531 -7.662 3.481) 8.788 29.840 ( -2.531 7.662 3.481) 8.788 30.409 ( -0.898 -1.492 0.952) 1.984 30.409 ( -0.898 1.492 0.952) 1.984 30.521 ( 0.222 -2.343 -1.140) 2.615 30.521 ( 0.222 2.343 -1.140) 2.615 31.652 ( -0.728 -2.884 0.927) 3.116 31.652 ( -0.728 2.884 0.927) 3.116 33.304 ( 2.086 -5.388 -1.382) 5.941 33.304 ( 2.086 5.388 -1.382) 5.941 33.747 ( 4.063 -14.794 -0.360) 15.346 33.747 ( 4.063 14.794 -0.360) 15.346 ======================= Grid point 122 (64/156) ======================= q-point: (-0.45 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -7.453 -19.192 16.402) 26.323 2.740 ( -7.453 19.192 16.402) 26.323 3.734 ( 9.118 -15.711 8.896) 20.227 3.734 ( 9.118 15.711 8.896) 20.227 4.114 ( -13.463 -5.819 -6.713) 16.130 4.114 ( -13.463 5.819 -6.713) 16.130 4.642 ( 4.025 -8.341 3.588) 9.932 4.642 ( 4.025 8.341 3.588) 9.932 4.863 ( 8.807 -6.504 5.699) 12.343 4.863 ( 8.807 6.504 5.699) 12.343 5.357 ( -2.655 -1.470 -2.440) 3.894 5.357 ( -2.655 1.470 -2.440) 3.894 5.960 ( -1.932 -3.186 9.333) 10.049 5.960 ( -1.932 3.186 9.333) 10.049 6.415 ( -0.193 -8.092 -10.751) 13.457 6.415 ( -0.193 8.092 -10.751) 13.457 6.747 ( 0.506 -4.694 -3.509) 5.883 6.747 ( 0.506 4.694 -3.509) 5.883 7.245 ( -5.932 -3.442 3.206) 7.571 7.245 ( -5.932 3.442 3.206) 7.571 7.705 ( -4.598 -3.876 -6.338) 8.737 7.705 ( -4.598 3.876 -6.338) 8.737 8.104 ( -16.162 -3.353 3.247) 16.823 8.104 ( -16.162 3.353 3.247) 16.823 8.339 ( 1.111 -6.017 2.771) 6.717 8.339 ( 1.111 6.017 2.771) 6.717 8.759 ( -2.527 -9.024 1.028) 9.427 8.759 ( -2.527 9.024 1.028) 9.427 9.129 ( 2.675 -0.555 -5.153) 5.832 9.129 ( 2.675 0.555 -5.153) 5.832 9.666 ( 4.847 -4.025 0.829) 6.354 9.666 ( 4.847 4.025 0.829) 6.354 10.506 ( 7.050 -14.036 -5.547) 16.658 10.506 ( 7.050 14.036 -5.547) 16.658 10.889 ( -1.334 -4.566 4.204) 6.348 10.889 ( -1.334 4.566 4.204) 6.348 11.516 ( -0.574 -2.910 -8.206) 8.725 11.516 ( -0.574 2.910 -8.206) 8.725 11.951 ( 9.262 -5.633 3.182) 11.298 11.951 ( 9.262 5.633 3.182) 11.298 12.194 ( -1.534 -3.689 -0.910) 4.098 12.194 ( -1.534 3.689 -0.910) 4.098 13.470 ( -0.657 -6.904 2.869) 7.506 13.470 ( -0.657 6.905 2.869) 7.506 14.008 ( -1.934 -3.860 -2.316) 4.899 14.008 ( -1.934 3.860 -2.316) 4.899 14.858 ( -3.410 -3.858 1.881) 5.482 14.858 ( -3.410 3.858 1.881) 5.482 15.225 ( -1.830 -1.056 -1.213) 2.436 15.225 ( -1.830 1.056 -1.213) 2.436 16.686 ( -1.203 -2.116 1.976) 3.135 16.686 ( -1.203 2.116 1.976) 3.135 16.969 ( 2.810 -3.253 0.233) 4.305 16.969 ( 2.810 3.253 0.233) 4.305 17.532 ( 5.744 -6.848 0.442) 8.949 17.532 ( 5.744 6.848 0.442) 8.949 18.008 ( -1.964 -1.533 -2.441) 3.488 18.008 ( -1.964 1.533 -2.441) 3.488 18.564 ( -2.004 -0.444 3.112) 3.728 18.564 ( -2.004 0.444 3.112) 3.728 19.088 ( 1.807 -8.591 -3.503) 9.452 19.088 ( 1.807 8.591 -3.503) 9.452 28.330 ( 0.258 -1.193 -1.738) 2.124 28.330 ( 0.258 1.193 -1.738) 2.124 28.509 ( 0.436 -1.841 0.036) 1.892 28.509 ( 0.436 1.841 0.036) 1.892 29.837 ( -1.786 -7.503 3.288) 8.384 29.837 ( -1.786 7.503 3.288) 8.384 30.397 ( -1.088 -1.760 0.566) 2.145 30.397 ( -1.088 1.760 0.566) 2.145 30.588 ( 6.547 -2.340 1.378) 7.088 30.588 ( 6.547 2.340 1.378) 7.088 31.663 ( 0.588 -1.647 1.425) 2.256 31.663 ( 0.588 1.647 1.425) 2.256 33.256 ( -4.622 -5.205 -3.161) 7.645 33.256 ( -4.622 5.205 -3.161) 7.645 33.764 ( -2.009 -15.805 0.210) 15.934 33.764 ( -2.009 15.805 0.210) 15.934 ======================= Grid point 124 (65/156) ======================= q-point: (-0.36 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -8.175 -24.795 16.544) 30.908 2.782 ( -8.175 24.795 16.544) 30.908 3.631 ( -17.074 -16.289 -11.079) 26.069 3.631 ( -17.074 16.289 -11.079) 26.069 4.163 ( 13.541 -8.671 11.056) 19.513 4.163 ( 13.541 8.671 11.056) 19.513 4.717 ( -2.076 -10.190 5.593) 11.808 4.717 ( -2.076 10.190 5.593) 11.808 5.063 ( 6.766 -6.362 -0.277) 9.291 5.063 ( 6.766 6.362 -0.277) 9.291 5.355 ( 1.580 -4.419 8.015) 9.288 5.355 ( 1.580 4.419 8.015) 9.288 5.965 ( -5.675 -3.726 4.691) 8.251 5.965 ( -5.675 3.726 4.691) 8.251 6.335 ( -1.120 -5.752 -4.479) 7.376 6.335 ( -1.120 5.752 -4.479) 7.376 6.655 ( -12.932 -3.115 -1.099) 13.347 6.655 ( -12.932 3.115 -1.099) 13.347 6.976 ( -14.856 -5.483 -10.762) 19.147 6.976 ( -14.856 5.483 -10.762) 19.147 7.427 ( -22.175 -3.151 -1.552) 22.452 7.427 ( -22.175 3.151 -1.552) 22.452 7.882 ( -7.278 -4.365 4.084) 9.418 7.882 ( -7.278 4.365 4.084) 9.418 8.313 ( -1.361 -6.655 1.134) 6.887 8.313 ( -1.361 6.655 1.134) 6.887 8.788 ( 2.426 -4.924 -0.295) 5.497 8.788 ( 2.426 4.924 -0.295) 5.497 9.166 ( 5.810 -1.686 -4.879) 7.772 9.166 ( 5.810 1.686 -4.879) 7.772 9.765 ( 4.728 -3.353 0.032) 5.796 9.765 ( 4.728 3.353 0.032) 5.796 10.514 ( 0.089 -10.980 -5.512) 12.286 10.514 ( 0.089 10.980 -5.512) 12.286 10.946 ( 2.242 -7.965 3.153) 8.855 10.946 ( 2.242 7.965 3.153) 8.855 11.493 ( 4.561 -6.481 -3.723) 8.756 11.493 ( 4.561 6.481 -3.723) 8.756 12.132 ( 4.574 -6.648 -0.484) 8.084 12.132 ( 4.574 6.648 -0.484) 8.084 12.220 ( 9.027 -7.344 0.698) 11.658 12.220 ( 9.027 7.344 0.697) 11.658 13.494 ( -0.391 -5.152 3.362) 6.165 13.494 ( -0.391 5.152 3.362) 6.165 13.944 ( -1.672 -5.880 -2.504) 6.606 13.944 ( -1.672 5.880 -2.504) 6.606 14.796 ( -5.220 -5.089 1.985) 7.555 14.796 ( -5.220 5.089 1.985) 7.555 15.190 ( -1.338 -0.206 0.170) 1.365 15.190 ( -1.338 0.206 0.170) 1.365 16.647 ( -3.905 -1.392 0.000) 4.146 16.647 ( -3.905 1.392 0.000) 4.146 17.014 ( 0.508 -4.553 0.790) 4.648 17.014 ( 0.508 4.553 0.790) 4.648 17.670 ( 8.193 -6.966 1.130) 10.814 17.670 ( 8.193 6.966 1.130) 10.814 17.968 ( 1.231 -3.401 -2.768) 4.555 17.968 ( 1.231 3.401 -2.768) 4.555 18.558 ( -2.218 -1.001 3.259) 4.067 18.558 ( -2.218 1.001 3.259) 4.067 19.088 ( 2.644 -8.930 -4.421) 10.309 19.088 ( 2.644 8.930 -4.421) 10.309 28.323 ( 1.196 -1.944 -1.724) 2.860 28.323 ( 1.196 1.944 -1.724) 2.860 28.524 ( 1.135 -1.686 0.052) 2.033 28.524 ( 1.135 1.686 0.052) 2.033 29.849 ( -1.012 -7.109 3.594) 8.030 29.849 ( -1.012 7.109 3.594) 8.030 30.396 ( 0.933 -3.017 0.386) 3.181 30.396 ( 0.933 3.017 0.386) 3.181 30.757 ( 9.935 -2.134 1.384) 10.255 30.757 ( 9.935 2.134 1.384) 10.255 31.698 ( 1.062 -1.072 1.883) 2.413 31.698 ( 1.062 1.072 1.883) 2.413 33.087 ( -9.463 -7.088 -3.616) 12.364 33.087 ( -9.463 7.088 -3.616) 12.364 33.678 ( -8.161 -19.086 0.414) 20.761 33.678 ( -8.161 19.086 0.414) 20.761 ======================= Grid point 126 (66/156) ======================= q-point: (-0.27 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -9.436 -30.816 11.083) 34.081 2.780 ( -9.436 30.816 11.083) 34.081 3.198 ( -18.686 -22.775 -6.565) 30.183 3.198 ( -18.686 22.775 -6.565) 30.183 4.458 ( 4.655 -8.858 4.111) 10.818 4.458 ( 4.655 8.858 4.111) 10.818 4.682 ( -7.521 -8.834 4.476) 12.436 4.682 ( -7.521 8.834 4.476) 12.436 5.115 ( 0.727 -6.973 0.659) 7.042 5.115 ( 0.727 6.973 0.659) 7.042 5.431 ( -11.198 -14.817 5.691) 19.425 5.431 ( -11.198 14.817 5.691) 19.425 5.868 ( -15.925 -0.607 9.049) 18.326 5.868 ( -15.925 0.607 9.049) 18.326 6.060 ( -16.764 -3.805 -3.921) 17.632 6.060 ( -16.764 3.805 -3.921) 17.632 6.386 ( -8.392 -6.143 -1.417) 10.497 6.386 ( -8.392 6.143 -1.417) 10.497 6.689 ( -10.629 -0.509 -4.525) 11.563 6.689 ( -10.629 0.509 -4.525) 11.563 7.130 ( -0.151 -10.433 -1.611) 10.558 7.130 ( -0.151 10.433 -1.611) 10.558 7.928 ( 7.779 -4.651 -2.106) 9.305 7.928 ( 7.779 4.651 -2.106) 9.305 8.324 ( 0.483 -4.345 0.463) 4.396 8.324 ( 0.483 4.345 0.463) 4.396 8.793 ( -0.350 -2.324 -1.693) 2.896 8.793 ( -0.350 2.324 -1.693) 2.896 9.198 ( 3.699 -2.362 -5.128) 6.749 9.198 ( 3.699 2.362 -5.128) 6.749 9.814 ( 1.432 -3.539 -1.577) 4.131 9.814 ( 1.432 3.539 -1.577) 4.131 10.447 ( -2.392 -9.631 -1.085) 9.982 10.447 ( -2.392 9.631 -1.085) 9.982 10.965 ( 0.113 -6.638 -4.448) 7.991 10.965 ( 0.113 6.638 -4.448) 7.991 11.538 ( -2.189 -9.727 4.235) 10.832 11.538 ( -2.189 9.727 4.235) 10.832 12.198 ( 9.885 -8.398 -6.483) 14.501 12.198 ( 9.885 8.398 -6.483) 14.501 12.440 ( 9.353 -8.402 5.219) 13.613 12.440 ( 9.353 8.402 5.219) 13.613 13.525 ( -0.693 -3.647 3.947) 5.418 13.525 ( -0.693 3.647 3.947) 5.418 13.916 ( 1.231 -7.640 -1.479) 7.879 13.916 ( 1.231 7.640 -1.479) 7.879 14.733 ( -4.347 -5.333 2.718) 7.397 14.733 ( -4.347 5.333 2.718) 7.397 15.170 ( -1.967 -1.146 0.977) 2.477 15.170 ( -1.967 1.146 0.977) 2.477 16.571 ( -3.500 -2.124 -0.769) 4.165 16.571 ( -3.500 2.124 -0.769) 4.165 16.988 ( -2.924 -4.820 -1.242) 5.773 16.988 ( -2.924 4.820 -1.242) 5.773 17.806 ( 6.687 -4.843 -2.839) 8.731 17.806 ( 6.687 4.843 -2.840) 8.731 18.028 ( 7.037 -3.229 2.129) 8.029 18.028 ( 7.037 3.229 2.129) 8.029 18.561 ( -1.554 -1.835 3.776) 4.477 18.561 ( -1.554 1.835 3.776) 4.477 19.078 ( 1.687 -8.579 -5.036) 10.090 19.078 ( 1.687 8.579 -5.036) 10.090 28.338 ( 2.192 -2.544 -1.192) 3.564 28.338 ( 2.192 2.544 -1.192) 3.564 28.549 ( 1.464 -2.003 0.101) 2.483 28.549 ( 1.464 2.003 0.101) 2.483 29.874 ( -0.870 -6.352 4.082) 7.601 29.874 ( -0.870 6.352 4.082) 7.601 30.456 ( 5.520 -4.636 0.744) 7.248 30.456 ( 5.520 4.636 0.744) 7.248 30.944 ( 10.205 -2.023 -1.049) 10.456 30.944 ( 10.205 2.023 -1.049) 10.456 31.721 ( -1.537 -2.197 1.878) 3.274 31.721 ( -1.537 2.197 1.878) 3.274 32.882 ( -8.656 -10.601 -2.297) 13.877 32.882 ( -8.656 10.601 -2.297) 13.877 33.475 ( -15.046 -22.078 -0.094) 26.718 33.475 ( -15.046 22.078 -0.094) 26.718 ======================= Grid point 128 (67/156) ======================= q-point: (-0.18 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -11.063 -24.053 -4.028) 26.780 2.639 ( -11.063 24.053 -4.028) 26.780 2.880 ( -20.869 -13.497 12.867) 27.986 2.880 ( -20.869 13.497 12.867) 27.986 4.187 ( -35.867 -2.249 0.496) 35.941 4.187 ( -35.867 2.249 0.496) 35.941 4.615 ( -0.389 -6.593 -4.354) 7.910 4.615 ( -0.389 6.593 -4.354) 7.910 4.906 ( -19.548 -16.399 -3.758) 25.791 4.906 ( -19.548 16.399 -3.758) 25.791 5.249 ( -10.522 -8.779 4.554) 14.440 5.249 ( -10.522 8.779 4.554) 14.440 5.626 ( -10.219 -7.379 1.564) 12.702 5.626 ( -10.219 7.379 1.564) 12.702 5.929 ( -3.864 -8.134 1.385) 9.111 5.929 ( -3.864 8.134 1.385) 9.111 6.341 ( 1.312 -4.464 8.704) 9.869 6.341 ( 1.312 4.464 8.704) 9.869 6.610 ( 3.789 -5.162 -3.057) 7.096 6.610 ( 3.789 5.162 -3.057) 7.096 7.291 ( 14.169 -12.591 0.398) 18.959 7.291 ( 14.169 12.591 0.398) 18.959 8.006 ( 4.596 -3.467 -8.762) 10.484 8.006 ( 4.596 3.467 -8.762) 10.484 8.344 ( 1.613 -5.124 2.329) 5.855 8.344 ( 1.613 5.124 2.329) 5.855 8.772 ( 1.779 -1.568 -2.669) 3.571 8.772 ( 1.779 1.568 -2.669) 3.571 9.201 ( 1.942 -3.068 -2.677) 4.511 9.201 ( 1.942 3.068 -2.677) 4.511 9.780 ( -2.296 -5.198 -3.002) 6.427 9.780 ( -2.296 5.198 -3.002) 6.427 10.415 ( -2.597 -8.278 2.615) 9.062 10.415 ( -2.597 8.278 2.615) 9.062 10.883 ( -1.248 -6.013 -6.173) 8.708 10.883 ( -1.248 6.013 -6.173) 8.708 11.460 ( -12.230 -8.849 5.535) 16.078 11.460 ( -12.230 8.849 5.535) 16.078 12.327 ( 13.113 -12.764 -10.975) 21.338 12.327 ( 13.113 12.764 -10.975) 21.338 12.647 ( 5.911 -6.831 7.871) 11.982 12.647 ( 5.911 6.831 7.871) 11.982 13.548 ( -1.705 -1.869 4.242) 4.939 13.548 ( -1.705 1.869 4.242) 4.939 13.953 ( 3.514 -7.051 -0.466) 7.892 13.953 ( 3.514 7.051 -0.466) 7.892 14.694 ( -3.902 -4.903 3.052) 6.970 14.694 ( -3.902 4.903 3.052) 6.970 15.139 ( -1.771 -1.921 0.059) 2.614 15.139 ( -1.771 1.921 0.059) 2.614 16.526 ( -0.937 -2.598 0.362) 2.785 16.526 ( -0.937 2.598 0.362) 2.785 16.902 ( -3.608 -4.545 -2.856) 6.468 16.902 ( -3.608 4.545 -2.856) 6.468 17.852 ( 4.182 -3.169 -5.075) 7.300 17.852 ( 4.182 3.169 -5.075) 7.300 18.242 ( 11.280 -6.333 4.072) 13.562 18.242 ( 11.280 6.333 4.072) 13.562 18.588 ( -0.641 -2.963 5.208) 6.026 18.588 ( -0.641 2.963 5.208) 6.026 19.041 ( -0.053 -6.997 -4.254) 8.189 19.041 ( -0.053 6.997 -4.254) 8.189 28.373 ( 2.598 -3.138 -0.465) 4.100 28.373 ( 2.598 3.138 -0.465) 4.100 28.576 ( 1.414 -2.920 0.119) 3.247 28.576 ( 1.414 2.920 0.119) 3.247 29.904 ( -1.055 -5.465 4.634) 7.243 29.904 ( -1.055 5.465 4.634) 7.243 30.617 ( 11.460 -3.991 0.833) 12.164 30.617 ( 11.460 3.991 0.833) 12.164 31.087 ( 8.666 -3.196 -3.695) 9.949 31.087 ( 8.666 3.196 -3.695) 9.949 31.659 ( -6.688 -1.572 0.045) 6.871 31.659 ( -6.688 1.572 0.045) 6.871 32.764 ( -3.489 -15.224 0.475) 15.626 32.764 ( -3.489 15.224 0.475) 15.626 33.141 ( -21.156 -21.198 -0.793) 29.959 33.141 ( -21.156 21.198 -0.793) 29.959 ======================= Grid point 130 (68/156) ======================= q-point: (-0.09 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -18.999 -10.714 -3.378) 22.072 2.328 ( -18.999 10.714 -3.378) 22.072 2.673 ( -18.746 -18.672 16.070) 30.957 2.673 ( -18.746 18.672 16.070) 30.957 3.559 ( -26.723 -2.711 1.062) 26.881 3.559 ( -26.723 2.711 1.062) 26.881 4.550 ( -1.387 -14.393 -5.248) 15.383 4.550 ( -1.387 14.393 -5.248) 15.383 4.583 ( -9.293 -29.584 -3.794) 31.240 4.583 ( -9.293 29.584 -3.794) 31.240 5.070 ( -9.709 -5.302 1.457) 11.158 5.070 ( -9.709 5.302 1.457) 11.158 5.575 ( -0.016 -12.630 -0.955) 12.666 5.575 ( -0.016 12.629 -0.955) 12.666 5.901 ( 1.615 -12.422 -5.181) 13.556 5.901 ( 1.615 12.422 -5.181) 13.556 6.407 ( -2.667 -10.615 2.322) 11.188 6.407 ( -2.667 10.615 2.322) 11.188 6.742 ( 6.634 -8.242 6.263) 12.295 6.742 ( 6.634 8.242 6.263) 12.295 7.539 ( 12.077 -10.143 -0.306) 15.775 7.539 ( 12.077 10.143 -0.306) 15.775 7.909 ( -2.678 -4.567 -7.999) 9.593 7.909 ( -2.678 4.567 -7.999) 9.593 8.424 ( 2.360 -6.105 3.134) 7.257 8.424 ( 2.360 6.105 3.134) 7.257 8.819 ( 7.289 -4.142 -5.197) 9.864 8.819 ( 7.289 4.142 -5.197) 9.864 9.238 ( 2.161 -5.152 3.833) 6.775 9.238 ( 2.161 5.152 3.833) 6.775 9.704 ( -2.913 -7.204 0.374) 7.780 9.704 ( -2.913 7.204 0.374) 7.780 10.389 ( -3.871 -4.807 3.474) 7.083 10.389 ( -3.871 4.807 3.474) 7.083 10.842 ( 2.672 -6.153 -3.111) 7.394 10.842 ( 2.672 6.153 -3.111) 7.394 11.254 ( -15.171 -7.820 3.917) 17.512 11.254 ( -15.171 7.820 3.917) 17.512 12.378 ( 9.526 -9.545 -17.970) 22.467 12.378 ( 9.526 9.545 -17.970) 22.467 12.815 ( 2.367 -4.624 9.082) 10.462 12.815 ( 2.367 4.624 9.082) 10.462 13.553 ( -2.686 -4.329 4.021) 6.491 13.553 ( -2.686 4.329 4.021) 6.491 14.010 ( 2.440 -4.467 0.674) 5.135 14.010 ( 2.440 4.467 0.674) 5.135 14.652 ( -3.755 -4.521 2.281) 6.304 14.652 ( -3.755 4.521 2.281) 6.304 15.120 ( 0.246 -2.195 -1.213) 2.520 15.120 ( 0.246 2.195 -1.213) 2.520 16.535 ( 0.219 -1.277 1.251) 1.801 16.535 ( 0.219 1.277 1.251) 1.801 16.819 ( -1.669 -4.568 -3.011) 5.720 16.819 ( -1.669 4.568 -3.011) 5.720 17.862 ( 3.092 -3.582 -5.126) 6.976 17.862 ( 3.092 3.582 -5.126) 6.976 18.448 ( 7.098 -5.987 0.952) 9.335 18.448 ( 7.098 5.987 0.952) 9.335 18.652 ( 0.606 -5.771 5.701) 8.135 18.652 ( 0.606 5.771 5.701) 8.135 19.005 ( -0.530 -5.058 0.001) 5.086 19.005 ( -0.530 5.058 0.001) 5.086 28.413 ( 1.880 -3.507 0.249) 3.987 28.413 ( 1.880 3.507 0.249) 3.987 28.598 ( 0.868 -3.600 -0.104) 3.705 28.598 ( 0.868 3.600 -0.104) 3.705 29.935 ( -1.614 -5.031 5.344) 7.515 29.935 ( -1.614 5.031 5.344) 7.515 30.840 ( 12.255 -4.080 -3.769) 13.455 30.840 ( 12.255 4.080 -3.769) 13.455 31.196 ( 7.889 -3.008 -1.720) 8.617 31.196 ( 7.889 3.008 -1.720) 8.617 31.507 ( -6.746 -3.574 -3.285) 8.310 31.507 ( -6.746 3.574 -3.285) 8.310 32.649 ( -15.473 -8.771 -1.549) 17.853 32.649 ( -15.473 8.771 -1.549) 17.853 32.850 ( -5.606 -10.741 4.949) 13.088 32.850 ( -5.606 10.741 4.949) 13.088 ======================= Grid point 154 (69/156) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 29.533 0.000 32.580) 43.973 1.546 ( -3.680 0.000 39.452) 39.623 2.273 ( -12.194 0.000 57.036) 58.324 2.725 ( -9.551 0.000 -16.912) 19.422 3.368 ( 2.996 0.000 -23.446) 23.636 3.618 ( 6.796 0.000 4.438) 8.117 4.046 ( -8.783 0.000 -6.002) 10.638 4.335 ( -1.419 0.000 11.072) 11.162 4.562 ( 1.304 0.000 -15.765) 15.818 4.876 ( -2.092 0.000 12.563) 12.736 4.947 ( -10.759 0.000 -8.829) 13.918 5.051 ( 5.283 0.000 -4.531) 6.960 5.290 ( -5.666 0.000 -7.515) 9.411 5.461 ( 4.222 0.000 15.597) 16.158 5.838 ( -1.415 0.000 -23.444) 23.487 6.139 ( 11.439 0.000 0.182) 11.440 6.339 ( -5.617 0.000 -13.987) 15.073 6.579 ( -5.677 0.000 -14.005) 15.112 6.614 ( -2.423 0.000 4.575) 5.177 6.952 ( 2.539 0.000 -7.096) 7.537 7.437 ( -14.740 0.000 3.383) 15.123 7.744 ( 16.916 0.000 -4.644) 17.541 7.878 ( 10.095 0.000 1.711) 10.239 7.947 ( -2.158 0.000 -0.350) 2.186 8.179 ( -0.125 0.000 1.892) 1.896 8.236 ( -2.063 0.000 -1.429) 2.509 8.848 ( 2.415 0.000 2.576) 3.531 9.069 ( 2.458 0.000 1.177) 2.725 9.382 ( 6.071 0.000 21.291) 22.139 9.776 ( 10.398 0.000 9.744) 14.250 10.275 ( -19.260 0.000 0.487) 19.266 10.443 ( 6.923 0.000 -3.572) 7.790 10.461 ( 16.815 0.000 3.194) 17.116 10.584 ( 7.371 0.000 7.286) 10.364 10.641 ( -15.203 0.000 0.567) 15.214 11.086 ( -18.643 0.000 -10.421) 21.358 11.339 ( -0.142 0.000 4.383) 4.385 11.516 ( -3.405 0.000 -2.714) 4.354 11.579 ( 4.126 0.000 -4.701) 6.255 11.870 ( 18.568 0.000 -12.624) 22.453 12.562 ( 2.133 0.000 5.815) 6.194 12.600 ( 14.987 0.000 3.917) 15.491 13.602 ( -0.960 0.000 -4.015) 4.128 13.643 ( -4.822 0.000 -5.711) 7.474 14.013 ( -4.242 0.000 6.246) 7.550 14.201 ( -2.821 0.000 3.369) 4.394 14.581 ( -2.865 0.000 4.346) 5.205 14.700 ( -2.695 0.000 -1.011) 2.878 15.037 ( 0.270 0.000 -1.224) 1.254 15.155 ( 5.747 0.000 -6.947) 9.016 16.425 ( -5.024 0.000 -0.270) 5.031 16.564 ( 4.814 0.000 -2.937) 5.639 16.679 ( 2.068 0.000 3.144) 3.763 16.773 ( 0.970 0.000 -1.357) 1.668 17.815 ( -2.856 0.000 -2.433) 3.752 17.819 ( 2.038 0.000 -3.829) 4.338 18.233 ( 0.908 0.000 9.097) 9.142 18.479 ( -1.092 0.000 3.959) 4.107 18.756 ( -18.589 0.000 0.920) 18.611 18.822 ( 8.391 0.000 -2.752) 8.830 19.007 ( -10.970 0.000 1.226) 11.038 19.221 ( 1.733 0.000 -1.744) 2.459 28.240 ( 0.828 0.000 1.320) 1.558 28.326 ( -1.292 0.000 -1.343) 1.864 28.687 ( -1.568 0.000 -0.141) 1.575 28.692 ( 3.086 0.000 -0.003) 3.086 29.838 ( -5.372 0.000 5.285) 7.536 29.896 ( 3.140 0.000 2.012) 3.729 30.346 ( -4.784 0.000 3.432) 5.888 30.966 ( 5.854 0.000 -14.417) 15.561 31.216 ( 1.508 0.000 1.751) 2.311 31.271 ( 2.881 0.000 -1.703) 3.347 31.417 ( -22.866 0.000 2.248) 22.976 31.673 ( 0.969 0.000 -3.593) 3.722 31.874 ( 14.449 0.000 4.526) 15.141 32.205 ( -8.356 0.000 -4.834) 9.654 33.480 ( -4.449 0.000 4.546) 6.361 33.602 ( 16.650 0.000 0.705) 16.665 ======================= Grid point 155 (70/156) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 7.449 0.000 32.491) 33.334 2.159 ( 19.409 0.000 37.291) 42.039 2.689 ( 24.715 0.000 -24.569) 34.849 2.917 ( 25.688 0.000 41.665) 48.948 3.239 ( 12.397 0.000 -26.302) 29.077 3.972 ( 25.617 0.000 -6.939) 26.540 4.034 ( 15.233 0.000 -7.961) 17.188 4.426 ( 6.160 0.000 -5.311) 8.134 4.516 ( 4.384 0.000 17.922) 18.450 4.757 ( -0.035 0.000 -5.685) 5.685 4.963 ( 0.343 0.000 9.725) 9.731 5.110 ( -2.809 0.000 -11.937) 12.263 5.153 ( 8.618 0.000 -0.698) 8.646 5.464 ( -12.002 0.000 -18.895) 22.385 5.719 ( 4.438 0.000 16.964) 17.535 6.160 ( 1.898 0.000 -15.942) 16.055 6.346 ( -4.849 0.000 -12.748) 13.639 6.385 ( 12.208 0.000 3.187) 12.617 6.640 ( -0.370 0.000 6.585) 6.595 6.843 ( -9.629 0.000 -6.366) 11.543 7.099 ( -14.641 0.000 -0.325) 14.645 7.819 ( -7.816 0.000 -3.735) 8.663 7.980 ( 13.332 0.000 -6.877) 15.001 8.093 ( 3.775 0.000 0.629) 3.827 8.172 ( -0.247 0.000 0.778) 0.816 8.193 ( -1.825 0.000 1.458) 2.336 8.796 ( -10.865 0.000 5.591) 12.220 9.055 ( -1.568 0.000 -3.867) 4.172 9.653 ( -0.296 0.000 12.377) 12.381 9.935 ( -15.302 0.000 7.535) 17.057 10.021 ( 1.448 0.000 3.262) 3.569 10.328 ( -14.326 0.000 -5.550) 15.364 10.470 ( -2.004 0.000 -0.151) 2.010 10.655 ( -7.163 0.000 -4.314) 8.362 10.786 ( 5.903 0.000 8.014) 9.953 10.847 ( 12.732 0.000 5.424) 13.839 11.321 ( -12.614 0.000 -3.028) 12.972 11.460 ( 12.634 0.000 0.541) 12.645 11.587 ( 0.905 0.000 -0.742) 1.171 12.000 ( 11.549 0.000 -13.398) 17.689 12.687 ( 5.959 0.000 3.433) 6.877 12.904 ( 12.269 0.000 -10.094) 15.887 13.572 ( 1.298 0.000 -0.878) 1.568 13.635 ( 8.435 0.000 -5.713) 10.188 14.016 ( -3.084 0.000 7.773) 8.363 14.171 ( -4.779 0.000 2.922) 5.602 14.607 ( -1.001 0.000 6.304) 6.383 14.628 ( -3.751 0.000 -1.342) 3.984 15.011 ( -0.988 0.000 -2.289) 2.493 15.137 ( -0.439 0.000 -6.829) 6.843 16.382 ( 2.936 0.000 -1.457) 3.278 16.605 ( 2.553 0.000 -2.592) 3.638 16.716 ( 0.294 0.000 1.021) 1.062 16.761 ( -0.892 0.000 -1.083) 1.403 17.717 ( -5.230 0.000 -2.275) 5.703 17.803 ( -0.802 0.000 -1.410) 1.623 18.324 ( -1.367 0.000 7.751) 7.870 18.350 ( -17.164 0.000 5.248) 17.949 18.543 ( -0.208 0.000 0.183) 0.277 18.933 ( 3.598 0.000 0.467) 3.628 18.946 ( -5.652 0.000 6.234) 8.414 19.273 ( 6.575 0.000 -1.347) 6.711 28.271 ( 0.670 0.000 1.886) 2.002 28.288 ( -0.987 0.000 -1.477) 1.776 28.642 ( -2.943 0.000 -0.626) 3.009 28.730 ( 1.359 0.000 -0.211) 1.375 29.793 ( -5.077 0.000 3.867) 6.382 29.989 ( 4.260 0.000 2.660) 5.022 30.305 ( -5.483 0.000 6.168) 8.253 30.853 ( -1.198 0.000 -13.294) 13.348 30.980 ( -18.863 0.000 4.663) 19.431 31.347 ( 3.843 0.000 -2.321) 4.489 31.469 ( 13.122 0.000 5.812) 14.352 31.640 ( -0.159 0.000 -3.259) 3.263 32.066 ( 2.689 0.000 -6.669) 7.190 32.144 ( 7.100 0.000 6.969) 9.949 33.434 ( -4.199 0.000 3.223) 5.293 33.895 ( 17.751 0.000 -8.784) 19.806 ======================= Grid point 156 (71/156) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 8.207 0.000 -5.049) 9.635 2.629 ( -13.858 0.000 47.804) 49.773 2.844 ( 13.642 0.000 -2.701) 13.907 3.235 ( 20.558 0.000 -27.498) 34.334 3.865 ( 28.271 0.000 15.688) 32.332 4.232 ( 21.294 0.000 -10.482) 23.734 4.400 ( 37.433 0.000 -1.434) 37.460 4.708 ( 2.334 0.000 -10.820) 11.069 4.875 ( 16.257 0.000 3.485) 16.626 4.896 ( 15.285 0.000 20.443) 25.525 5.045 ( 18.477 0.000 -5.586) 19.303 5.120 ( 6.119 0.000 7.262) 9.496 5.169 ( 1.748 0.000 -4.231) 4.577 5.347 ( 11.354 0.000 5.492) 12.613 5.950 ( 0.182 0.000 16.597) 16.598 5.969 ( -1.713 0.000 -19.857) 19.931 6.155 ( 1.026 0.000 -15.589) 15.623 6.569 ( -12.750 0.000 2.913) 13.079 6.600 ( 9.119 0.000 1.074) 9.182 6.744 ( 3.124 0.000 6.542) 7.249 6.975 ( -1.251 0.000 -2.106) 2.449 7.575 ( -8.601 0.000 -11.931) 14.708 7.886 ( -18.781 0.000 -1.749) 18.863 8.046 ( 1.487 0.000 -2.161) 2.623 8.239 ( 1.940 0.000 -1.589) 2.508 8.264 ( 5.168 0.000 2.749) 5.854 8.641 ( -13.397 0.000 7.275) 15.245 8.993 ( 3.450 0.000 -7.862) 8.586 9.656 ( -4.602 0.000 4.033) 6.119 9.786 ( -14.116 0.000 -12.165) 18.634 9.855 ( -9.634 0.000 9.169) 13.300 10.034 ( -14.605 0.000 -1.248) 14.658 10.460 ( -1.702 0.000 -4.354) 4.675 10.704 ( 9.021 0.000 2.252) 9.298 10.843 ( -5.472 0.000 5.098) 7.479 11.050 ( 5.009 0.000 1.712) 5.294 11.134 ( -5.185 0.000 2.264) 5.657 11.631 ( 10.337 0.000 -4.129) 11.131 11.821 ( 17.640 0.000 7.075) 19.006 12.032 ( 7.257 0.000 -11.851) 13.897 12.820 ( 4.653 0.000 2.151) 5.126 12.867 ( -1.325 0.000 -8.892) 8.990 13.658 ( 5.560 0.000 6.431) 8.502 13.671 ( -0.098 0.000 -5.351) 5.352 14.070 ( -0.752 0.000 7.628) 7.665 14.097 ( -5.304 0.000 1.298) 5.460 14.543 ( -4.546 0.000 -0.555) 4.580 14.667 ( -1.007 0.000 7.748) 7.813 14.964 ( -0.832 0.000 -2.570) 2.701 15.007 ( -4.327 0.000 -7.069) 8.288 16.498 ( 11.992 0.000 -4.187) 12.702 16.590 ( -0.761 0.000 -2.884) 2.983 16.727 ( -1.083 0.000 -1.526) 1.871 16.731 ( 1.327 0.000 -0.410) 1.389 17.584 ( -7.317 0.000 -1.343) 7.439 17.773 ( -2.050 0.000 1.336) 2.447 18.184 ( -7.723 0.000 3.540) 8.496 18.342 ( -3.728 0.000 4.171) 5.594 18.554 ( 1.073 0.000 -0.886) 1.392 18.908 ( -6.645 0.000 7.670) 10.148 18.935 ( -3.076 0.000 0.316) 3.093 19.398 ( 6.444 0.000 -0.288) 6.450 28.266 ( 0.282 0.000 -1.454) 1.481 28.305 ( 0.683 0.000 2.268) 2.368 28.572 ( -3.749 0.000 -1.090) 3.905 28.734 ( -0.363 0.000 -0.735) 0.819 29.745 ( -4.525 0.000 3.403) 5.662 30.099 ( 4.894 0.000 2.245) 5.385 30.280 ( -5.080 0.000 6.540) 8.281 30.676 ( -3.609 0.000 -10.563) 11.162 30.773 ( -12.564 0.000 7.427) 14.595 31.158 ( -15.181 0.000 -6.917) 16.683 31.751 ( 14.859 0.000 -7.526) 16.656 31.810 ( 17.471 0.000 4.258) 17.983 32.148 ( 8.461 0.000 0.782) 8.497 32.285 ( 0.495 0.000 7.436) 7.453 33.451 ( 2.262 0.000 5.171) 5.644 34.047 ( 12.580 0.000 -11.730) 17.200 ======================= Grid point 157 (72/156) ======================= q-point: ( 0.27 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 0.383 0.000 -25.257) 25.260 2.782 ( -23.599 0.000 45.622) 51.364 3.248 ( 16.027 0.000 17.740) 23.908 3.379 ( 27.588 0.000 -26.334) 38.140 4.154 ( -0.500 0.000 11.397) 11.408 4.360 ( -16.083 0.000 -5.926) 17.140 4.480 ( 7.480 0.000 2.057) 7.758 5.014 ( 7.117 0.000 -8.996) 11.471 5.173 ( 27.130 0.000 3.238) 27.322 5.273 ( 5.374 0.000 1.655) 5.623 5.385 ( 8.950 0.000 5.828) 10.680 5.440 ( 25.671 0.000 15.255) 29.861 5.591 ( 27.891 0.000 -7.615) 28.912 5.727 ( 17.864 0.000 11.777) 21.396 5.808 ( 11.062 0.000 -11.949) 16.283 6.089 ( 8.883 0.000 -8.064) 11.997 6.090 ( 1.851 0.000 12.650) 12.785 6.507 ( 5.668 0.000 -3.876) 6.867 6.692 ( 2.191 0.000 -2.705) 3.481 6.814 ( -4.850 0.000 3.590) 6.034 6.996 ( 5.354 0.000 0.406) 5.369 7.406 ( 7.696 0.000 -9.016) 11.854 7.550 ( -12.826 0.000 0.169) 12.827 8.055 ( 1.378 0.000 -1.175) 1.811 8.194 ( -4.134 0.000 -1.316) 4.339 8.336 ( 0.391 0.000 -1.199) 1.261 8.485 ( -11.402 0.000 5.482) 12.651 9.014 ( 8.201 0.000 -9.113) 12.260 9.454 ( -9.606 0.000 -5.885) 11.265 9.605 ( -6.352 0.000 3.545) 7.274 9.738 ( -9.930 0.000 3.134) 10.413 9.748 ( -12.816 0.000 -6.032) 14.164 10.359 ( 2.005 0.000 -12.111) 12.276 10.752 ( -6.139 0.000 -1.310) 6.277 10.856 ( 4.629 0.000 2.114) 5.088 11.112 ( 1.543 0.000 0.698) 1.694 11.195 ( 1.717 0.000 11.659) 11.784 11.784 ( 9.753 0.000 -4.005) 10.543 11.996 ( 0.499 0.000 -8.573) 8.588 12.150 ( 10.374 0.000 4.378) 11.260 12.743 ( -1.849 0.000 -6.952) 7.194 12.877 ( -0.503 0.000 1.353) 1.443 13.519 ( -11.103 0.000 -1.417) 11.193 13.888 ( 7.645 0.000 11.360) 13.693 14.024 ( -4.262 0.000 0.558) 4.299 14.117 ( -1.127 0.000 2.958) 3.166 14.464 ( -4.733 0.000 1.876) 5.091 14.726 ( -1.410 0.000 6.443) 6.595 14.886 ( -0.035 0.000 -6.298) 6.298 14.943 ( 0.851 0.000 -1.250) 1.512 16.547 ( -0.478 0.000 -1.155) 1.250 16.672 ( 11.841 0.000 -4.453) 12.650 16.689 ( -0.425 0.000 -3.149) 3.178 16.760 ( 3.553 0.000 -2.148) 4.152 17.439 ( -8.041 0.000 0.799) 8.081 17.760 ( -2.229 0.000 2.945) 3.694 18.111 ( -4.088 0.000 1.477) 4.347 18.285 ( -5.482 0.000 1.112) 5.593 18.560 ( 1.736 0.000 -2.331) 2.907 18.863 ( -4.010 0.000 -0.819) 4.093 18.879 ( -6.829 0.000 9.202) 11.459 19.453 ( 1.327 0.000 -2.455) 2.791 28.268 ( 1.795 0.000 -1.574) 2.387 28.344 ( 0.926 0.000 2.327) 2.504 28.487 ( -4.047 0.000 -1.694) 4.387 28.703 ( -1.879 0.000 -1.221) 2.241 29.710 ( -3.563 0.000 3.854) 5.248 30.198 ( 4.434 0.000 0.059) 4.435 30.263 ( -4.541 0.000 6.352) 7.809 30.517 ( -3.344 0.000 -6.850) 7.623 30.662 ( -9.736 0.000 7.846) 12.504 30.824 ( -11.539 0.000 -7.056) 13.526 31.844 ( 5.352 0.000 -9.174) 10.621 32.126 ( 10.457 0.000 4.177) 11.260 32.347 ( 1.337 0.000 4.283) 4.487 32.377 ( 14.008 0.000 2.725) 14.271 33.620 ( 6.350 0.000 9.433) 11.371 34.122 ( 10.590 0.000 -11.771) 15.833 ======================= Grid point 158 (73/156) ======================= q-point: ( 0.36 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 10.966 0.000 -4.968) 12.039 2.790 ( -27.478 0.000 41.562) 49.824 3.634 ( 29.977 0.000 -23.296) 37.965 3.655 ( 7.370 0.000 12.987) 14.933 4.003 ( -7.652 0.000 -9.139) 11.919 4.263 ( -2.437 0.000 16.230) 16.411 4.728 ( 0.229 0.000 19.516) 19.518 5.086 ( 9.507 0.000 -3.910) 10.279 5.189 ( -10.021 0.000 -5.370) 11.369 5.468 ( -4.767 0.000 4.259) 6.393 5.479 ( 1.074 0.000 -8.031) 8.102 5.490 ( 5.750 0.000 4.254) 7.153 5.916 ( 4.815 0.000 8.837) 10.064 6.011 ( 9.803 0.000 4.996) 11.003 6.031 ( -1.995 0.000 4.403) 4.834 6.305 ( 1.639 0.000 0.658) 1.766 6.366 ( 17.620 0.000 -13.586) 22.249 6.552 ( -7.775 0.000 1.021) 7.842 6.782 ( 36.810 0.000 -2.683) 36.908 7.040 ( 28.361 0.000 5.871) 28.963 7.062 ( 4.894 0.000 -7.037) 8.571 7.523 ( 5.484 0.000 -4.640) 7.183 7.605 ( 11.302 0.000 7.007) 13.298 8.051 ( 1.353 0.000 -2.936) 3.233 8.112 ( -3.854 0.000 1.900) 4.297 8.225 ( -6.842 0.000 -7.989) 10.518 8.394 ( -4.302 0.000 5.219) 6.763 9.055 ( 7.208 0.000 -10.441) 12.687 9.354 ( -3.080 0.000 5.967) 6.715 9.485 ( -4.966 0.000 -10.062) 11.221 9.495 ( -10.281 0.000 3.778) 10.953 9.596 ( -8.505 0.000 2.032) 8.744 10.300 ( 7.042 0.000 -13.932) 15.611 10.605 ( -6.183 0.000 -5.589) 8.335 10.939 ( 5.032 0.000 -1.317) 5.202 11.128 ( 0.602 0.000 -1.693) 1.797 11.365 ( -0.746 0.000 15.907) 15.924 11.864 ( -8.445 0.000 -2.091) 8.700 11.872 ( 6.413 0.000 -5.741) 8.608 12.264 ( 1.188 0.000 -1.518) 1.928 12.669 ( 1.330 0.000 -6.408) 6.545 12.838 ( -4.732 0.000 0.887) 4.814 13.321 ( -9.201 0.000 1.241) 9.284 13.954 ( -4.888 0.000 2.275) 5.391 14.021 ( -1.694 0.000 -3.906) 4.258 14.152 ( 1.322 0.000 8.130) 8.237 14.423 ( -3.883 0.000 4.495) 5.940 14.741 ( 1.283 0.000 -2.712) 3.001 14.880 ( 1.310 0.000 1.410) 1.925 14.958 ( 1.519 0.000 -0.623) 1.642 16.572 ( 1.839 0.000 2.493) 3.098 16.657 ( 1.494 0.000 -2.705) 3.090 16.783 ( 3.165 0.000 -1.236) 3.397 16.836 ( 9.901 0.000 -5.351) 11.255 17.341 ( -5.301 0.000 4.525) 6.970 17.747 ( -2.684 0.000 2.913) 3.961 18.061 ( -2.288 0.000 -0.305) 2.308 18.184 ( -5.607 0.000 -0.822) 5.667 18.572 ( 2.410 0.000 -2.207) 3.268 18.788 ( -2.807 0.000 -1.595) 3.228 18.856 ( -7.223 0.000 9.752) 12.135 19.415 ( -0.052 0.000 -5.366) 5.366 28.293 ( 2.873 0.000 -1.899) 3.444 28.379 ( -0.727 0.000 -0.227) 0.762 28.405 ( -1.747 0.000 0.308) 1.774 28.647 ( -2.511 0.000 -1.456) 2.903 29.702 ( -2.719 0.000 5.004) 5.695 30.243 ( 2.574 0.000 -3.792) 4.583 30.257 ( -3.645 0.000 6.451) 7.409 30.420 ( -1.062 0.000 -3.342) 3.506 30.576 ( -8.589 0.000 6.197) 10.591 30.637 ( -3.534 0.000 -2.758) 4.483 31.815 ( 2.152 0.000 -5.392) 5.806 32.190 ( -5.899 0.000 4.323) 7.313 32.495 ( 9.959 0.000 0.111) 9.959 32.638 ( 12.572 0.000 -0.692) 12.591 33.809 ( 1.339 0.000 10.545) 10.629 34.189 ( 10.317 0.000 -10.224) 14.525 ======================= Grid point 159 (74/156) ======================= q-point: ( 0.45 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 21.427 0.000 14.799) 26.041 2.697 ( -29.577 0.000 36.189) 46.738 3.704 ( -5.039 0.000 7.473) 9.014 3.921 ( 25.538 0.000 -17.135) 30.754 3.941 ( -3.830 0.000 -5.465) 6.673 4.436 ( 1.032 0.000 18.580) 18.609 4.725 ( -6.808 0.000 8.777) 11.108 4.818 ( -15.817 0.000 -15.972) 22.479 5.360 ( 14.899 0.000 6.256) 16.159 5.476 ( -0.962 0.000 8.134) 8.191 5.539 ( -6.458 0.000 5.690) 8.607 5.651 ( 14.825 0.000 9.691) 17.711 5.931 ( -10.809 0.000 -17.864) 20.880 6.014 ( -4.990 0.000 7.449) 8.966 6.058 ( -0.864 0.000 7.769) 7.816 6.175 ( -1.744 0.000 3.441) 3.858 6.410 ( 8.688 0.000 -13.622) 16.157 6.683 ( 3.923 0.000 8.906) 9.732 7.028 ( 3.957 0.000 -3.557) 5.320 7.410 ( -2.485 0.000 -13.253) 13.484 7.491 ( 34.166 0.000 -6.514) 34.782 7.595 ( 13.231 0.000 6.368) 14.684 7.780 ( -2.291 0.000 5.397) 5.863 7.956 ( -6.207 0.000 -11.207) 12.811 8.081 ( 0.944 0.000 2.242) 2.433 8.135 ( 1.163 0.000 3.370) 3.565 8.408 ( -2.138 0.000 6.938) 7.260 9.025 ( 2.851 0.000 -11.600) 11.945 9.314 ( -14.718 0.000 5.175) 15.601 9.343 ( -0.174 0.000 -0.562) 0.588 9.469 ( 6.196 0.000 0.359) 6.207 9.518 ( -2.579 0.000 2.883) 3.868 10.299 ( 8.411 0.000 -13.064) 15.537 10.422 ( -4.764 0.000 -9.216) 10.375 11.030 ( 9.502 0.000 -5.759) 11.111 11.083 ( -1.837 0.000 -4.951) 5.281 11.491 ( -2.931 0.000 15.377) 15.654 11.675 ( -14.353 0.000 5.623) 15.416 11.916 ( 5.218 0.000 -5.109) 7.303 12.210 ( -0.180 0.000 -6.671) 6.674 12.657 ( 4.882 0.000 -5.332) 7.229 12.740 ( -6.214 0.000 -0.584) 6.241 13.251 ( -2.050 0.000 4.401) 4.855 13.869 ( -6.229 0.000 -8.619) 10.634 13.926 ( -1.546 0.000 4.327) 4.595 14.226 ( 0.068 0.000 3.941) 3.942 14.388 ( -5.417 0.000 2.580) 6.000 14.728 ( 2.451 0.000 -5.802) 6.298 14.924 ( 0.338 0.000 3.184) 3.202 14.981 ( 1.619 0.000 -0.009) 1.619 16.612 ( 0.734 0.000 1.830) 1.972 16.714 ( 2.847 0.000 2.510) 3.795 16.797 ( 0.389 0.000 -1.995) 2.032 16.941 ( 7.155 0.000 -4.496) 8.450 17.370 ( 0.825 0.000 8.577) 8.616 17.740 ( -0.645 0.000 2.300) 2.389 18.023 ( -0.797 0.000 -1.631) 1.815 18.081 ( -3.696 0.000 -2.316) 4.362 18.595 ( 1.909 0.000 -1.011) 2.160 18.730 ( -1.483 0.000 -2.199) 2.653 18.826 ( -7.684 0.000 9.490) 12.210 19.362 ( 1.678 0.000 -6.520) 6.732 28.309 ( -2.752 0.000 -2.020) 3.414 28.322 ( 2.594 0.000 -2.240) 3.427 28.442 ( 1.471 0.000 2.215) 2.659 28.593 ( -1.471 0.000 -1.593) 2.168 29.718 ( -2.515 0.000 6.540) 7.007 30.211 ( -0.038 0.000 -6.231) 6.231 30.272 ( -2.441 0.000 6.304) 6.760 30.422 ( 3.727 0.000 -0.401) 3.748 30.487 ( -7.150 0.000 3.833) 8.113 30.614 ( 2.312 0.000 -0.670) 2.407 31.846 ( 5.412 0.000 -0.843) 5.477 32.091 ( -7.532 0.000 0.971) 7.595 32.621 ( 3.505 0.000 -0.253) 3.514 32.778 ( 4.840 0.000 -3.030) 5.711 33.867 ( -6.402 0.000 8.682) 10.787 34.275 ( 10.182 0.000 -7.848) 12.856 ======================= Grid point 160 (75/156) ======================= q-point: (-0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -31.139 0.000 28.211) 42.018 3.033 ( 17.057 0.000 19.741) 26.089 3.474 ( -24.057 0.000 -1.557) 24.107 3.966 ( 13.548 0.000 9.617) 16.614 4.136 ( 11.575 0.000 -10.483) 15.617 4.397 ( -8.740 0.000 -13.449) 16.039 4.659 ( 2.224 0.000 12.225) 12.426 4.877 ( 7.888 0.000 11.556) 13.992 5.275 ( -19.634 0.000 -8.739) 21.491 5.418 ( -1.544 0.000 -4.521) 4.777 5.631 ( -6.406 0.000 -2.181) 6.767 5.765 ( 9.880 0.000 14.502) 17.548 5.922 ( 0.618 0.000 6.370) 6.400 6.041 ( -7.506 0.000 7.105) 10.335 6.212 ( 13.677 0.000 15.880) 20.958 6.250 ( 3.356 0.000 -1.867) 3.841 6.440 ( 10.933 0.000 -9.688) 14.608 6.675 ( -6.398 0.000 -7.483) 9.845 7.082 ( 4.888 0.000 -2.275) 5.392 7.179 ( -12.686 0.000 -11.968) 17.440 7.358 ( -19.566 0.000 -3.029) 19.799 7.608 ( -16.114 0.000 2.045) 16.244 7.809 ( -0.724 0.000 -4.135) 4.198 8.035 ( 4.422 0.000 2.810) 5.240 8.093 ( -8.201 0.000 4.110) 9.173 8.138 ( 4.755 0.000 -1.592) 5.014 8.478 ( 1.626 0.000 7.936) 8.101 8.935 ( 1.090 0.000 -11.483) 11.534 9.186 ( -1.198 0.000 1.831) 2.188 9.372 ( 1.563 0.000 1.382) 2.086 9.534 ( -0.429 0.000 3.237) 3.266 9.592 ( 6.118 0.000 0.823) 6.173 10.264 ( -0.587 0.000 -10.893) 10.909 10.301 ( 5.452 0.000 -9.954) 11.349 10.977 ( -2.065 0.000 -6.234) 6.567 11.141 ( 10.696 0.000 -7.810) 13.244 11.483 ( -15.404 0.000 9.827) 18.271 11.663 ( 6.803 0.000 11.958) 13.758 11.920 ( -0.112 0.000 -4.008) 4.009 12.181 ( 5.010 0.000 -6.423) 8.146 12.611 ( -5.352 0.000 -3.704) 6.509 12.733 ( 7.440 0.000 -2.040) 7.715 13.323 ( 2.367 0.000 7.479) 7.845 13.651 ( -6.884 0.000 -8.224) 10.725 14.000 ( 3.672 0.000 5.938) 6.981 14.251 ( 0.403 0.000 -5.379) 5.394 14.304 ( -5.448 0.000 7.545) 9.306 14.708 ( 2.008 0.000 -4.934) 5.327 14.955 ( 0.220 0.000 1.624) 1.638 15.015 ( 1.726 0.000 0.587) 1.823 16.655 ( 0.833 0.000 3.025) 3.137 16.747 ( -3.009 0.000 -2.981) 4.235 16.752 ( -1.464 0.000 1.905) 2.403 16.984 ( 3.312 0.000 -5.189) 6.155 17.529 ( 4.568 0.000 10.084) 11.071 17.793 ( 4.180 0.000 2.086) 4.671 17.996 ( 0.169 0.000 -2.379) 2.385 18.014 ( -0.152 0.000 -3.605) 3.609 18.613 ( 0.002 0.000 1.041) 1.041 18.685 ( -0.464 0.000 -2.983) 3.018 18.789 ( -7.316 0.000 9.009) 11.605 19.339 ( 3.245 0.000 -6.371) 7.150 28.250 ( -1.914 0.000 -1.151) 2.234 28.333 ( 1.184 0.000 -1.826) 2.176 28.494 ( 1.909 0.000 1.912) 2.702 28.565 ( 0.601 0.000 -2.371) 2.446 29.748 ( -2.865 0.000 7.880) 8.384 30.115 ( -2.530 0.000 -6.834) 7.287 30.285 ( -3.644 0.000 4.565) 5.841 30.431 ( -2.192 0.000 3.480) 4.113 30.543 ( 8.828 0.000 1.620) 8.975 30.688 ( 7.186 0.000 -2.104) 7.487 31.958 ( -6.302 0.000 -2.148) 6.657 31.985 ( 8.691 0.000 2.391) 9.014 32.604 ( -5.555 0.000 0.266) 5.562 32.742 ( -4.728 0.000 -3.576) 5.928 33.782 ( -11.877 0.000 6.979) 13.776 34.378 ( 9.320 0.000 -5.961) 11.063 ======================= Grid point 161 (76/156) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -32.795 0.000 16.910) 36.898 2.755 ( -37.233 0.000 1.918) 37.283 3.726 ( 20.854 0.000 15.736) 26.124 3.957 ( -7.586 0.000 -14.374) 16.252 4.363 ( 2.079 0.000 -5.958) 6.310 4.423 ( 20.040 0.000 12.579) 23.661 4.565 ( -17.139 0.000 5.462) 17.988 5.009 ( -6.993 0.000 -0.187) 6.995 5.097 ( 0.942 0.000 1.209) 1.533 5.386 ( 5.485 0.000 4.988) 7.414 5.550 ( -4.531 0.000 3.720) 5.863 5.863 ( -3.729 0.000 5.635) 6.758 5.922 ( -17.274 0.000 5.249) 18.054 6.154 ( 8.555 0.000 8.501) 12.060 6.176 ( -1.255 0.000 -11.307) 11.376 6.305 ( -6.150 0.000 -5.112) 7.997 6.368 ( -18.579 0.000 -5.835) 19.474 6.626 ( -24.926 0.000 -8.644) 26.382 6.761 ( 11.173 0.000 11.683) 16.165 7.030 ( -17.024 0.000 0.535) 17.032 7.217 ( 5.480 0.000 -10.765) 12.080 7.287 ( -11.830 0.000 -4.263) 12.575 7.539 ( -12.457 0.000 6.580) 14.088 8.060 ( -2.256 0.000 0.888) 2.424 8.094 ( 3.006 0.000 -0.586) 3.063 8.142 ( -1.133 0.000 -3.712) 3.881 8.613 ( 3.032 0.000 6.589) 7.254 8.813 ( -1.148 0.000 -11.304) 11.362 9.254 ( 6.228 0.000 -2.240) 6.618 9.409 ( 0.197 0.000 3.684) 3.690 9.551 ( -1.806 0.000 3.753) 4.165 9.690 ( 3.377 0.000 0.077) 3.378 10.162 ( 2.027 0.000 -11.379) 11.558 10.297 ( 3.810 0.000 -4.235) 5.696 10.922 ( 2.791 0.000 -4.110) 4.968 11.229 ( 5.585 0.000 -5.608) 7.915 11.370 ( -7.447 0.000 10.193) 12.623 11.822 ( -6.745 0.000 -3.041) 7.399 11.970 ( 13.943 0.000 7.455) 15.811 12.185 ( 0.076 0.000 -5.574) 5.574 12.492 ( -2.114 0.000 -4.601) 5.064 12.845 ( 5.315 0.000 0.301) 5.324 13.477 ( 4.870 0.000 8.442) 9.746 13.498 ( -1.031 0.000 -4.849) 4.957 14.142 ( -5.478 0.000 -1.540) 5.690 14.175 ( 7.615 0.000 7.176) 10.463 14.375 ( 3.721 0.000 4.383) 5.749 14.706 ( 2.688 0.000 -2.769) 3.859 14.972 ( 1.302 0.000 -0.686) 1.472 15.046 ( 1.246 0.000 -0.215) 1.264 16.640 ( -4.196 0.000 -3.874) 5.711 16.691 ( -0.611 0.000 2.099) 2.186 16.712 ( -3.269 0.000 0.083) 3.270 16.943 ( -0.749 0.000 -7.265) 7.303 17.713 ( 3.841 0.000 9.412) 10.166 17.902 ( 7.249 0.000 -6.392) 9.665 17.997 ( 2.573 0.000 -4.374) 5.075 18.001 ( 1.766 0.000 4.921) 5.229 18.622 ( -1.957 0.000 4.468) 4.877 18.651 ( 1.004 0.000 -3.956) 4.081 18.768 ( -5.881 0.000 9.753) 11.389 19.331 ( 2.954 0.000 -5.883) 6.583 28.214 ( -1.237 0.000 -0.434) 1.311 28.336 ( 0.779 0.000 -0.392) 0.872 28.551 ( 1.254 0.000 -3.821) 4.022 28.552 ( 2.439 0.000 1.789) 3.025 29.782 ( -3.159 0.000 8.570) 9.134 29.992 ( -3.102 0.000 -5.976) 6.734 30.243 ( -4.564 0.000 3.192) 5.570 30.487 ( 2.765 0.000 4.233) 5.056 30.752 ( 11.280 0.000 2.117) 11.477 30.807 ( 11.033 0.000 -6.206) 12.659 31.829 ( -4.195 0.000 -4.206) 5.941 32.179 ( 8.329 0.000 3.421) 9.004 32.434 ( -14.254 0.000 1.800) 14.367 32.553 ( -11.820 0.000 -2.283) 12.038 33.623 ( -13.269 0.000 6.933) 14.971 34.466 ( 7.473 0.000 -6.447) 9.869 ======================= Grid point 162 (77/156) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -32.813 0.000 5.845) 33.330 2.119 ( -39.249 0.000 9.006) 40.269 3.574 ( -28.481 0.000 -3.177) 28.658 4.163 ( 11.055 0.000 7.513) 13.366 4.203 ( -1.165 0.000 -2.965) 3.186 4.536 ( -9.009 0.000 16.165) 18.506 4.688 ( -21.667 0.000 -13.000) 25.268 4.735 ( -0.592 0.000 -1.585) 1.691 4.969 ( -7.297 0.000 -1.755) 7.506 5.421 ( -19.521 0.000 4.609) 20.057 5.548 ( -18.936 0.000 -1.551) 18.999 5.561 ( -14.133 0.000 5.636) 15.215 5.920 ( -25.785 0.000 2.401) 25.897 5.925 ( 9.359 0.000 3.501) 9.993 5.960 ( -13.142 0.000 4.956) 14.046 6.134 ( 5.196 0.000 -13.420) 14.390 6.266 ( -3.686 0.000 -6.034) 7.071 6.310 ( -6.879 0.000 10.248) 12.343 6.561 ( -15.745 0.000 -5.105) 16.552 6.916 ( 1.930 0.000 2.074) 2.833 7.253 ( 10.546 0.000 -10.414) 14.821 7.268 ( 7.276 0.000 -2.411) 7.665 7.704 ( 13.269 0.000 7.961) 15.474 8.003 ( 3.560 0.000 -8.735) 9.432 8.093 ( -1.959 0.000 0.091) 1.961 8.111 ( -0.328 0.000 -2.117) 2.142 8.676 ( -1.518 0.000 -7.543) 7.694 8.680 ( -1.149 0.000 1.795) 2.131 9.317 ( 3.064 0.000 -2.468) 3.934 9.487 ( 2.376 0.000 7.462) 7.831 9.574 ( -0.574 0.000 6.808) 6.832 9.675 ( -3.760 0.000 -1.781) 4.161 10.088 ( 3.799 0.000 -11.225) 11.850 10.386 ( 6.200 0.000 3.807) 7.276 10.985 ( 7.235 0.000 -1.927) 7.487 11.215 ( -2.909 0.000 1.358) 3.210 11.417 ( 1.840 0.000 3.466) 3.924 11.616 ( -14.294 0.000 -0.035) 14.294 12.027 ( -7.768 0.000 -9.439) 12.224 12.247 ( 9.446 0.000 2.327) 9.728 12.447 ( -0.712 0.000 -0.417) 0.825 12.909 ( 1.537 0.000 -0.435) 1.597 13.530 ( 7.285 0.000 -0.867) 7.336 13.661 ( 5.711 0.000 7.861) 9.716 14.037 ( -6.318 0.000 1.587) 6.515 14.389 ( 6.916 0.000 5.252) 8.685 14.513 ( 6.652 0.000 3.444) 7.491 14.752 ( 5.160 0.000 -1.868) 5.488 14.995 ( 3.867 0.000 -3.090) 4.950 15.051 ( 0.524 0.000 -1.696) 1.775 16.538 ( -2.563 0.000 -3.241) 4.132 16.619 ( -4.118 0.000 -1.972) 4.566 16.716 ( 0.755 0.000 0.343) 0.829 16.796 ( -5.279 0.000 -9.546) 10.908 17.866 ( 2.851 0.000 8.374) 8.846 17.887 ( 3.833 0.000 -10.592) 11.264 17.987 ( 1.043 0.000 -4.376) 4.498 18.175 ( 7.842 0.000 6.090) 9.929 18.644 ( 3.555 0.000 -4.766) 5.946 18.653 ( -1.510 0.000 7.685) 7.832 18.814 ( -3.082 0.000 15.897) 16.193 19.310 ( 1.224 0.000 -5.211) 5.353 28.196 ( -0.477 0.000 0.009) 0.477 28.356 ( 0.914 0.000 1.208) 1.515 28.527 ( 1.213 0.000 -4.336) 4.503 28.617 ( 2.538 0.000 1.677) 3.042 29.818 ( -3.163 0.000 8.694) 9.252 29.889 ( -2.095 0.000 -4.151) 4.650 30.223 ( -2.147 0.000 5.398) 5.809 30.594 ( 4.361 0.000 3.290) 5.463 30.894 ( 9.285 0.000 -7.847) 12.157 31.004 ( 14.053 0.000 -2.633) 14.298 31.715 ( -3.540 0.000 -5.445) 6.495 32.168 ( -18.373 0.000 5.864) 19.286 32.201 ( -12.754 0.000 -0.073) 12.754 32.421 ( 1.759 0.000 2.563) 3.108 33.489 ( -9.936 0.000 7.996) 12.754 34.478 ( 3.768 0.000 -12.340) 12.902 ======================= Grid point 163 (78/156) ======================= q-point: (-0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -28.954 0.000 4.577) 29.313 1.595 ( -35.981 0.000 21.292) 41.809 2.877 ( -56.745 0.000 20.011) 60.170 4.089 ( -18.466 0.000 -20.437) 27.544 4.112 ( -23.896 0.000 2.373) 24.014 4.285 ( 3.382 0.000 6.115) 6.988 4.365 ( -43.025 0.000 -8.233) 43.806 4.533 ( -8.995 0.000 14.413) 16.989 4.688 ( 1.753 0.000 -9.804) 9.960 5.066 ( -26.250 0.000 2.649) 26.383 5.253 ( -9.423 0.000 -6.556) 11.480 5.327 ( -9.231 0.000 5.624) 10.809 5.431 ( -23.377 0.000 1.512) 23.426 5.769 ( -17.679 0.000 0.535) 17.687 6.046 ( 3.951 0.000 -13.219) 13.797 6.086 ( 7.189 0.000 -11.073) 13.202 6.370 ( 9.235 0.000 3.448) 9.858 6.476 ( 17.742 0.000 10.777) 20.758 6.523 ( 5.795 0.000 -0.565) 5.823 7.022 ( 8.592 0.000 0.352) 8.599 7.266 ( -2.041 0.000 -10.471) 10.668 7.356 ( 11.799 0.000 -7.699) 14.089 7.976 ( 5.632 0.000 0.717) 5.677 7.983 ( -4.184 0.000 -0.327) 4.197 8.060 ( -1.352 0.000 4.219) 4.431 8.144 ( 16.837 0.000 -9.619) 19.391 8.610 ( -6.554 0.000 0.079) 6.555 8.658 ( 4.133 0.000 2.112) 4.642 9.285 ( -5.028 0.000 0.338) 5.039 9.582 ( -5.289 0.000 2.774) 5.973 9.685 ( 8.041 0.000 15.084) 17.093 9.727 ( 9.251 0.000 7.808) 12.105 10.096 ( 8.053 0.000 -5.371) 9.680 10.555 ( 5.703 0.000 6.887) 8.942 11.101 ( 6.565 0.000 -4.066) 7.722 11.139 ( -11.189 0.000 5.968) 12.681 11.325 ( -19.880 0.000 5.717) 20.686 11.494 ( 7.756 0.000 -4.041) 8.746 11.768 ( -7.169 0.000 -10.951) 13.089 12.317 ( -0.618 0.000 -4.736) 4.777 12.446 ( -1.313 0.000 3.843) 4.061 12.864 ( -5.001 0.000 -4.160) 6.505 13.664 ( 6.208 0.000 -1.591) 6.409 13.834 ( 3.941 0.000 6.728) 7.797 13.969 ( -4.132 0.000 4.921) 6.426 14.459 ( -0.241 0.000 -4.977) 4.983 14.661 ( 5.040 0.000 3.070) 5.901 14.774 ( -1.067 0.000 -7.123) 7.202 15.035 ( 0.629 0.000 -2.517) 2.594 15.056 ( 7.927 0.000 -6.085) 9.993 16.490 ( -0.747 0.000 0.881) 1.155 16.539 ( -1.052 0.000 -3.471) 3.627 16.604 ( -4.865 0.000 -5.464) 7.316 16.736 ( 1.935 0.000 -1.008) 2.182 17.845 ( 3.467 0.000 -8.950) 9.598 17.934 ( -1.194 0.000 -3.254) 3.466 18.002 ( 2.250 0.000 7.271) 7.611 18.346 ( 5.729 0.000 2.063) 6.089 18.673 ( 5.424 0.000 -5.108) 7.451 18.730 ( 0.673 0.000 7.407) 7.438 19.049 ( 6.250 0.000 21.696) 22.579 19.268 ( -0.154 0.000 -4.019) 4.022 28.197 ( 0.320 0.000 0.368) 0.488 28.375 ( -0.485 0.000 0.461) 0.669 28.531 ( 3.298 0.000 -0.924) 3.425 28.672 ( 1.710 0.000 1.221) 2.101 29.835 ( -0.305 0.000 -1.827) 1.853 29.852 ( -3.453 0.000 8.283) 8.974 30.301 ( 2.373 0.000 8.165) 8.503 30.731 ( 8.244 0.000 5.289) 9.795 30.951 ( 8.980 0.000 -11.592) 14.664 31.188 ( 10.436 0.000 -4.913) 11.535 31.534 ( -10.989 0.000 -4.609) 11.916 31.936 ( -14.104 0.000 0.126) 14.105 32.000 ( -9.128 0.000 10.828) 14.162 32.463 ( -1.970 0.000 1.870) 2.716 33.452 ( -4.286 0.000 8.209) 9.260 34.260 ( -8.033 0.000 -26.102) 27.310 ======================= Grid point 164 (79/156) ======================= q-point: (-0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -20.848 0.000 22.676) 30.803 1.362 ( -22.407 0.000 35.290) 41.803 2.221 ( -47.167 0.000 45.492) 65.530 3.381 ( -44.818 0.000 -7.982) 45.523 3.642 ( -6.748 0.000 -21.736) 22.759 3.720 ( -20.090 0.000 0.952) 20.112 4.295 ( -8.839 0.000 8.751) 12.438 4.457 ( -24.182 0.000 -2.011) 24.266 4.659 ( 5.074 0.000 -13.356) 14.287 4.727 ( 0.028 0.000 13.278) 13.278 5.082 ( -1.649 0.000 -7.000) 7.192 5.202 ( -9.311 0.000 -1.726) 9.470 5.292 ( -3.464 0.000 11.163) 11.688 5.488 ( -9.604 0.000 -5.556) 11.095 6.017 ( 7.223 0.000 -8.902) 11.464 6.020 ( 4.184 0.000 -18.278) 18.751 6.544 ( -2.306 0.000 -4.760) 5.289 6.563 ( 4.812 0.000 4.685) 6.716 6.793 ( 10.674 0.000 -14.642) 18.120 7.008 ( -6.772 0.000 -10.190) 12.235 7.283 ( 13.341 0.000 10.797) 17.163 7.509 ( 14.497 0.000 -6.381) 15.839 7.907 ( -6.343 0.000 -1.069) 6.433 7.932 ( -1.819 0.000 4.801) 5.134 8.156 ( 0.552 0.000 3.490) 3.533 8.295 ( 3.548 0.000 -7.842) 8.607 8.635 ( 10.917 0.000 5.964) 12.440 8.870 ( 10.010 0.000 10.995) 14.869 9.210 ( -4.592 0.000 6.226) 7.737 9.584 ( -0.186 0.000 8.005) 8.007 10.044 ( 16.966 0.000 5.919) 17.969 10.142 ( 22.933 0.000 12.064) 25.912 10.263 ( 10.987 0.000 3.213) 11.447 10.781 ( 10.870 0.000 8.786) 13.977 10.843 ( -23.612 0.000 -3.395) 23.855 10.957 ( -13.341 0.000 10.555) 17.012 11.287 ( 0.633 0.000 6.657) 6.687 11.592 ( 10.774 0.000 -11.646) 15.865 11.593 ( 0.652 0.000 -9.320) 9.343 12.082 ( -15.198 0.000 -15.700) 21.851 12.484 ( -0.683 0.000 6.577) 6.612 12.629 ( -15.434 0.000 0.303) 15.437 13.668 ( -0.845 0.000 -4.054) 4.141 13.862 ( -6.359 0.000 -4.221) 7.632 13.998 ( -1.399 0.000 6.468) 6.617 14.271 ( -6.450 0.000 -8.167) 10.407 14.630 ( -6.478 0.000 1.136) 6.577 14.730 ( 0.049 0.000 1.019) 1.020 15.032 ( 1.434 0.000 -1.527) 2.094 15.114 ( 7.140 0.000 -7.596) 10.425 16.510 ( -3.295 0.000 -1.011) 3.446 16.520 ( 3.365 0.000 -3.750) 5.038 16.568 ( 3.916 0.000 5.859) 7.047 16.760 ( 2.115 0.000 -1.551) 2.623 17.823 ( 3.160 0.000 -6.231) 6.987 17.877 ( -1.471 0.000 -2.657) 3.037 18.117 ( 1.630 0.000 7.916) 8.082 18.434 ( 1.905 0.000 2.599) 3.222 18.727 ( 6.693 0.000 -4.675) 8.164 18.818 ( -0.414 0.000 7.085) 7.097 19.230 ( 0.056 0.000 -2.538) 2.539 19.279 ( -2.381 0.000 -1.015) 2.588 28.214 ( 0.802 0.000 0.786) 1.123 28.357 ( -0.967 0.000 -0.665) 1.173 28.615 ( 4.853 0.000 0.985) 4.952 28.698 ( 0.148 0.000 0.505) 0.527 29.839 ( 1.599 0.000 0.430) 1.656 29.864 ( -4.611 0.000 7.048) 8.423 30.384 ( -0.895 0.000 1.535) 1.777 30.974 ( 8.730 0.000 -13.262) 15.878 31.117 ( 18.839 0.000 8.970) 20.866 31.263 ( 3.980 0.000 -4.733) 6.184 31.342 ( -0.842 0.000 3.851) 3.942 31.741 ( -6.132 0.000 -1.982) 6.445 31.962 ( -10.293 0.000 2.490) 10.590 32.383 ( -7.458 0.000 -0.480) 7.473 33.480 ( -2.547 0.000 6.703) 7.171 33.661 ( -21.392 0.000 -16.723) 27.153 ======================= Grid point 165 (80/156) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 17.140 10.629 28.947) 35.281 1.838 ( -3.729 19.627 33.958) 39.399 2.591 ( -3.917 26.653 43.456) 51.128 2.717 ( -9.536 0.750 -14.847) 17.662 3.432 ( 2.829 5.428 -16.286) 17.398 3.618 ( 4.780 1.534 2.039) 5.418 3.914 ( -5.451 -13.500 -8.280) 16.749 4.172 ( -3.786 -11.272 11.731) 16.704 4.580 ( 2.158 2.823 -6.285) 7.220 4.815 ( -2.114 -1.960 2.622) 3.897 4.967 ( 0.311 -7.436 -1.703) 7.635 5.060 ( -7.394 1.224 -8.447) 11.292 5.330 ( 0.553 6.944 -3.017) 7.591 5.446 ( -1.881 0.566 -0.973) 2.192 5.876 ( 2.475 -1.288 -22.933) 23.102 6.085 ( 5.158 -3.311 -0.593) 6.158 6.285 ( 0.408 -5.635 -6.177) 8.371 6.530 ( -7.769 -0.454 6.281) 10.000 6.777 ( -3.030 10.603 -9.914) 14.829 6.893 ( 5.264 -7.352 -5.097) 10.380 7.382 ( -15.790 -2.080 0.502) 15.935 7.743 ( 12.339 0.550 -1.086) 12.399 7.854 ( 1.950 -4.530 -3.548) 6.075 7.913 ( 9.178 -0.508 3.479) 9.829 8.252 ( 0.508 5.698 0.459) 5.739 8.302 ( -2.291 6.036 -1.318) 6.589 8.838 ( 0.628 -1.456 1.943) 2.508 9.066 ( 2.444 -1.152 1.414) 3.050 9.341 ( 5.357 -3.186 18.448) 19.472 9.787 ( 9.631 0.548 8.920) 13.139 10.196 ( -3.629 -12.730 1.347) 13.306 10.331 ( -5.116 1.775 4.126) 6.808 10.377 ( 11.100 -10.175 -0.269) 15.061 10.653 ( 3.933 -0.540 0.626) 4.019 10.712 ( -4.981 2.636 1.645) 5.870 10.944 ( -15.251 -17.310 9.069) 24.788 11.100 ( 2.015 -5.127 -2.331) 5.982 11.344 ( -1.116 -4.563 6.005) 7.624 11.637 ( 1.339 3.623 -17.073) 17.504 11.900 ( 12.456 2.830 -11.990) 17.519 12.648 ( -7.641 10.534 7.704) 15.123 12.964 ( 18.139 16.686 -3.054) 24.835 13.533 ( -2.837 -4.651 -2.350) 5.933 13.669 ( -3.361 1.456 -6.582) 7.533 14.003 ( -5.999 -0.829 6.265) 8.714 14.204 ( 1.530 -0.087 3.029) 3.395 14.577 ( -1.985 0.117 3.959) 4.430 14.705 ( -6.252 0.329 -0.791) 6.310 15.013 ( 0.183 -1.660 -1.568) 2.291 15.153 ( 5.019 -0.731 -5.738) 7.659 16.443 ( -4.493 1.753 -0.040) 4.823 16.583 ( 3.154 1.391 -2.553) 4.289 16.668 ( 1.066 -0.345 2.913) 3.121 16.807 ( 3.411 1.696 -3.790) 5.374 17.742 ( 0.517 -3.309 -2.158) 3.984 17.832 ( -0.656 -0.859 -4.312) 4.445 18.312 ( 2.466 6.728 7.429) 10.322 18.497 ( -2.438 1.593 3.990) 4.940 18.723 ( -2.955 -4.513 -2.391) 5.900 18.801 ( -7.242 0.937 2.612) 7.755 19.067 ( -4.162 3.305 0.340) 5.325 19.199 ( 1.284 -1.944 -0.663) 2.422 28.305 ( 0.500 4.645 0.183) 4.676 28.365 ( -1.159 3.851 -1.262) 4.215 28.653 ( 2.446 -3.272 0.789) 4.161 28.677 ( -1.252 -1.073 -0.479) 1.717 29.871 ( -4.691 3.552 5.830) 8.283 30.044 ( 1.950 11.121 -1.207) 11.355 30.338 ( -4.341 -0.185 0.999) 4.458 30.911 ( 3.147 -5.064 -13.164) 14.451 31.218 ( 1.353 0.090 1.236) 1.834 31.249 ( -2.186 -1.233 -1.784) 3.080 31.450 ( -10.183 2.286 1.774) 10.586 31.627 ( 6.210 -2.970 -0.673) 6.916 31.996 ( 6.982 9.837 0.338) 12.067 32.235 ( -7.867 2.866 -4.706) 9.605 33.364 ( 5.471 -11.809 6.766) 14.668 33.455 ( 3.497 -10.203 4.770) 11.794 ======================= Grid point 166 (81/156) ======================= q-point: ( 0.09 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 20.770 5.582 29.410) 36.435 2.265 ( 7.583 8.207 35.911) 37.609 2.704 ( 25.088 4.954 -22.905) 34.330 3.157 ( 19.554 16.379 29.297) 38.845 3.346 ( 12.160 11.563 -20.580) 26.554 3.847 ( 12.849 -9.417 -9.329) 18.461 3.996 ( 28.100 -3.156 1.903) 28.341 4.356 ( 11.118 -8.190 12.469) 18.605 4.572 ( 0.418 6.072 0.086) 6.087 4.750 ( 1.990 -1.134 -6.225) 6.633 4.901 ( -2.595 -11.066 -3.574) 11.915 4.990 ( 1.535 1.948 3.168) 4.023 5.309 ( 4.787 6.362 -7.169) 10.714 5.373 ( -4.904 -4.795 -9.717) 11.894 5.755 ( 2.204 -0.965 -0.073) 2.407 6.063 ( 3.531 -7.294 -13.074) 15.382 6.285 ( -3.955 4.774 2.299) 6.612 6.557 ( 1.989 -4.690 7.142) 8.773 6.612 ( -3.005 5.166 -8.407) 10.315 6.947 ( 4.096 3.982 -6.303) 8.506 7.018 ( -19.111 -0.461 5.710) 19.951 7.757 ( -6.389 -4.914 -4.050) 9.020 7.890 ( 3.873 -6.603 -6.142) 9.815 8.107 ( 8.064 0.293 0.690) 8.099 8.214 ( -3.351 5.394 0.082) 6.351 8.311 ( 2.669 8.469 -0.515) 8.894 8.772 ( -11.225 -2.508 6.014) 12.979 9.047 ( -1.130 -1.416 -3.668) 4.091 9.607 ( 1.195 -3.990 12.646) 13.315 9.931 ( -14.297 -1.630 6.030) 15.602 10.003 ( -0.020 -1.400 2.574) 2.930 10.262 ( -13.171 -6.715 -7.183) 16.437 10.391 ( -0.051 -6.725 1.399) 6.869 10.585 ( -2.632 -1.591 0.011) 3.076 10.822 ( 3.831 -1.336 8.126) 9.083 10.927 ( 10.601 7.051 1.779) 12.855 11.150 ( -1.179 -12.491 -2.016) 12.707 11.453 ( 5.605 -4.666 5.811) 9.325 11.568 ( 7.724 3.444 -10.324) 13.346 12.014 ( 13.146 0.018 -13.456) 18.812 12.610 ( -3.500 3.100 5.601) 7.296 13.185 ( 9.420 12.896 -8.366) 18.029 13.508 ( 2.089 -7.346 -0.594) 7.660 13.606 ( 1.649 1.397 -2.224) 3.101 13.925 ( -8.249 -5.474 5.014) 11.097 14.264 ( -0.715 4.966 5.768) 7.645 14.591 ( -2.747 -1.440 2.895) 4.243 14.636 ( 0.290 0.835 0.500) 1.015 14.975 ( -1.688 -2.072 -2.908) 3.949 15.146 ( 0.517 0.159 -5.040) 5.069 16.405 ( 1.768 2.316 -0.344) 2.934 16.611 ( 2.101 0.337 -2.051) 2.956 16.698 ( 0.609 -0.154 0.870) 1.073 16.815 ( 1.526 2.756 -3.167) 4.467 17.708 ( -2.905 -1.163 -1.628) 3.527 17.767 ( -1.606 -2.279 -2.767) 3.928 18.343 ( -11.089 2.588 4.590) 12.277 18.441 ( -5.644 6.425 6.323) 10.636 18.562 ( -1.924 1.560 -0.931) 2.646 18.839 ( -0.479 -5.261 4.771) 7.119 19.024 ( -2.981 3.905 1.812) 5.236 19.269 ( 6.561 -0.598 -0.759) 6.631 28.315 ( -0.126 3.770 1.406) 4.026 28.331 ( -1.084 3.879 -1.197) 4.202 28.629 ( -2.800 -1.277 -0.830) 3.187 28.696 ( 1.215 -3.019 0.287) 3.267 29.833 ( -5.563 3.802 4.601) 8.159 30.085 ( 3.156 8.340 0.558) 8.935 30.283 ( -5.786 -2.058 5.623) 8.327 30.770 ( -4.487 -5.968 -8.088) 11.008 31.050 ( -13.247 4.503 -0.688) 14.008 31.313 ( 3.771 -2.930 -0.744) 4.833 31.471 ( 7.876 0.332 1.916) 8.112 31.618 ( -1.571 -1.881 -2.942) 3.830 32.154 ( 7.503 7.991 -4.777) 11.957 32.223 ( 9.141 7.196 5.128) 12.713 33.363 ( -3.948 -6.585 2.984) 8.237 33.727 ( 16.906 -14.941 -4.282) 22.965 ======================= Grid point 167 (82/156) ======================= q-point: ( 0.18 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 8.757 14.946 0.226) 17.324 2.634 ( -7.866 1.665 30.722) 31.757 2.862 ( 9.961 1.359 3.546) 10.661 3.322 ( 18.910 8.904 -24.072) 31.880 3.863 ( 19.263 -1.727 12.613) 23.090 4.249 ( 30.114 2.429 -3.848) 30.455 4.474 ( 29.297 4.683 -5.164) 30.115 4.708 ( 9.194 -11.679 13.328) 19.965 4.773 ( 11.032 1.288 -3.262) 11.576 4.866 ( 8.667 -9.962 -1.129) 13.252 4.897 ( 20.835 0.205 3.358) 21.105 5.093 ( 6.795 -1.948 0.853) 7.120 5.221 ( 5.733 3.811 -0.828) 6.934 5.396 ( 8.871 1.482 2.334) 9.292 5.841 ( 0.904 -8.757 -0.766) 8.837 6.020 ( 8.349 2.720 -6.306) 10.811 6.138 ( -4.371 0.873 -10.640) 11.536 6.534 ( 0.009 -7.945 1.608) 8.106 6.627 ( -4.712 4.917 7.173) 9.891 6.835 ( -1.415 8.966 2.920) 9.535 7.051 ( 3.794 5.570 0.998) 6.813 7.539 ( -6.940 -2.248 -11.752) 13.832 7.756 ( -10.370 -9.867 -3.660) 14.774 8.131 ( -5.494 4.649 -0.196) 7.200 8.212 ( 2.797 0.445 -0.188) 2.838 8.363 ( 3.843 7.265 -1.042) 8.284 8.610 ( -13.768 -2.762 6.770) 15.589 9.002 ( 3.393 -0.816 -6.898) 7.731 9.592 ( -8.124 -1.945 0.714) 8.384 9.814 ( -10.503 -2.812 -1.387) 10.961 9.838 ( -9.646 0.325 -0.055) 9.651 10.018 ( -10.147 -2.231 1.354) 10.478 10.371 ( -0.252 -5.036 -4.890) 7.024 10.663 ( 5.512 -2.324 1.919) 6.283 10.863 ( -5.487 -3.378 4.251) 7.720 11.098 ( 4.317 5.103 3.255) 7.435 11.125 ( 1.625 0.181 0.207) 1.648 11.613 ( 9.839 -3.901 -1.913) 10.755 11.748 ( 16.277 -2.013 -0.536) 16.409 12.071 ( 8.116 1.201 -9.723) 12.722 12.619 ( -1.127 -4.979 1.490) 5.318 13.138 ( -4.026 9.714 -6.090) 12.152 13.523 ( -1.657 -9.908 0.222) 10.048 13.689 ( 5.839 2.809 5.362) 8.410 13.847 ( -5.983 -10.443 3.735) 12.602 14.306 ( -0.881 7.472 5.407) 9.265 14.533 ( -4.595 -1.336 0.084) 4.786 14.695 ( 1.720 2.613 4.467) 5.453 14.909 ( -1.023 -0.875 -3.653) 3.894 15.084 ( -0.996 3.759 -3.876) 5.490 16.498 ( 8.452 0.671 -1.412) 8.595 16.601 ( -0.487 0.880 -2.364) 2.570 16.721 ( 2.390 0.981 -1.404) 2.940 16.797 ( 0.644 3.561 -3.439) 4.992 17.598 ( -6.825 0.941 -1.682) 7.092 17.728 ( -1.594 -4.098 0.477) 4.423 18.183 ( -8.887 1.939 3.606) 9.785 18.420 ( -4.374 5.476 2.950) 7.604 18.550 ( 0.407 -0.468 -1.003) 1.179 18.847 ( -4.944 -5.047 7.061) 9.989 18.979 ( -3.817 3.638 0.809) 5.335 19.378 ( 5.174 -2.045 -0.675) 5.605 28.305 ( -0.329 3.392 -1.201) 3.614 28.334 ( 0.182 2.815 2.155) 3.550 28.561 ( -3.506 -1.085 -1.259) 3.880 28.704 ( -0.370 -2.779 -0.283) 2.818 29.781 ( -5.134 3.561 4.035) 7.438 30.161 ( 3.875 5.616 1.127) 6.916 30.250 ( -5.526 -3.006 6.968) 9.387 30.623 ( -4.077 -3.875 -4.823) 7.410 30.824 ( -11.792 3.779 0.919) 12.416 31.138 ( -14.891 -2.040 -6.541) 16.392 31.657 ( 10.154 -6.526 -3.869) 12.675 31.725 ( 14.115 -6.022 1.009) 15.379 32.329 ( 10.952 13.750 -0.075) 17.579 32.416 ( 6.585 11.697 6.680) 14.994 33.377 ( 2.627 -6.927 4.255) 8.543 33.916 ( 13.091 -12.307 -9.218) 20.195 ======================= Grid point 168 (83/156) ======================= q-point: ( 0.27 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.013 14.368 -24.105) 28.062 2.809 ( -19.986 2.540 41.866) 46.461 3.233 ( 15.009 -0.130 12.423) 19.483 3.470 ( 23.246 8.402 -18.062) 30.614 4.117 ( -0.316 -3.275 9.546) 10.097 4.422 ( -3.491 -0.965 8.985) 9.688 4.484 ( -8.004 4.319 -13.067) 15.921 4.916 ( 8.866 -6.519 -1.736) 11.141 5.076 ( 3.552 -15.304 3.817) 16.167 5.196 ( 9.805 -1.694 4.282) 10.832 5.293 ( 30.227 -8.323 3.364) 31.532 5.389 ( 8.946 -2.182 2.241) 9.477 5.605 ( 29.104 -4.076 2.716) 29.514 5.751 ( 23.128 6.535 4.887) 24.526 5.813 ( 8.284 1.426 -2.788) 8.856 6.022 ( 7.591 0.857 -8.175) 11.189 6.306 ( 21.107 9.604 3.814) 23.501 6.563 ( 0.529 -3.613 -4.959) 6.158 6.643 ( 2.862 3.927 5.708) 7.496 6.812 ( -6.073 5.833 -1.242) 8.512 7.103 ( 2.791 2.436 2.165) 4.291 7.397 ( 5.036 2.884 -6.251) 8.530 7.579 ( -1.908 0.589 -3.289) 3.847 8.015 ( -4.858 -3.971 -2.223) 6.657 8.217 ( -2.041 2.409 -0.244) 3.167 8.404 ( -1.153 5.069 -0.201) 5.203 8.449 ( -7.861 -1.636 3.025) 8.580 9.024 ( 7.277 -0.990 -7.645) 10.601 9.417 ( -8.620 -0.878 -1.492) 8.792 9.552 ( -10.566 -2.587 -3.704) 11.491 9.726 ( -9.413 -1.301 2.972) 9.957 9.853 ( -7.725 5.575 -2.778) 9.923 10.301 ( 1.659 -3.095 -9.100) 9.754 10.731 ( -0.591 -4.276 -0.695) 4.372 10.795 ( -1.820 -3.782 0.279) 4.206 11.160 ( 2.891 3.110 -1.826) 4.622 11.236 ( 1.790 4.145 12.033) 12.853 11.768 ( 10.275 -2.504 -4.771) 11.603 11.934 ( 5.737 -4.714 -6.226) 9.690 12.131 ( 3.543 -1.788 1.329) 4.185 12.587 ( -1.613 -8.095 -1.422) 8.375 12.956 ( -10.237 -0.351 -2.917) 10.650 13.455 ( -6.858 -3.061 1.552) 7.669 13.783 ( -4.068 -10.714 2.507) 11.731 13.896 ( 6.571 -0.155 8.338) 10.617 14.340 ( 0.589 2.377 0.306) 2.468 14.449 ( -5.497 5.933 2.992) 8.624 14.772 ( 1.029 3.520 4.324) 5.670 14.877 ( 1.370 2.402 -2.628) 3.815 15.062 ( 1.682 7.473 -0.785) 7.700 16.559 ( -0.556 1.211 -0.985) 1.657 16.632 ( 5.979 -0.968 -1.573) 6.258 16.751 ( 5.533 2.696 -5.740) 8.416 16.783 ( 2.207 2.278 -2.473) 4.021 17.451 ( -7.991 0.969 0.072) 8.050 17.714 ( -1.839 -4.630 2.238) 5.461 18.097 ( -4.590 0.627 1.787) 4.965 18.341 ( -6.263 3.870 0.429) 7.375 18.547 ( 1.148 -1.233 -1.794) 2.461 18.833 ( -5.656 -4.050 8.086) 10.667 18.910 ( -3.938 4.107 -0.314) 5.699 19.411 ( 0.781 -3.961 -2.948) 4.999 28.295 ( 0.871 2.323 -1.385) 2.842 28.366 ( 0.674 2.164 2.304) 3.232 28.479 ( -3.746 -0.727 -1.856) 4.243 28.678 ( -1.771 -2.315 -0.816) 3.027 29.742 ( -4.151 3.169 4.356) 6.800 30.215 ( -1.673 -1.329 3.015) 3.696 30.252 ( 0.351 1.536 3.541) 3.875 30.510 ( -2.667 -0.840 -5.344) 6.031 30.661 ( -10.109 0.199 5.082) 11.316 30.812 ( -11.388 -1.177 -6.504) 13.167 31.738 ( 4.584 -7.078 -5.471) 10.052 31.964 ( 7.277 -11.071 3.761) 13.772 32.492 ( 9.071 14.018 -0.517) 16.705 32.623 ( 9.568 16.189 3.853) 19.195 33.549 ( 7.656 -6.757 8.075) 13.018 34.023 ( 11.049 -9.558 -10.079) 17.749 ======================= Grid point 169 (84/156) ======================= q-point: ( 0.36 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 9.125 13.965 -4.789) 17.356 2.841 ( -24.319 4.929 39.084) 46.296 3.538 ( 14.919 -4.720 -5.083) 16.452 3.763 ( 18.387 6.362 -1.086) 19.487 4.029 ( -7.410 1.470 -9.294) 11.976 4.297 ( -3.745 3.345 14.227) 15.087 4.637 ( 2.989 -9.569 15.909) 18.804 4.980 ( -7.770 -12.311 -6.373) 15.892 5.062 ( 7.931 -5.797 0.243) 9.827 5.265 ( -8.026 -7.912 3.290) 11.740 5.428 ( -0.279 -4.117 5.876) 7.180 5.626 ( -0.032 -11.721 0.464) 11.730 5.844 ( 6.526 -4.666 5.050) 9.479 5.898 ( 11.501 12.491 -4.925) 17.679 6.138 ( 4.865 -1.857 3.353) 6.194 6.406 ( 9.250 6.599 -7.056) 13.375 6.493 ( -0.703 11.132 -1.413) 11.243 6.558 ( 5.798 1.960 -3.363) 6.983 6.885 ( 28.710 7.786 0.611) 29.754 6.906 ( 23.514 -1.291 0.757) 23.562 7.279 ( 12.583 7.375 2.076) 14.732 7.520 ( 8.239 1.735 -3.089) 8.968 7.621 ( 8.006 1.511 2.486) 8.518 7.978 ( 4.071 -5.598 -3.766) 7.880 8.136 ( -4.433 2.345 -1.340) 5.191 8.275 ( -6.901 1.002 -1.807) 7.203 8.444 ( 0.090 7.207 1.436) 7.350 9.074 ( 6.759 -0.227 -7.894) 10.395 9.293 ( -10.189 -4.014 2.878) 11.323 9.383 ( -1.930 -1.666 0.323) 2.570 9.588 ( -7.430 0.736 1.427) 7.601 9.679 ( -8.164 7.167 -3.387) 11.379 10.250 ( 3.794 -2.947 -9.843) 10.953 10.635 ( -2.625 1.231 -7.856) 8.374 10.822 ( 2.845 -8.514 0.042) 8.977 11.176 ( 2.098 2.168 -4.013) 5.020 11.391 ( -1.583 2.506 14.978) 15.268 11.847 ( -1.771 -1.054 -3.880) 4.394 11.875 ( 1.860 -0.989 -4.782) 5.225 12.150 ( -1.715 -9.912 -0.840) 10.094 12.574 ( 2.414 -8.933 -2.633) 9.621 12.728 ( -12.447 -8.542 -0.875) 15.122 13.339 ( -7.090 2.094 2.201) 7.713 13.748 ( -1.900 -8.817 0.735) 9.049 14.027 ( 0.755 -1.682 2.093) 2.789 14.305 ( -4.406 -7.584 -0.498) 8.785 14.453 ( 0.939 18.167 4.967) 18.857 14.821 ( 1.902 4.124 0.626) 4.584 14.898 ( 1.908 4.174 0.430) 4.609 15.094 ( 0.580 9.976 0.353) 9.999 16.578 ( 1.735 0.667 2.171) 2.859 16.663 ( 2.039 0.572 -1.747) 2.745 16.806 ( 3.079 1.870 -1.972) 4.106 16.836 ( 8.541 0.079 -4.985) 9.889 17.343 ( -5.274 0.337 3.258) 6.209 17.704 ( -1.975 -4.422 2.304) 5.363 18.045 ( -2.282 -0.085 -0.133) 2.287 18.218 ( -6.698 2.118 -1.205) 7.127 18.559 ( 2.071 -0.966 -1.289) 2.624 18.813 ( -5.033 -1.677 5.458) 7.611 18.844 ( -4.014 2.651 1.672) 5.093 19.365 ( -0.137 -4.703 -5.497) 7.236 28.304 ( 1.860 0.995 -1.714) 2.719 28.391 ( -3.228 0.094 -2.428) 4.041 28.406 ( 0.955 1.241 2.198) 2.698 28.629 ( -2.348 -1.729 -1.138) 3.130 29.728 ( -3.261 2.655 5.286) 6.755 30.205 ( -2.963 -3.525 3.566) 5.824 30.285 ( 1.050 2.305 -0.512) 2.584 30.426 ( -0.608 0.407 -3.849) 3.917 30.561 ( -7.737 -1.079 5.380) 9.485 30.630 ( -4.201 -0.778 -1.849) 4.656 31.736 ( 1.802 -5.745 -3.316) 6.874 32.038 ( -2.547 -11.171 3.520) 11.987 32.657 ( 9.936 13.633 -1.825) 16.968 32.813 ( 8.764 13.615 -0.148) 16.193 33.751 ( 2.936 -5.562 9.259) 11.193 34.108 ( 10.176 -7.785 -8.993) 15.653 ======================= Grid point 170 (85/156) ======================= q-point: ( 0.45 0.17 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 10.186 7.200 16.607) 20.770 2.812 ( -17.642 10.449 31.251) 37.377 3.680 ( 3.556 -3.809 3.190) 6.110 3.899 ( 4.782 1.141 -6.155) 7.877 3.999 ( 4.285 3.779 -7.391) 9.342 4.426 ( -0.859 -0.740 14.827) 14.870 4.655 ( -9.321 -8.116 0.389) 12.366 4.766 ( -5.144 -3.335 -4.396) 7.544 5.223 ( 1.040 -14.179 4.970) 15.061 5.282 ( 8.651 -13.172 12.774) 20.286 5.488 ( -1.404 -2.756 6.134) 6.870 5.605 ( -0.638 -8.413 0.807) 8.476 5.880 ( -3.221 0.112 -2.858) 4.308 6.071 ( 1.195 3.021 -4.645) 5.669 6.147 ( 2.540 12.109 -3.572) 12.878 6.232 ( -3.254 -1.511 7.377) 8.203 6.467 ( 4.661 5.825 -9.711) 12.246 6.730 ( 2.973 3.167 4.038) 5.931 7.096 ( 2.610 6.073 0.885) 6.669 7.428 ( -0.708 1.446 -8.651) 8.800 7.503 ( 24.906 0.312 -4.575) 25.324 7.645 ( 13.789 3.332 4.288) 14.820 7.868 ( 0.353 9.716 2.965) 10.165 7.903 ( 4.671 -2.948 -8.588) 10.211 8.114 ( 0.028 3.499 2.075) 4.068 8.217 ( 1.075 4.875 0.455) 5.013 8.454 ( -2.744 5.234 5.714) 8.220 9.049 ( 1.283 2.018 -10.398) 10.669 9.162 ( -6.690 -7.880 3.348) 10.865 9.411 ( -5.391 -1.441 8.170) 9.894 9.497 ( -1.297 4.738 -4.998) 7.008 9.567 ( 1.489 3.273 1.557) 3.918 10.207 ( 1.792 -4.906 -8.323) 9.826 10.508 ( 1.468 4.752 -12.420) 13.379 10.888 ( 5.711 -8.914 -3.079) 11.025 11.149 ( 2.862 1.957 -8.050) 8.765 11.486 ( -4.135 -0.788 13.996) 14.615 11.671 ( -14.918 -0.214 6.087) 16.114 11.908 ( 4.666 -1.046 -5.038) 6.946 12.128 ( 4.905 -8.453 -6.373) 11.668 12.506 ( -8.008 -11.921 -1.333) 14.422 12.597 ( 0.947 -11.682 -2.564) 11.997 13.288 ( -2.203 3.494 4.525) 6.127 13.717 ( -1.453 -5.905 -1.908) 6.374 13.998 ( -3.440 0.213 -0.676) 3.512 14.215 ( -2.910 -5.590 -2.311) 6.713 14.514 ( -1.838 15.568 5.687) 16.676 14.856 ( 3.237 6.037 -2.922) 7.447 14.938 ( 0.159 4.596 2.655) 5.311 15.075 ( -1.177 7.709 -1.401) 7.923 16.624 ( 0.967 1.213 2.338) 2.806 16.727 ( 2.688 0.995 2.639) 3.896 16.819 ( 0.787 1.889 -1.973) 2.843 16.932 ( 7.118 -0.723 -4.085) 8.239 17.354 ( 0.569 -1.204 6.841) 6.969 17.705 ( 0.232 -3.594 1.707) 3.985 18.011 ( -0.389 -0.517 -1.834) 1.944 18.090 ( -5.120 0.402 -2.279) 5.619 18.588 ( 1.775 -0.401 -0.067) 1.821 18.771 ( -1.820 2.948 -1.100) 3.635 18.800 ( -6.696 -1.619 7.314) 10.048 19.312 ( 1.722 -4.765 -6.449) 8.201 28.307 ( -1.527 -0.022 -1.790) 2.353 28.327 ( 0.984 0.235 -2.376) 2.583 28.449 ( 1.325 0.783 1.864) 2.417 28.580 ( -1.408 -1.223 -1.339) 2.296 29.737 ( -2.941 1.984 6.511) 7.415 30.180 ( -1.465 -3.569 -1.105) 4.013 30.286 ( -1.537 1.828 1.824) 3.005 30.429 ( 4.202 0.594 -0.994) 4.359 30.485 ( -6.298 -0.007 3.852) 7.382 30.603 ( 1.966 -1.028 -0.248) 2.233 31.767 ( 4.008 -5.964 0.119) 7.186 31.984 ( -5.535 -8.777 1.105) 10.435 32.772 ( 4.437 12.917 -1.674) 13.760 32.907 ( 2.929 10.884 -2.776) 11.608 33.823 ( -5.204 -4.169 7.867) 10.313 34.197 ( 9.477 -7.523 -7.156) 14.057 ======================= Grid point 171 (86/156) ======================= q-point: (-0.45 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -26.605 6.222 26.981) 38.400 3.153 ( 15.541 10.150 17.915) 25.797 3.530 ( -25.271 5.150 -0.977) 25.809 3.964 ( 13.263 -0.831 8.627) 15.843 4.034 ( 7.316 -7.816 -7.328) 12.974 4.358 ( -8.387 -3.611 -11.165) 14.424 4.625 ( 4.946 -3.287 10.782) 12.310 4.901 ( 7.819 1.571 9.912) 12.722 5.211 ( -7.491 -10.635 2.509) 13.248 5.390 ( -11.840 -1.022 -12.802) 17.468 5.471 ( -1.535 -5.991 3.749) 7.232 5.622 ( 5.621 -17.957 8.151) 20.506 5.923 ( 6.342 -3.441 5.122) 8.848 5.964 ( -1.015 5.974 6.338) 8.768 6.244 ( -1.774 2.739 2.101) 3.881 6.414 ( 8.431 3.853 4.968) 10.518 6.445 ( 10.735 1.312 -9.446) 14.359 6.681 ( -6.587 1.494 -8.407) 10.784 7.096 ( -4.244 1.848 -4.013) 6.126 7.244 ( -10.794 4.885 -3.247) 12.285 7.447 ( -16.706 6.663 -4.225) 18.475 7.642 ( -8.216 2.835 0.016) 8.691 7.827 ( -5.200 3.198 -3.107) 6.850 8.034 ( -7.936 2.769 2.667) 8.819 8.133 ( -2.039 3.063 4.815) 6.060 8.241 ( 7.418 7.478 -1.517) 10.642 8.527 ( 3.175 4.464 7.414) 9.218 8.949 ( 0.314 1.222 -10.906) 10.979 9.124 ( 0.454 -4.808 2.937) 5.652 9.351 ( -5.121 -3.932 3.318) 7.258 9.522 ( 4.893 1.269 -1.866) 5.389 9.658 ( 4.505 3.870 1.967) 6.257 10.147 ( 0.977 -3.826 -6.064) 7.236 10.435 ( 4.956 6.451 -12.575) 14.977 10.904 ( 0.728 -5.761 -4.658) 7.444 11.156 ( 9.057 0.349 -10.461) 13.841 11.476 ( -14.851 -1.158 8.930) 17.367 11.626 ( 5.529 -3.533 12.155) 13.813 11.922 ( 1.735 0.104 -3.989) 4.351 12.164 ( 5.392 -1.651 -5.794) 8.085 12.412 ( -1.888 -15.934 -1.034) 16.079 12.608 ( 4.963 -11.428 -2.662) 12.740 13.347 ( 1.512 2.484 6.496) 7.117 13.637 ( -2.723 -0.885 -5.569) 6.262 13.947 ( -3.128 -2.497 3.783) 5.508 14.162 ( 0.575 -6.173 -3.916) 7.332 14.509 ( -4.739 14.723 5.811) 16.522 14.876 ( 3.726 11.492 -4.591) 12.924 14.949 ( -1.839 0.809 2.889) 3.519 15.062 ( 1.147 4.049 -0.499) 4.238 16.664 ( -0.549 1.037 2.905) 3.133 16.743 ( -3.204 0.233 1.048) 3.379 16.805 ( 0.170 3.870 -1.706) 4.233 16.986 ( 3.885 0.447 -4.763) 6.162 17.490 ( 4.337 -3.361 8.401) 10.034 17.767 ( 5.102 -2.883 1.082) 5.959 17.984 ( -1.060 -0.954 -1.792) 2.291 18.006 ( 0.192 -0.733 -3.576) 3.656 18.613 ( -0.061 0.139 1.756) 1.762 18.729 ( -0.200 4.133 -3.564) 5.461 18.760 ( -7.039 -2.574 8.748) 11.520 19.290 ( 3.362 -4.632 -6.344) 8.544 28.256 ( -1.616 0.585 -1.179) 2.084 28.330 ( 1.278 -0.314 -1.887) 2.301 28.493 ( 1.390 -0.061 1.613) 2.130 28.555 ( 0.616 -0.901 -1.913) 2.202 29.759 ( -3.049 1.347 7.550) 8.254 30.129 ( -0.563 -0.222 -4.880) 4.918 30.262 ( -4.660 -0.703 3.514) 5.879 30.439 ( -2.294 0.687 3.289) 4.068 30.551 ( 8.984 0.652 1.115) 9.077 30.679 ( 7.075 -0.989 -1.704) 7.345 31.869 ( 1.368 -7.328 1.407) 7.586 31.893 ( -0.183 -6.785 -0.147) 6.789 32.768 ( -3.466 13.294 -0.766) 13.760 32.851 ( -5.121 9.829 -3.535) 11.633 33.746 ( -11.310 -3.295 6.401) 13.407 34.287 ( 7.841 -8.722 -5.513) 12.960 ======================= Grid point 172 (87/156) ======================= q-point: (-0.36 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -29.745 10.966 16.906) 35.928 2.867 ( -33.985 10.418 -1.214) 35.567 3.714 ( 13.991 -2.506 12.067) 18.645 3.919 ( -5.154 -3.738 -9.013) 11.035 4.319 ( 4.941 -3.079 3.182) 6.635 4.358 ( 10.768 -5.546 12.671) 17.528 4.667 ( -5.718 8.565 -0.714) 10.323 5.017 ( -7.281 0.859 1.910) 7.576 5.063 ( -4.655 -6.474 -4.541) 9.176 5.264 ( 6.474 -8.309 4.848) 11.595 5.506 ( 1.632 -2.158 4.445) 5.204 5.675 ( -7.837 -9.919 5.633) 13.840 5.948 ( -0.524 -2.718 0.605) 2.834 6.179 ( 0.971 0.063 -2.281) 2.480 6.245 ( 2.826 4.802 7.349) 9.222 6.317 ( -7.881 -0.155 -7.234) 10.699 6.345 ( -18.070 1.102 -7.734) 19.686 6.632 ( -21.907 1.524 -8.324) 23.485 6.757 ( 3.665 -0.964 7.332) 8.253 7.098 ( -18.149 2.186 1.158) 18.317 7.235 ( 2.906 2.475 -3.068) 4.898 7.362 ( -21.181 4.480 -3.421) 21.919 7.554 ( -7.637 5.743 1.944) 9.751 7.935 ( -1.687 -5.297 -3.641) 6.645 8.148 ( -1.809 3.743 3.790) 5.625 8.302 ( 1.736 8.756 -3.806) 9.704 8.651 ( 1.361 3.560 3.741) 5.340 8.829 ( -1.665 0.920 -8.286) 8.501 9.207 ( 5.073 -4.423 0.439) 6.744 9.327 ( -0.603 -6.236 2.903) 6.905 9.583 ( 2.650 2.605 -0.318) 3.730 9.741 ( 2.368 3.883 0.813) 4.620 10.126 ( 2.840 0.229 -3.840) 4.782 10.401 ( 4.321 6.995 -9.143) 12.296 10.881 ( 2.943 -3.784 -3.704) 6.058 11.191 ( 3.378 -3.790 -6.465) 8.220 11.376 ( -5.552 0.641 8.621) 10.274 11.852 ( -3.625 2.509 -3.422) 5.581 11.924 ( 11.890 -4.437 6.948) 14.468 12.179 ( 0.527 -0.543 -3.634) 3.712 12.381 ( 2.316 -9.359 -3.282) 10.184 12.725 ( 8.080 -11.056 -0.078) 13.694 13.455 ( 2.588 0.124 5.126) 5.744 13.557 ( 0.751 3.528 -2.253) 4.253 13.952 ( -2.681 -7.633 4.839) 9.427 14.162 ( 3.417 -7.526 -1.558) 8.411 14.498 ( -2.876 11.785 5.650) 13.382 14.891 ( 0.504 10.083 -0.150) 10.097 14.962 ( 3.069 1.066 -1.614) 3.628 15.089 ( 1.515 4.131 0.735) 4.461 16.622 ( -4.975 -0.420 -0.886) 5.071 16.693 ( -3.374 -0.358 0.932) 3.519 16.780 ( -0.629 5.276 -1.831) 5.620 16.963 ( 0.454 2.227 -6.972) 7.333 17.651 ( 3.675 -5.198 7.531) 9.861 17.858 ( 5.841 -3.918 -6.817) 9.795 17.992 ( 3.160 -0.688 -4.542) 5.576 18.009 ( 3.185 0.413 6.107) 6.900 18.622 ( -2.002 0.207 3.504) 4.041 18.693 ( -0.632 2.976 -1.084) 3.230 18.748 ( -3.752 -0.851 7.327) 8.276 19.285 ( 3.105 -4.485 -5.985) 8.098 28.227 ( -0.754 1.185 -0.412) 1.464 28.337 ( 1.284 0.045 -0.573) 1.407 28.522 ( 0.884 -1.422 -1.005) 1.952 28.565 ( 2.277 -0.027 -0.460) 2.323 29.788 ( -3.017 1.082 7.879) 8.506 30.065 ( -0.288 5.753 -5.181) 7.748 30.207 ( -4.896 -3.016 3.526) 6.746 30.481 ( 2.329 -0.515 3.604) 4.322 30.753 ( 11.088 0.001 1.474) 11.186 30.798 ( 10.537 -0.902 -5.658) 11.994 31.782 ( -3.268 -3.660 -3.213) 5.866 32.011 ( 3.145 -10.377 3.542) 11.407 32.628 ( -12.107 10.991 -0.266) 16.354 32.687 ( -8.066 13.869 -1.270) 16.094 33.585 ( -13.516 -3.484 6.403) 15.356 34.343 ( 4.605 -11.660 -5.894) 13.852 ======================= Grid point 173 (88/156) ======================= q-point: (-0.27 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -29.240 16.684 6.693) 34.324 2.278 ( -32.886 14.790 5.420) 36.464 3.613 ( -20.064 1.769 -0.091) 20.142 4.022 ( 3.547 -12.069 5.683) 13.803 4.329 ( -7.106 7.024 0.509) 10.004 4.471 ( -4.031 -3.384 11.005) 12.199 4.722 ( -19.331 4.927 -7.088) 21.171 4.768 ( 5.236 0.784 -1.863) 5.612 4.867 ( -12.394 -4.199 -5.598) 14.233 5.270 ( -22.712 -15.773 5.123) 28.122 5.486 ( -12.844 -1.541 0.588) 12.949 5.577 ( -16.075 -1.205 3.734) 16.547 5.874 ( 1.043 -5.174 -5.463) 7.596 5.887 ( -12.606 1.609 5.367) 13.795 6.078 ( -7.777 6.951 -1.881) 10.598 6.136 ( -1.236 1.585 -6.284) 6.598 6.324 ( 0.151 1.978 -0.139) 1.989 6.340 ( -7.972 4.279 3.326) 9.639 6.661 ( -22.160 6.178 -0.272) 23.007 6.811 ( 1.570 -8.772 2.485) 9.251 7.112 ( 1.091 -7.280 -4.044) 8.399 7.445 ( 13.638 7.186 -2.695) 15.649 7.643 ( 10.155 -3.451 3.202) 11.193 7.865 ( 3.336 -5.082 -8.394) 10.364 8.135 ( -3.439 4.470 1.998) 5.983 8.286 ( 2.024 8.235 -3.788) 9.288 8.622 ( -1.214 -0.588 -5.493) 5.656 8.742 ( -3.876 1.718 0.099) 4.241 9.286 ( 2.685 -3.242 -0.416) 4.230 9.390 ( 2.695 -6.097 5.866) 8.880 9.603 ( 0.001 1.352 -1.142) 1.770 9.751 ( -1.125 6.025 1.950) 6.432 10.154 ( 3.507 5.460 -3.425) 7.337 10.419 ( 4.819 3.475 -1.288) 6.080 10.933 ( 5.438 -5.090 -1.318) 7.564 11.153 ( -2.118 -5.805 -1.660) 6.398 11.406 ( -2.126 0.372 4.849) 5.307 11.701 ( -7.834 7.075 -1.405) 10.649 11.996 ( -6.622 -3.544 -7.189) 10.397 12.246 ( 10.199 0.804 2.186) 10.461 12.432 ( 3.855 -2.499 -1.407) 4.805 12.839 ( 4.100 -6.387 -0.148) 7.592 13.536 ( 5.586 0.470 -0.243) 5.611 13.655 ( 5.498 0.144 5.994) 8.134 13.935 ( -4.155 -6.943 4.035) 9.042 14.247 ( 4.507 -13.241 2.036) 14.135 14.527 ( -0.281 8.329 4.192) 9.329 14.891 ( 0.007 1.887 -0.272) 1.907 15.002 ( 4.540 2.463 -4.655) 6.953 15.139 ( 1.886 7.753 2.158) 8.266 16.523 ( -4.250 -0.405 -0.831) 4.350 16.624 ( -3.274 -0.336 -1.737) 3.721 16.755 ( -0.242 3.314 -1.598) 3.687 16.853 ( -2.189 5.032 -9.863) 11.287 17.769 ( 2.093 -7.269 3.670) 8.407 17.861 ( 4.991 -3.507 -7.933) 10.007 17.990 ( 1.494 1.648 -1.951) 2.959 18.204 ( 8.730 1.285 5.670) 10.489 18.627 ( -0.013 -0.303 1.246) 1.283 18.702 ( 0.025 2.784 4.435) 5.237 18.794 ( -1.388 -0.973 10.986) 11.116 19.265 ( 1.326 -4.354 -5.256) 6.953 28.221 ( 0.361 2.161 0.164) 2.197 28.369 ( 1.816 0.903 1.130) 2.322 28.509 ( 0.775 -1.190 -3.162) 3.467 28.615 ( 2.506 -0.394 1.047) 2.744 29.819 ( -2.630 1.455 7.347) 7.938 30.018 ( 0.609 10.162 -3.792) 10.864 30.192 ( -1.485 -2.971 5.632) 6.538 30.581 ( 4.835 -1.198 2.657) 5.646 30.888 ( 8.805 -0.493 -7.141) 11.347 30.983 ( 13.256 -1.979 -3.168) 13.772 31.692 ( -2.987 -1.443 -4.289) 5.422 32.000 ( -9.126 -8.537 3.212) 12.903 32.376 ( -14.898 10.915 1.578) 18.536 32.586 ( -3.530 13.398 2.067) 14.009 33.433 ( -10.972 -5.313 7.350) 14.235 34.293 ( -1.735 -16.765 -10.418) 19.815 ======================= Grid point 174 (89/156) ======================= q-point: (-0.18 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -24.583 22.743 3.838) 33.709 1.858 ( -27.132 22.971 17.635) 39.684 3.081 ( -49.118 17.571 18.125) 55.225 4.016 ( -17.086 -13.368 3.930) 22.048 4.128 ( -22.649 -0.420 -8.395) 24.158 4.183 ( -12.500 -1.752 -11.893) 17.342 4.323 ( -20.835 -8.380 7.406) 23.647 4.475 ( -27.095 4.116 -1.030) 27.425 4.771 ( -2.855 2.557 -2.636) 4.652 4.964 ( -4.611 -9.624 -0.509) 10.684 5.017 ( -19.948 -4.426 1.586) 20.495 5.362 ( -16.820 -1.852 0.714) 16.937 5.653 ( -9.733 8.320 -5.931) 14.111 5.827 ( -13.673 5.684 -1.683) 14.903 5.966 ( 1.125 -2.097 -4.156) 4.789 6.127 ( 9.176 -0.110 -15.263) 17.809 6.322 ( 3.590 -4.334 3.668) 6.717 6.507 ( 8.745 -0.447 0.163) 8.758 6.513 ( 5.171 0.809 7.849) 9.434 6.938 ( 9.241 -7.487 3.471) 12.389 7.158 ( 5.814 -3.192 -4.126) 7.811 7.550 ( 6.204 9.959 -9.930) 15.371 7.824 ( 6.221 -10.975 -4.644) 13.443 7.908 ( 4.699 -3.558 0.717) 5.938 8.080 ( -2.291 5.801 0.930) 6.306 8.354 ( 10.488 9.961 -1.478) 14.540 8.572 ( -2.766 -0.574 1.031) 3.007 8.688 ( 0.725 0.801 0.688) 1.281 9.281 ( -2.855 -1.067 0.048) 3.048 9.524 ( -0.089 -4.859 5.935) 7.671 9.599 ( 4.146 -3.565 7.113) 8.972 9.820 ( 4.937 4.495 4.903) 8.284 10.198 ( 5.819 7.644 -0.864) 9.646 10.525 ( 3.746 -1.772 4.708) 6.272 11.012 ( -3.428 -9.206 4.250) 10.704 11.065 ( -1.035 -5.269 -4.466) 6.984 11.319 ( -14.367 1.504 6.105) 15.683 11.620 ( 1.073 8.658 -3.399) 9.363 11.772 ( -5.475 0.502 -9.448) 10.932 12.352 ( 1.380 -0.066 -11.955) 12.035 12.464 ( 2.301 3.628 4.487) 6.212 12.863 ( -1.662 0.245 0.845) 1.880 13.634 ( 4.363 -2.657 -1.812) 5.420 13.809 ( 3.982 -2.469 4.071) 6.207 13.927 ( -2.478 -2.955 8.022) 8.901 14.291 ( -0.741 -15.273 -3.738) 15.741 14.558 ( -0.690 4.890 3.337) 5.960 14.894 ( 0.902 -1.663 -0.875) 2.084 15.041 ( 6.096 0.173 -5.132) 7.971 15.134 ( -3.508 6.726 -3.190) 8.229 16.486 ( -0.194 0.845 3.170) 3.287 16.565 ( -1.096 0.767 -1.929) 2.348 16.676 ( -3.529 5.122 -6.486) 8.986 16.770 ( 2.951 3.527 -5.117) 6.880 17.789 ( 1.077 -6.071 -3.782) 7.233 17.871 ( 3.055 -3.372 -4.658) 6.512 18.041 ( 3.239 4.472 4.034) 6.838 18.384 ( 5.973 2.298 2.132) 6.745 18.650 ( 2.831 -1.329 -1.832) 3.625 18.778 ( 2.009 3.794 5.252) 6.783 18.969 ( 3.758 -6.422 16.742) 18.321 19.228 ( 0.009 -3.768 -2.708) 4.640 28.244 ( 1.790 3.425 0.349) 3.880 28.408 ( 0.536 3.050 0.605) 3.156 28.509 ( 2.727 -1.983 -0.971) 3.509 28.665 ( 1.736 -0.781 0.859) 2.089 29.849 ( -2.249 2.507 6.333) 7.173 30.008 ( 1.575 10.950 -1.785) 11.206 30.294 ( 5.052 0.142 6.198) 7.998 30.723 ( 9.118 -0.968 3.677) 9.879 30.947 ( 8.322 -0.148 -9.689) 12.773 31.152 ( 10.277 -3.196 -4.886) 11.820 31.539 ( -9.474 0.662 -4.606) 10.555 31.822 ( -12.176 -5.628 2.600) 13.664 32.195 ( -8.749 13.090 6.094) 16.882 32.550 ( -4.976 8.280 2.274) 9.924 33.368 ( -5.171 -8.110 7.062) 11.933 33.997 ( -15.853 -21.895 -17.778) 32.354 ======================= Grid point 175 (90/156) ======================= q-point: (-0.09 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -20.668 25.332 14.578) 35.797 1.700 ( -18.185 26.156 28.498) 42.743 2.504 ( -38.685 25.559 36.892) 59.252 3.348 ( -42.664 -2.647 -7.803) 43.453 3.653 ( -17.802 -1.057 -5.793) 18.751 3.760 ( -11.894 5.594 -9.045) 15.956 4.105 ( -7.318 -24.012 -0.520) 25.108 4.268 ( -16.167 -5.210 6.067) 18.037 4.682 ( -8.776 3.911 -3.784) 10.326 4.767 ( 1.072 0.760 2.682) 2.987 4.961 ( 0.791 -6.792 -0.281) 6.843 5.216 ( -3.877 -2.064 1.881) 4.778 5.418 ( -7.364 8.011 -7.401) 13.160 5.583 ( -7.463 7.994 -6.834) 12.896 5.981 ( 5.384 -1.601 -3.464) 6.599 6.049 ( 5.236 -0.336 -20.830) 21.481 6.362 ( -0.244 -16.489 -2.503) 16.680 6.604 ( -3.517 3.986 4.474) 6.948 6.729 ( 14.132 -5.172 -5.597) 16.056 7.042 ( -6.139 1.215 -9.900) 11.713 7.278 ( 13.941 0.977 9.659) 16.988 7.604 ( 12.690 7.103 -8.145) 16.668 7.802 ( -2.176 -7.409 -1.973) 7.970 7.896 ( -4.486 -2.998 2.207) 5.830 8.174 ( 5.702 3.440 3.265) 7.417 8.406 ( -3.938 6.760 -4.486) 9.018 8.677 ( 12.327 3.426 3.925) 13.382 8.856 ( 10.025 -2.219 8.980) 13.641 9.220 ( -4.230 1.145 4.257) 6.109 9.580 ( 2.195 -0.509 7.808) 8.126 9.945 ( 18.927 -12.328 12.833) 25.979 10.014 ( 10.329 -4.278 4.804) 12.168 10.364 ( 9.338 4.797 3.516) 11.072 10.628 ( -1.437 -10.001 7.656) 12.677 10.815 ( -12.600 -3.372 1.639) 13.146 10.990 ( -13.547 2.672 3.230) 14.181 11.207 ( -2.024 -5.788 5.121) 7.989 11.483 ( -10.373 -3.576 -4.538) 11.874 11.730 ( 9.882 7.783 -13.078) 18.146 12.052 ( -10.737 -1.644 -20.150) 22.892 12.602 ( 5.678 10.128 4.947) 12.621 12.823 ( -3.819 12.069 3.822) 13.224 13.617 ( -2.032 -4.359 -3.401) 5.891 13.826 ( -4.128 -3.036 -3.658) 6.296 13.994 ( -1.545 -0.513 7.436) 7.612 14.186 ( -1.706 -5.843 -2.938) 6.759 14.576 ( -1.721 0.579 3.454) 3.902 14.850 ( -7.281 2.208 -0.368) 7.618 15.022 ( -0.035 -0.302 -3.728) 3.740 15.104 ( 6.790 0.053 -5.596) 8.799 16.518 ( -2.888 0.876 -0.387) 3.043 16.569 ( 1.198 1.187 2.302) 2.853 16.596 ( 2.750 4.263 -2.054) 5.473 16.783 ( 3.901 1.684 -4.382) 6.104 17.759 ( 0.559 -4.401 -3.448) 5.618 17.868 ( 1.935 -1.396 -4.570) 5.155 18.170 ( 4.297 5.892 6.552) 9.804 18.470 ( 1.283 2.557 2.687) 3.925 18.687 ( 4.099 -2.993 -2.633) 5.718 18.860 ( -0.171 3.498 4.966) 6.077 19.119 ( 0.626 -9.246 0.021) 9.267 19.238 ( -1.671 -3.005 2.570) 4.293 28.283 ( 2.090 4.417 -0.203) 4.891 28.396 ( -0.835 3.917 -1.158) 4.169 28.582 ( 4.020 -2.887 1.329) 5.125 28.689 ( 0.243 -0.973 0.185) 1.020 29.872 ( -2.744 3.236 6.039) 7.380 30.026 ( 1.753 11.286 -1.032) 11.468 30.389 ( 1.265 1.437 -2.298) 2.991 30.933 ( 9.065 -3.916 -11.363) 15.054 31.129 ( 17.107 1.146 6.444) 18.316 31.254 ( 6.808 -0.915 -2.839) 7.433 31.341 ( -3.159 0.330 1.067) 3.351 31.644 ( -7.674 -6.255 -2.448) 10.199 32.129 ( -8.898 12.588 1.561) 15.494 32.432 ( -9.507 4.696 -0.302) 10.608 33.323 ( -10.201 -15.264 1.495) 18.420 33.495 ( -14.119 -11.040 0.037) 17.923 ======================= Grid point 176 (91/156) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.253 23.522 14.937) 28.355 2.196 ( -8.885 11.943 21.057) 25.787 2.665 ( -1.479 0.278 -0.758) 1.685 3.102 ( -3.052 5.278 13.186) 14.527 3.495 ( 6.200 1.157 2.896) 6.940 3.630 ( -3.249 -5.931 13.831) 15.395 3.826 ( 0.891 17.946 -14.212) 22.909 4.061 ( -4.036 6.198 5.734) 9.359 4.582 ( 3.607 -10.250 -7.646) 13.287 4.754 ( -0.494 -1.761 -6.801) 7.043 4.817 ( -2.187 0.823 -0.373) 2.366 5.139 ( -3.549 0.657 -3.679) 5.154 5.368 ( -4.561 -1.307 0.052) 4.744 5.500 ( -0.855 0.908 -12.841) 12.901 5.748 ( 2.942 -10.634 -11.969) 16.279 5.942 ( 1.970 -10.870 -8.245) 13.785 6.192 ( 7.339 0.886 3.961) 8.387 6.533 ( -7.117 -5.186 3.552) 9.495 6.761 ( -5.282 1.658 0.088) 5.537 6.937 ( -2.904 3.361 -3.158) 5.450 7.432 ( -8.979 6.401 -2.271) 11.258 7.741 ( -0.359 -6.369 -4.441) 7.773 7.777 ( 8.891 2.693 -0.659) 9.313 7.889 ( 11.392 -2.076 0.598) 11.596 8.395 ( -1.538 8.088 -0.172) 8.235 8.455 ( 2.101 8.838 0.797) 9.119 8.773 ( -2.197 -4.782 -0.671) 5.305 8.972 ( 5.158 -8.779 2.146) 10.406 9.321 ( 2.050 2.946 11.427) 11.977 9.744 ( 7.299 -8.140 8.121) 13.619 9.944 ( -0.210 -9.628 4.084) 10.461 10.052 ( 9.374 -13.106 4.995) 16.869 10.417 ( -8.032 3.299 4.749) 9.897 10.522 ( -0.086 -3.457 6.405) 7.279 10.756 ( -0.079 3.295 -0.854) 3.404 10.923 ( -0.292 2.480 0.265) 2.511 11.032 ( -6.317 -1.624 -0.970) 6.594 11.226 ( -3.551 -6.149 4.644) 8.485 11.773 ( 3.743 8.231 -19.857) 21.819 11.946 ( 10.068 0.954 -15.245) 18.295 12.868 ( -6.462 9.643 7.595) 13.872 13.110 ( 6.833 -0.957 1.084) 6.985 13.485 ( -3.472 1.507 0.529) 3.822 13.677 ( -1.908 -1.836 -3.581) 4.453 14.004 ( -4.385 1.780 3.265) 5.749 14.171 ( 4.633 -3.495 1.861) 6.095 14.605 ( -1.896 2.696 3.491) 4.801 14.707 ( -7.124 -0.542 1.495) 7.299 14.998 ( 0.598 0.689 -2.906) 3.045 15.115 ( 3.052 -2.959 -4.510) 6.198 16.491 ( -3.345 2.839 0.522) 4.418 16.591 ( -0.190 -1.043 0.237) 1.086 16.688 ( 2.296 2.482 -0.492) 3.417 16.806 ( 3.966 -1.770 -3.975) 5.888 17.715 ( 1.114 0.704 -2.791) 3.086 17.802 ( 0.279 -1.999 -4.827) 5.232 18.442 ( 0.710 4.775 3.087) 5.730 18.544 ( -0.600 2.166 2.488) 3.353 18.645 ( -0.670 -1.137 1.278) 1.837 18.806 ( -7.064 -1.632 1.310) 7.368 19.104 ( 2.865 0.821 2.633) 3.976 19.158 ( -1.050 -1.790 1.789) 2.740 28.389 ( 0.502 3.834 1.020) 3.999 28.458 ( -1.096 4.029 -1.112) 4.321 28.582 ( 1.881 -3.045 1.183) 3.770 28.643 ( -0.990 -2.312 -1.001) 2.707 29.970 ( -4.995 5.858 7.260) 10.582 30.170 ( -3.304 -0.840 7.458) 8.201 30.418 ( 0.150 9.034 -11.615) 14.715 30.781 ( 0.628 -7.528 -11.886) 14.083 31.219 ( -0.620 0.133 -0.929) 1.125 31.236 ( -3.362 -0.338 -1.766) 3.813 31.491 ( 3.146 1.847 2.029) 4.174 31.574 ( 8.850 -2.350 1.335) 9.253 32.208 ( 1.372 9.747 -3.735) 10.528 32.307 ( -6.156 3.560 -4.698) 8.524 33.120 ( 6.071 -8.989 10.565) 15.142 33.243 ( -2.996 -10.720 5.252) 12.308 ======================= Grid point 177 (92/156) ======================= q-point: ( 0.09 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 25.826 11.100 20.182) 34.605 2.421 ( 9.457 5.545 20.015) 22.820 2.879 ( 22.884 10.671 -9.545) 26.994 3.301 ( 8.325 -6.737 15.394) 18.753 3.585 ( 8.171 12.067 -20.233) 24.935 3.889 ( 17.987 8.955 8.173) 21.691 3.922 ( 20.270 -1.003 6.366) 21.270 4.178 ( 9.442 -5.316 2.397) 11.098 4.599 ( 6.390 -9.059 -4.193) 11.852 4.703 ( 4.493 3.832 -6.158) 8.532 4.821 ( 1.556 3.770 1.966) 4.528 5.053 ( -0.639 2.375 -1.815) 3.057 5.278 ( -3.128 -1.426 -1.343) 3.691 5.402 ( 0.883 -0.633 -6.055) 6.152 5.676 ( 2.776 -4.724 -12.023) 13.212 5.908 ( 6.377 -8.486 -7.998) 13.291 6.370 ( 0.253 -9.741 3.631) 10.399 6.493 ( -4.149 11.958 12.465) 17.765 6.549 ( -7.640 -6.677 -10.010) 14.253 6.942 ( 1.146 -3.175 6.365) 7.205 7.201 ( -12.427 11.875 0.699) 17.202 7.650 ( -3.646 -7.559 -6.740) 10.764 7.811 ( -1.059 2.626 -6.402) 7.000 8.087 ( 9.439 -3.050 -2.037) 10.126 8.347 ( -3.580 7.445 1.451) 8.387 8.513 ( 3.614 11.389 -2.459) 12.199 8.679 ( -10.380 -6.888 5.429) 13.589 8.974 ( -1.512 -6.479 -3.029) 7.311 9.533 ( 4.305 -1.469 11.968) 12.804 9.877 ( -7.920 -5.757 0.159) 9.792 9.909 ( 0.384 -7.036 6.217) 9.397 10.052 ( -8.328 -9.395 -3.826) 13.125 10.358 ( -3.219 3.988 1.711) 5.404 10.571 ( 1.888 -1.773 1.781) 3.143 10.784 ( 0.568 -0.467 2.445) 2.553 10.951 ( 6.475 -6.659 -4.970) 10.534 11.063 ( 7.327 6.166 5.045) 10.824 11.324 ( 5.379 -6.710 5.257) 10.079 11.713 ( 9.627 9.141 -13.493) 18.929 11.990 ( 11.906 -2.636 -14.332) 18.817 12.771 ( -11.413 10.158 6.599) 16.643 13.186 ( -0.583 -9.651 0.129) 9.669 13.457 ( -0.738 2.557 1.066) 2.867 13.643 ( 0.750 -1.974 -0.442) 2.157 13.901 ( -8.182 5.675 1.032) 10.011 14.257 ( 0.672 -6.099 3.669) 7.149 14.605 ( -3.583 3.201 2.655) 5.490 14.659 ( 1.331 1.108 2.338) 2.910 14.968 ( 0.224 1.701 -3.306) 3.724 15.120 ( 2.085 -2.898 -3.268) 4.840 16.469 ( 0.690 3.707 0.928) 3.884 16.599 ( 0.798 -1.763 0.131) 1.940 16.725 ( 2.816 2.636 -1.349) 4.087 16.834 ( 3.447 -0.972 -3.805) 5.226 17.683 ( -1.925 -0.410 -1.833) 2.689 17.734 ( -2.409 -1.469 -4.153) 5.021 18.408 ( -7.751 3.732 3.105) 9.146 18.546 ( -1.021 1.258 0.338) 1.654 18.596 ( -5.871 3.114 2.550) 7.118 18.740 ( -4.183 -4.062 4.711) 7.496 19.102 ( -1.821 3.874 1.365) 4.493 19.240 ( 5.250 -2.292 0.532) 5.753 28.400 ( -0.772 4.232 1.585) 4.585 28.421 ( -1.616 4.331 -0.899) 4.710 28.592 ( -2.032 -2.224 -0.764) 3.108 28.626 ( 0.649 -3.533 0.270) 3.602 29.938 ( -6.517 6.283 6.252) 11.002 30.182 ( -5.051 -3.367 8.336) 10.312 30.313 ( -0.498 8.605 -5.496) 10.223 30.641 ( -3.550 -6.738 -6.663) 10.120 31.129 ( -7.957 3.270 -2.046) 8.842 31.248 ( 1.109 -3.197 -0.539) 3.427 31.489 ( 0.758 1.476 -1.901) 2.523 31.574 ( -3.368 -2.306 -2.988) 5.059 32.351 ( 15.760 10.347 -2.915) 19.077 32.395 ( 14.371 8.569 1.685) 16.817 33.204 ( -3.717 -7.774 3.343) 9.243 33.383 ( 11.770 -16.829 2.187) 20.653 ======================= Grid point 178 (93/156) ======================= q-point: ( 0.18 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.088 4.616 26.032) 26.439 2.871 ( 3.422 -1.264 6.046) 7.062 2.960 ( 13.075 24.053 -6.900) 28.234 3.582 ( 14.169 15.831 -17.372) 27.444 3.771 ( 20.457 -8.052 9.138) 23.808 4.245 ( 11.704 -5.683 -7.676) 15.106 4.364 ( 6.743 -17.292 14.377) 23.477 4.466 ( 30.464 -4.064 4.412) 31.049 4.779 ( 14.808 0.337 -4.480) 15.474 4.834 ( 15.805 0.311 -5.993) 16.906 4.953 ( 9.244 6.797 4.144) 12.199 5.103 ( 9.156 2.833 -0.860) 9.622 5.259 ( 2.501 0.290 0.426) 2.554 5.435 ( 8.119 1.969 3.697) 9.136 5.674 ( 11.684 -3.932 -4.077) 12.985 6.039 ( 15.379 -3.432 -6.262) 16.955 6.188 ( -7.869 2.864 -12.866) 15.351 6.353 ( -2.347 -6.285 3.340) 7.494 6.734 ( 3.785 4.557 14.864) 16.001 7.009 ( -3.276 1.836 -0.199) 3.761 7.087 ( -2.669 2.334 8.105) 8.846 7.476 ( -7.354 -8.815 -3.742) 12.074 7.673 ( -0.740 8.409 -12.146) 14.791 8.115 ( -3.228 -5.546 -5.859) 8.689 8.301 ( -1.831 6.076 0.920) 6.412 8.509 ( -7.716 0.171 3.595) 8.515 8.563 ( -2.872 4.861 1.332) 5.801 8.925 ( 1.486 -6.257 -4.655) 7.939 9.637 ( -3.476 5.226 -2.298) 6.684 9.704 ( -6.867 -5.139 3.313) 9.195 9.811 ( -12.381 -3.650 -2.801) 13.209 9.941 ( -1.823 -5.288 1.173) 5.715 10.325 ( 0.593 1.390 -3.241) 3.576 10.610 ( 0.750 -6.679 0.325) 6.729 10.778 ( -2.276 1.533 1.822) 3.294 11.070 ( 5.309 -5.969 1.566) 8.141 11.246 ( 7.406 7.272 1.541) 10.494 11.486 ( 8.894 -6.249 1.355) 10.954 11.806 ( 11.781 5.982 -7.322) 15.106 12.046 ( 8.833 -3.392 -10.069) 13.817 12.640 ( -9.951 5.831 4.734) 12.468 13.071 ( -11.971 -12.592 0.160) 17.375 13.469 ( -0.393 2.617 2.329) 3.525 13.652 ( -3.223 -7.253 2.981) 8.478 13.829 ( 0.413 9.440 2.421) 9.754 14.263 ( -2.663 -9.194 1.156) 9.642 14.596 ( -0.750 6.000 3.893) 7.191 14.729 ( 2.409 0.040 3.552) 4.293 14.960 ( 2.595 5.176 -2.604) 6.348 15.124 ( 1.775 -0.236 -1.680) 2.455 16.533 ( 4.620 2.566 0.974) 5.374 16.612 ( 0.580 -0.192 -0.569) 0.835 16.759 ( 3.524 2.630 -2.706) 5.163 16.840 ( 2.421 0.394 -4.896) 5.476 17.604 ( -5.481 -0.413 -1.689) 5.750 17.643 ( -2.783 -3.333 -2.104) 4.825 18.280 ( -9.181 7.025 3.488) 12.075 18.518 ( -6.153 2.767 1.378) 6.885 18.528 ( -0.484 -0.848 -0.662) 1.179 18.720 ( -4.364 -6.908 6.263) 10.295 19.078 ( -2.289 5.946 0.269) 6.377 19.313 ( 2.562 -4.393 -0.949) 5.173 28.378 ( -1.685 3.448 -0.606) 3.885 28.408 ( -0.735 3.728 1.684) 4.157 28.535 ( -2.617 -1.012 -1.450) 3.159 28.634 ( -0.420 -3.904 0.321) 3.939 29.883 ( -6.329 6.313 5.498) 10.495 30.159 ( -6.494 -5.821 7.333) 11.394 30.297 ( 1.660 7.203 -0.502) 7.409 30.537 ( -2.704 -4.593 -2.375) 5.835 30.906 ( -12.225 4.204 -2.967) 13.264 31.077 ( -13.950 -3.805 -5.737) 15.556 31.557 ( 7.277 -2.823 -2.608) 8.230 31.611 ( 9.042 -4.745 -0.723) 10.237 32.608 ( 11.522 13.358 0.769) 17.658 32.719 ( 17.287 16.542 3.611) 24.198 33.199 ( 1.636 -9.379 2.453) 9.831 33.591 ( 12.812 -18.694 -4.260) 23.060 ======================= Grid point 179 (94/156) ======================= q-point: ( 0.27 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -0.501 17.050 -17.178) 24.208 2.874 ( -11.961 3.269 31.680) 34.021 3.298 ( 7.448 7.792 13.221) 17.058 3.674 ( 16.481 9.109 -16.320) 24.919 3.999 ( 3.466 -8.584 1.871) 9.445 4.331 ( -2.063 0.088 10.417) 10.620 4.526 ( -5.691 -19.448 1.744) 20.338 4.690 ( 2.536 -2.171 -0.125) 3.341 4.876 ( -3.169 -1.935 1.863) 4.155 5.156 ( 12.500 -0.522 -0.663) 12.529 5.195 ( 24.120 -3.635 -0.839) 24.407 5.275 ( 3.430 -7.393 -3.084) 8.714 5.572 ( 18.572 1.795 7.944) 20.279 5.756 ( 13.109 -3.949 9.367) 16.589 5.975 ( 18.303 10.194 0.409) 20.954 6.086 ( 22.742 5.030 -11.443) 25.951 6.401 ( 19.145 -1.484 2.851) 19.413 6.433 ( 20.755 -3.708 -7.353) 22.330 6.846 ( -3.998 9.547 3.007) 10.778 6.946 ( -5.502 5.670 -2.527) 8.295 7.104 ( 3.642 1.866 6.665) 7.820 7.448 ( 3.242 -5.273 4.618) 7.723 7.607 ( 8.267 7.344 -10.545) 15.280 7.914 ( -9.099 -5.664 -4.854) 11.765 8.267 ( -3.004 1.925 -2.339) 4.266 8.363 ( -8.947 -3.206 2.654) 9.867 8.594 ( 2.916 9.398 1.089) 9.900 8.932 ( 4.366 -6.981 -4.237) 9.260 9.470 ( -7.089 3.586 -2.413) 8.303 9.535 ( -11.850 2.303 -3.318) 12.519 9.680 ( -4.673 -2.456 0.755) 5.333 9.882 ( -3.894 -3.326 -2.620) 5.752 10.303 ( 1.740 3.343 -5.586) 6.739 10.619 ( -0.308 -8.198 0.734) 8.237 10.741 ( -2.660 2.686 -0.382) 3.799 11.133 ( 1.654 -7.105 -1.072) 7.373 11.373 ( 3.536 8.199 5.504) 10.489 11.651 ( 10.075 -7.262 -3.210) 12.828 11.901 ( 4.542 1.675 -5.166) 7.080 12.071 ( 0.556 -4.278 -3.190) 5.365 12.508 ( -8.893 0.856 2.508) 9.280 12.815 ( -15.768 -10.832 0.788) 19.146 13.465 ( -3.711 2.753 2.650) 5.327 13.616 ( -2.585 -5.842 2.663) 6.921 13.923 ( 3.862 3.223 3.891) 6.360 14.208 ( -2.572 -9.046 -1.504) 9.524 14.660 ( 2.063 8.819 5.061) 10.375 14.810 ( 1.914 0.123 3.416) 3.918 14.999 ( 3.983 8.213 -1.556) 9.260 15.171 ( 3.632 2.373 2.001) 4.778 16.593 ( -0.104 2.001 -0.291) 2.025 16.632 ( 3.501 0.479 -0.329) 3.549 16.796 ( 4.757 2.019 -4.165) 6.637 16.826 ( 2.745 1.298 -5.198) 6.020 17.470 ( -6.747 0.886 -1.294) 6.927 17.595 ( -1.798 -6.068 0.218) 6.333 18.170 ( -6.543 6.277 2.097) 9.306 18.392 ( -7.945 -0.158 -0.580) 7.967 18.528 ( 0.559 0.522 0.406) 0.866 18.720 ( -3.732 -6.620 6.787) 10.189 19.023 ( -2.950 6.728 -1.490) 7.496 19.305 ( -0.556 -6.250 -3.358) 7.117 28.346 ( -0.774 2.498 -1.042) 2.815 28.411 ( -1.072 0.919 1.259) 1.891 28.475 ( -2.019 1.503 -1.354) 2.858 28.617 ( -1.504 -3.537 -0.098) 3.845 29.837 ( -5.342 6.104 5.530) 9.817 30.124 ( -5.659 -6.345 6.705) 10.828 30.330 ( 1.718 4.656 -0.175) 4.966 30.479 ( -1.530 -2.261 -2.314) 3.579 30.679 ( -10.353 1.677 -0.221) 10.490 30.776 ( -10.961 -2.364 -5.420) 12.455 31.633 ( 3.624 -2.622 -2.083) 4.934 31.761 ( 4.920 -8.342 2.466) 9.994 32.799 ( 10.487 15.300 -0.981) 18.575 32.980 ( 8.926 18.535 1.054) 20.599 33.365 ( 11.142 -10.753 5.343) 16.381 33.756 ( 12.041 -16.273 -6.157) 21.159 ======================= Grid point 180 (95/156) ======================= q-point: ( 0.36 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 4.387 19.545 -2.617) 20.201 2.965 ( -15.074 5.531 31.023) 34.932 3.470 ( 3.686 -1.122 2.586) 4.640 3.834 ( 9.962 -5.741 -1.216) 11.562 4.042 ( 3.089 4.488 -2.941) 6.192 4.382 ( -4.928 2.010 6.402) 8.325 4.467 ( 3.242 -2.444 11.190) 11.904 4.743 ( -4.162 -8.078 -3.328) 9.677 4.853 ( 1.078 -13.856 6.452) 15.322 5.077 ( -14.367 -11.591 -1.186) 18.497 5.364 ( 7.298 -0.665 -1.180) 7.423 5.448 ( 4.544 -5.279 -1.076) 7.048 5.789 ( 4.898 0.331 7.848) 9.257 5.976 ( 3.163 -6.186 9.275) 11.588 6.219 ( 7.311 11.474 -8.519) 16.053 6.537 ( 17.301 -0.085 3.820) 17.718 6.596 ( 5.942 6.713 -8.445) 12.316 6.698 ( -5.769 6.539 -7.787) 11.691 6.968 ( 23.714 5.202 -2.993) 24.461 7.003 ( 31.954 3.287 0.063) 32.123 7.369 ( 10.556 4.073 8.653) 14.244 7.560 ( -0.979 0.207 1.331) 1.665 7.668 ( 12.194 2.463 -3.548) 12.936 7.875 ( 12.289 -4.524 -6.292) 14.529 8.164 ( -1.965 1.445 -3.392) 4.178 8.289 ( -2.424 0.762 1.718) 3.068 8.658 ( 1.823 11.463 1.269) 11.677 8.977 ( 4.229 -7.380 -2.164) 8.776 9.294 ( -11.546 2.804 -2.350) 12.112 9.389 ( -3.392 1.870 4.218) 5.727 9.592 ( -4.038 -0.018 -0.627) 4.087 9.744 ( -6.178 -2.157 -6.092) 8.941 10.259 ( -0.298 4.923 -5.012) 7.032 10.603 ( -2.108 -6.287 -0.219) 6.634 10.702 ( 2.845 0.667 -5.236) 5.996 11.125 ( 1.139 -9.125 -4.224) 10.119 11.480 ( -1.002 6.829 8.389) 10.863 11.777 ( 9.049 -6.457 -4.725) 12.078 11.841 ( -5.360 -0.539 -2.994) 6.163 11.967 ( -8.506 -7.077 -0.644) 11.084 12.405 ( -4.199 -4.765 0.338) 6.361 12.554 ( -13.893 -8.251 0.210) 16.160 13.409 ( -4.854 4.659 3.137) 7.424 13.619 ( -0.465 -5.011 1.825) 5.353 13.999 ( 1.181 -0.218 0.988) 1.555 14.153 ( -1.622 -6.909 -2.008) 7.376 14.751 ( 1.965 9.756 3.976) 10.717 14.864 ( 1.333 1.002 1.792) 2.448 15.060 ( 3.790 10.238 -0.472) 10.927 15.254 ( 0.876 4.286 2.693) 5.137 16.603 ( 1.413 1.863 1.426) 2.738 16.671 ( 2.022 -0.197 -0.007) 2.032 16.840 ( 4.260 1.197 -3.863) 5.874 16.845 ( 4.979 0.843 -3.459) 6.121 17.364 ( -4.061 2.096 0.646) 4.616 17.579 ( -0.562 -7.251 0.661) 7.302 18.086 ( -4.198 3.974 -0.041) 5.781 18.236 ( -7.802 -0.803 -1.779) 8.042 18.554 ( 1.172 1.074 1.378) 2.104 18.725 ( -4.182 -5.565 7.071) 9.923 18.952 ( -2.270 6.600 -2.788) 7.516 19.242 ( -0.671 -6.978 -5.297) 8.786 28.328 ( 0.128 1.220 -1.513) 1.948 28.376 ( -2.323 -1.084 -1.537) 2.989 28.457 ( 0.072 3.113 0.699) 3.191 28.582 ( -1.863 -2.738 -0.475) 3.345 29.812 ( -4.390 5.638 5.884) 9.257 30.099 ( -4.813 -6.754 5.718) 10.074 30.342 ( 1.378 3.136 -2.337) 4.147 30.428 ( 0.348 -0.462 -4.218) 4.258 30.549 ( -6.700 0.190 3.864) 7.737 30.604 ( -4.892 -1.682 -0.428) 5.191 31.651 ( 0.680 -1.821 -0.585) 2.030 31.821 ( -1.130 -9.483 2.817) 9.957 32.961 ( 9.524 14.968 -2.945) 17.984 33.106 ( 6.120 13.885 -1.716) 15.270 33.608 ( 6.998 -7.257 6.432) 11.959 33.889 ( 9.959 -13.341 -5.711) 17.601 ======================= Grid point 181 (96/156) ======================= q-point: ( 0.45 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -1.044 13.590 17.022) 21.806 3.047 ( -5.346 9.357 23.292) 25.665 3.575 ( 5.428 -3.683 5.457) 8.532 3.892 ( -0.331 -4.967 -0.103) 4.979 4.114 ( 0.170 7.614 -1.134) 7.700 4.444 ( -6.813 3.071 2.309) 7.822 4.462 ( -6.155 -8.332 0.776) 10.388 4.696 ( 6.900 -2.470 2.959) 7.904 4.885 ( -1.833 -16.640 3.947) 17.200 4.999 ( 5.051 -14.171 7.123) 16.645 5.416 ( -0.347 -2.846 -0.419) 2.898 5.474 ( -1.724 -4.987 3.179) 6.160 5.913 ( 1.948 3.449 4.335) 5.873 6.114 ( 1.992 -5.985 4.354) 7.665 6.200 ( -0.569 8.127 -5.722) 9.956 6.423 ( -1.525 10.507 -8.506) 13.605 6.543 ( -1.341 0.834 -8.298) 8.447 6.746 ( 3.646 -1.474 -2.102) 4.460 7.243 ( -0.064 7.532 5.759) 9.482 7.460 ( -4.154 -1.108 1.097) 4.437 7.490 ( 18.473 1.629 -4.576) 19.101 7.668 ( 8.688 -2.408 -2.069) 9.250 7.917 ( 20.268 5.534 -4.869) 21.566 8.092 ( 10.850 7.661 3.069) 13.632 8.189 ( 8.034 3.192 -3.324) 9.262 8.285 ( -2.892 3.014 3.495) 5.446 8.648 ( -5.994 13.394 2.602) 14.903 9.015 ( -1.444 -6.151 3.127) 7.050 9.091 ( -5.114 1.794 -5.287) 7.571 9.354 ( -10.469 -4.878 7.018) 13.515 9.552 ( -0.265 0.472 -4.613) 4.645 9.607 ( 3.322 -0.041 -3.704) 4.975 10.198 ( -0.896 5.569 -2.880) 6.333 10.557 ( 1.176 -1.526 -5.587) 5.910 10.742 ( 7.640 -2.945 -5.919) 10.103 11.097 ( 3.150 -9.065 -7.266) 12.037 11.477 ( -7.418 1.893 6.539) 10.068 11.667 ( -14.231 -0.775 4.721) 15.014 11.853 ( 3.837 -4.504 -3.906) 7.090 11.922 ( 9.259 -8.703 -3.550) 13.194 12.310 ( -9.833 -6.203 0.186) 11.628 12.373 ( -2.134 -8.502 -1.734) 8.935 13.386 ( -2.078 6.015 4.469) 7.776 13.625 ( -0.634 -4.392 0.729) 4.497 13.988 ( -1.875 -0.083 -1.287) 2.276 14.100 ( -1.508 -5.096 -2.650) 5.938 14.795 ( -1.697 9.684 3.353) 10.388 14.905 ( 1.733 1.127 0.816) 2.222 15.107 ( 1.559 9.339 -0.190) 9.470 15.229 ( -3.778 5.629 -1.201) 6.885 16.660 ( 1.512 2.304 3.370) 4.353 16.738 ( 1.864 -0.287 3.429) 3.914 16.860 ( 2.084 1.885 -2.096) 3.506 16.918 ( 6.675 -0.786 -2.837) 7.295 17.352 ( 0.875 1.913 2.389) 3.183 17.595 ( 2.179 -6.989 0.143) 7.322 18.019 ( -2.067 1.365 -1.981) 3.172 18.086 ( -6.142 -0.875 -2.418) 6.659 18.592 ( 0.638 1.120 2.435) 2.755 18.719 ( -5.175 -4.198 7.423) 9.975 18.888 ( -0.803 6.502 -3.844) 7.596 19.186 ( 1.396 -7.271 -6.053) 9.563 28.310 ( -0.942 0.286 -1.708) 1.972 28.326 ( -0.052 -0.297 -2.133) 2.154 28.474 ( 0.606 1.558 0.918) 1.907 28.547 ( -1.116 -1.836 -0.735) 2.270 29.804 ( -3.744 4.793 6.226) 8.704 30.071 ( -3.589 -6.789 3.273) 8.348 30.340 ( 0.361 3.166 -1.292) 3.438 30.434 ( 4.033 -0.574 -1.997) 4.536 30.495 ( -3.938 1.204 3.603) 5.472 30.573 ( 0.930 -1.867 0.847) 2.252 31.671 ( 1.612 -2.607 1.268) 3.317 31.801 ( -3.132 -8.224 1.590) 8.942 33.057 ( 4.250 13.512 -2.917) 14.462 33.152 ( 1.762 11.795 -3.508) 12.431 33.721 ( -1.819 -4.689 5.720) 7.617 33.988 ( 7.556 -12.516 -4.953) 15.437 ======================= Grid point 182 (97/156) ======================= q-point: (-0.45 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -18.623 14.755 23.948) 33.735 3.314 ( 7.444 0.584 16.191) 17.829 3.662 ( -20.728 7.953 1.792) 22.274 3.857 ( 5.087 -4.067 -0.674) 6.547 3.990 ( 3.452 0.764 2.293) 4.214 4.242 ( -5.178 -8.341 -4.202) 10.679 4.569 ( 8.905 -0.063 3.078) 9.422 4.902 ( 3.389 -4.180 7.510) 9.239 4.985 ( 4.391 -7.414 3.940) 9.475 5.146 ( 4.789 -16.373 -0.406) 17.063 5.377 ( -3.042 -2.901 1.978) 4.646 5.486 ( -1.968 -1.156 8.618) 8.915 5.931 ( -1.637 4.953 -2.669) 5.859 6.072 ( -0.578 3.487 5.157) 6.252 6.245 ( 3.770 -1.353 0.603) 4.050 6.358 ( -0.226 -6.113 -10.961) 12.553 6.532 ( 10.377 5.045 -4.105) 12.247 6.694 ( -2.668 -1.158 -8.598) 9.077 7.172 ( -13.189 5.388 0.321) 14.251 7.319 ( -10.811 1.262 0.561) 10.898 7.541 ( -12.927 3.212 -3.253) 13.712 7.662 ( 1.912 -1.374 -3.084) 3.880 7.993 ( -12.709 10.897 -0.752) 16.758 8.166 ( -15.323 5.990 3.992) 16.929 8.213 ( -2.287 7.660 2.024) 8.246 8.367 ( 10.041 3.925 -0.475) 10.791 8.628 ( 4.040 5.065 5.450) 8.466 8.952 ( -5.649 -3.396 -6.398) 9.186 9.043 ( 1.643 -1.349 2.998) 3.675 9.213 ( -6.560 -8.350 2.824) 10.988 9.569 ( 7.387 2.767 -5.110) 9.399 9.693 ( 6.404 -1.065 -0.953) 6.561 10.195 ( 2.272 9.200 -0.638) 9.497 10.534 ( 3.949 2.602 -7.382) 8.767 10.794 ( 4.444 -3.773 -6.371) 8.636 11.099 ( 7.430 -8.079 -11.492) 15.891 11.423 ( -7.880 -2.430 6.975) 10.800 11.543 ( -1.322 -4.205 7.701) 8.873 11.922 ( 6.863 0.137 -2.832) 7.426 12.092 ( 13.112 -7.808 -5.461) 16.208 12.165 ( -6.426 -3.203 2.333) 7.549 12.354 ( 1.772 -11.490 -1.206) 11.689 13.424 ( 0.072 4.975 5.318) 7.283 13.612 ( -0.668 -2.267 -0.702) 2.465 13.924 ( -3.969 0.351 0.327) 3.998 14.048 ( -0.728 -4.976 -2.982) 5.847 14.766 ( -5.176 9.469 3.318) 11.290 14.934 ( -0.429 -0.476 1.282) 1.433 15.110 ( -0.213 8.244 -1.115) 8.321 15.164 ( -0.623 5.065 -0.457) 5.123 16.696 ( -2.481 1.875 3.025) 4.338 16.746 ( -3.751 -0.253 1.691) 4.122 16.887 ( 2.494 4.011 -1.166) 4.864 17.004 ( 5.241 0.543 -2.830) 5.981 17.437 ( 4.722 -0.295 3.173) 5.697 17.667 ( 6.601 -6.863 -1.703) 9.673 17.969 ( -1.895 -0.329 -0.934) 2.139 17.987 ( -0.941 -0.988 -2.499) 2.847 18.622 ( -1.062 0.815 3.587) 3.829 18.700 ( -5.903 -2.949 7.756) 10.183 18.844 ( 1.129 6.976 -4.676) 8.474 19.163 ( 3.258 -7.540 -6.161) 10.267 28.273 ( -0.791 1.045 -1.304) 1.848 28.318 ( 1.131 -0.874 -1.830) 2.322 28.495 ( 0.603 0.396 0.857) 1.121 28.533 ( 0.608 -1.233 -0.961) 1.677 29.812 ( -3.066 4.037 6.687) 8.391 30.052 ( -1.441 -6.238 2.161) 6.758 30.310 ( -2.294 4.378 -1.337) 5.120 30.444 ( -1.681 -0.756 1.768) 2.554 30.569 ( 8.496 1.315 0.671) 8.623 30.648 ( 6.724 -1.928 -0.583) 7.019 31.736 ( 2.470 -4.769 2.567) 5.952 31.761 ( -1.434 -5.494 0.213) 5.682 33.028 ( -5.055 11.247 -1.956) 12.485 33.099 ( -2.718 12.328 -3.814) 13.188 33.675 ( -9.009 -2.193 4.668) 10.381 34.047 ( 4.107 -14.212 -3.980) 15.319 ======================= Grid point 183 (98/156) ======================= q-point: (-0.36 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -22.138 20.910 15.514) 34.176 3.136 ( -26.106 14.713 -6.869) 30.744 3.541 ( -2.578 -14.981 13.472) 20.312 3.787 ( -8.965 -10.789 -1.632) 14.122 4.242 ( 9.260 0.227 10.405) 13.931 4.338 ( 11.899 1.069 3.256) 12.383 4.785 ( 9.925 -0.020 3.670) 10.581 4.893 ( -6.951 -2.250 -5.638) 9.229 5.000 ( -3.474 -6.216 2.974) 7.717 5.178 ( 6.246 -7.654 -3.932) 10.632 5.349 ( -6.251 0.780 1.691) 6.523 5.679 ( 10.236 4.039 12.086) 16.345 5.882 ( -6.546 -2.694 1.416) 7.218 6.125 ( -1.391 -5.989 -3.957) 7.312 6.271 ( 6.490 0.793 0.949) 6.606 6.323 ( 1.292 0.707 -3.498) 3.795 6.433 ( -19.023 5.717 -5.663) 20.655 6.659 ( -5.013 -1.545 -8.412) 9.914 6.754 ( -18.635 3.029 3.470) 19.196 7.026 ( -23.687 -7.103 1.182) 24.757 7.300 ( -5.860 2.863 -0.990) 6.596 7.426 ( -26.554 1.244 -0.715) 26.593 7.764 ( -7.535 10.698 -0.839) 13.112 7.920 ( -5.815 4.231 -2.601) 7.648 8.217 ( 0.231 3.242 1.485) 3.573 8.406 ( -2.611 0.384 -1.035) 2.834 8.733 ( 0.773 3.366 -1.102) 3.625 8.811 ( -3.018 -2.502 -1.943) 4.375 9.123 ( 3.940 -2.222 2.397) 5.120 9.213 ( 1.673 -4.660 1.967) 5.328 9.646 ( 5.765 3.640 -4.599) 8.224 9.786 ( 4.412 -0.580 -0.931) 4.546 10.235 ( 1.983 10.299 1.106) 10.546 10.533 ( 3.345 5.067 -5.592) 8.254 10.788 ( 3.250 -4.029 -5.925) 7.868 11.070 ( 1.662 -8.360 -8.453) 12.004 11.406 ( -0.386 2.948 5.468) 6.224 11.749 ( 10.676 -11.362 6.274) 16.806 11.942 ( -1.548 4.839 -3.638) 6.249 12.170 ( 3.654 -2.703 -6.388) 7.840 12.206 ( 7.360 -3.371 3.028) 8.643 12.476 ( 11.058 -11.744 1.575) 16.207 13.489 ( 0.786 2.997 4.749) 5.670 13.604 ( 1.558 0.234 -0.909) 1.819 13.869 ( -4.616 -0.476 3.831) 6.017 14.021 ( 0.819 -6.126 -1.795) 6.436 14.706 ( -4.901 8.242 3.588) 10.239 14.909 ( -3.537 -2.301 1.890) 4.624 15.105 ( 1.008 6.927 -2.407) 7.402 15.191 ( 1.288 4.140 3.438) 5.533 16.630 ( -6.040 1.026 0.634) 6.159 16.679 ( -4.689 -1.013 0.671) 4.843 16.891 ( -0.275 5.608 -2.384) 6.100 17.020 ( 1.616 2.057 -5.908) 6.461 17.559 ( 5.367 -2.145 1.710) 6.027 17.750 ( 7.351 -6.776 -8.188) 12.923 17.978 ( 2.665 -0.241 -0.580) 2.738 18.007 ( 3.389 -0.637 5.667) 6.634 18.631 ( -2.512 0.688 4.361) 5.080 18.683 ( -5.031 -1.946 7.894) 9.561 18.831 ( 2.465 7.122 -3.889) 8.481 19.159 ( 3.235 -7.613 -5.969) 10.200 28.258 ( 0.270 1.862 -0.519) 1.952 28.329 ( 1.886 -1.015 -0.880) 2.316 28.507 ( 0.436 0.128 -0.379) 0.591 28.552 ( 2.012 -1.137 -0.063) 2.312 29.838 ( -2.335 3.964 7.162) 8.512 30.068 ( -0.459 -5.652 3.710) 6.776 30.249 ( -0.963 7.107 -3.269) 7.882 30.460 ( 1.871 -1.997 1.300) 3.030 30.751 ( 10.667 -0.098 -0.021) 10.668 30.774 ( 9.334 -1.297 -3.745) 10.141 31.722 ( -0.972 -1.628 -1.067) 2.175 31.831 ( 2.315 -7.086 3.038) 8.050 32.851 ( -11.916 11.153 -0.937) 16.349 32.986 ( -6.040 12.167 -1.900) 13.716 33.519 ( -13.506 -0.821 4.585) 14.287 34.033 ( -1.433 -17.852 -4.159) 18.386 ======================= Grid point 184 (99/156) ======================= q-point: (-0.27 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -21.464 27.055 5.705) 35.004 2.656 ( -21.827 20.606 0.725) 30.026 3.546 ( -10.569 -9.822 8.600) 16.797 3.636 ( -10.490 -24.157 8.382) 27.638 4.395 ( -3.070 2.487 3.742) 5.442 4.501 ( -0.000 2.634 -2.431) 3.584 4.692 ( -6.026 -2.254 -4.001) 7.576 4.894 ( -5.024 -3.631 2.070) 6.536 4.909 ( -3.915 -0.608 -6.061) 7.242 5.052 ( -25.017 15.073 -2.084) 29.281 5.386 ( 5.406 -9.510 3.528) 11.494 5.556 ( -28.356 -1.085 -2.741) 28.509 5.819 ( -14.494 2.497 -5.165) 15.588 5.955 ( -9.301 2.972 4.780) 10.871 6.043 ( 3.794 -3.476 -9.051) 10.411 6.288 ( -8.169 -3.172 12.424) 15.203 6.350 ( -8.202 6.425 -10.185) 14.570 6.410 ( -3.761 2.798 8.956) 10.109 6.604 ( -2.116 -8.717 -1.135) 9.041 6.687 ( -18.500 -4.211 -1.211) 19.012 7.034 ( -5.368 1.235 2.775) 6.167 7.359 ( 8.206 -10.866 2.552) 13.854 7.720 ( 5.601 7.341 -5.263) 10.628 7.877 ( 4.241 3.265 -6.116) 8.127 8.223 ( -0.510 4.328 -0.130) 4.360 8.378 ( 0.868 0.534 0.184) 1.036 8.662 ( -0.302 3.809 -7.245) 8.191 8.761 ( -3.882 0.763 0.833) 4.043 9.205 ( 1.180 -3.631 2.882) 4.783 9.277 ( 1.940 -5.130 4.616) 7.168 9.656 ( 1.515 4.062 -5.516) 7.016 9.821 ( 1.289 -0.373 -0.985) 1.665 10.298 ( 0.878 8.898 5.042) 10.265 10.524 ( 1.464 5.628 -3.534) 6.805 10.796 ( 2.742 -6.843 -2.426) 7.761 11.002 ( -0.474 -8.618 -6.525) 10.820 11.462 ( -2.009 5.428 5.171) 7.761 11.849 ( -7.345 -4.123 2.412) 8.762 11.885 ( 3.414 3.515 -7.228) 8.733 12.226 ( 11.174 -5.934 -6.587) 14.264 12.399 ( 8.982 3.308 3.459) 10.178 12.693 ( 9.203 -7.616 3.043) 12.327 13.548 ( 1.783 1.143 2.257) 3.095 13.660 ( 4.200 -1.255 0.774) 4.452 13.846 ( -3.895 -0.262 6.779) 7.823 14.040 ( 2.279 -7.687 -0.445) 8.030 14.680 ( -3.023 6.332 4.447) 8.307 14.868 ( -3.346 -2.770 2.049) 4.802 15.076 ( 0.096 5.050 -3.980) 6.430 15.245 ( -1.224 1.077 3.988) 4.308 16.536 ( -4.548 1.539 1.013) 4.907 16.606 ( -3.204 -1.295 -0.118) 3.458 16.835 ( -1.929 4.498 -3.604) 6.078 16.943 ( -0.845 2.285 -8.782) 9.114 17.651 ( 4.832 -2.661 -1.852) 5.819 17.777 ( 6.702 -4.829 -8.776) 12.052 18.044 ( 3.991 3.681 2.454) 5.958 18.198 ( 8.776 -1.968 6.314) 10.989 18.634 ( -1.603 0.948 3.169) 3.676 18.704 ( -2.832 -1.960 9.904) 10.485 18.848 ( 2.491 5.883 -1.015) 6.469 19.144 ( 1.594 -7.214 -4.870) 8.849 28.272 ( 1.407 2.678 0.203) 3.032 28.370 ( 2.946 -1.233 0.419) 3.221 28.506 ( 0.487 1.291 -1.181) 1.816 28.594 ( 2.242 -1.702 0.504) 2.859 29.879 ( -2.008 4.265 7.492) 8.851 30.098 ( -2.775 -5.200 6.130) 8.504 30.248 ( 6.962 10.647 -4.665) 13.549 30.540 ( 6.068 -3.285 0.145) 6.902 30.879 ( 8.313 -0.158 -5.588) 10.018 30.934 ( 11.294 -2.531 -3.678) 12.145 31.686 ( -1.871 1.152 -2.238) 3.136 31.848 ( -4.322 -6.457 1.867) 7.991 32.628 ( -12.223 13.337 1.673) 18.168 32.872 ( -5.417 12.006 0.668) 13.188 33.311 ( -14.919 -4.153 5.169) 16.326 33.882 ( -10.057 -22.054 -6.208) 25.021 ======================= Grid point 185 (100/156) ======================= q-point: (-0.18 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -17.617 31.548 1.503) 36.165 2.391 ( -18.287 26.564 13.844) 35.096 3.339 ( -26.882 -1.623 13.670) 30.202 3.554 ( -11.550 -24.158 9.632) 28.457 4.113 ( -33.283 2.247 -3.880) 33.584 4.213 ( -30.446 -2.763 -1.667) 30.616 4.351 ( -18.997 13.534 -9.782) 25.293 4.481 ( -22.228 -0.627 1.360) 22.278 4.719 ( -7.293 -7.549 -1.087) 10.553 4.938 ( 0.012 5.911 -2.273) 6.333 5.028 ( -9.354 5.033 -6.008) 12.204 5.375 ( -13.131 3.005 1.986) 13.616 5.685 ( -15.473 -1.524 0.318) 15.552 5.739 ( 2.416 -7.135 -8.238) 11.163 5.981 ( -2.268 -12.519 -6.277) 14.187 6.062 ( -3.926 -15.577 -13.170) 20.773 6.233 ( -7.205 11.788 -1.805) 13.933 6.498 ( 4.247 0.366 0.214) 4.268 6.570 ( 5.992 3.886 12.616) 14.497 6.792 ( 10.290 -6.184 8.579) 14.755 7.161 ( 10.457 3.897 1.823) 11.307 7.555 ( 10.009 -10.128 -0.108) 14.240 7.744 ( 4.168 3.564 -9.545) 11.008 7.875 ( 2.022 -0.813 -6.912) 7.247 8.226 ( 1.132 8.556 1.435) 8.749 8.469 ( 7.226 0.665 4.906) 8.759 8.622 ( -0.288 4.716 -1.919) 5.100 8.698 ( 1.101 0.869 -3.636) 3.897 9.238 ( -0.642 -2.171 3.439) 4.117 9.387 ( 2.623 -7.887 8.218) 11.688 9.611 ( -0.571 4.158 -1.139) 4.349 9.840 ( 1.754 -2.979 0.456) 3.487 10.352 ( -0.530 7.728 5.010) 9.226 10.535 ( 0.904 2.471 1.359) 2.962 10.813 ( -3.148 -8.834 2.161) 9.624 10.923 ( 1.452 -8.271 -5.405) 9.986 11.396 ( -11.705 5.904 4.922) 14.003 11.672 ( -12.352 -4.183 -0.865) 13.070 11.884 ( 6.999 10.282 -9.646) 15.740 12.259 ( 4.194 -7.328 -17.255) 19.210 12.603 ( 8.642 8.388 5.336) 13.172 12.860 ( 4.693 -1.714 5.369) 7.334 13.586 ( 0.181 -0.908 0.113) 0.933 13.733 ( 1.759 -5.018 1.955) 5.665 13.897 ( 0.519 0.765 8.016) 8.069 14.070 ( 2.147 -7.314 -2.122) 7.912 14.669 ( -4.216 5.087 4.266) 7.865 14.833 ( -2.508 -3.339 1.721) 4.517 15.052 ( 2.378 2.053 -4.156) 5.210 15.197 ( -5.897 -0.869 -0.411) 5.975 16.517 ( -0.283 1.935 3.704) 4.188 16.571 ( -1.142 -0.177 0.401) 1.223 16.755 ( -2.629 3.288 -3.830) 5.692 16.837 ( 0.626 1.436 -8.699) 8.839 17.694 ( 3.738 -1.517 -3.858) 5.582 17.806 ( 5.887 -3.706 -7.099) 9.939 18.172 ( 6.053 7.972 4.226) 10.865 18.402 ( 7.438 -1.035 2.836) 8.027 18.640 ( 0.050 0.731 0.289) 0.788 18.806 ( 1.387 -5.284 11.005) 12.286 18.895 ( 1.741 3.700 1.954) 4.532 19.127 ( 0.492 -5.875 -0.357) 5.907 28.310 ( 2.245 3.158 0.624) 3.925 28.439 ( 3.558 -2.419 1.289) 4.491 28.500 ( 0.330 3.380 -1.223) 3.609 28.635 ( 1.683 -2.216 0.341) 2.804 29.924 ( -2.162 4.639 7.649) 9.203 30.110 ( -2.442 -1.869 5.889) 6.644 30.393 ( 13.509 9.369 -5.585) 17.363 30.679 ( 10.570 -3.655 -1.243) 11.253 30.957 ( 8.252 1.388 -5.684) 10.116 31.077 ( 10.196 -3.871 -4.683) 11.869 31.569 ( -7.924 2.438 -4.104) 9.250 31.720 ( -9.938 -4.588 -0.192) 10.947 32.489 ( -6.884 15.533 4.372) 17.544 32.779 ( -8.997 13.738 2.689) 16.640 33.140 ( -8.856 -13.605 4.020) 16.724 33.533 ( -20.188 -21.985 -6.027) 30.451 ======================= Grid point 186 (101/156) ======================= q-point: (-0.09 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -18.480 33.307 6.207) 38.592 2.234 ( -20.483 24.063 21.762) 38.369 2.933 ( -28.817 4.051 12.933) 31.845 3.296 ( -28.571 -7.810 1.339) 29.650 3.569 ( -15.488 -5.516 2.663) 16.655 3.668 ( -20.285 -3.493 8.378) 22.223 4.019 ( -7.904 14.890 -10.128) 19.666 4.199 ( -14.256 3.942 2.136) 14.944 4.636 ( -0.270 -11.845 -5.693) 13.145 4.852 ( -4.553 7.090 -5.030) 9.814 4.884 ( -3.789 0.973 -1.126) 4.071 5.219 ( -3.769 -1.559 -0.889) 4.174 5.466 ( -7.585 -0.633 -1.168) 7.700 5.649 ( 1.351 -1.452 -13.185) 13.334 5.861 ( -2.401 -20.579 -10.655) 23.298 5.970 ( 3.895 -9.840 -7.216) 12.809 6.125 ( 0.073 9.188 -3.815) 9.949 6.571 ( 2.250 -7.758 -1.306) 8.182 6.762 ( 0.288 7.821 9.172) 12.058 7.003 ( 2.186 -3.808 0.202) 4.395 7.371 ( 11.377 7.532 3.025) 13.976 7.693 ( 8.103 -1.102 -2.834) 8.654 7.721 ( 2.935 -0.115 -4.099) 5.043 7.804 ( -0.996 -4.642 -5.524) 7.284 8.308 ( 4.741 9.381 3.492) 11.076 8.529 ( -5.916 5.165 -1.380) 7.973 8.713 ( 11.174 -1.310 3.837) 11.887 8.778 ( 7.826 -4.113 -0.360) 8.849 9.256 ( -1.953 2.642 4.448) 5.530 9.535 ( 4.631 -6.256 8.257) 11.347 9.726 ( 9.887 -5.179 8.937) 14.298 9.899 ( 2.082 -7.096 3.829) 8.327 10.421 ( 2.404 1.768 5.527) 6.281 10.523 ( -7.169 -1.112 4.256) 8.411 10.753 ( -1.779 -1.192 1.358) 2.536 10.953 ( 1.817 -6.929 -0.627) 7.190 11.187 ( -14.648 4.617 4.141) 15.907 11.412 ( -14.994 -4.223 -1.044) 15.612 11.897 ( 8.152 7.861 -15.280) 19.020 12.043 ( -1.201 0.107 -21.722) 21.755 12.800 ( 6.114 8.489 4.934) 11.567 12.982 ( 2.812 2.744 5.800) 7.006 13.552 ( -3.467 -0.321 -0.139) 3.485 13.746 ( -1.895 -5.071 -0.391) 5.428 13.987 ( 0.348 0.405 5.283) 5.310 14.090 ( 3.515 -3.838 -1.339) 5.374 14.626 ( -4.398 3.577 3.446) 6.634 14.804 ( -4.774 -4.552 2.660) 7.112 15.032 ( -0.422 1.485 -4.502) 4.759 15.112 ( 1.174 -0.391 -3.447) 3.662 16.543 ( -2.294 1.407 0.798) 2.807 16.579 ( 0.207 0.037 3.485) 3.491 16.680 ( -0.204 3.638 -3.517) 5.064 16.793 ( 2.862 -1.130 -5.722) 6.497 17.711 ( 2.836 0.275 -3.631) 4.615 17.824 ( 3.517 -2.923 -5.714) 7.319 18.332 ( 6.029 8.904 4.243) 11.560 18.511 ( 2.104 0.954 2.180) 3.176 18.640 ( 0.559 -0.587 -0.957) 1.254 18.889 ( -1.974 -6.837 0.264) 7.121 18.977 ( 4.239 1.607 6.257) 7.726 19.162 ( -0.628 -4.414 4.295) 6.190 28.357 ( 1.966 3.306 0.738) 3.917 28.481 ( -0.011 1.634 -1.171) 2.010 28.524 ( 2.918 -0.492 1.358) 3.256 28.656 ( 0.428 -2.410 -0.279) 2.464 29.961 ( -3.018 5.249 7.595) 9.713 30.140 ( -2.024 -0.627 6.741) 7.066 30.497 ( 7.484 8.688 -12.746) 17.145 30.825 ( 8.636 -6.555 -10.228) 14.905 31.158 ( 14.674 1.596 2.985) 15.060 31.227 ( 10.857 -1.656 -0.450) 10.992 31.368 ( -6.070 2.398 -2.676) 7.054 31.528 ( -7.811 -5.178 -3.593) 10.037 32.396 ( -9.688 12.611 -0.545) 15.912 32.566 ( -16.330 7.871 -0.931) 18.152 33.016 ( -7.916 -11.882 5.197) 15.194 33.252 ( -7.105 -13.378 6.073) 16.320 ======================= Grid point 187 (102/156) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -4.209 -18.095 6.242) 19.599 2.107 ( -4.209 18.095 6.242) 19.599 2.871 ( -0.776 -16.966 10.860) 20.159 2.871 ( -0.776 16.966 10.860) 20.159 3.542 ( -0.317 -4.273 12.214) 12.943 3.542 ( -0.317 4.273 12.214) 12.943 4.186 ( 1.843 -15.391 -18.520) 24.151 4.186 ( 1.843 15.391 -18.520) 24.151 4.592 ( -1.411 -21.158 4.335) 21.644 4.592 ( -1.411 21.158 4.335) 21.644 4.940 ( -0.044 -12.166 -0.892) 12.199 4.940 ( -0.044 12.166 -0.892) 12.199 5.414 ( -2.521 -5.979 -6.148) 8.939 5.414 ( -2.521 5.979 -6.148) 8.939 5.719 ( 1.163 -9.005 -6.138) 10.960 5.719 ( 1.163 9.005 -6.138) 10.960 6.340 ( 2.004 -10.734 -2.130) 11.126 6.340 ( 2.004 10.734 -2.130) 11.126 6.894 ( -8.803 -6.627 3.157) 11.462 6.894 ( -8.803 6.627 3.157) 11.462 7.592 ( -2.899 -8.276 -4.145) 9.699 7.592 ( -2.899 8.276 -4.145) 9.699 7.837 ( 10.378 -2.898 -0.950) 10.817 7.837 ( 10.378 2.898 -0.950) 10.817 8.547 ( -2.305 -4.691 4.064) 6.621 8.547 ( -2.305 4.691 4.064) 6.621 8.762 ( 4.376 -8.637 -4.348) 10.614 8.762 ( 4.376 8.637 -4.348) 10.614 9.480 ( 2.374 -12.397 8.643) 15.298 9.480 ( 2.374 12.397 8.643) 15.298 9.903 ( 4.450 -3.054 5.403) 7.637 9.903 ( 4.450 3.054 5.403) 7.637 10.475 ( -3.057 -2.520 6.194) 7.353 10.475 ( -3.057 2.520 6.194) 7.353 10.854 ( 2.242 -5.905 -3.866) 7.405 10.854 ( 2.242 5.905 -3.866) 7.405 11.105 ( -6.544 -5.864 4.116) 9.703 11.105 ( -6.544 5.864 4.116) 9.703 11.912 ( 7.309 -4.607 -19.023) 20.893 11.912 ( 7.309 4.607 -19.023) 20.893 13.022 ( -1.776 -6.111 5.046) 8.122 13.022 ( -1.776 6.111 5.046) 8.122 13.583 ( -3.674 -6.432 1.307) 7.522 13.583 ( -3.674 6.432 1.307) 7.522 14.079 ( 1.578 -4.918 0.747) 5.219 14.079 ( 1.578 4.918 0.747) 5.219 14.669 ( -3.341 -3.056 3.353) 5.634 14.669 ( -3.341 3.056 3.353) 5.634 15.045 ( 0.999 -3.478 -4.051) 5.432 15.045 ( 0.999 3.478 -4.051) 5.432 16.550 ( -2.033 -2.728 0.981) 3.540 16.550 ( -2.033 2.728 0.981) 3.540 16.751 ( 3.271 -3.302 -2.543) 5.298 16.751 ( 3.271 3.302 -2.543) 5.298 17.754 ( 0.929 -2.577 -4.035) 4.877 17.754 ( 0.929 2.577 -4.035) 4.877 18.514 ( -0.477 -3.130 0.371) 3.187 18.514 ( -0.477 3.130 0.371) 3.187 18.725 ( -2.211 -5.778 2.688) 6.745 18.725 ( -2.211 5.778 2.688) 6.745 19.126 ( 0.893 -1.442 3.386) 3.787 19.126 ( 0.893 1.442 3.386) 3.787 28.462 ( 0.449 -3.086 1.357) 3.401 28.462 ( 0.449 3.086 1.357) 3.401 28.586 ( -0.271 -2.931 -0.999) 3.109 28.586 ( -0.271 2.931 -0.999) 3.109 30.091 ( -4.990 -5.598 8.461) 11.306 30.091 ( -4.990 5.598 8.461) 11.306 30.612 ( 0.641 -9.149 -12.418) 15.438 30.612 ( 0.641 9.149 -12.418) 15.438 31.227 ( -2.544 -0.538 -1.927) 3.236 31.227 ( -2.544 0.538 -1.927) 3.236 31.530 ( 8.702 -2.037 2.224) 9.210 31.530 ( 8.702 2.037 2.224) 9.210 32.335 ( -2.449 -2.049 -5.210) 6.111 32.335 ( -2.449 2.049 -5.210) 6.111 33.071 ( -0.091 -4.380 8.234) 9.326 33.071 ( -0.091 4.380 8.234) 9.326 ======================= Grid point 189 (103/156) ======================= q-point: ( 0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 20.847 -6.805 11.447) 24.737 2.415 ( 20.847 6.805 11.447) 24.737 3.094 ( 14.347 -10.548 6.691) 19.022 3.094 ( 14.347 10.548 6.691) 19.022 3.807 ( 11.767 -7.212 10.493) 17.337 3.807 ( 11.767 7.212 10.493) 17.337 4.054 ( 8.150 -10.510 -16.507) 21.198 4.054 ( 8.150 10.510 -16.507) 21.198 4.653 ( 8.559 -8.409 -3.866) 12.606 4.653 ( 8.559 8.409 -3.866) 12.606 4.982 ( 2.047 -9.176 2.796) 9.809 4.982 ( 2.047 9.176 2.796) 9.809 5.326 ( -1.495 -5.537 -2.348) 6.198 5.326 ( -1.495 5.537 -2.348) 6.198 5.690 ( 3.847 -9.101 -4.454) 10.838 5.690 ( 3.847 9.101 -4.454) 10.838 6.364 ( 2.053 -7.613 -4.760) 9.211 6.364 ( 2.053 7.613 -4.760) 9.211 6.772 ( -8.367 -12.228 9.004) 17.337 6.772 ( -8.367 12.228 9.004) 17.337 7.444 ( -8.320 -11.721 -2.745) 14.634 7.444 ( -8.320 11.721 -2.745) 14.634 7.963 ( 6.433 -8.839 -6.081) 12.510 7.963 ( 6.433 8.839 -6.081) 12.510 8.510 ( -6.454 -8.622 3.817) 11.426 8.510 ( -6.454 8.622 3.817) 11.426 8.769 ( 1.609 -12.790 -3.444) 13.343 8.769 ( 1.609 12.790 -3.444) 13.343 9.623 ( 2.143 -10.562 8.787) 13.905 9.623 ( 2.143 10.562 8.787) 13.905 9.929 ( -4.304 -3.986 -0.989) 5.949 9.929 ( -4.304 3.986 -0.989) 5.949 10.479 ( -2.694 -6.440 1.739) 7.194 10.479 ( -2.694 6.440 1.739) 7.194 10.837 ( 3.438 -4.769 -2.367) 6.338 10.837 ( 3.438 4.769 -2.367) 6.338 11.191 ( 6.902 -6.436 5.242) 10.795 11.191 ( 6.902 6.436 5.242) 10.795 11.890 ( 10.464 -7.380 -15.127) 19.819 11.890 ( 10.464 7.380 -15.127) 19.819 12.976 ( -9.280 -10.216 4.960) 14.666 12.976 ( -9.280 10.216 4.960) 14.666 13.543 ( -2.168 -5.652 1.729) 6.295 13.543 ( -2.168 5.652 1.729) 6.295 14.082 ( -1.699 -9.937 0.392) 10.089 14.082 ( -1.699 9.937 0.392) 10.089 14.660 ( -1.507 -1.361 3.219) 3.806 14.660 ( -1.507 1.361 3.219) 3.806 15.038 ( 2.547 -4.581 -2.917) 5.999 15.038 ( 2.547 4.581 -2.917) 5.999 16.544 ( 0.462 -3.468 1.182) 3.693 16.544 ( 0.462 3.468 1.182) 3.693 16.788 ( 3.780 -3.157 -2.912) 5.722 16.788 ( 3.780 3.157 -2.912) 5.722 17.700 ( -2.476 -1.675 -3.364) 4.500 17.700 ( -2.476 1.675 -3.364) 4.500 18.493 ( -2.648 -4.381 1.144) 5.245 18.493 ( -2.648 4.381 1.144) 5.245 18.673 ( -6.606 -3.270 3.246) 8.054 18.673 ( -6.606 3.270 3.246) 8.054 19.179 ( 1.921 -3.605 1.416) 4.323 19.179 ( 1.921 3.605 1.416) 4.323 28.466 ( -1.579 -1.191 0.995) 2.214 28.466 ( -1.579 1.191 0.995) 2.214 28.569 ( -0.416 -1.279 -0.732) 1.532 28.569 ( -0.416 1.279 -0.732) 1.532 30.071 ( -6.813 -6.515 7.785) 12.226 30.071 ( -6.813 6.515 7.785) 12.226 30.492 ( -1.489 -8.153 -6.546) 10.561 30.492 ( -1.489 8.153 -6.546) 10.561 31.188 ( -2.960 -2.767 -1.494) 4.319 31.188 ( -2.960 2.767 -1.494) 4.319 31.528 ( -3.090 -2.242 -3.104) 4.921 31.528 ( -3.090 2.242 -3.104) 4.921 32.493 ( 20.212 -1.201 -1.942) 20.340 32.493 ( 20.212 1.201 -1.942) 20.340 33.142 ( 0.450 -4.454 4.848) 6.598 33.142 ( 0.450 4.454 4.848) 6.598 ======================= Grid point 191 (104/156) ======================= q-point: ( 0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 2.307 -6.112 15.129) 16.479 2.789 ( 2.307 6.112 15.129) 16.479 3.451 ( 19.653 -22.394 -6.777) 30.556 3.451 ( 19.653 22.394 -6.777) 30.556 3.940 ( 4.963 -18.661 0.015) 19.310 3.940 ( 4.963 18.661 0.015) 19.310 4.319 ( 17.697 -8.141 4.175) 19.922 4.319 ( 17.697 8.141 4.175) 19.922 4.808 ( 15.805 -2.156 -6.460) 17.210 4.808 ( 15.805 2.156 -6.460) 17.210 5.100 ( 6.001 -4.887 2.853) 8.248 5.100 ( 6.001 4.887 2.853) 8.248 5.336 ( 7.153 -7.793 1.432) 10.675 5.336 ( 7.153 7.793 1.432) 10.675 5.826 ( 15.976 -13.994 -3.031) 21.454 5.826 ( 15.976 13.994 -3.031) 21.454 6.271 ( -1.466 -4.557 -7.055) 8.526 6.271 ( -1.466 4.557 -7.055) 8.526 6.857 ( 2.109 -8.654 13.176) 15.905 6.857 ( 2.109 8.654 13.176) 15.905 7.273 ( -8.139 -10.378 -0.077) 13.189 7.273 ( -8.139 10.378 -0.077) 13.189 7.924 ( -0.180 -12.706 -10.640) 16.573 7.924 ( -0.180 12.706 -10.640) 16.573 8.417 ( -8.018 -5.508 3.515) 10.343 8.417 ( -8.018 5.508 3.515) 10.343 8.757 ( 1.234 -10.104 -2.757) 10.546 8.757 ( 1.234 10.104 -2.757) 10.546 9.680 ( -4.578 -2.301 1.638) 5.379 9.680 ( -4.578 2.301 1.638) 5.379 9.812 ( -3.559 -6.172 -2.108) 7.430 9.812 ( -3.559 6.172 -2.108) 7.430 10.434 ( -0.997 -8.371 -1.209) 8.517 10.434 ( -0.997 8.371 -1.209) 8.517 10.907 ( 3.007 -8.708 0.361) 9.219 10.907 ( 3.007 8.708 0.361) 9.219 11.374 ( 7.992 -5.490 2.417) 9.993 11.374 ( 7.992 5.490 2.417) 9.993 11.943 ( 9.445 -6.618 -9.640) 15.031 11.943 ( 9.445 6.618 -9.640) 15.031 12.817 ( -13.608 -11.196 4.488) 18.184 12.817 ( -13.608 11.196 4.488) 18.184 13.536 ( -2.010 -4.258 3.028) 5.598 13.536 ( -2.010 4.258 3.028) 5.598 14.048 ( -1.725 -11.258 0.043) 11.389 14.048 ( -1.725 11.258 0.043) 11.389 14.694 ( 1.176 -3.403 4.011) 5.390 14.694 ( 1.176 3.403 4.011) 5.390 15.071 ( 3.551 -4.725 -1.181) 6.027 15.071 ( 3.551 4.725 -1.181) 6.027 16.586 ( 2.351 -2.244 1.059) 3.419 16.586 ( 2.351 2.244 1.059) 3.419 16.815 ( 3.491 -2.490 -4.180) 5.988 16.815 ( 3.491 2.490 -4.180) 5.988 17.603 ( -4.440 -0.836 -2.593) 5.209 17.603 ( -4.440 0.836 -2.593) 5.209 18.432 ( -6.605 -6.955 2.118) 9.822 18.432 ( -6.605 6.955 2.118) 9.822 18.602 ( -3.804 -4.424 2.619) 6.396 18.602 ( -3.804 4.424 2.619) 6.396 19.204 ( -0.037 -6.123 -0.466) 6.141 19.204 ( -0.037 6.123 -0.466) 6.141 28.434 ( -2.315 -1.586 0.080) 2.808 28.434 ( -2.315 1.586 0.080) 2.808 28.556 ( -0.700 -3.283 -0.032) 3.357 28.556 ( -0.700 3.283 -0.032) 3.357 30.024 ( -6.943 -7.210 6.857) 12.133 30.024 ( -6.943 7.210 6.857) 12.133 30.432 ( -0.677 -5.947 -1.483) 6.166 30.432 ( -0.677 5.947 -1.483) 6.166 30.993 ( -12.924 -4.344 -4.781) 14.449 30.993 ( -12.924 4.344 -4.781) 14.449 31.545 ( 6.707 -1.536 -1.870) 7.130 31.545 ( 6.707 1.536 -1.870) 7.130 32.851 ( 17.303 -8.531 1.687) 19.365 32.851 ( 17.303 8.531 1.687) 19.365 33.215 ( 6.130 -15.805 -0.132) 16.953 33.215 ( 6.130 15.805 -0.132) 16.953 ======================= Grid point 193 (105/156) ======================= q-point: ( 0.27 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -3.771 -3.712 10.182) 11.475 2.889 ( -3.771 3.712 10.182) 11.475 3.564 ( 2.413 -16.298 -3.075) 16.760 3.564 ( 2.413 16.298 -3.075) 16.760 4.088 ( 8.501 -17.644 1.492) 19.642 4.088 ( 8.501 17.644 1.492) 19.642 4.491 ( -0.526 -13.052 5.944) 14.352 4.491 ( -0.526 13.052 5.944) 14.352 5.036 ( -6.405 -11.114 1.808) 12.955 5.036 ( -6.405 11.114 1.808) 12.955 5.182 ( 20.417 -2.111 -6.825) 21.630 5.182 ( 20.417 2.111 -6.825) 21.630 5.652 ( 10.316 -5.378 10.446) 15.635 5.652 ( 10.316 5.378 10.446) 15.635 6.133 ( 20.827 -3.510 0.294) 21.122 6.133 ( 20.827 3.510 0.294) 21.122 6.372 ( 25.284 -1.924 -9.642) 27.128 6.372 ( 25.284 1.924 -9.642) 27.128 6.969 ( -1.739 -2.717 -0.236) 3.235 6.969 ( -1.739 2.717 -0.236) 3.235 7.257 ( 5.167 -10.835 8.558) 14.742 7.257 ( 5.167 10.835 8.558) 14.742 7.781 ( -2.567 -7.789 -8.028) 11.476 7.781 ( -2.567 7.789 -8.028) 11.476 8.305 ( -5.443 -2.525 -0.981) 6.080 8.305 ( -5.443 2.525 -0.981) 6.080 8.774 ( 2.711 -8.480 -0.249) 8.906 8.774 ( 2.711 8.480 -0.249) 8.906 9.536 ( -8.788 -3.577 -0.982) 9.539 9.536 ( -8.788 3.577 -0.982) 9.539 9.745 ( -2.567 -8.315 -3.857) 9.519 9.745 ( -2.567 8.315 -3.857) 9.519 10.430 ( 1.534 -8.845 -1.644) 9.126 10.430 ( 1.534 8.845 -1.644) 9.126 10.913 ( -1.862 -12.132 -0.608) 12.289 10.913 ( -1.862 12.132 -0.608) 12.289 11.521 ( 6.825 -6.291 0.938) 9.329 11.521 ( 6.825 6.291 0.938) 9.329 11.973 ( 1.268 -4.815 -5.165) 7.174 11.973 ( 1.268 4.815 -5.165) 7.174 12.608 ( -13.856 -8.386 3.415) 16.553 12.608 ( -13.856 8.386 3.415) 16.553 13.527 ( -2.662 -3.418 3.257) 5.420 13.527 ( -2.662 3.418 3.257) 5.420 14.034 ( 0.261 -7.529 -0.265) 7.538 14.034 ( 0.261 7.529 -0.265) 7.538 14.779 ( 2.874 -3.361 3.931) 5.917 14.779 ( 2.874 3.361 3.931) 5.917 15.144 ( 4.603 -4.928 1.286) 6.865 15.144 ( 4.603 4.928 1.286) 6.865 16.628 ( 1.202 -1.137 0.198) 1.666 16.628 ( 1.202 1.137 0.198) 1.666 16.829 ( 3.809 -0.957 -4.835) 6.230 16.829 ( 3.809 0.957 -4.835) 6.230 17.502 ( -3.993 -2.853 -1.441) 5.114 17.502 ( -3.993 2.853 -1.441) 5.114 18.313 ( -7.864 -6.669 0.760) 10.339 18.313 ( -7.864 6.669 0.760) 10.339 18.593 ( -1.433 -5.306 3.558) 6.547 18.593 ( -1.433 5.306 3.558) 6.547 19.167 ( -1.909 -7.212 -2.711) 7.937 19.167 ( -1.909 7.212 -2.711) 7.937 28.392 ( -1.868 -1.939 -0.725) 2.789 28.392 ( -1.868 1.939 -0.725) 2.789 28.540 ( -1.134 -3.903 0.171) 4.068 28.540 ( -1.134 3.903 0.171) 4.068 29.979 ( -6.030 -7.552 6.583) 11.693 29.979 ( -6.030 7.552 6.583) 11.693 30.418 ( -0.086 -3.807 -0.880) 3.909 30.418 ( -0.086 3.807 -0.880) 3.909 30.724 ( -10.521 -2.557 -3.647) 11.425 30.724 ( -10.521 2.557 -3.647) 11.425 31.641 ( 3.606 -3.346 0.508) 4.945 31.641 ( 3.606 3.346 0.508) 4.945 33.089 ( 8.485 -12.739 0.581) 15.317 33.089 ( 8.485 12.739 0.581) 15.317 33.394 ( 13.893 -18.356 -1.232) 23.054 33.394 ( 13.893 18.356 -1.232) 23.054 ======================= Grid point 195 (106/156) ======================= q-point: ( 0.36 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -2.947 -11.203 9.666) 15.087 2.927 ( -2.947 11.203 9.666) 15.087 3.580 ( -1.994 -12.657 8.039) 15.126 3.580 ( -1.994 12.657 8.039) 15.126 4.239 ( 8.104 -11.885 -0.993) 14.419 4.239 ( 8.104 11.885 -0.993) 14.419 4.574 ( 2.989 -11.283 7.326) 13.781 4.574 ( 2.989 11.283 7.326) 13.781 4.824 ( -14.357 -11.719 -1.545) 18.597 4.824 ( -14.357 11.719 -1.545) 18.597 5.381 ( 6.653 -1.945 -3.198) 7.633 5.381 ( 6.653 1.945 -3.198) 7.633 5.850 ( 3.016 -5.227 10.349) 11.980 5.850 ( 3.016 5.227 10.349) 11.980 6.433 ( 9.078 -8.666 -3.882) 13.137 6.433 ( 9.078 8.666 -3.882) 13.137 6.723 ( 3.504 -3.872 -2.803) 5.927 6.723 ( 3.504 3.872 -2.803) 5.927 7.037 ( 28.971 -0.721 -7.353) 29.898 7.037 ( 28.971 0.721 -7.353) 29.898 7.478 ( 3.162 -6.495 7.931) 10.728 7.478 ( 3.162 6.495 7.931) 10.728 7.764 ( 12.161 -6.314 -5.958) 14.942 7.764 ( 12.161 6.314 -5.958) 14.942 8.246 ( 1.351 -5.070 -0.998) 5.341 8.246 ( 1.351 5.070 -0.998) 5.341 8.838 ( 3.312 -6.718 1.118) 7.573 8.838 ( 3.312 6.718 1.118) 7.573 9.382 ( -9.753 -4.032 2.269) 10.795 9.382 ( -9.753 4.032 2.269) 10.795 9.634 ( -2.606 -5.451 -6.425) 8.820 9.634 ( -2.606 5.451 -6.425) 8.820 10.424 ( -0.516 -9.827 -1.797) 10.003 10.424 ( -0.516 9.827 -1.797) 10.003 10.862 ( -0.751 -13.281 -2.767) 13.587 10.862 ( -0.751 13.281 -2.767) 13.587 11.641 ( 4.826 -7.790 0.915) 9.210 11.641 ( 4.826 7.790 0.915) 9.210 11.857 ( -7.825 -2.859 -3.128) 8.899 11.857 ( -7.825 2.859 -3.128) 8.899 12.415 ( -10.482 -4.750 1.412) 11.595 12.415 ( -10.482 4.750 1.412) 11.595 13.515 ( -2.369 -5.450 3.190) 6.745 13.515 ( -2.369 5.450 3.190) 6.745 14.038 ( 0.559 -4.078 -1.212) 4.290 14.038 ( 0.559 4.078 -1.212) 4.290 14.859 ( 2.282 -2.008 2.086) 3.686 14.859 ( 2.282 2.008 2.086) 3.686 15.239 ( 2.590 -5.716 2.213) 6.654 15.239 ( 2.590 5.716 2.213) 6.654 16.647 ( 1.312 -2.064 0.955) 2.625 16.647 ( 1.312 2.064 0.955) 2.625 16.854 ( 4.064 -0.189 -3.713) 5.508 16.854 ( 4.064 0.189 -3.713) 5.508 17.442 ( -1.415 -5.652 -0.430) 5.842 17.442 ( -1.415 5.652 -0.430) 5.842 18.180 ( -6.700 -4.415 -1.100) 8.099 18.180 ( -6.700 4.415 -1.100) 8.099 18.614 ( -1.259 -4.711 4.554) 6.672 18.614 ( -1.259 4.711 4.554) 6.672 19.095 ( -1.540 -7.370 -4.278) 8.660 19.095 ( -1.540 7.370 -4.278) 8.660 28.352 ( -1.257 -1.212 -1.492) 2.296 28.352 ( -1.257 1.212 -1.492) 2.296 28.522 ( -1.025 -3.169 0.115) 3.333 28.522 ( -1.025 3.169 0.115) 3.333 29.949 ( -5.136 -7.571 6.214) 11.060 29.949 ( -5.136 7.571 6.214) 11.060 30.400 ( 0.948 -2.282 -3.361) 4.171 30.400 ( 0.948 2.282 -3.361) 4.171 30.569 ( -5.649 -1.595 1.482) 6.054 30.569 ( -5.649 1.595 1.482) 6.054 31.677 ( -0.411 -4.415 1.543) 4.695 31.677 ( -0.411 4.415 1.543) 4.695 33.209 ( 6.462 -7.181 -2.538) 9.989 33.209 ( 6.462 7.181 -2.538) 9.989 33.615 ( 10.253 -10.996 0.130) 15.035 33.615 ( 10.253 10.996 0.130) 15.035 ======================= Grid point 197 (107/156) ======================= q-point: ( 0.45 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -3.537 -11.727 16.553) 20.592 3.011 ( -3.537 11.727 16.553) 20.592 3.684 ( 2.982 -12.617 9.738) 16.215 3.684 ( 2.982 12.617 9.738) 16.215 4.286 ( -6.648 -8.854 -2.791) 11.418 4.286 ( -6.648 8.854 -2.791) 11.418 4.596 ( -2.285 -10.757 -1.973) 11.173 4.596 ( -2.285 10.757 -1.973) 11.173 4.757 ( 7.938 -8.485 7.668) 13.921 4.757 ( 7.938 8.485 7.668) 13.921 5.402 ( -1.818 -1.580 1.211) 2.696 5.402 ( -1.818 1.580 1.211) 2.696 6.001 ( 3.764 -4.963 5.892) 8.574 6.001 ( 3.764 4.963 5.892) 8.574 6.382 ( -4.763 -8.738 -7.804) 12.647 6.382 ( -4.763 8.738 -7.804) 12.647 6.666 ( 1.680 -6.806 -7.223) 10.065 6.666 ( 1.680 6.806 -7.223) 10.065 7.378 ( 0.852 -5.605 5.554) 7.936 7.378 ( 0.852 5.605 5.554) 7.936 7.579 ( 8.822 -5.274 -4.619) 11.269 7.579 ( 8.822 5.274 -4.619) 11.269 8.059 ( 23.628 -6.679 -2.535) 24.685 8.059 ( 23.628 6.679 -2.535) 24.685 8.296 ( -0.907 -3.753 2.713) 4.719 8.296 ( -0.907 3.753 2.713) 4.719 8.892 ( -0.262 -7.907 1.691) 8.090 8.892 ( -0.262 7.907 1.691) 8.090 9.186 ( -14.021 -9.136 1.416) 16.795 9.186 ( -14.021 9.136 1.416) 16.795 9.574 ( 3.750 -2.206 -5.369) 6.911 9.574 ( 3.750 2.206 -5.369) 6.911 10.401 ( 0.679 -11.710 -0.422) 11.738 10.401 ( 0.679 11.710 -0.422) 11.738 10.846 ( 3.615 -11.592 -5.413) 13.295 10.846 ( 3.615 11.592 -5.413) 13.295 11.586 ( -9.631 -7.009 -1.445) 11.998 11.586 ( -9.631 7.009 -1.445) 11.998 11.814 ( 5.781 -2.080 0.163) 6.146 11.814 ( 5.781 2.080 0.163) 6.146 12.270 ( -6.340 -1.884 -0.120) 6.615 12.270 ( -6.340 1.884 -0.120) 6.615 13.516 ( -1.478 -6.306 3.367) 7.299 13.516 ( -1.478 6.306 3.367) 7.299 14.017 ( -0.881 -2.943 -2.356) 3.872 14.017 ( -0.881 2.943 -2.356) 3.872 14.903 ( 0.355 -1.956 1.437) 2.453 14.903 ( 0.355 1.956 1.437) 2.453 15.252 ( -1.927 -3.644 -0.211) 4.128 15.252 ( -1.927 3.644 -0.211) 4.128 16.710 ( 1.616 -2.287 4.062) 4.934 16.710 ( 1.616 2.287 4.062) 4.934 16.894 ( 4.326 -1.519 -2.232) 5.099 16.894 ( 4.326 1.519 -2.232) 5.099 17.446 ( 2.436 -6.904 -0.479) 7.337 17.446 ( 2.437 6.904 -0.479) 7.337 18.056 ( -4.859 -1.939 -2.317) 5.722 18.056 ( -4.859 1.939 -2.317) 5.722 18.638 ( -2.097 -3.377 5.315) 6.637 18.638 ( -2.097 3.377 5.315) 6.637 19.032 ( 0.386 -7.589 -5.164) 9.187 19.032 ( 0.386 7.589 -5.164) 9.187 28.318 ( -0.550 -0.459 -1.836) 1.971 28.318 ( -0.550 0.459 -1.836) 1.971 28.509 ( -0.407 -1.889 0.003) 1.933 28.509 ( -0.407 1.889 0.003) 1.933 29.926 ( -4.186 -7.005 5.268) 9.713 29.926 ( -4.186 7.005 5.268) 9.713 30.401 ( 2.054 -2.538 -1.969) 3.812 30.401 ( 2.054 2.538 -1.969) 3.812 30.531 ( -0.793 -2.140 2.205) 3.174 30.531 ( -0.793 2.140 2.205) 3.174 31.679 ( -0.864 -3.459 1.784) 3.987 31.679 ( -0.864 3.459 1.784) 3.987 33.257 ( 1.952 -4.091 -3.292) 5.602 33.257 ( 1.952 4.091 -3.292) 5.602 33.744 ( 4.030 -8.994 0.062) 9.855 33.744 ( 4.030 8.994 0.062) 9.855 ======================= Grid point 199 (108/156) ======================= q-point: (-0.45 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -9.059 -16.696 20.080) 27.641 3.109 ( -9.059 16.696 20.080) 27.641 3.819 ( -5.908 -4.177 -0.239) 7.240 3.819 ( -5.908 4.177 -0.239) 7.240 4.056 ( -0.185 -7.466 1.135) 7.554 4.056 ( -0.185 7.466 1.135) 7.554 4.683 ( 8.310 -11.232 0.146) 13.973 4.683 ( 8.310 11.232 0.146) 13.973 4.962 ( 4.587 -2.771 3.396) 6.344 4.962 ( 4.587 2.771 3.396) 6.344 5.409 ( -0.186 -4.562 8.806) 9.919 5.409 ( -0.186 4.562 8.806) 9.919 6.067 ( -3.525 -5.286 0.928) 6.421 6.067 ( -3.525 5.286 0.928) 6.421 6.243 ( 2.628 -2.746 -7.027) 7.989 6.243 ( 2.628 2.746 -7.027) 7.989 6.633 ( 3.392 -4.479 -8.008) 9.783 6.633 ( 3.392 4.479 -8.008) 9.783 7.281 ( -14.829 -4.442 1.745) 15.578 7.281 ( -14.829 4.442 1.745) 15.578 7.609 ( -2.909 -3.377 -3.489) 5.660 7.609 ( -2.909 3.377 -3.489) 5.660 8.163 ( -12.972 -4.798 1.912) 13.962 8.163 ( -12.972 4.798 1.912) 13.962 8.382 ( 3.995 -3.491 1.441) 5.498 8.382 ( 3.995 3.491 1.441) 5.498 8.777 ( -7.724 -10.727 0.488) 13.228 8.777 ( -7.724 10.727 0.488) 13.228 9.082 ( 0.691 -4.191 1.469) 4.495 9.082 ( 0.691 4.191 1.469) 4.495 9.635 ( 8.066 -3.683 -4.327) 9.866 9.635 ( 8.066 3.683 -4.327) 9.866 10.443 ( 3.112 -11.718 -0.423) 12.132 10.443 ( 3.112 11.718 -0.423) 12.132 10.861 ( 5.606 -10.897 -7.581) 14.410 10.861 ( 5.606 10.897 -7.581) 14.410 11.451 ( -3.452 -4.290 1.910) 5.828 11.451 ( -3.452 4.290 1.910) 5.828 11.960 ( 10.684 -4.237 -1.819) 11.636 11.960 ( 10.684 4.237 -1.819) 11.636 12.192 ( -2.313 -4.563 0.595) 5.150 12.192 ( -2.313 4.563 0.595) 5.150 13.533 ( -0.739 -5.218 3.439) 6.293 13.533 ( -0.739 5.218 3.439) 6.293 13.963 ( -1.997 -3.292 -2.199) 4.434 13.963 ( -1.997 3.292 -2.199) 4.434 14.895 ( -3.272 -3.777 1.685) 5.274 14.895 ( -3.272 3.777 1.685) 5.274 15.210 ( -1.343 -1.323 -0.210) 1.897 15.210 ( -1.343 1.323 -0.210) 1.897 16.730 ( -3.756 -1.303 2.528) 4.711 16.730 ( -3.756 1.303 2.528) 4.711 16.969 ( 4.576 -3.750 -0.483) 5.936 16.969 ( 4.576 3.750 -0.483) 5.936 17.514 ( 6.439 -7.140 -2.214) 9.866 17.514 ( 6.439 7.140 -2.214) 9.866 17.971 ( -1.923 -0.514 -1.167) 2.307 17.971 ( -1.923 0.514 -1.167) 2.307 18.650 ( -3.341 -1.945 5.873) 7.031 18.650 ( -3.341 1.945 5.873) 7.031 19.001 ( 2.437 -8.210 -5.633) 10.250 19.001 ( 2.437 8.210 -5.633) 10.250 28.296 ( 0.299 -1.197 -1.557) 1.987 28.296 ( 0.299 1.197 -1.557) 1.987 28.509 ( 0.472 -0.990 -0.032) 1.097 28.509 ( 0.472 0.990 -0.032) 1.097 29.919 ( -2.623 -6.330 5.089) 8.535 29.919 ( -2.623 6.330 5.089) 8.535 30.397 ( -0.686 -3.708 -0.869) 3.870 30.397 ( -0.686 3.708 -0.869) 3.870 30.606 ( 6.949 -2.140 0.568) 7.293 30.606 ( 6.949 2.140 0.568) 7.293 31.694 ( 0.604 -0.747 1.717) 1.967 31.694 ( 0.604 0.747 1.717) 1.967 33.198 ( -4.918 -3.799 -2.603) 6.738 33.198 ( -4.918 3.799 -2.603) 6.738 33.763 ( -1.682 -11.680 -0.287) 11.804 33.763 ( -1.682 11.680 -0.287) 11.804 ======================= Grid point 201 (109/156) ======================= q-point: (-0.36 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -13.447 -22.778 10.161) 28.336 3.078 ( -13.447 22.778 10.161) 28.336 3.506 ( -18.005 -15.019 0.784) 23.459 3.506 ( -18.005 15.019 0.784) 23.459 4.315 ( 13.081 -4.105 5.403) 14.736 4.315 ( 13.081 4.105 5.403) 14.736 4.827 ( 0.542 -7.846 5.489) 9.591 4.827 ( 0.542 7.846 5.489) 9.591 4.967 ( 5.528 -7.243 -8.301) 12.326 4.967 ( 5.528 7.243 -8.301) 12.326 5.568 ( 0.342 -12.510 8.981) 15.404 5.568 ( 0.342 12.510 8.981) 15.404 5.967 ( -1.067 -8.464 -1.619) 8.683 5.967 ( -1.067 8.464 -1.619) 8.683 6.306 ( 4.182 -2.046 0.431) 4.675 6.306 ( 4.182 2.046 0.431) 4.675 6.565 ( -6.406 -6.496 -8.323) 12.349 6.565 ( -6.406 6.496 -8.323) 12.349 6.871 ( -27.566 -7.393 1.709) 28.591 6.871 ( -27.566 7.393 1.709) 28.591 7.378 ( -17.711 -4.466 -2.823) 18.483 7.378 ( -17.711 4.466 -2.823) 18.483 7.940 ( -10.489 -5.245 0.663) 11.746 7.940 ( -10.489 5.245 0.663) 11.746 8.322 ( -2.437 -6.912 -0.454) 7.343 8.322 ( -2.437 6.912 -0.454) 7.343 8.772 ( 1.185 -1.572 -0.885) 2.158 8.772 ( 1.185 1.572 -0.885) 2.158 9.136 ( 2.097 -2.900 2.288) 4.248 9.136 ( 2.097 2.900 2.288) 4.248 9.728 ( 6.273 -4.191 -4.068) 8.571 9.728 ( 6.273 4.191 -4.068) 8.571 10.470 ( -0.121 -10.557 1.195) 10.625 10.470 ( -0.121 10.557 1.195) 10.625 10.865 ( 4.801 -10.490 -9.877) 15.188 10.865 ( 4.801 10.490 -9.877) 15.188 11.522 ( 5.063 -9.009 5.505) 11.709 11.522 ( 5.063 9.009 5.505) 11.709 12.052 ( 3.555 -5.876 -6.077) 9.170 12.052 ( 3.555 5.876 -6.077) 9.170 12.282 ( 10.008 -7.246 4.090) 13.015 12.282 ( 10.008 7.246 4.090) 13.015 13.562 ( -0.066 -3.651 3.227) 4.873 13.562 ( -0.066 3.651 3.227) 4.873 13.915 ( -1.466 -4.207 -0.326) 4.467 13.915 ( -1.466 4.207 -0.326) 4.467 14.837 ( -4.658 -4.908 2.082) 7.080 14.837 ( -4.658 4.908 2.082) 7.080 15.206 ( -0.672 -2.634 1.609) 3.159 15.206 ( -0.672 2.634 1.609) 3.159 16.655 ( -5.793 -1.275 0.926) 6.003 16.655 ( -5.793 1.275 0.926) 6.003 16.997 ( 0.155 -4.127 -3.032) 5.123 16.997 ( 0.155 4.127 -3.032) 5.123 17.607 ( 8.302 -6.170 -5.979) 11.947 17.607 ( 8.302 6.170 -5.979) 11.947 17.988 ( 2.697 -1.008 3.507) 4.538 17.988 ( 2.697 1.008 3.507) 4.538 18.650 ( -3.561 -1.252 6.194) 7.254 18.650 ( -3.561 1.252 6.194) 7.254 18.992 ( 3.022 -8.504 -5.367) 10.500 18.992 ( 3.022 8.504 -5.367) 10.500 28.298 ( 1.323 -1.920 -0.795) 2.464 28.298 ( 1.323 1.920 -0.795) 2.464 28.525 ( 1.206 -1.364 -0.016) 1.821 28.525 ( 1.206 1.364 -0.016) 1.821 29.942 ( -1.612 -6.079 6.015) 8.702 29.942 ( -1.612 6.079 6.015) 8.702 30.384 ( 1.684 -5.547 -2.053) 6.150 30.384 ( 1.684 5.547 -2.053) 6.150 30.754 ( 9.437 -0.528 -1.516) 9.573 30.754 ( 9.437 0.528 -1.516) 9.573 31.731 ( 1.243 -2.695 1.339) 3.256 31.731 ( 1.243 2.695 1.339) 3.256 33.043 ( -9.624 -6.081 -0.789) 11.411 33.043 ( -9.624 6.081 -0.789) 11.411 33.675 ( -7.848 -15.607 -0.682) 17.482 33.675 ( -7.848 15.607 -0.682) 17.482 ======================= Grid point 203 (110/156) ======================= q-point: (-0.27 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -14.670 -15.654 -1.526) 21.508 2.853 ( -14.670 15.654 -1.526) 21.508 3.303 ( -14.899 -6.269 14.413) 21.656 3.303 ( -14.899 6.269 14.413) 21.656 4.478 ( 1.306 -4.460 -1.981) 5.052 4.478 ( 1.306 4.460 -1.981) 5.052 4.712 ( -11.240 -4.777 -0.760) 12.236 4.712 ( -11.240 4.777 -0.760) 12.236 5.098 ( 3.851 -12.047 -2.740) 12.941 5.098 ( 3.851 12.047 -2.740) 12.941 5.447 ( -12.409 -11.931 -4.178) 17.714 5.447 ( -12.409 11.931 -4.178) 17.714 5.972 ( -25.261 -5.841 -0.411) 25.931 5.972 ( -25.261 5.841 -0.411) 25.931 6.029 ( -7.493 -9.990 1.780) 12.614 6.029 ( -7.493 9.990 1.780) 12.614 6.454 ( -0.688 -0.928 7.998) 8.080 6.454 ( -0.688 0.928 7.998) 8.080 6.574 ( -8.155 -5.164 -6.415) 11.590 6.574 ( -8.155 5.164 -6.415) 11.590 7.145 ( -1.103 -8.994 3.570) 9.740 7.145 ( -1.103 8.994 3.570) 9.740 7.860 ( 2.196 -5.198 -5.135) 7.630 7.860 ( 2.196 5.198 -5.135) 7.630 8.324 ( 2.305 -4.959 -0.512) 5.493 8.324 ( 2.305 4.959 -0.512) 5.493 8.744 ( -1.092 -3.235 -2.898) 4.479 8.744 ( -1.092 3.235 -2.898) 4.479 9.190 ( 0.107 -2.600 4.345) 5.065 9.190 ( 0.107 2.600 4.345) 5.065 9.754 ( 2.029 -5.015 -4.525) 7.053 9.754 ( 2.029 5.015 -4.525) 7.053 10.489 ( -1.558 -8.774 5.461) 10.451 10.489 ( -1.558 8.774 5.461) 10.451 10.819 ( 2.038 -8.517 -9.619) 13.008 10.819 ( 2.038 8.517 -9.619) 13.008 11.630 ( -1.656 -10.920 4.271) 11.842 11.630 ( -1.656 10.920 4.271) 11.842 12.063 ( 6.853 -8.924 -7.577) 13.565 12.063 ( 6.853 8.924 -7.577) 13.565 12.532 ( 11.531 -8.048 4.428) 14.742 12.532 ( 11.531 8.048 4.428) 14.742 13.598 ( 0.204 -3.587 3.044) 4.709 13.598 ( 0.204 3.587 3.044) 4.709 13.911 ( 0.611 -5.277 1.106) 5.426 13.911 ( 0.611 5.277 1.106) 5.426 14.790 ( -3.602 -4.735 3.002) 6.664 14.790 ( -3.602 4.735 3.002) 6.664 15.191 ( -3.129 -5.319 1.229) 6.292 15.191 ( -3.129 5.319 1.229) 6.292 16.573 ( -3.845 -1.910 1.131) 4.440 16.573 ( -3.845 1.910 1.131) 4.440 16.923 ( -2.412 -3.568 -5.586) 7.053 16.923 ( -2.412 3.568 -5.586) 7.053 17.677 ( 7.805 -4.282 -7.608) 11.711 17.677 ( 7.805 4.282 -7.608) 11.711 18.130 ( 6.902 -4.337 5.819) 10.016 18.130 ( 6.902 4.337 5.819) 10.016 18.663 ( -2.325 -1.856 6.114) 6.799 18.663 ( -2.325 1.856 6.114) 6.799 18.990 ( 2.094 -7.678 -3.543) 8.712 18.990 ( 2.094 7.678 -3.543) 8.712 28.327 ( 2.263 -2.646 0.077) 3.483 28.327 ( 2.263 2.646 0.077) 3.483 28.550 ( 1.551 -2.500 0.004) 2.943 28.550 ( 1.551 2.500 0.004) 2.943 29.983 ( -1.910 -5.732 7.122) 9.340 29.983 ( -1.910 5.732 7.122) 9.340 30.434 ( 7.448 -7.333 -3.379) 10.985 30.434 ( 7.448 7.333 -3.379) 10.985 30.892 ( 9.174 -1.467 -4.126) 10.165 30.892 ( 9.174 1.467 -4.126) 10.165 31.740 ( -1.981 -4.131 -0.073) 4.581 31.740 ( -1.981 4.131 -0.073) 4.581 32.879 ( -8.292 -9.902 2.115) 13.087 32.879 ( -8.292 9.902 2.115) 13.087 33.461 ( -15.024 -17.850 -1.295) 23.367 33.461 ( -15.024 17.850 -1.295) 23.367 ======================= Grid point 205 (111/156) ======================= q-point: (-0.18 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -13.643 -19.003 1.426) 23.437 2.595 ( -13.643 19.003 1.426) 23.437 3.203 ( -18.424 -11.182 17.941) 28.042 3.203 ( -18.424 11.182 17.941) 28.042 4.168 ( -33.337 -2.092 -4.474) 33.701 4.168 ( -33.337 2.092 -4.474) 33.701 4.512 ( -6.759 -5.771 -5.420) 10.410 4.512 ( -6.759 5.771 -5.420) 10.410 4.797 ( -14.369 -15.967 -4.804) 22.011 4.797 ( -14.369 15.967 -4.804) 22.011 5.331 ( -12.020 -15.357 3.164) 19.757 5.331 ( -12.020 15.357 3.164) 19.757 5.624 ( -10.339 -3.166 -1.304) 10.891 5.624 ( -10.339 3.166 -1.304) 10.891 5.819 ( -2.896 -6.643 -11.154) 13.302 5.819 ( -2.896 6.643 -11.154) 13.302 6.446 ( -0.684 -6.677 -5.366) 8.593 6.446 ( -0.684 6.677 -5.366) 8.593 6.669 ( 8.047 -5.991 13.582) 16.885 6.669 ( 8.047 5.991 13.582) 16.885 7.323 ( 11.839 -11.162 3.519) 16.648 7.323 ( 11.839 11.162 3.519) 16.648 7.827 ( 1.837 -3.847 -9.417) 10.337 7.827 ( 1.837 3.847 -9.417) 10.337 8.395 ( 4.402 -7.055 2.830) 8.784 8.395 ( 4.402 7.055 2.830) 8.784 8.701 ( 0.971 -1.831 -4.031) 4.533 8.701 ( 0.971 1.831 -4.031) 4.533 9.250 ( 0.535 -4.244 6.816) 8.048 9.250 ( 0.535 4.244 6.816) 8.048 9.730 ( -0.038 -6.707 -1.667) 6.911 9.730 ( -0.038 6.707 -1.667) 6.911 10.509 ( -4.409 -6.681 6.414) 10.257 10.509 ( -4.409 6.681 6.414) 10.257 10.767 ( 2.685 -5.440 -5.362) 8.096 10.767 ( 2.685 5.440 -5.362) 8.096 11.540 ( -11.697 -7.703 2.657) 14.255 11.540 ( -11.697 7.703 2.657) 14.255 12.089 ( 7.060 -9.403 -13.481) 17.888 12.089 ( 7.060 9.403 -13.481) 17.888 12.767 ( 8.818 -7.113 5.039) 12.399 12.767 ( 8.818 7.113 5.039) 12.399 13.626 ( -0.984 -4.565 3.202) 5.662 13.626 ( -0.984 4.565 3.202) 5.662 13.955 ( 2.943 -4.458 0.693) 5.386 13.955 ( 2.943 4.458 0.693) 5.386 14.759 ( -4.287 -4.010 3.439) 6.803 14.759 ( -4.287 4.010 3.439) 6.803 15.129 ( -3.016 -4.735 -1.149) 5.730 15.129 ( -3.016 4.735 -1.149) 5.730 16.554 ( -0.848 -1.484 2.550) 3.070 16.554 ( -0.848 1.484 2.550) 3.070 16.818 ( -2.052 -2.671 -5.701) 6.621 16.818 ( -2.052 2.671 -5.701) 6.621 17.726 ( 6.265 -3.648 -6.649) 9.837 17.726 ( 6.265 3.648 -6.649) 9.837 18.327 ( 8.205 -6.340 4.143) 11.166 18.327 ( 8.205 6.340 4.143) 11.166 18.692 ( -0.672 -4.504 3.731) 5.888 18.692 ( -0.672 4.504 3.731) 5.888 19.004 ( 1.274 -6.015 1.479) 6.324 19.004 ( 1.274 6.015 1.479) 6.324 28.376 ( 2.570 -3.331 0.709) 4.267 28.376 ( 2.570 3.331 0.709) 4.267 28.576 ( 1.387 -3.538 -0.131) 3.802 28.576 ( 1.387 3.538 -0.131) 3.802 30.026 ( -2.210 -5.183 7.952) 9.746 30.026 ( -2.210 5.183 7.952) 9.746 30.570 ( 12.300 -7.200 -5.898) 15.425 30.570 ( 12.300 7.200 -5.898) 15.425 31.005 ( 9.526 -3.142 -4.236) 10.888 31.005 ( 9.526 3.142 -4.236) 10.888 31.634 ( -8.189 -3.840 -2.677) 9.432 31.634 ( -8.189 3.840 -2.677) 9.432 32.807 ( -4.835 -15.168 3.652) 16.333 32.807 ( -4.835 15.168 3.652) 16.333 33.132 ( -18.847 -17.357 -0.029) 25.622 33.132 ( -18.847 17.357 -0.029) 25.622 ======================= Grid point 207 (112/156) ======================= q-point: (-0.09 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -20.644 -21.421 5.831) 30.316 2.351 ( -20.644 21.421 5.831) 30.316 2.957 ( -22.951 -14.724 11.867) 29.738 2.957 ( -22.951 14.724 11.867) 29.738 3.617 ( -20.318 -3.558 5.416) 21.326 3.617 ( -20.318 3.558 5.416) 21.326 4.342 ( -0.526 -14.492 -13.415) 19.755 4.342 ( -0.526 14.492 -13.415) 19.755 4.620 ( -8.175 -26.926 5.181) 28.613 4.620 ( -8.175 26.926 5.181) 28.613 5.057 ( -11.319 -9.564 -2.798) 15.081 5.057 ( -11.319 9.564 -2.798) 15.081 5.519 ( -2.017 -8.562 -5.083) 10.160 5.519 ( -2.017 8.562 -5.083) 10.160 5.749 ( 4.035 -9.501 -8.675) 13.484 5.749 ( 4.035 9.501 -8.675) 13.484 6.371 ( -1.131 -11.799 -4.465) 12.666 6.371 ( -1.131 11.799 -4.465) 12.666 6.909 ( 2.471 -5.962 7.985) 10.267 6.909 ( 2.471 5.962 7.985) 10.267 7.552 ( 8.827 -9.686 2.589) 13.358 7.552 ( 8.827 9.686 2.589) 13.358 7.752 ( 2.488 -2.248 -8.336) 8.986 7.752 ( 2.488 2.248 -8.336) 8.986 8.506 ( 1.832 -8.434 4.870) 9.911 8.506 ( 1.832 8.434 4.870) 9.911 8.710 ( 5.615 -3.306 -4.860) 8.129 8.710 ( 5.615 3.306 -4.860) 8.129 9.357 ( 2.312 -7.919 7.335) 11.039 9.357 ( 2.312 7.919 7.335) 11.039 9.759 ( 2.418 -5.739 4.968) 7.966 9.759 ( 2.418 5.739 4.968) 7.966 10.479 ( -4.567 -3.452 5.303) 7.804 10.479 ( -4.567 3.452 5.303) 7.804 10.807 ( 4.061 -6.038 -0.590) 7.301 10.807 ( 4.061 6.038 -0.590) 7.301 11.306 ( -15.726 -6.051 1.760) 16.942 11.306 ( -15.726 6.051 1.760) 16.942 12.016 ( 5.163 -3.476 -19.124) 20.111 12.016 ( 5.163 3.476 -19.124) 20.111 12.942 ( 4.438 -5.444 5.003) 8.624 12.942 ( 4.438 5.444 5.003) 8.624 13.624 ( -2.903 -6.219 2.652) 7.358 13.624 ( -2.903 6.219 2.652) 7.358 14.022 ( 3.587 -2.810 0.424) 4.576 14.022 ( 3.587 2.810 0.424) 4.576 14.709 ( -4.976 -4.525 3.372) 7.524 14.709 ( -4.976 4.525 3.372) 7.524 15.078 ( -0.258 -2.581 -3.195) 4.116 15.078 ( -0.258 2.581 -3.195) 4.116 16.569 ( -1.269 -1.019 2.203) 2.739 16.569 ( -1.269 1.019 2.203) 2.739 16.747 ( 0.540 -3.035 -4.154) 5.173 16.747 ( 0.540 3.035 -4.154) 5.173 17.756 ( 4.080 -3.405 -5.133) 7.388 17.756 ( 4.080 3.405 -5.133) 7.388 18.477 ( 4.204 -4.555 1.831) 6.464 18.477 ( 4.204 4.555 1.831) 6.464 18.713 ( 0.474 -7.629 0.892) 7.695 18.713 ( 0.474 7.629 0.892) 7.695 19.066 ( 0.792 -4.981 5.303) 7.319 19.066 ( 0.792 4.981 5.303) 7.319 28.427 ( 1.927 -3.587 1.077) 4.212 28.427 ( 1.927 3.587 1.077) 4.212 28.592 ( 0.651 -3.824 -0.537) 3.916 28.592 ( 0.651 3.824 -0.537) 3.916 30.070 ( -2.970 -5.115 8.419) 10.289 30.070 ( -2.970 5.115 8.419) 10.289 30.675 ( 8.336 -8.261 -11.954) 16.752 30.675 ( 8.336 8.261 -11.954) 16.752 31.192 ( 12.928 -1.734 0.894) 13.075 31.192 ( 12.928 1.734 0.894) 13.075 31.434 ( -7.222 -4.035 -3.892) 9.143 31.434 ( -7.222 4.035 -3.892) 9.143 32.604 ( -17.491 -6.824 -3.071) 19.025 32.604 ( -17.491 6.824 -3.071) 19.025 32.988 ( -2.300 -10.222 8.349) 13.397 32.988 ( -2.300 10.222 8.349) 13.397 ======================= Grid point 231 (113/156) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 22.934 0.000 29.627) 37.467 2.248 ( -7.238 0.000 31.349) 32.174 2.345 ( -11.898 0.000 -19.806) 23.105 2.871 ( 2.855 0.000 -29.495) 29.633 3.254 ( -3.930 0.000 44.383) 44.557 3.674 ( 2.259 0.000 -0.880) 2.425 3.945 ( -14.176 0.000 -2.279) 14.358 4.177 ( 10.549 0.000 -24.875) 27.020 4.550 ( 4.089 0.000 11.160) 11.885 4.755 ( -8.175 0.000 -10.807) 13.551 5.005 ( 7.483 0.000 1.198) 7.578 5.119 ( -7.301 0.000 -9.966) 12.354 5.134 ( -3.882 0.000 14.301) 14.819 5.423 ( 0.525 0.000 -18.003) 18.010 5.749 ( 5.548 0.000 15.418) 16.386 6.048 ( -5.610 0.000 -16.270) 17.210 6.205 ( 11.529 0.000 6.277) 13.127 6.358 ( -6.692 0.000 -9.877) 11.930 6.721 ( -1.775 0.000 6.498) 6.736 6.839 ( 0.826 0.000 -5.766) 5.825 7.491 ( -21.456 0.000 3.488) 21.737 7.598 ( 21.298 0.000 -7.913) 22.720 7.921 ( 11.720 0.000 2.481) 11.980 7.956 ( -9.081 0.000 -0.732) 9.110 8.207 ( -0.464 0.000 0.915) 1.026 8.216 ( 0.498 0.000 -0.440) 0.665 8.944 ( 0.023 0.000 6.251) 6.251 9.043 ( 1.307 0.000 -3.638) 3.866 9.746 ( 1.641 0.000 15.047) 15.136 9.883 ( 9.756 0.000 0.421) 9.765 10.290 ( -18.009 0.000 1.643) 18.084 10.357 ( 6.846 0.000 -5.063) 8.515 10.549 ( 17.264 0.000 5.811) 18.216 10.633 ( -16.179 0.000 -2.118) 16.317 10.708 ( 15.333 0.000 6.313) 16.582 10.867 ( -20.336 0.000 -11.270) 23.250 11.428 ( -6.643 0.000 4.263) 7.893 11.475 ( 3.308 0.000 -1.748) 3.741 11.540 ( 5.941 0.000 1.526) 6.133 11.657 ( 6.094 0.000 -9.652) 11.415 12.642 ( -0.161 0.000 2.461) 2.466 12.652 ( 5.363 0.000 1.357) 5.532 13.549 ( -0.238 0.000 -1.251) 1.273 13.562 ( -1.871 0.000 -2.645) 3.240 14.134 ( -2.769 0.000 6.117) 6.714 14.216 ( -0.074 0.000 -1.989) 1.990 14.651 ( 0.907 0.000 2.697) 2.845 14.682 ( -3.354 0.000 -1.003) 3.501 15.016 ( -0.891 0.000 -0.510) 1.027 15.044 ( 4.057 0.000 -3.982) 5.685 16.444 ( -5.960 0.000 2.243) 6.368 16.501 ( 5.955 0.000 -3.498) 6.906 16.725 ( 0.198 0.000 1.833) 1.844 16.751 ( 0.760 0.000 -1.114) 1.348 17.774 ( 2.755 0.000 -0.959) 2.917 17.779 ( -3.090 0.000 -1.272) 3.341 18.405 ( 0.346 0.000 8.656) 8.663 18.517 ( 1.923 0.000 -1.710) 2.573 18.727 ( -19.321 0.000 -0.909) 19.342 18.762 ( 12.897 0.000 -3.340) 13.322 19.083 ( -4.891 0.000 5.257) 7.181 19.170 ( 3.137 0.000 -3.740) 4.882 28.268 ( 1.140 0.000 1.595) 1.961 28.298 ( -1.337 0.000 -1.588) 2.076 28.687 ( -2.245 0.000 0.102) 2.247 28.690 ( 2.797 0.000 -0.176) 2.803 29.915 ( -5.479 0.000 2.355) 5.963 29.926 ( 4.378 0.000 0.848) 4.459 30.464 ( -4.930 0.000 9.458) 10.666 30.691 ( 5.953 0.000 -14.097) 15.303 31.233 ( -3.797 0.000 0.365) 3.815 31.244 ( 4.441 0.000 -1.033) 4.559 31.491 ( -10.770 0.000 5.144) 11.935 31.591 ( 4.098 0.000 -5.090) 6.535 31.977 ( 14.489 0.000 6.163) 15.745 32.097 ( -11.969 0.000 -6.376) 13.561 33.557 ( -6.749 0.000 3.366) 7.542 33.599 ( 10.175 0.000 -1.133) 10.238 ======================= Grid point 232 (114/156) ======================= q-point: ( 0.09 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.006 0.000 -30.178) 32.122 2.663 ( 17.877 0.000 -20.927) 27.523 2.690 ( 10.388 0.000 27.717) 29.600 2.771 ( 35.836 0.000 14.548) 38.677 3.680 ( 16.656 0.000 -24.322) 29.478 3.702 ( 0.013 0.000 39.012) 39.012 3.892 ( 15.477 0.000 -6.813) 16.910 4.401 ( 29.994 0.000 0.133) 29.995 4.614 ( 3.831 0.000 -9.936) 10.649 4.829 ( 10.499 0.000 14.996) 18.306 4.906 ( -5.606 0.000 -5.010) 7.518 5.174 ( 2.569 0.000 10.359) 10.673 5.211 ( -6.705 0.000 -10.102) 12.125 5.240 ( 2.952 0.000 12.797) 13.134 5.840 ( 0.473 0.000 -17.351) 17.357 6.043 ( 6.187 0.000 17.700) 18.750 6.094 ( -8.158 0.000 -11.970) 14.486 6.440 ( 8.889 0.000 3.082) 9.408 6.755 ( -4.951 0.000 -4.678) 6.811 6.769 ( -0.361 0.000 6.498) 6.508 7.158 ( -17.985 0.000 6.986) 19.294 7.685 ( -10.365 0.000 -9.143) 13.822 7.901 ( 11.385 0.000 -2.108) 11.578 8.105 ( 2.703 0.000 0.810) 2.822 8.155 ( -3.304 0.000 -2.370) 4.066 8.218 ( 1.399 0.000 0.851) 1.637 8.909 ( -9.631 0.000 5.402) 11.042 8.940 ( -4.263 0.000 -7.931) 9.004 9.756 ( -5.142 0.000 0.546) 5.171 9.831 ( -5.524 0.000 -18.367) 19.180 10.122 ( -11.254 0.000 9.227) 14.553 10.303 ( -15.868 0.000 -2.789) 16.112 10.463 ( -4.311 0.000 -4.858) 6.495 10.590 ( 7.739 0.000 4.224) 8.817 10.858 ( 9.401 0.000 1.746) 9.562 11.045 ( 4.061 0.000 13.536) 14.133 11.325 ( -12.415 0.000 2.802) 12.727 11.377 ( 6.649 0.000 -7.518) 10.036 11.664 ( 7.022 0.000 7.026) 9.934 11.732 ( 12.625 0.000 -14.316) 19.088 12.710 ( 7.048 0.000 -0.761) 7.089 12.748 ( 5.648 0.000 -7.198) 9.149 13.580 ( 3.983 0.000 -0.584) 4.026 13.604 ( 5.142 0.000 4.293) 6.698 14.159 ( -2.058 0.000 6.340) 6.666 14.177 ( -2.170 0.000 -1.954) 2.920 14.616 ( -3.451 0.000 0.399) 3.474 14.715 ( 1.870 0.000 4.174) 4.574 14.974 ( -2.327 0.000 -1.087) 2.568 15.026 ( -1.955 0.000 -3.988) 4.441 16.390 ( -1.293 0.000 2.010) 2.390 16.551 ( 2.894 0.000 -2.806) 4.031 16.728 ( -0.759 0.000 0.405) 0.860 16.732 ( -1.033 0.000 -2.281) 2.504 17.695 ( -5.422 0.000 0.147) 5.424 17.800 ( 0.254 0.000 0.985) 1.017 18.383 ( -10.993 0.000 -3.163) 11.439 18.442 ( -3.404 0.000 4.246) 5.442 18.552 ( -2.508 0.000 2.871) 3.812 18.939 ( 4.332 0.000 0.217) 4.338 19.066 ( -4.515 0.000 6.144) 7.625 19.240 ( 9.448 0.000 -1.851) 9.627 28.261 ( -0.910 0.000 -1.479) 1.736 28.306 ( 1.034 0.000 1.829) 2.101 28.633 ( -3.583 0.000 -0.384) 3.604 28.721 ( 1.122 0.000 -0.666) 1.305 29.845 ( -4.453 0.000 1.426) 4.675 30.019 ( 5.206 0.000 0.225) 5.211 30.464 ( -7.190 0.000 10.945) 13.095 30.610 ( 0.956 0.000 -11.774) 11.813 31.070 ( -13.183 0.000 4.988) 14.095 31.297 ( -0.057 0.000 -3.072) 3.073 31.564 ( -4.105 0.000 -5.093) 6.542 31.583 ( 10.485 0.000 5.944) 12.052 31.968 ( 9.215 0.000 -3.107) 9.724 32.261 ( 8.819 0.000 5.487) 10.387 33.482 ( -2.744 0.000 1.851) 3.310 33.751 ( 10.795 0.000 -7.169) 12.958 ======================= Grid point 233 (115/156) ======================= q-point: ( 0.18 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.708 0.000 -31.279) 32.215 2.677 ( 24.119 0.000 -31.166) 39.408 3.156 ( 11.595 0.000 21.147) 24.117 3.460 ( -5.192 0.000 38.601) 38.948 3.979 ( 39.509 0.000 -18.931) 43.810 4.148 ( 12.508 0.000 14.504) 19.152 4.344 ( 45.818 0.000 -3.772) 45.973 4.523 ( -4.014 0.000 -5.337) 6.678 4.889 ( 2.324 0.000 -5.240) 5.732 4.992 ( 17.286 0.000 2.227) 17.429 5.161 ( 27.721 0.000 1.398) 27.756 5.188 ( 10.483 0.000 10.833) 15.075 5.373 ( 5.674 0.000 18.055) 18.926 5.519 ( 13.168 0.000 11.978) 17.801 5.628 ( -3.647 0.000 -14.540) 14.990 5.910 ( 1.375 0.000 -9.282) 9.383 6.255 ( -4.176 0.000 15.104) 15.670 6.563 ( -9.895 0.000 -3.676) 10.556 6.597 ( 6.213 0.000 -1.077) 6.306 6.872 ( 4.210 0.000 7.718) 8.792 7.036 ( -6.082 0.000 7.856) 9.935 7.340 ( -11.333 0.000 -12.699) 17.021 7.868 ( -19.692 0.000 0.444) 19.697 8.002 ( 3.136 0.000 -2.013) 3.726 8.182 ( 2.708 0.000 -4.303) 5.084 8.291 ( 3.699 0.000 -1.132) 3.868 8.750 ( -12.987 0.000 3.385) 13.421 8.828 ( 3.378 0.000 -9.068) 9.676 9.508 ( -6.225 0.000 -14.646) 15.914 9.692 ( -2.321 0.000 -0.239) 2.334 9.961 ( -13.017 0.000 1.764) 13.136 9.984 ( -15.802 0.000 -3.841) 16.262 10.267 ( -3.527 0.000 -12.455) 12.945 10.838 ( -5.881 0.000 -4.812) 7.598 10.844 ( 3.979 0.000 9.148) 9.976 11.133 ( -1.833 0.000 5.862) 6.142 11.254 ( -0.370 0.000 9.522) 9.529 11.528 ( 14.150 0.000 -5.944) 15.348 11.790 ( 10.622 0.000 -13.200) 16.943 11.986 ( 13.891 0.000 9.825) 17.015 12.703 ( 0.028 0.000 -8.396) 8.396 12.834 ( 5.950 0.000 -0.191) 5.953 13.615 ( -1.033 0.000 -0.772) 1.290 13.822 ( 9.387 0.000 9.943) 13.674 14.098 ( -3.925 0.000 -1.292) 4.132 14.173 ( -2.330 0.000 2.659) 3.535 14.577 ( -3.989 0.000 4.861) 6.288 14.797 ( 2.638 0.000 2.637) 3.730 14.896 ( -7.814 0.000 -1.695) 7.996 14.930 ( -0.970 0.000 -0.829) 1.276 16.457 ( 7.152 0.000 -0.320) 7.159 16.546 ( -0.184 0.000 -1.549) 1.560 16.672 ( -1.272 0.000 -4.388) 4.568 16.721 ( 0.239 0.000 -0.394) 0.461 17.595 ( -7.272 0.000 2.714) 7.762 17.813 ( -0.822 0.000 2.791) 2.910 18.213 ( -6.218 0.000 -1.181) 6.329 18.391 ( -5.192 0.000 0.941) 5.276 18.538 ( -1.050 0.000 0.428) 1.134 18.918 ( -3.150 0.000 -2.171) 3.826 19.054 ( -4.894 0.000 7.365) 8.843 19.380 ( 5.159 0.000 -1.870) 5.488 28.238 ( 0.205 0.000 -1.478) 1.492 28.343 ( 0.998 0.000 1.769) 2.031 28.553 ( -4.454 0.000 -0.985) 4.562 28.715 ( -0.631 0.000 -1.149) 1.311 29.792 ( -3.120 0.000 1.557) 3.487 30.105 ( 5.108 0.000 -2.180) 5.554 30.449 ( -7.809 0.000 11.535) 13.929 30.501 ( -1.180 0.000 -7.370) 7.463 30.924 ( -11.577 0.000 8.344) 14.271 31.015 ( -16.801 0.000 -8.122) 18.661 31.609 ( 11.692 0.000 -6.843) 13.547 31.882 ( 16.064 0.000 3.220) 16.383 32.179 ( 11.147 0.000 1.364) 11.230 32.402 ( 0.935 0.000 4.910) 4.998 33.572 ( 7.160 0.000 8.620) 11.206 33.834 ( 10.092 0.000 -11.105) 15.006 ======================= Grid point 234 (116/156) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 13.682 0.000 -12.643) 18.629 2.865 ( 31.137 0.000 -26.497) 40.886 3.567 ( 13.004 0.000 14.546) 19.511 3.588 ( -21.948 0.000 36.955) 42.981 4.122 ( -8.105 0.000 -11.216) 13.838 4.394 ( 2.829 0.000 13.107) 13.409 4.680 ( 23.136 0.000 2.902) 23.318 4.882 ( 5.018 0.000 1.099) 5.137 5.116 ( 28.749 0.000 -6.955) 29.578 5.340 ( 11.346 0.000 -13.712) 17.797 5.364 ( 3.107 0.000 9.550) 10.042 5.543 ( 6.023 0.000 10.341) 11.967 5.691 ( 27.620 0.000 -3.600) 27.853 5.737 ( 15.489 0.000 12.111) 19.662 5.929 ( 11.480 0.000 8.920) 14.538 5.986 ( 14.086 0.000 -2.214) 14.258 6.289 ( 0.139 0.000 8.454) 8.455 6.393 ( 0.611 0.000 -7.335) 7.360 6.630 ( 2.332 0.000 -4.051) 4.674 6.855 ( -8.046 0.000 1.185) 8.132 7.049 ( -2.102 0.000 3.693) 4.249 7.300 ( 13.891 0.000 -2.572) 14.127 7.602 ( -8.064 0.000 6.122) 10.124 7.992 ( -0.659 0.000 -5.209) 5.251 8.165 ( -0.248 0.000 -1.682) 1.700 8.247 ( -2.706 0.000 -7.509) 7.982 8.557 ( -9.523 0.000 2.090) 9.750 8.840 ( 7.206 0.000 -8.597) 11.218 9.366 ( 0.148 0.000 -3.784) 3.787 9.644 ( -4.077 0.000 0.735) 4.143 9.670 ( -15.511 0.000 -0.659) 15.525 9.750 ( -9.070 0.000 -1.947) 9.277 10.110 ( 1.837 0.000 -12.803) 12.934 10.664 ( -6.022 0.000 -7.311) 9.472 10.912 ( -1.173 0.000 2.899) 3.127 11.135 ( -1.999 0.000 1.757) 2.661 11.458 ( 4.557 0.000 15.191) 15.859 11.678 ( 9.600 0.000 -6.934) 11.842 11.829 ( 6.501 0.000 -8.327) 10.565 12.228 ( 4.005 0.000 3.445) 5.283 12.612 ( -0.423 0.000 -6.741) 6.754 12.891 ( 0.131 0.000 0.447) 0.466 13.505 ( -9.554 0.000 -0.044) 9.555 13.988 ( 0.811 0.000 -4.648) 4.718 14.040 ( -2.523 0.000 0.845) 2.661 14.206 ( 1.214 0.000 10.388) 10.458 14.564 ( -5.573 0.000 7.487) 9.334 14.728 ( -3.462 0.000 -6.479) 7.346 14.888 ( 0.349 0.000 6.310) 6.320 14.927 ( 1.041 0.000 -0.436) 1.128 16.556 ( 2.051 0.000 2.380) 3.142 16.605 ( 10.222 0.000 -2.241) 10.465 16.609 ( 0.290 0.000 -4.965) 4.973 16.732 ( 1.805 0.000 -0.979) 2.053 17.507 ( -7.573 0.000 6.437) 9.939 17.826 ( -2.170 0.000 3.901) 4.464 18.108 ( -3.819 0.000 -2.383) 4.502 18.285 ( -6.299 0.000 -1.063) 6.388 18.531 ( 0.278 0.000 -0.076) 0.288 18.827 ( -3.395 0.000 -2.922) 4.479 19.048 ( -5.422 0.000 8.592) 10.160 19.362 ( -0.111 0.000 -7.735) 7.736 28.237 ( 1.554 0.000 -1.703) 2.306 28.378 ( 0.866 0.000 1.165) 1.451 28.460 ( -4.281 0.000 -0.950) 4.386 28.676 ( -2.019 0.000 -1.516) 2.524 29.772 ( -1.612 0.000 2.759) 3.196 30.142 ( 4.018 0.000 -6.124) 7.325 30.414 ( -1.646 0.000 -4.376) 4.675 30.434 ( -7.706 0.000 11.710) 14.018 30.710 ( -8.152 0.000 -4.703) 9.411 30.813 ( -11.102 0.000 7.798) 13.567 31.703 ( 5.922 0.000 -5.391) 8.008 32.182 ( 12.951 0.000 1.775) 13.072 32.387 ( 13.309 0.000 -2.149) 13.481 32.415 ( -2.782 0.000 2.840) 3.975 33.848 ( 6.234 0.000 15.037) 16.278 33.896 ( 11.314 0.000 -12.216) 16.651 ======================= Grid point 235 (117/156) ======================= q-point: ( 0.36 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 24.633 0.000 8.499) 26.058 3.196 ( 31.664 0.000 -18.255) 36.550 3.511 ( -25.149 0.000 28.255) 37.826 3.865 ( -2.942 0.000 -5.117) 5.902 3.898 ( 2.169 0.000 12.500) 12.687 4.591 ( 1.490 0.000 17.161) 17.226 4.917 ( -6.875 0.000 -2.113) 7.193 4.984 ( -15.611 0.000 -13.992) 20.964 5.069 ( 19.921 0.000 -1.615) 19.987 5.454 ( 13.544 0.000 12.094) 18.158 5.618 ( 4.041 0.000 9.364) 10.199 5.643 ( -4.909 0.000 11.333) 12.350 5.945 ( -3.721 0.000 -10.965) 11.579 6.040 ( 3.836 0.000 3.349) 5.092 6.073 ( 10.932 0.000 -13.417) 17.307 6.138 ( 5.273 0.000 4.390) 6.861 6.339 ( -7.501 0.000 3.668) 8.350 6.687 ( 5.895 0.000 10.760) 12.269 6.697 ( 40.368 0.000 -6.477) 40.885 6.997 ( -2.120 0.000 0.448) 2.167 7.121 ( 28.050 0.000 2.093) 28.128 7.396 ( 1.111 0.000 -9.277) 9.343 7.758 ( 9.409 0.000 9.158) 13.130 7.926 ( 4.577 0.000 -10.329) 11.298 8.097 ( -4.887 0.000 -3.491) 6.006 8.151 ( -0.995 0.000 1.736) 2.001 8.504 ( -2.383 0.000 6.085) 6.535 8.860 ( 5.099 0.000 -9.631) 10.898 9.302 ( -2.455 0.000 -7.081) 7.495 9.520 ( -4.788 0.000 8.938) 10.140 9.547 ( -6.957 0.000 1.345) 7.086 9.622 ( -5.870 0.000 1.144) 5.980 10.064 ( 6.321 0.000 -10.028) 11.854 10.459 ( -7.012 0.000 -9.164) 11.539 10.909 ( 0.882 0.000 -1.907) 2.101 11.100 ( -3.010 0.000 -0.663) 3.083 11.653 ( -1.023 0.000 12.978) 13.018 11.736 ( 7.435 0.000 -8.456) 11.259 11.848 ( -0.331 0.000 2.052) 2.079 12.211 ( -4.131 0.000 -4.104) 5.823 12.553 ( 1.433 0.000 -5.481) 5.665 12.850 ( -5.109 0.000 0.372) 5.122 13.355 ( -6.555 0.000 2.518) 7.022 13.867 ( -2.758 0.000 -10.587) 10.941 14.011 ( -3.273 0.000 3.638) 4.894 14.286 ( -3.122 0.000 4.514) 5.488 14.530 ( -6.161 0.000 5.719) 8.406 14.635 ( 1.194 0.000 -7.160) 7.259 14.948 ( 1.683 0.000 -0.134) 1.688 14.951 ( 0.039 0.000 4.429) 4.429 16.591 ( 2.123 0.000 -1.321) 2.500 16.673 ( 4.692 0.000 5.480) 7.215 16.756 ( 8.305 0.000 -2.588) 8.699 16.757 ( 3.188 0.000 -1.987) 3.757 17.483 ( -4.661 0.000 10.282) 11.289 17.810 ( -4.000 0.000 3.607) 5.386 18.024 ( -1.695 0.000 -3.909) 4.261 18.153 ( -6.075 0.000 -2.391) 6.529 18.551 ( 1.784 0.000 0.295) 1.809 18.745 ( -2.301 0.000 -2.777) 3.607 19.038 ( -6.623 0.000 9.372) 11.476 19.265 ( 1.409 0.000 -10.748) 10.840 28.254 ( 2.531 0.000 -2.064) 3.266 28.349 ( -3.139 0.000 -1.520) 3.488 28.440 ( 0.644 0.000 2.255) 2.346 28.617 ( -2.457 0.000 -1.672) 2.972 29.794 ( -0.595 0.000 4.763) 4.800 30.125 ( 2.883 0.000 -8.170) 8.664 30.364 ( 1.244 0.000 -2.896) 3.152 30.425 ( -6.977 0.000 10.938) 12.974 30.602 ( -1.826 0.000 -1.520) 2.376 30.687 ( -10.747 0.000 5.186) 11.933 31.748 ( 4.568 0.000 -1.509) 4.811 32.244 ( -7.115 0.000 1.248) 7.224 32.497 ( 9.338 0.000 0.295) 9.342 32.590 ( 12.271 0.000 -4.230) 12.980 33.987 ( 12.878 0.000 -11.033) 16.958 34.040 ( -2.560 0.000 13.495) 13.735 ======================= Grid point 236 (118/156) ======================= q-point: ( 0.45 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 28.083 0.000 14.614) 31.658 3.257 ( -29.309 0.000 20.609) 35.829 3.616 ( 30.364 0.000 -14.237) 33.536 3.857 ( 0.195 0.000 0.191) 0.273 3.904 ( -12.257 0.000 10.432) 16.095 4.492 ( -16.283 0.000 -17.426) 23.850 4.813 ( -0.557 0.000 19.391) 19.399 4.835 ( 3.476 0.000 3.353) 4.830 5.323 ( 8.589 0.000 -6.790) 10.949 5.496 ( -15.699 0.000 -15.036) 21.738 5.708 ( 4.657 0.000 10.435) 11.427 5.762 ( -5.829 0.000 6.518) 8.744 5.900 ( 11.892 0.000 12.516) 17.264 6.136 ( 11.228 0.000 -1.871) 11.382 6.138 ( 4.827 0.000 0.253) 4.834 6.216 ( 0.500 0.000 4.987) 5.012 6.226 ( -7.621 0.000 0.980) 7.684 6.764 ( -7.856 0.000 -2.506) 8.246 6.959 ( 5.347 0.000 -2.681) 5.982 7.162 ( -4.218 0.000 -10.797) 11.591 7.402 ( 32.244 0.000 -3.025) 32.385 7.687 ( 17.665 0.000 2.644) 17.862 7.768 ( -6.450 0.000 -7.123) 9.609 7.888 ( -6.303 0.000 5.822) 8.581 8.127 ( 4.216 0.000 2.198) 4.754 8.183 ( 1.496 0.000 1.284) 1.971 8.551 ( -1.488 0.000 8.260) 8.393 8.810 ( 2.074 0.000 -10.693) 10.892 9.258 ( 6.374 0.000 -3.890) 7.468 9.403 ( -13.600 0.000 3.355) 14.008 9.569 ( -1.290 0.000 2.478) 2.793 9.569 ( -0.345 0.000 5.084) 5.096 10.104 ( 7.510 0.000 -6.547) 9.963 10.243 ( -5.673 0.000 -8.263) 10.023 10.926 ( 5.414 0.000 -4.416) 6.986 11.005 ( -5.381 0.000 -2.529) 5.946 11.720 ( -2.443 0.000 7.913) 8.282 11.801 ( 8.935 0.000 -7.035) 11.372 11.827 ( -10.467 0.000 11.137) 15.284 12.065 ( -2.063 0.000 -8.676) 8.918 12.576 ( 6.831 0.000 -2.760) 7.367 12.725 ( -8.220 0.000 -0.911) 8.271 13.355 ( 0.662 0.000 6.636) 6.669 13.684 ( -4.809 0.000 -10.578) 11.620 14.021 ( -0.568 0.000 5.738) 5.766 14.225 ( -2.806 0.000 -3.745) 4.679 14.475 ( -6.431 0.000 6.295) 8.999 14.602 ( 3.513 0.000 -7.418) 8.208 14.981 ( -0.860 0.000 2.565) 2.705 14.983 ( 2.033 0.000 0.122) 2.037 16.646 ( 2.882 0.000 2.050) 3.537 16.756 ( -0.191 0.000 -2.334) 2.342 16.785 ( 0.889 0.000 4.708) 4.791 16.862 ( 6.137 0.000 -3.871) 7.256 17.563 ( 0.322 0.000 11.216) 11.221 17.776 ( -1.978 0.000 0.687) 2.094 17.970 ( 0.320 0.000 -3.445) 3.460 18.030 ( -4.179 0.000 -2.990) 5.138 18.594 ( 1.980 0.000 0.998) 2.217 18.683 ( -1.581 0.000 -2.576) 3.023 19.013 ( -7.671 0.000 10.111) 12.691 19.203 ( 4.381 0.000 -10.234) 11.132 28.278 ( 2.576 0.000 -2.218) 3.399 28.286 ( -2.656 0.000 -0.236) 2.666 28.481 ( 1.234 0.000 2.056) 2.398 28.561 ( -1.653 0.000 -1.734) 2.396 29.847 ( -0.779 0.000 7.042) 7.085 30.071 ( 0.847 0.000 -8.366) 8.409 30.408 ( 6.095 0.000 -1.363) 6.246 30.415 ( -6.021 0.000 8.317) 10.267 30.555 ( -8.138 0.000 3.267) 8.769 30.583 ( 2.189 0.000 -2.851) 3.595 31.857 ( 7.384 0.000 1.932) 7.632 32.086 ( -9.189 0.000 -1.508) 9.312 32.628 ( 3.422 0.000 1.235) 3.638 32.703 ( 5.101 0.000 -4.417) 6.748 34.050 ( -9.856 0.000 10.316) 14.267 34.113 ( 13.050 0.000 -9.265) 16.004 ======================= Grid point 237 (119/156) ======================= q-point: (-0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -31.592 0.000 6.421) 32.238 3.339 ( 8.410 0.000 11.915) 14.585 3.473 ( -13.963 0.000 0.200) 13.964 3.914 ( 8.300 0.000 -8.639) 11.980 4.149 ( 3.486 0.000 -13.413) 13.858 4.197 ( 16.069 0.000 13.959) 21.285 4.863 ( -12.068 0.000 2.935) 12.420 5.038 ( 6.980 0.000 1.480) 7.135 5.172 ( -7.120 0.000 4.394) 8.367 5.304 ( 4.970 0.000 -1.933) 5.333 5.703 ( -8.398 0.000 6.753) 10.777 5.904 ( 5.550 0.000 -2.688) 6.166 6.076 ( 2.500 0.000 7.894) 8.280 6.091 ( -4.602 0.000 -5.517) 7.185 6.153 ( -4.104 0.000 -5.182) 6.610 6.227 ( 5.807 0.000 -3.597) 6.830 6.457 ( -9.050 0.000 -14.278) 16.905 6.570 ( 16.940 0.000 15.479) 22.947 6.980 ( -7.766 0.000 -6.261) 9.976 7.061 ( 5.780 0.000 0.968) 5.861 7.362 ( -27.419 0.000 1.541) 27.463 7.651 ( -19.078 0.000 2.890) 19.295 7.752 ( 3.615 0.000 -2.024) 4.143 7.992 ( 9.604 0.000 -4.996) 10.825 8.144 ( -7.414 0.000 0.872) 7.465 8.171 ( -1.715 0.000 2.449) 2.989 8.632 ( 0.351 0.000 8.471) 8.478 8.724 ( 1.041 0.000 -10.385) 10.437 9.218 ( -5.999 0.000 1.331) 6.145 9.410 ( 7.851 0.000 2.227) 8.161 9.593 ( 0.055 0.000 2.189) 2.190 9.602 ( 2.588 0.000 -0.678) 2.675 10.095 ( -3.122 0.000 -5.563) 6.379 10.177 ( 6.158 0.000 -2.112) 6.510 10.896 ( -2.981 0.000 -1.639) 3.402 11.016 ( 9.326 0.000 -4.117) 10.195 11.655 ( -12.711 0.000 8.492) 15.286 11.834 ( 1.158 0.000 -5.139) 5.268 11.883 ( 3.943 0.000 10.854) 11.548 12.032 ( 8.405 0.000 -9.626) 12.779 12.562 ( -7.732 0.000 -1.169) 7.820 12.714 ( 8.867 0.000 -0.006) 8.867 13.488 ( 3.319 0.000 9.896) 10.438 13.496 ( -3.923 0.000 -8.093) 8.993 14.121 ( 4.178 0.000 6.549) 7.768 14.137 ( -0.376 0.000 -6.376) 6.387 14.455 ( -4.366 0.000 8.144) 9.241 14.599 ( 4.545 0.000 -6.492) 7.924 14.978 ( -1.312 0.000 0.749) 1.511 15.014 ( 1.691 0.000 -0.866) 1.900 16.692 ( -3.733 0.000 -2.776) 4.651 16.709 ( 0.787 0.000 2.692) 2.805 16.798 ( -3.920 0.000 2.922) 4.890 16.882 ( 1.628 0.000 -5.453) 5.691 17.709 ( 3.891 0.000 7.945) 8.847 17.750 ( 2.457 0.000 -7.282) 7.685 17.953 ( -1.162 0.000 -2.120) 2.417 17.982 ( 2.737 0.000 1.503) 3.123 18.630 ( -1.285 0.000 -2.658) 2.953 18.639 ( 1.383 0.000 1.940) 2.383 18.992 ( -7.408 0.000 11.745) 13.886 19.194 ( 5.652 0.000 -8.880) 10.526 28.247 ( -2.229 0.000 0.843) 2.383 28.299 ( 2.204 0.000 -1.467) 2.648 28.521 ( -0.574 0.000 -2.233) 2.305 28.528 ( 1.806 0.000 1.769) 2.528 29.907 ( -2.158 0.000 8.826) 9.086 29.981 ( -1.237 0.000 -7.232) 7.337 30.364 ( -6.334 0.000 3.412) 7.194 30.510 ( -1.665 0.000 4.552) 4.847 30.539 ( 10.426 0.000 -3.182) 10.901 30.618 ( 6.183 0.000 -4.221) 7.486 31.908 ( -7.643 0.000 -3.067) 8.236 32.040 ( 9.534 0.000 3.121) 10.032 32.632 ( -5.526 0.000 2.821) 6.204 32.672 ( -3.812 0.000 -3.357) 5.079 33.937 ( -13.702 0.000 9.162) 16.483 34.236 ( 11.092 0.000 -9.020) 14.296 ======================= Grid point 238 (120/156) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -31.688 0.000 -4.607) 32.022 2.890 ( -36.984 0.000 12.375) 39.000 3.814 ( -5.105 0.000 -0.932) 5.190 3.851 ( 23.701 0.000 -5.258) 24.277 4.136 ( 1.712 0.000 -13.002) 13.114 4.655 ( 13.884 0.000 12.295) 18.545 4.768 ( -2.616 0.000 11.270) 11.570 4.949 ( -0.035 0.000 -12.572) 12.573 5.028 ( -19.016 0.000 1.589) 19.082 5.608 ( 10.265 0.000 14.115) 17.453 5.654 ( -8.824 0.000 2.497) 9.170 5.840 ( -7.396 0.000 -11.625) 13.778 5.876 ( -0.249 0.000 -5.405) 5.410 5.964 ( -4.416 0.000 -6.865) 8.163 6.095 ( -1.655 0.000 -5.265) 5.519 6.258 ( -5.738 0.000 -7.202) 9.208 6.353 ( 5.052 0.000 3.399) 6.089 6.577 ( -35.653 0.000 4.413) 35.926 6.855 ( -3.082 0.000 -4.253) 5.252 7.061 ( 0.788 0.000 -5.961) 6.013 7.087 ( -13.326 0.000 5.979) 14.605 7.252 ( -11.839 0.000 2.393) 12.079 7.713 ( -6.836 0.000 11.207) 13.127 7.938 ( -4.792 0.000 -9.526) 10.663 8.079 ( 1.331 0.000 -0.594) 1.457 8.158 ( -1.628 0.000 1.261) 2.059 8.631 ( -0.052 0.000 -7.923) 7.923 8.715 ( -0.549 0.000 5.712) 5.738 9.232 ( 4.187 0.000 0.562) 4.224 9.512 ( 1.619 0.000 5.111) 5.361 9.613 ( 1.075 0.000 0.768) 1.321 9.661 ( 3.762 0.000 -2.685) 4.621 9.995 ( -2.184 0.000 -4.234) 4.764 10.308 ( 6.849 0.000 5.423) 8.736 10.884 ( 2.299 0.000 0.091) 2.301 11.126 ( 6.679 0.000 -3.800) 7.685 11.562 ( -8.118 0.000 9.923) 12.821 11.773 ( -3.352 0.000 -2.430) 4.140 12.009 ( -0.329 0.000 -11.964) 11.968 12.109 ( 8.887 0.000 6.700) 11.130 12.476 ( -2.017 0.000 2.309) 3.066 12.851 ( 5.574 0.000 0.232) 5.578 13.416 ( 3.079 0.000 -3.865) 4.942 13.660 ( 3.274 0.000 10.798) 11.284 14.084 ( 0.314 0.000 -3.922) 3.935 14.290 ( 7.340 0.000 3.939) 8.330 14.495 ( -0.355 0.000 7.462) 7.470 14.629 ( 5.592 0.000 -4.985) 7.491 14.957 ( -0.785 0.000 -0.871) 1.173 15.020 ( 0.942 0.000 -2.600) 2.765 16.588 ( -4.495 0.000 -1.371) 4.700 16.718 ( -6.920 0.000 1.174) 7.018 16.728 ( -1.023 0.000 1.463) 1.785 16.800 ( -2.995 0.000 -7.533) 8.107 17.704 ( 4.722 0.000 -12.379) 13.249 17.852 ( 5.220 0.000 2.393) 5.742 17.942 ( 0.449 0.000 1.303) 1.378 18.095 ( 5.896 0.000 3.970) 7.108 18.584 ( -0.320 0.000 -2.941) 2.959 18.688 ( 1.226 0.000 3.174) 3.403 19.019 ( -4.789 0.000 14.684) 15.445 19.201 ( 4.923 0.000 -7.901) 9.309 28.222 ( -1.859 0.000 1.206) 2.216 28.333 ( 2.373 0.000 0.245) 2.386 28.487 ( -0.177 0.000 -2.919) 2.924 28.585 ( 2.453 0.000 1.727) 3.000 29.886 ( -1.565 0.000 -5.232) 5.461 29.955 ( -3.404 0.000 9.509) 10.100 30.306 ( -3.430 0.000 3.335) 4.784 30.560 ( 2.054 0.000 3.185) 3.790 30.639 ( 9.583 0.000 -11.004) 14.591 30.756 ( 11.730 0.000 -1.857) 11.876 31.760 ( -5.268 0.000 -2.623) 5.885 32.235 ( 7.782 0.000 2.092) 8.058 32.499 ( -13.307 0.000 4.774) 14.137 32.514 ( -9.787 0.000 -1.593) 9.916 33.786 ( -13.988 0.000 10.014) 17.203 34.288 ( 6.498 0.000 -12.096) 13.731 ======================= Grid point 239 (121/156) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -27.172 0.000 -1.597) 27.219 2.409 ( -35.950 0.000 20.967) 41.617 3.654 ( -18.560 0.000 6.196) 19.567 4.091 ( 6.355 0.000 -7.940) 10.170 4.100 ( 15.893 0.000 -15.706) 22.345 4.575 ( -30.407 0.000 3.890) 30.654 4.616 ( -7.522 0.000 -9.910) 12.441 4.841 ( -9.134 0.000 13.265) 16.106 4.995 ( -13.207 0.000 4.767) 14.041 5.320 ( -11.975 0.000 -10.849) 16.159 5.554 ( -14.081 0.000 -7.586) 15.995 5.593 ( -26.082 0.000 4.815) 26.523 5.808 ( -4.913 0.000 -14.697) 15.497 5.873 ( 0.704 0.000 -4.143) 4.203 5.982 ( -16.954 0.000 -1.009) 16.984 6.029 ( -3.576 0.000 -0.978) 3.708 6.268 ( 1.370 0.000 4.892) 5.080 6.426 ( -1.546 0.000 -5.290) 5.512 6.519 ( -11.115 0.000 6.985) 13.127 6.889 ( 2.254 0.000 -2.676) 3.499 7.119 ( 8.513 0.000 -4.455) 9.608 7.272 ( -4.352 0.000 1.297) 4.541 7.781 ( 5.314 0.000 -12.119) 13.233 7.862 ( 7.542 0.000 8.392) 11.283 8.121 ( 0.502 0.000 4.006) 4.038 8.129 ( -3.758 0.000 2.187) 4.348 8.590 ( 3.349 0.000 -2.314) 4.070 8.719 ( -4.539 0.000 3.904) 5.987 9.309 ( 1.522 0.000 1.669) 2.259 9.637 ( 4.348 0.000 3.598) 5.644 9.670 ( 0.973 0.000 3.898) 4.018 9.684 ( 6.170 0.000 2.036) 6.497 9.954 ( 1.405 0.000 0.340) 1.446 10.509 ( 6.411 0.000 8.322) 10.505 10.954 ( 5.601 0.000 -1.663) 5.843 11.180 ( 4.093 0.000 -2.929) 5.033 11.536 ( -7.151 0.000 7.753) 10.547 11.647 ( -10.629 0.000 1.244) 10.701 11.800 ( -6.934 0.000 -11.280) 13.241 12.267 ( 3.260 0.000 -0.503) 3.298 12.499 ( -0.572 0.000 4.956) 4.989 12.900 ( -0.240 0.000 -0.500) 0.554 13.514 ( 8.970 0.000 -0.824) 9.008 13.832 ( 3.347 0.000 9.733) 10.292 14.050 ( -1.584 0.000 -0.118) 1.588 14.390 ( 2.773 0.000 -6.226) 6.815 14.604 ( 4.176 0.000 6.043) 7.345 14.684 ( 5.681 0.000 -4.729) 7.392 14.940 ( 0.924 0.000 -2.209) 2.395 14.994 ( 0.633 0.000 -4.427) 4.472 16.530 ( -2.188 0.000 2.460) 3.293 16.591 ( -6.905 0.000 -0.657) 6.937 16.641 ( -4.726 0.000 -6.600) 8.118 16.721 ( -0.627 0.000 0.325) 0.706 17.674 ( 6.123 0.000 -10.918) 12.517 17.902 ( 1.845 0.000 -4.032) 4.434 18.019 ( 2.413 0.000 6.696) 7.117 18.249 ( 6.823 0.000 2.697) 7.337 18.565 ( 2.089 0.000 -3.377) 3.971 18.756 ( 1.886 0.000 4.503) 4.882 19.145 ( 0.390 0.000 15.606) 15.611 19.195 ( 3.351 0.000 -6.992) 7.753 28.208 ( -1.024 0.000 1.194) 1.573 28.379 ( 0.975 0.000 0.970) 1.376 28.467 ( 2.049 0.000 -1.891) 2.788 28.647 ( 2.291 0.000 1.582) 2.784 29.823 ( -0.423 0.000 -2.931) 2.961 29.991 ( -3.867 0.000 9.217) 9.996 30.328 ( 0.688 0.000 5.252) 5.297 30.646 ( 4.822 0.000 2.570) 5.464 30.678 ( 9.548 0.000 -13.349) 16.412 30.938 ( 12.276 0.000 -5.169) 13.320 31.655 ( -5.634 0.000 -0.443) 5.652 32.199 ( -13.424 0.000 -0.282) 13.427 32.297 ( -14.705 0.000 6.795) 16.199 32.445 ( 3.609 0.000 -0.154) 3.612 33.673 ( -11.044 0.000 11.181) 15.716 34.172 ( -2.202 0.000 -18.418) 18.549 ======================= Grid point 240 (122/156) ======================= q-point: (-0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -18.267 0.000 18.616) 26.081 2.093 ( -29.127 0.000 30.075) 41.867 3.323 ( -30.888 0.000 16.976) 35.246 3.737 ( -29.724 0.000 -9.375) 31.167 4.003 ( -10.550 0.000 -17.591) 20.512 4.284 ( -50.795 0.000 1.215) 50.809 4.431 ( -0.092 0.000 7.087) 7.087 4.433 ( 0.928 0.000 -15.744) 15.772 4.755 ( -6.099 0.000 8.326) 10.321 5.076 ( -11.199 0.000 -3.276) 11.669 5.159 ( -30.531 0.000 -0.519) 30.535 5.336 ( -7.900 0.000 -4.349) 9.018 5.467 ( -7.995 0.000 3.098) 8.574 5.681 ( -17.455 0.000 -10.433) 20.335 5.783 ( 1.547 0.000 -17.994) 18.060 5.855 ( 2.330 0.000 -4.261) 4.857 6.466 ( 9.894 0.000 5.834) 11.486 6.474 ( 11.200 0.000 -6.748) 13.075 6.574 ( -0.081 0.000 1.334) 1.336 7.036 ( 0.247 0.000 -7.679) 7.683 7.130 ( 4.812 0.000 6.453) 8.050 7.207 ( 9.908 0.000 -8.903) 13.320 7.924 ( 17.363 0.000 -5.544) 18.226 7.979 ( -1.076 0.000 0.431) 1.159 8.094 ( -2.513 0.000 4.069) 4.782 8.200 ( -0.145 0.000 8.006) 8.008 8.676 ( -4.406 0.000 6.438) 7.802 8.738 ( 11.167 0.000 4.252) 11.949 9.321 ( -1.760 0.000 4.677) 4.997 9.652 ( -1.032 0.000 3.612) 3.756 9.882 ( 9.948 0.000 7.480) 12.447 9.911 ( 13.524 0.000 7.480) 15.455 10.085 ( 9.499 0.000 4.982) 10.726 10.706 ( 6.280 0.000 8.385) 10.476 10.995 ( 0.786 0.000 -6.798) 6.843 11.206 ( -0.491 0.000 -0.248) 0.550 11.426 ( -9.652 0.000 -2.748) 10.035 11.449 ( -6.963 0.000 0.950) 7.028 11.601 ( -8.597 0.000 1.113) 8.668 12.174 ( -8.033 0.000 -9.660) 12.564 12.556 ( -0.578 0.000 7.162) 7.185 12.829 ( -7.173 0.000 -0.159) 7.175 13.628 ( 3.367 0.000 -1.750) 3.795 13.931 ( -2.899 0.000 1.249) 3.156 14.051 ( 0.281 0.000 3.611) 3.622 14.264 ( -2.228 0.000 -10.452) 10.687 14.685 ( 0.122 0.000 -4.725) 4.727 14.734 ( 2.152 0.000 4.738) 5.204 14.951 ( 3.931 0.000 -3.684) 5.388 14.967 ( 2.888 0.000 -4.743) 5.553 16.480 ( -3.095 0.000 -2.495) 3.976 16.542 ( -1.321 0.000 -1.233) 1.807 16.570 ( 1.053 0.000 5.804) 5.899 16.721 ( 0.826 0.000 -0.455) 0.943 17.688 ( 5.992 0.000 -7.055) 9.256 17.871 ( -0.306 0.000 -3.249) 3.263 18.137 ( 2.972 0.000 6.324) 6.987 18.382 ( 5.370 0.000 1.537) 5.586 18.584 ( 4.392 0.000 -4.039) 5.966 18.849 ( 2.352 0.000 5.188) 5.696 19.177 ( 2.409 0.000 -5.693) 6.182 19.306 ( 0.814 0.000 7.137) 7.183 28.212 ( 0.045 0.000 1.171) 1.172 28.369 ( -1.088 0.000 -0.921) 1.426 28.535 ( 4.851 0.000 0.855) 4.926 28.694 ( 1.129 0.000 1.139) 1.604 29.811 ( 1.380 0.000 -0.846) 1.618 30.008 ( -4.606 0.000 7.602) 8.888 30.404 ( 0.922 0.000 3.820) 3.930 30.698 ( 9.303 0.000 -14.257) 17.023 30.860 ( 14.891 0.000 8.075) 16.939 31.074 ( 10.463 0.000 -7.257) 12.734 31.516 ( -10.794 0.000 2.449) 11.069 31.926 ( -14.677 0.000 -1.384) 14.742 32.156 ( -9.257 0.000 4.746) 10.403 32.465 ( -1.498 0.000 -1.692) 2.259 33.630 ( -7.151 0.000 10.434) 12.649 33.818 ( -12.844 0.000 -18.557) 22.569 ======================= Grid point 241 (123/156) ======================= q-point: (-0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -10.994 0.000 33.827) 35.569 2.038 ( -16.337 0.000 35.758) 39.313 3.049 ( -26.603 0.000 38.408) 46.721 3.149 ( -46.233 0.000 -16.565) 49.112 3.207 ( -9.552 0.000 -22.825) 24.743 3.778 ( -17.625 0.000 4.804) 18.268 4.310 ( 7.329 0.000 -24.781) 25.842 4.408 ( -32.554 0.000 -1.585) 32.593 4.449 ( -3.700 0.000 7.620) 8.471 4.936 ( 1.974 0.000 -4.836) 5.224 5.003 ( 2.046 0.000 11.794) 11.970 5.076 ( -11.914 0.000 -10.759) 16.053 5.358 ( -8.563 0.000 -8.761) 12.251 5.535 ( 0.266 0.000 14.702) 14.705 5.596 ( 3.744 0.000 -23.437) 23.734 5.951 ( 9.612 0.000 2.343) 9.893 6.373 ( -8.107 0.000 -15.777) 17.738 6.527 ( -1.381 0.000 -7.827) 7.947 6.657 ( 3.400 0.000 5.403) 6.384 6.880 ( -0.114 0.000 -5.658) 5.659 7.336 ( 17.652 0.000 -10.712) 20.648 7.495 ( 13.267 0.000 11.014) 17.243 7.889 ( -8.563 0.000 -0.560) 8.581 8.052 ( -4.168 0.000 6.273) 7.532 8.172 ( 7.939 0.000 -4.570) 9.160 8.212 ( -2.591 0.000 1.761) 3.133 8.778 ( 6.406 0.000 8.661) 10.773 8.970 ( 9.266 0.000 -0.303) 9.271 9.459 ( 4.152 0.000 19.111) 19.557 9.712 ( 3.376 0.000 4.937) 5.981 10.183 ( 13.920 0.000 8.316) 16.215 10.224 ( 14.333 0.000 -1.296) 14.392 10.349 ( 12.222 0.000 5.502) 13.403 10.735 ( -17.323 0.000 -7.849) 19.018 10.862 ( -2.978 0.000 1.424) 3.301 11.194 ( -1.812 0.000 11.939) 12.076 11.327 ( 1.086 0.000 -15.580) 15.618 11.401 ( 8.008 0.000 -2.485) 8.385 11.498 ( -8.656 0.000 7.427) 11.405 11.830 ( -12.664 0.000 -10.865) 16.686 12.616 ( -1.740 0.000 7.090) 7.300 12.672 ( -9.709 0.000 2.831) 10.114 13.602 ( -2.063 0.000 -2.673) 3.376 13.724 ( -9.285 0.000 -8.063) 12.298 14.109 ( -0.436 0.000 5.052) 5.071 14.222 ( 1.021 0.000 -0.810) 1.303 14.638 ( -0.732 0.000 -0.939) 1.191 14.746 ( -2.842 0.000 0.355) 2.864 14.996 ( 5.458 0.000 -3.996) 6.764 15.004 ( 3.118 0.000 -1.024) 3.282 16.447 ( 3.382 0.000 -3.788) 5.078 16.511 ( -3.079 0.000 1.198) 3.304 16.669 ( 2.359 0.000 4.472) 5.056 16.738 ( 1.587 0.000 -0.780) 1.768 17.729 ( 4.724 0.000 -3.516) 5.889 17.831 ( -1.003 0.000 -2.147) 2.370 18.268 ( 3.511 0.000 7.751) 8.509 18.472 ( 3.355 0.000 0.795) 3.448 18.635 ( 7.093 0.000 -5.035) 8.698 18.921 ( -1.255 0.000 3.117) 3.360 19.166 ( 2.403 0.000 -4.333) 4.955 19.231 ( -11.722 0.000 -1.688) 11.843 28.234 ( 0.856 0.000 1.298) 1.555 28.337 ( -1.134 0.000 -1.391) 1.794 28.626 ( 4.219 0.000 0.377) 4.236 28.708 ( -0.555 0.000 0.604) 0.820 29.851 ( 3.095 0.000 0.493) 3.134 29.981 ( -5.662 0.000 4.546) 7.261 30.441 ( -1.859 0.000 5.730) 6.024 30.707 ( 8.776 0.000 -14.350) 16.821 31.167 ( 7.910 0.000 -5.286) 9.513 31.229 ( 5.925 0.000 4.292) 7.316 31.450 ( 7.367 0.000 6.635) 9.914 31.681 ( -8.165 0.000 -4.330) 9.242 31.956 ( -15.526 0.000 -1.204) 15.572 32.346 ( -8.702 0.000 -3.415) 9.348 33.516 ( -3.212 0.000 -2.668) 4.175 33.615 ( -6.034 0.000 7.344) 9.505 ======================= Grid point 242 (124/156) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 14.986 3.657 29.366) 33.171 2.335 ( -10.561 -0.357 -20.058) 22.671 2.467 ( -2.976 17.238 28.108) 33.107 3.013 ( 2.145 12.725 -26.580) 29.547 3.327 ( 0.321 5.457 29.040) 29.550 3.620 ( -0.243 -5.903 -5.600) 8.141 3.911 ( -10.021 1.154 11.148) 15.034 4.210 ( 5.966 0.485 -11.985) 13.397 4.557 ( 4.080 0.502 6.756) 7.909 4.729 ( -6.264 -3.620 -9.794) 12.176 4.933 ( -1.051 -7.287 2.077) 7.650 5.043 ( -1.597 -3.064 -3.320) 4.792 5.197 ( -0.688 5.249 -1.446) 5.488 5.346 ( -1.018 -3.724 -12.109) 12.709 5.704 ( 4.797 -5.072 7.172) 10.009 5.920 ( -0.788 -8.197 -13.298) 15.641 6.352 ( 4.207 8.899 9.877) 13.945 6.550 ( -2.205 13.976 -9.264) 16.912 6.684 ( -7.032 -2.710 4.502) 8.778 6.789 ( 5.677 -5.028 -5.809) 9.553 7.435 ( -17.984 -2.827 6.161) 19.219 7.602 ( 16.498 -0.066 -10.346) 19.474 7.887 ( 0.490 -3.009 3.792) 4.866 7.939 ( 2.775 -2.031 -1.094) 3.608 8.261 ( -1.828 4.937 0.835) 5.330 8.280 ( 1.474 6.040 -1.016) 6.300 8.927 ( -0.409 -2.067 6.333) 6.675 9.034 ( 1.081 -1.438 -4.211) 4.579 9.690 ( 2.471 -4.840 16.306) 17.188 9.871 ( 7.889 -1.124 -1.635) 8.135 10.221 ( -6.024 -9.599 1.598) 11.445 10.288 ( 0.092 -7.913 -5.715) 9.762 10.459 ( 1.281 -3.060 7.837) 8.511 10.602 ( 3.055 -1.221 -5.941) 6.791 10.771 ( 2.085 2.134 4.280) 5.217 10.875 ( -11.457 0.261 -7.140) 13.503 11.228 ( -1.540 -12.676 8.870) 15.547 11.387 ( 5.655 -7.381 -8.282) 12.452 11.498 ( -6.148 1.011 7.811) 9.992 11.682 ( 8.878 1.167 -10.982) 14.170 12.785 ( -7.943 12.250 6.672) 16.052 12.892 ( 11.396 15.010 -4.743) 19.434 13.517 ( -1.574 -2.041 0.771) 2.690 13.564 ( -0.836 0.212 -4.225) 4.312 14.123 ( -6.804 -1.340 6.085) 9.226 14.209 ( 5.474 -1.036 -2.465) 6.092 14.642 ( 0.533 -0.067 2.824) 2.875 14.684 ( -4.096 0.615 -1.623) 4.448 15.002 ( -2.206 -1.093 0.902) 2.622 15.054 ( 4.565 0.021 -4.349) 6.305 16.465 ( -5.279 1.948 2.271) 6.068 16.521 ( 5.018 1.877 -3.497) 6.398 16.718 ( -0.916 -0.632 2.304) 2.558 16.757 ( 2.311 0.128 -2.057) 3.096 17.728 ( 0.570 -2.693 0.705) 2.841 17.764 ( -0.786 -1.774 -2.906) 3.494 18.452 ( 0.991 3.508 6.855) 7.764 18.539 ( 0.421 1.465 -1.203) 1.942 18.704 ( -3.547 -1.358 1.841) 4.221 18.778 ( -1.308 1.110 -4.197) 4.534 19.108 ( -3.106 2.017 3.541) 5.124 19.169 ( 2.283 -0.038 -2.569) 3.437 28.319 ( 0.809 4.293 1.074) 4.499 28.341 ( -1.062 3.949 -1.272) 4.283 28.663 ( 2.107 -2.436 0.335) 3.239 28.669 ( -1.643 -1.722 -0.360) 2.407 29.966 ( -4.264 5.082 3.857) 7.674 30.017 ( 3.047 7.959 -1.809) 8.712 30.442 ( -4.843 -2.235 9.208) 10.641 30.658 ( 5.037 -3.237 -13.159) 14.457 31.225 ( 3.292 -1.277 -0.285) 3.542 31.226 ( -4.303 -0.891 -0.467) 4.419 31.509 ( -4.081 1.540 4.223) 6.071 31.588 ( 2.713 -0.223 -3.525) 4.453 32.037 ( 11.295 5.550 4.027) 13.213 32.134 ( -10.818 3.405 -5.733) 12.708 33.462 ( 0.020 -8.804 3.694) 9.547 33.498 ( 2.650 -8.731 0.005) 9.124 ======================= Grid point 243 (125/156) ======================= q-point: ( 0.09 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 15.765 10.195 -29.641) 35.087 2.602 ( 26.232 -2.810 25.331) 36.575 2.810 ( 12.442 13.352 -17.550) 25.319 2.905 ( 14.065 7.402 17.375) 23.547 3.638 ( 19.011 -3.121 -10.822) 22.097 3.731 ( 10.939 1.327 17.748) 20.891 3.982 ( 11.035 7.618 -1.675) 13.514 4.411 ( 26.026 1.243 -1.757) 26.115 4.605 ( 3.864 -2.060 -7.951) 9.077 4.753 ( 4.333 -7.741 11.564) 14.575 4.885 ( -4.625 -1.538 0.687) 4.922 5.042 ( 2.912 -3.949 3.370) 5.952 5.234 ( -2.832 0.614 5.233) 5.981 5.277 ( 5.650 1.016 1.088) 5.842 5.751 ( 0.552 -8.161 -12.533) 14.966 5.893 ( 4.607 -6.577 5.075) 9.500 6.272 ( -10.823 8.251 -3.775) 14.123 6.522 ( -0.008 3.449 0.435) 3.476 6.698 ( 1.624 -1.810 7.533) 7.915 6.850 ( 5.387 5.438 -4.114) 8.690 7.183 ( -16.567 4.093 10.706) 20.145 7.629 ( -8.111 -4.976 -8.368) 12.672 7.805 ( 1.110 -7.368 -3.052) 8.052 8.089 ( 8.177 -2.543 -2.726) 8.987 8.220 ( -4.044 6.868 0.630) 7.994 8.302 ( 2.291 6.477 -0.224) 6.874 8.885 ( -10.376 -1.891 3.130) 11.002 8.946 ( -2.899 -0.959 -4.863) 5.742 9.694 ( -6.477 -3.790 -5.853) 9.517 9.849 ( -2.183 -0.083 -11.354) 11.562 10.070 ( -10.898 -6.145 6.113) 13.925 10.216 ( -9.286 -9.404 -2.154) 13.391 10.395 ( -8.307 -2.486 -0.035) 8.671 10.585 ( 6.618 0.502 2.321) 7.031 10.912 ( 10.577 2.410 -2.046) 11.039 10.996 ( 3.352 -5.249 10.195) 11.947 11.211 ( -5.165 -7.203 5.870) 10.631 11.383 ( 9.352 0.238 -9.319) 13.204 11.562 ( 4.129 -3.664 4.990) 7.441 11.783 ( 13.587 0.527 -9.596) 16.642 12.677 ( -5.588 6.208 1.459) 8.479 13.037 ( 8.054 13.934 -7.205) 17.633 13.524 ( 0.848 -4.049 1.544) 4.415 13.611 ( 6.161 0.983 3.212) 7.017 14.016 ( -8.770 -6.472 4.076) 11.637 14.304 ( 4.935 3.360 -1.801) 6.236 14.602 ( -3.793 0.218 1.067) 3.946 14.717 ( 2.147 0.235 4.907) 5.361 14.941 ( -4.520 -1.903 0.157) 4.906 15.058 ( 0.717 1.782 -3.859) 4.311 16.425 ( -0.882 3.219 2.409) 4.116 16.565 ( 2.816 1.289 -2.569) 4.024 16.709 ( -1.207 -0.582 0.284) 1.370 16.760 ( 0.821 1.064 -2.945) 3.237 17.690 ( -4.070 -0.381 -0.398) 4.107 17.752 ( -0.336 -3.977 1.230) 4.176 18.387 ( -10.739 2.160 -1.289) 11.030 18.526 ( -2.582 4.936 0.418) 5.586 18.547 ( -3.774 0.169 3.025) 4.840 18.908 ( 4.009 -3.433 2.728) 5.941 19.065 ( -4.450 0.913 2.197) 5.046 19.249 ( 7.663 0.427 -0.928) 7.731 28.309 ( -1.090 4.187 -1.130) 4.472 28.344 ( 0.518 3.500 1.597) 3.881 28.614 ( -3.308 -1.709 -0.713) 3.791 28.696 ( 0.978 -2.323 -0.188) 2.528 29.903 ( -5.292 5.468 2.666) 8.062 30.086 ( 4.816 6.115 -0.724) 7.817 30.438 ( -7.199 -2.579 10.399) 12.908 30.584 ( 1.013 -2.483 -9.892) 10.249 31.085 ( -12.367 1.402 3.659) 12.973 31.287 ( -0.816 -1.180 -2.136) 2.573 31.506 ( 3.257 -4.822 0.652) 5.855 31.548 ( -1.281 -1.953 -3.288) 4.033 32.097 ( 12.792 10.570 -0.828) 16.615 32.318 ( 11.155 5.275 4.799) 13.240 33.395 ( -2.560 -7.824 0.135) 8.233 33.643 ( 10.117 -9.980 -4.697) 14.967 ======================= Grid point 244 (126/156) ======================= q-point: ( 0.18 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 8.496 15.466 -29.255) 34.165 2.806 ( 19.816 12.470 -26.728) 35.532 3.176 ( 12.123 2.474 22.189) 25.405 3.413 ( -0.230 -3.969 32.375) 32.618 4.081 ( 14.518 -4.975 8.466) 17.527 4.128 ( 32.809 8.793 -10.613) 35.586 4.334 ( 36.658 0.540 -7.546) 37.430 4.589 ( 2.516 5.314 -4.543) 7.430 4.825 ( 7.921 -5.325 -2.440) 9.852 4.947 ( 16.081 -6.277 1.052) 17.294 5.020 ( 20.186 -8.798 6.133) 22.858 5.196 ( 5.869 -0.853 11.584) 13.014 5.314 ( 4.503 -2.207 11.446) 12.496 5.521 ( 13.282 0.045 8.256) 15.639 5.644 ( 4.581 0.199 -10.620) 11.567 5.931 ( 0.364 1.819 -3.114) 3.625 6.192 ( -1.827 -5.959 10.544) 12.248 6.506 ( 0.403 -4.649 -2.958) 5.525 6.736 ( -3.700 11.279 0.820) 11.899 6.903 ( -1.449 3.778 4.798) 6.276 7.135 ( -0.622 7.202 9.012) 11.553 7.315 ( -9.755 -1.100 -11.792) 15.344 7.707 ( -9.649 -10.567 -1.107) 14.353 8.099 ( -5.801 -0.484 -3.770) 6.935 8.174 ( 4.079 3.983 -3.046) 6.464 8.366 ( 2.636 7.037 0.567) 7.536 8.686 ( -12.229 -3.867 0.006) 12.825 8.869 ( 1.547 0.612 -6.181) 6.401 9.472 ( -4.308 -1.833 -11.834) 12.726 9.689 ( -6.237 -0.425 -3.280) 7.060 9.905 ( -10.005 -5.299 -1.503) 11.421 9.994 ( -10.178 -1.299 -3.839) 10.956 10.250 ( -4.538 0.594 -5.048) 6.813 10.733 ( 1.863 -4.612 1.871) 5.315 10.893 ( -6.356 -2.261 0.417) 6.759 11.115 ( 2.292 -1.488 2.398) 3.635 11.275 ( 3.137 2.416 10.093) 10.841 11.519 ( 12.068 -1.048 -5.160) 13.167 11.720 ( 10.792 -3.569 -5.481) 12.619 11.989 ( 13.121 -1.382 2.992) 13.529 12.612 ( -2.463 -0.645 -1.997) 3.236 13.021 ( -0.990 8.442 -6.002) 10.405 13.546 ( -1.639 -4.724 1.979) 5.378 13.817 ( 8.494 -1.546 6.479) 10.794 13.916 ( -6.752 -7.873 4.329) 11.239 14.319 ( 1.041 2.269 -4.312) 4.983 14.562 ( -3.888 2.615 3.472) 5.832 14.819 ( 1.842 0.649 6.026) 6.335 14.868 ( -3.889 0.070 0.857) 3.983 15.026 ( 0.860 6.217 -1.892) 6.555 16.492 ( 5.649 3.207 1.034) 6.577 16.561 ( -0.257 1.503 -1.499) 2.138 16.681 ( -0.276 0.979 -3.580) 3.721 16.737 ( 0.637 1.067 -2.208) 2.534 17.600 ( -6.921 0.178 1.994) 7.204 17.760 ( -0.938 -5.139 2.587) 5.830 18.208 ( -7.153 1.798 -1.319) 7.492 18.452 ( -5.658 4.145 0.224) 7.017 18.535 ( -0.920 -0.338 0.505) 1.103 18.936 ( -2.184 -0.050 0.189) 2.193 19.010 ( -4.610 -2.424 4.163) 6.668 19.350 ( 3.619 -2.802 -2.554) 5.241 28.281 ( -0.503 3.609 -1.317) 3.874 28.372 ( 0.602 2.787 1.820) 3.383 28.537 ( -4.107 -1.455 -1.243) 4.531 28.694 ( -0.682 -2.046 -0.688) 2.263 29.847 ( -4.190 5.184 2.876) 7.260 30.154 ( 4.233 4.530 -2.438) 6.662 30.412 ( -6.607 -3.432 7.937) 10.882 30.501 ( -1.968 -0.313 -3.545) 4.066 30.915 ( -12.449 -0.676 6.243) 13.943 31.007 ( -16.419 -1.019 -6.738) 17.777 31.560 ( 9.682 -3.631 -4.933) 11.457 31.776 ( 14.403 -7.565 3.315) 16.603 32.332 ( 10.099 12.077 -0.122) 15.744 32.524 ( 6.690 10.948 4.406) 13.565 33.462 ( 7.908 -10.024 5.005) 13.714 33.749 ( 10.092 -8.357 -8.145) 15.428 ======================= Grid point 245 (127/156) ======================= q-point: ( 0.27 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 12.348 16.886 -11.563) 23.902 2.945 ( 26.265 8.236 -24.271) 36.698 3.529 ( -9.861 -2.773 28.986) 30.743 3.651 ( 4.013 4.473 20.851) 21.700 4.130 ( -7.600 -1.178 -7.198) 10.534 4.408 ( 5.999 1.764 6.833) 9.262 4.660 ( 7.773 -7.939 11.466) 15.967 4.807 ( 13.463 3.959 -7.224) 15.784 5.026 ( 5.503 -9.156 -8.663) 13.754 5.290 ( 20.723 -7.985 4.720) 22.704 5.440 ( 15.644 -5.281 5.500) 17.403 5.492 ( 6.819 -7.452 11.200) 15.082 5.580 ( 20.011 0.269 -0.575) 20.021 5.697 ( 18.396 5.789 -2.949) 19.510 5.912 ( -2.311 -2.692 1.574) 3.881 5.951 ( 20.916 0.873 4.639) 21.442 6.418 ( 13.935 7.293 6.617) 17.063 6.467 ( 1.193 1.644 -4.856) 5.264 6.692 ( 3.857 3.588 -0.507) 5.292 6.784 ( -11.301 1.405 -1.393) 11.473 7.150 ( 4.698 3.135 0.374) 5.660 7.350 ( 8.291 7.350 2.080) 11.273 7.554 ( -2.967 -4.147 1.422) 5.293 7.935 ( -5.190 -5.345 -6.179) 9.679 8.193 ( -0.557 1.959 -1.912) 2.794 8.348 ( -2.349 8.887 -5.003) 10.465 8.492 ( -7.046 -3.875 1.302) 8.146 8.882 ( 7.017 1.261 -6.735) 9.808 9.360 ( 0.655 0.051 -3.711) 3.769 9.523 ( -10.837 -4.296 0.545) 11.670 9.717 ( -6.823 -3.498 -4.667) 8.976 9.803 ( -7.425 5.105 -1.753) 9.180 10.141 ( -0.644 3.822 -5.855) 7.022 10.648 ( -4.607 -1.297 -7.801) 9.152 10.848 ( -3.181 -5.675 4.300) 7.798 11.128 ( -0.015 -1.467 -1.806) 2.327 11.489 ( 4.089 2.601 14.022) 14.836 11.658 ( 9.441 -2.125 -5.866) 11.316 11.804 ( 6.302 -1.438 -6.404) 9.099 12.188 ( 2.030 -4.120 3.722) 5.912 12.539 ( -1.428 -4.398 -3.489) 5.793 12.898 ( -7.097 -1.241 -2.872) 7.756 13.486 ( -6.865 -0.560 1.758) 7.109 13.809 ( -4.359 -10.239 0.023) 11.128 14.014 ( 2.259 -1.366 2.461) 3.609 14.315 ( 2.711 -6.518 -1.287) 7.176 14.520 ( -4.219 11.274 3.614) 12.569 14.825 ( -1.544 4.613 0.579) 4.899 14.885 ( 0.497 -0.095 3.334) 3.372 15.079 ( 2.512 11.187 2.751) 11.791 16.561 ( 1.874 0.727 1.082) 2.282 16.607 ( 3.204 1.265 -0.920) 3.566 16.649 ( 5.426 2.643 -4.172) 7.337 16.747 ( 2.234 1.091 -1.320) 2.815 17.502 ( -7.806 -0.557 5.382) 9.497 17.769 ( -1.976 -5.949 3.209) 7.043 18.093 ( -3.915 0.858 -2.354) 4.648 18.330 ( -6.987 2.825 -1.651) 7.715 18.531 ( 0.080 0.190 0.695) 0.725 18.863 ( -3.135 3.209 -2.831) 5.305 18.997 ( -4.513 -4.831 7.338) 9.877 19.314 ( -0.390 -4.290 -7.639) 8.770 28.265 ( 0.670 2.439 -1.703) 3.049 28.402 ( 0.569 2.335 1.226) 2.698 28.447 ( -4.017 -1.224 -1.161) 4.357 28.659 ( -1.987 -1.651 -1.123) 2.816 29.820 ( -2.807 4.573 3.871) 6.617 30.173 ( 2.949 2.797 -6.020) 7.264 30.377 ( -3.198 -3.222 1.810) 4.887 30.437 ( -5.507 -0.391 4.083) 6.866 30.706 ( -8.366 -0.276 -2.808) 8.829 30.796 ( -10.808 -1.531 6.613) 12.763 31.652 ( 5.034 -3.505 -3.105) 6.875 32.026 ( 8.132 -11.059 2.480) 13.949 32.472 ( 8.645 11.477 -1.772) 14.477 32.660 ( 6.764 15.102 -0.085) 16.548 33.711 ( 10.309 -11.005 5.169) 15.941 33.856 ( 9.471 -5.672 -3.313) 11.526 ======================= Grid point 246 (128/156) ======================= q-point: ( 0.36 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 21.986 13.547 7.868) 26.996 3.212 ( 28.739 2.094 -18.207) 34.086 3.497 ( -23.168 -0.353 26.816) 35.440 3.880 ( -0.304 0.841 -5.765) 5.834 4.007 ( -0.285 9.121 16.460) 18.820 4.595 ( 0.261 -0.027 16.082) 16.084 4.780 ( -3.584 -13.285 -2.985) 14.080 4.844 ( -6.624 -8.893 -7.154) 13.196 5.068 ( 14.971 -0.686 0.317) 14.991 5.341 ( -6.426 -11.712 4.373) 14.057 5.608 ( -2.719 -5.320 12.774) 14.102 5.659 ( -1.622 -10.338 3.033) 10.895 5.810 ( 12.443 3.750 -1.348) 13.065 5.949 ( 4.347 -0.826 4.189) 6.093 6.084 ( 7.865 0.016 -9.636) 12.438 6.232 ( 4.393 9.820 -5.861) 12.251 6.446 ( -4.800 3.848 -0.562) 6.178 6.675 ( 19.276 0.583 8.508) 21.078 6.765 ( 20.898 2.419 -6.015) 21.881 7.036 ( 16.787 6.756 6.074) 19.088 7.313 ( 16.411 10.930 0.771) 19.733 7.419 ( -0.763 3.964 -8.433) 9.349 7.687 ( 11.531 -4.772 5.373) 13.587 7.845 ( 5.760 -6.147 -9.535) 12.723 8.140 ( -3.316 1.907 2.005) 4.319 8.235 ( -2.863 6.444 -1.067) 7.131 8.499 ( 1.549 2.128 3.717) 4.554 8.924 ( 4.497 3.846 -7.378) 9.457 9.293 ( -5.736 -0.872 -3.126) 6.590 9.414 ( -2.109 -3.874 3.129) 5.408 9.590 ( -2.023 -1.629 -2.742) 3.777 9.676 ( -8.653 4.293 3.578) 10.301 10.103 ( 2.094 4.341 -4.092) 6.322 10.459 ( -5.230 0.440 -10.253) 11.518 10.837 ( -1.036 -6.199 1.137) 6.387 11.089 ( -1.055 -1.931 -4.255) 4.791 11.655 ( -0.971 -0.276 9.232) 9.287 11.732 ( 6.244 -0.374 -4.718) 7.835 11.842 ( 1.458 -0.953 1.711) 2.441 12.123 ( -7.547 -7.124 -2.095) 10.587 12.502 ( 0.885 -5.471 -4.745) 7.296 12.720 ( -10.282 -10.172 -0.001) 14.464 13.388 ( -5.379 3.089 3.005) 6.892 13.733 ( -2.729 -7.087 -3.097) 8.201 14.015 ( -0.150 -0.529 -1.754) 1.839 14.272 ( -4.795 -10.236 -3.283) 11.771 14.558 ( 1.823 15.243 5.077) 16.169 14.812 ( -0.760 7.114 -0.376) 7.164 14.935 ( 2.022 1.334 1.901) 3.079 15.100 ( -2.143 11.152 0.353) 11.362 16.604 ( 2.315 1.160 -0.320) 2.609 16.681 ( 5.550 0.876 4.193) 7.011 16.761 ( 7.045 0.686 -1.790) 7.301 16.776 ( 2.780 1.595 -1.536) 3.554 17.460 ( -4.989 -2.074 8.959) 10.462 17.752 ( -3.116 -5.902 2.383) 7.087 18.012 ( -1.814 0.295 -3.297) 3.774 18.179 ( -6.873 1.416 -2.882) 7.586 18.557 ( 1.520 0.822 1.244) 2.130 18.783 ( -2.198 3.425 -3.107) 5.120 18.991 ( -5.644 -4.492 8.326) 11.016 19.218 ( 1.097 -4.245 -10.003) 10.922 28.267 ( 1.720 1.146 -2.039) 2.904 28.351 ( -3.328 0.019 -1.658) 3.718 28.445 ( 0.808 0.728 2.001) 2.278 28.605 ( -2.382 -1.189 -1.352) 2.986 29.829 ( -1.758 3.473 5.376) 6.637 30.139 ( 1.660 1.121 -7.571) 7.832 30.350 ( 1.774 -1.422 -2.685) 3.518 30.406 ( -5.672 -1.890 8.585) 10.462 30.604 ( -3.005 0.268 0.191) 3.023 30.676 ( -9.746 -0.930 4.906) 10.950 31.699 ( 3.438 -3.456 -0.305) 4.884 32.083 ( -3.124 -11.268 0.954) 11.732 32.628 ( 9.748 11.513 -1.092) 15.125 32.776 ( 7.878 13.654 -3.473) 16.142 33.892 ( 10.393 -8.278 -3.838) 13.830 33.989 ( 1.806 -5.509 5.750) 8.165 ======================= Grid point 247 (129/156) ======================= q-point: ( 0.45 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 23.599 7.982 15.050) 29.106 3.308 ( -24.544 4.695 17.508) 30.512 3.570 ( 27.328 -2.057 -9.186) 28.904 3.861 ( 1.538 0.351 0.267) 1.600 4.002 ( -15.323 7.580 5.441) 17.940 4.443 ( -14.596 -4.455 -15.033) 21.421 4.737 ( -0.075 -6.175 16.198) 17.335 4.853 ( 5.256 0.128 7.745) 9.361 5.231 ( 2.842 -9.266 -4.407) 10.647 5.413 ( 3.262 -15.211 -3.811) 16.017 5.582 ( -4.630 -6.764 -3.174) 8.790 5.648 ( -7.656 -6.085 7.652) 12.417 5.867 ( 5.254 0.809 8.933) 10.395 6.055 ( -3.035 -0.664 4.032) 5.090 6.126 ( 11.319 -1.006 -4.907) 12.378 6.290 ( 6.714 6.430 1.534) 9.422 6.349 ( -4.238 2.520 -0.539) 4.960 6.732 ( -5.081 -2.089 -5.182) 7.552 7.115 ( 1.605 10.874 0.746) 11.017 7.249 ( -2.740 7.141 -8.759) 11.628 7.429 ( 28.957 2.327 -2.245) 29.137 7.715 ( -6.495 -1.973 0.572) 6.812 7.760 ( 23.044 3.946 -3.515) 23.642 7.946 ( -2.691 6.869 4.705) 8.750 8.163 ( 3.832 2.197 2.697) 5.175 8.236 ( 0.554 4.841 0.834) 4.944 8.573 ( 0.599 2.858 7.049) 7.630 8.858 ( -0.640 4.142 -9.455) 10.342 9.227 ( -1.130 -2.791 2.538) 3.938 9.379 ( -2.441 -1.456 -4.051) 4.949 9.551 ( -5.348 -1.177 4.631) 7.171 9.606 ( 0.405 0.647 0.774) 1.087 10.112 ( 0.897 2.005 -0.346) 2.223 10.280 ( -0.699 3.787 -10.774) 11.441 10.854 ( 2.593 -5.951 -0.325) 6.499 10.996 ( -1.999 -1.682 -6.622) 7.119 11.693 ( -2.327 -2.891 6.761) 7.712 11.800 ( 5.574 -0.333 -5.323) 7.715 11.827 ( -9.930 -0.204 10.177) 14.220 12.000 ( 1.442 -6.404 -7.254) 9.783 12.467 ( 1.447 -8.641 -2.670) 9.159 12.562 ( -6.747 -13.715 -0.888) 15.311 13.389 ( -0.158 3.251 6.162) 6.968 13.634 ( -2.569 -2.452 -6.672) 7.558 14.007 ( -0.415 -1.482 1.860) 2.414 14.149 ( -3.293 -6.064 -4.485) 8.230 14.628 ( -0.968 13.615 5.642) 14.769 14.776 ( 0.378 10.183 -4.701) 11.222 14.989 ( 1.421 2.630 1.918) 3.552 15.050 ( -1.963 5.824 -0.849) 6.205 16.670 ( 2.967 2.218 2.542) 4.493 16.779 ( 0.036 1.855 -2.100) 2.803 16.797 ( 0.885 1.256 4.378) 4.640 16.860 ( 6.110 -0.040 -3.451) 7.018 17.520 ( -0.125 -3.901 10.252) 10.970 17.722 ( -0.818 -5.204 -0.683) 5.312 17.963 ( 0.137 -0.137 -2.542) 2.549 18.037 ( -4.899 0.295 -3.194) 5.856 18.605 ( 1.803 1.355 1.975) 2.998 18.717 ( -1.485 3.153 -3.209) 4.738 18.973 ( -7.029 -3.812 9.531) 12.441 19.157 ( 4.092 -4.289 -9.775) 11.432 28.279 ( 1.619 0.116 -1.799) 2.423 28.289 ( -2.035 0.159 -0.693) 2.156 28.483 ( 1.137 0.187 1.733) 2.081 28.553 ( -1.612 -0.768 -1.463) 2.308 29.867 ( -1.693 2.056 7.195) 7.672 30.076 ( 0.688 0.318 -7.746) 7.783 30.399 ( -5.574 -1.561 7.335) 9.344 30.401 ( 6.622 -0.674 -1.976) 6.943 30.556 ( -6.686 0.173 3.355) 7.482 30.585 ( 0.768 0.155 -1.781) 1.945 31.790 ( 5.618 -5.095 2.313) 7.929 31.983 ( -6.777 -8.264 -1.324) 10.769 32.757 ( 4.446 11.247 0.270) 12.097 32.839 ( 2.938 11.232 -3.908) 12.250 33.985 ( -6.400 -6.112 8.280) 12.120 34.052 ( 10.249 -5.865 -7.447) 13.961 ======================= Grid point 248 (130/156) ======================= q-point: (-0.45 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -28.933 7.037 8.734) 31.031 3.365 ( 3.058 2.484 4.730) 6.156 3.533 ( -10.381 5.772 0.081) 11.878 3.893 ( 7.103 -1.610 -4.121) 8.368 4.148 ( 4.919 -0.090 -10.367) 11.475 4.177 ( 15.325 -2.028 12.773) 20.053 4.858 ( -8.732 -2.750 7.879) 12.078 5.020 ( 2.711 -3.222 -4.747) 6.346 5.176 ( -5.548 -0.154 -3.923) 6.797 5.223 ( 3.904 -7.895 5.878) 10.588 5.542 ( -6.320 -7.888 3.348) 10.647 5.718 ( 7.610 -16.467 0.746) 18.156 5.995 ( -5.129 0.811 4.485) 6.861 6.133 ( -2.796 0.074 -14.740) 15.003 6.165 ( 5.560 -1.521 5.545) 7.999 6.232 ( 7.209 -0.941 -2.494) 7.686 6.475 ( -9.573 2.029 -10.693) 14.494 6.585 ( 11.553 -0.206 8.121) 14.123 7.077 ( -8.781 7.827 2.928) 12.122 7.187 ( 1.960 9.053 -1.692) 9.416 7.415 ( -23.036 4.673 -0.315) 23.507 7.663 ( -9.245 0.004 2.127) 9.487 7.782 ( -7.761 4.571 -1.887) 9.203 8.026 ( 1.104 4.632 -3.127) 5.697 8.190 ( -2.821 1.824 0.549) 3.404 8.235 ( 0.450 6.869 0.677) 6.917 8.666 ( -1.198 3.237 4.892) 5.987 8.759 ( 2.518 3.145 -6.512) 7.658 9.198 ( -4.474 -1.766 4.298) 6.450 9.382 ( 5.283 -2.663 -1.503) 6.104 9.519 ( -2.466 -4.002 3.337) 5.765 9.662 ( 6.164 1.556 -2.502) 6.832 10.108 ( -2.175 2.926 2.331) 4.328 10.232 ( 5.896 5.001 -7.909) 11.060 10.855 ( -2.522 -3.838 -0.333) 4.605 10.982 ( 8.985 -3.321 -6.011) 11.309 11.638 ( -12.241 -2.118 7.988) 14.770 11.828 ( 5.828 -3.118 1.404) 6.757 11.845 ( -0.497 -1.348 3.267) 3.569 12.023 ( 9.360 -1.174 -9.137) 13.133 12.421 ( -5.864 -11.500 1.783) 13.032 12.567 ( 8.403 -12.461 -1.412) 15.096 13.480 ( -0.070 0.883 5.279) 5.352 13.524 ( 0.314 1.816 -4.089) 4.485 14.026 ( -2.406 -4.336 3.087) 5.842 14.093 ( 2.892 -4.725 -1.834) 5.835 14.626 ( -5.691 12.446 5.802) 14.864 14.779 ( 6.194 12.521 -5.110) 14.875 14.991 ( -2.912 1.880 1.454) 3.759 15.052 ( 2.627 4.013 -0.649) 4.840 16.704 ( -3.934 1.535 0.225) 4.229 16.748 ( 0.191 2.737 0.229) 2.753 16.804 ( -3.440 1.006 1.948) 4.080 16.890 ( 2.199 0.956 -5.131) 5.664 17.646 ( 2.945 -5.640 7.204) 9.612 17.702 ( 3.043 -4.709 -7.805) 9.610 17.953 ( -1.212 0.073 -1.679) 2.072 17.983 ( 3.059 0.056 2.019) 3.666 18.648 ( -0.933 1.634 -0.014) 1.881 18.669 ( 1.089 3.048 -0.600) 3.292 18.953 ( -7.157 -3.533 11.093) 13.666 19.148 ( 5.549 -4.336 -8.552) 11.078 28.252 ( -1.842 0.423 0.723) 2.023 28.298 ( 2.094 -0.197 -1.329) 2.488 28.513 ( -0.598 -0.564 -0.762) 1.121 28.529 ( 1.691 -0.163 0.422) 1.751 29.911 ( -3.072 0.782 8.050) 8.652 30.011 ( 1.244 2.306 -6.587) 7.089 30.342 ( -6.923 -1.791 4.091) 8.238 30.494 ( 1.232 -1.661 0.307) 2.091 30.550 ( 7.088 1.059 -0.216) 7.170 30.621 ( 6.072 0.173 -3.613) 7.068 31.842 ( -5.956 -5.282 -2.734) 8.417 31.938 ( 6.937 -7.801 3.120) 10.895 32.777 ( -3.983 11.259 1.199) 12.003 32.789 ( -3.957 10.976 -2.003) 11.838 33.887 ( -12.899 -4.676 8.273) 16.022 34.157 ( 9.467 -7.487 -8.130) 14.552 ======================= Grid point 249 (131/156) ======================= q-point: (-0.36 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -29.182 12.532 -3.608) 31.964 2.931 ( -32.816 4.406 9.754) 34.517 3.783 ( 5.091 -1.840 0.653) 5.453 3.842 ( 8.426 -0.959 -6.346) 10.592 4.264 ( 6.495 9.114 -8.420) 14.006 4.602 ( 12.429 -6.073 11.654) 18.088 4.712 ( -5.672 -4.153 6.104) 9.310 4.888 ( -2.437 -5.073 -12.949) 14.120 5.052 ( -15.789 2.827 1.555) 16.115 5.363 ( 5.564 -17.277 2.974) 18.393 5.630 ( 2.055 -9.791 7.449) 12.473 5.805 ( -0.497 -0.493 4.121) 4.180 5.888 ( -6.451 -0.485 -5.225) 8.316 5.909 ( -1.861 -0.628 -12.452) 12.606 6.120 ( -3.333 -1.243 -10.449) 11.038 6.247 ( -4.606 8.251 -6.206) 11.306 6.412 ( 1.574 0.534 4.720) 5.004 6.622 ( -28.982 3.042 6.319) 29.818 6.817 ( -3.818 -3.679 -2.467) 5.848 7.108 ( -19.741 4.172 -1.183) 20.212 7.254 ( 4.525 6.219 6.370) 9.987 7.316 ( -16.827 10.238 -0.835) 19.715 7.663 ( -8.710 -2.323 8.623) 12.475 7.822 ( -7.815 -5.742 -7.682) 12.372 8.183 ( 0.150 1.890 -0.848) 2.077 8.238 ( 0.655 9.499 -1.923) 9.714 8.591 ( -1.940 -0.438 -6.301) 6.608 8.812 ( -0.858 5.423 4.227) 6.929 9.235 ( 3.205 0.058 2.440) 4.028 9.427 ( 0.260 -6.739 4.880) 8.324 9.544 ( 2.616 -3.103 -1.852) 4.462 9.740 ( 4.070 3.547 -1.735) 5.671 10.098 ( 0.212 9.087 -1.226) 9.171 10.313 ( 6.732 1.255 2.335) 7.235 10.849 ( 2.417 -3.420 -0.245) 4.195 11.073 ( 5.595 -5.207 -3.615) 8.455 11.550 ( -7.366 -1.182 9.148) 11.804 11.795 ( -2.331 1.955 -2.760) 4.108 11.983 ( 0.142 -3.814 -7.876) 8.752 12.073 ( 10.107 -2.038 1.095) 10.368 12.410 ( 0.441 -6.047 4.493) 7.547 12.723 ( 8.911 -10.985 -0.188) 14.146 13.450 ( 2.465 3.178 -3.336) 5.225 13.629 ( 3.427 -1.994 7.075) 8.110 13.999 ( -1.502 -3.937 0.436) 4.237 14.192 ( 4.757 -9.789 4.307) 11.705 14.587 ( -3.331 11.440 2.578) 12.191 14.842 ( 4.588 11.079 -3.516) 12.496 14.952 ( -1.875 -0.331 -0.194) 1.914 15.102 ( 3.142 8.088 0.353) 8.684 16.605 ( -5.031 1.636 -0.664) 5.331 16.709 ( -6.597 -0.763 0.646) 6.672 16.760 ( -1.294 2.861 -0.080) 3.141 16.826 ( -1.975 2.424 -7.002) 7.668 17.663 ( 4.963 -4.007 -11.795) 13.409 17.761 ( 3.678 -7.653 2.635) 8.891 17.955 ( 1.415 1.368 1.097) 2.253 18.111 ( 6.599 0.795 4.407) 7.975 18.601 ( -0.576 1.792 -3.140) 3.661 18.720 ( 1.492 3.009 3.337) 4.735 18.972 ( -4.813 -4.335 12.979) 14.505 19.160 ( 4.756 -3.985 -6.927) 9.299 28.235 ( -1.219 1.177 1.232) 2.095 28.333 ( 2.647 -0.071 0.269) 2.662 28.484 ( -0.370 -0.091 -2.210) 2.242 28.580 ( 2.455 -0.618 1.294) 2.843 29.908 ( -1.721 2.154 0.169) 2.762 30.002 ( -0.593 4.279 3.209) 5.381 30.281 ( -3.997 -2.359 4.026) 6.144 30.526 ( 3.015 -2.993 -0.398) 4.267 30.657 ( 8.460 1.279 -7.497) 11.376 30.746 ( 10.840 -0.795 -2.217) 11.093 31.724 ( -3.935 -2.686 -2.609) 5.432 32.070 ( 3.137 -10.685 2.270) 11.365 32.621 ( -10.981 9.781 -0.347) 14.710 32.706 ( -7.329 14.415 3.183) 16.481 33.733 ( -14.058 -4.978 8.943) 17.389 34.185 ( 3.927 -9.720 -10.503) 14.839 ======================= Grid point 250 (132/156) ======================= q-point: (-0.27 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -24.367 17.426 -1.213) 29.981 2.522 ( -30.002 11.137 19.386) 37.416 3.718 ( -13.483 4.801 5.930) 15.492 3.977 ( 11.301 -9.244 -10.265) 17.848 4.192 ( 1.765 5.168 -12.595) 13.728 4.562 ( -18.656 -2.874 -8.238) 20.595 4.697 ( -21.962 6.346 6.209) 23.689 4.752 ( -0.170 -3.945 2.321) 4.580 4.844 ( -4.171 -7.857 4.599) 10.014 5.334 ( -28.025 -15.426 0.503) 31.994 5.450 ( -20.475 2.460 -1.137) 20.653 5.637 ( -17.137 -0.076 2.180) 17.275 5.720 ( 0.991 -6.701 -11.164) 13.059 5.808 ( 4.377 -3.299 -17.043) 17.903 5.932 ( -10.858 1.822 -1.028) 11.058 6.044 ( -4.323 2.484 -4.459) 6.689 6.367 ( -3.938 6.796 5.022) 9.323 6.494 ( -0.820 3.090 3.206) 4.528 6.643 ( -17.783 7.859 0.841) 19.461 6.799 ( 4.351 -6.874 -2.295) 8.453 7.110 ( -5.138 -0.643 2.922) 5.946 7.408 ( 3.633 10.357 -2.388) 11.232 7.647 ( 3.279 -9.250 -6.609) 11.831 7.804 ( 7.606 -3.940 5.896) 10.399 8.159 ( -2.628 2.386 1.201) 3.747 8.265 ( 2.453 10.018 2.316) 10.570 8.528 ( 2.467 -2.405 -3.258) 4.742 8.784 ( -5.988 2.617 3.707) 7.513 9.302 ( 0.420 -0.631 2.112) 2.244 9.542 ( 6.673 -5.609 3.319) 9.327 9.576 ( 0.904 -4.424 4.502) 6.376 9.786 ( 3.103 4.195 0.850) 5.287 10.105 ( 3.026 11.595 -1.226) 12.046 10.488 ( 5.595 -1.264 7.664) 9.572 10.914 ( 5.444 -3.998 -1.930) 7.025 11.108 ( 1.366 -6.903 -0.781) 7.080 11.526 ( -6.586 -0.369 6.558) 9.301 11.692 ( -7.463 4.015 -0.091) 8.475 11.801 ( -5.576 -0.105 -11.373) 12.667 12.246 ( 5.050 -2.728 -1.934) 6.057 12.466 ( 0.857 -2.678 3.786) 4.716 12.855 ( 4.595 -3.794 1.669) 6.188 13.517 ( 6.700 0.705 -1.450) 6.891 13.767 ( 4.516 -5.567 4.709) 8.577 13.996 ( -0.448 -2.072 2.706) 3.438 14.292 ( 0.119 -14.833 2.039) 14.973 14.567 ( 0.593 11.733 -0.652) 11.766 14.854 ( 1.406 4.517 -2.532) 5.366 14.934 ( 1.674 -0.680 -2.472) 3.062 15.139 ( 0.390 11.435 -2.305) 11.672 16.544 ( -2.823 1.380 3.160) 4.456 16.589 ( -4.493 0.297 -1.734) 4.825 16.690 ( -4.329 3.987 -6.528) 8.789 16.737 ( -0.952 1.411 -0.316) 1.732 17.648 ( 6.525 -2.503 -9.802) 12.039 17.819 ( 1.921 -7.973 -1.543) 8.345 18.021 ( 2.739 2.305 4.285) 5.584 18.283 ( 7.405 1.854 3.238) 8.293 18.574 ( 1.569 1.066 -3.453) 3.940 18.793 ( 1.985 3.362 4.498) 5.956 19.056 ( -0.214 -7.355 8.869) 11.524 19.177 ( 2.973 -2.494 -0.777) 3.958 28.236 ( -0.137 2.334 1.299) 2.674 28.394 ( 2.375 1.045 1.460) 2.977 28.460 ( 0.902 -0.349 -2.045) 2.262 28.637 ( 2.297 -1.030 1.200) 2.789 29.884 ( 0.683 5.355 -2.221) 5.837 30.034 ( -2.290 4.340 6.993) 8.543 30.301 ( 0.530 -2.566 5.596) 6.178 30.591 ( 6.852 -3.954 -3.864) 8.804 30.719 ( 7.789 2.334 -6.902) 10.665 30.911 ( 11.549 -2.405 -5.054) 12.834 31.634 ( -4.608 -1.166 -1.315) 4.932 32.043 ( -8.493 -9.862 0.857) 13.043 32.424 ( -11.367 10.579 3.038) 15.823 32.631 ( -4.103 13.684 2.430) 14.491 33.597 ( -11.972 -7.256 9.596) 16.972 34.042 ( -5.351 -11.881 -14.757) 19.687 ======================= Grid point 251 (133/156) ======================= q-point: (-0.18 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -17.307 19.991 15.949) 30.880 2.291 ( -23.165 18.237 26.608) 39.713 3.427 ( -25.374 8.485 6.824) 27.611 3.790 ( -26.316 2.409 -11.307) 28.743 4.017 ( -10.252 2.145 -7.177) 12.697 4.141 ( -18.716 -15.052 0.744) 24.029 4.327 ( -40.000 -2.222 -5.616) 40.453 4.516 ( -6.902 6.233 5.288) 10.698 4.778 ( -1.938 0.865 2.395) 3.200 4.937 ( -11.852 -10.255 0.061) 15.673 5.058 ( -19.595 -8.825 0.989) 21.513 5.374 ( -13.853 -3.945 -2.137) 14.562 5.491 ( -6.916 8.675 -6.399) 12.807 5.642 ( -4.146 -3.058 -15.522) 16.355 5.772 ( -1.866 -0.422 -15.955) 16.070 5.940 ( -0.773 4.118 -2.233) 4.748 6.364 ( -2.303 -11.530 -4.658) 12.647 6.458 ( 9.423 1.613 0.540) 9.575 6.666 ( 1.463 7.124 6.445) 9.717 6.995 ( 8.518 -2.685 -2.369) 9.240 7.124 ( 6.076 1.516 5.846) 8.567 7.349 ( 2.997 9.362 -11.760) 15.327 7.731 ( 8.974 -10.442 -3.776) 14.277 7.993 ( 3.517 -6.169 6.438) 9.585 8.119 ( -1.934 6.541 2.849) 7.392 8.359 ( 2.930 10.838 1.219) 11.293 8.627 ( 4.923 -2.111 4.189) 6.801 8.761 ( 2.517 -0.753 5.911) 6.469 9.310 ( -1.543 -0.514 4.143) 4.451 9.619 ( 1.132 -2.234 4.587) 5.226 9.783 ( 9.967 -8.847 9.930) 16.620 9.905 ( 7.061 0.927 4.563) 8.458 10.206 ( 8.574 8.174 0.950) 11.884 10.654 ( 3.243 -3.687 7.797) 9.214 10.962 ( 1.977 -4.270 -5.540) 7.269 11.106 ( -2.817 -8.296 4.108) 9.677 11.407 ( -11.531 0.367 0.483) 11.547 11.530 ( -4.462 4.788 -7.328) 9.825 11.627 ( -5.888 3.163 -0.175) 6.686 12.128 ( -9.995 -5.300 -10.350) 15.334 12.553 ( 3.362 2.949 4.175) 6.118 12.921 ( -0.891 5.477 4.517) 7.155 13.590 ( 2.519 -2.789 -2.575) 4.556 13.860 ( 0.340 -6.224 1.045) 6.320 14.017 ( 0.724 -1.721 -2.140) 2.840 14.229 ( -4.451 -6.282 1.476) 7.839 14.598 ( 1.715 4.054 0.379) 4.419 14.870 ( 2.551 0.168 -1.928) 3.202 14.954 ( 3.714 -0.591 -4.307) 5.718 15.044 ( -4.445 9.010 -4.522) 11.017 16.532 ( -0.745 3.893 -1.983) 4.432 16.564 ( -2.643 2.740 -3.216) 4.983 16.583 ( 1.045 1.215 6.032) 6.241 16.726 ( 0.474 0.327 -0.719) 0.921 17.675 ( 5.411 -1.430 -5.923) 8.149 17.812 ( 0.677 -5.693 -2.738) 6.353 18.139 ( 4.601 2.602 5.333) 7.509 18.428 ( 5.327 2.874 2.269) 6.464 18.581 ( 3.488 -0.082 -3.833) 5.184 18.883 ( 2.213 3.180 4.794) 6.164 19.092 ( 1.527 -7.817 -2.818) 8.448 19.269 ( 1.093 -3.149 6.081) 6.935 28.257 ( 1.036 3.592 1.055) 3.885 28.401 ( -0.700 3.048 -1.142) 3.329 28.515 ( 4.437 -1.932 1.080) 4.958 28.680 ( 1.201 -1.346 0.741) 1.950 29.891 ( 2.372 6.832 -1.593) 7.406 30.061 ( -3.060 5.266 6.425) 8.853 30.381 ( 1.200 -2.325 3.691) 4.524 30.669 ( 9.528 -2.938 -11.713) 15.382 30.872 ( 14.161 1.116 4.882) 15.021 31.050 ( 11.043 -2.188 -6.137) 12.822 31.501 ( -9.762 -0.843 0.779) 9.830 31.827 ( -13.496 -7.022 -1.649) 15.302 32.300 ( -8.034 11.457 3.859) 14.515 32.570 ( -5.563 9.655 -0.468) 11.153 33.500 ( -9.446 -12.162 4.876) 16.153 33.713 ( -12.844 -9.468 -9.066) 18.353 ======================= Grid point 252 (134/156) ======================= q-point: (-0.09 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -15.137 15.318 29.847) 36.805 2.265 ( -14.049 19.344 30.653) 38.874 3.000 ( -28.484 -3.203 -8.062) 29.776 3.228 ( -25.990 7.395 9.534) 28.654 3.393 ( -22.887 14.801 -10.411) 29.176 3.788 ( -18.974 0.614 5.394) 19.735 4.031 ( -4.158 -17.435 -4.308) 18.435 4.418 ( -18.868 -2.818 4.715) 19.651 4.532 ( -6.880 4.897 -6.405) 10.599 4.854 ( 0.898 -9.466 1.672) 9.654 4.932 ( 0.795 -2.475 -2.914) 3.905 5.151 ( -7.741 1.394 -6.706) 10.336 5.329 ( -6.162 2.313 -6.357) 9.150 5.505 ( -4.602 -1.317 -0.867) 4.865 5.590 ( 7.795 -1.810 -16.737) 18.551 5.983 ( 4.911 0.450 -1.333) 5.109 6.263 ( -1.762 -9.749 -4.697) 10.964 6.590 ( 6.883 3.147 -5.743) 9.500 6.726 ( -1.915 7.517 5.042) 9.252 6.875 ( -6.468 0.290 -7.294) 9.753 7.396 ( 16.280 5.012 -10.521) 20.021 7.469 ( 11.436 -1.823 7.754) 13.937 7.777 ( -0.763 -7.955 -0.226) 7.995 7.999 ( -6.147 -4.353 6.423) 9.899 8.222 ( 5.001 4.862 1.203) 7.078 8.323 ( -3.063 7.771 -3.040) 8.889 8.783 ( 6.530 0.351 7.170) 9.705 8.962 ( 9.523 -2.012 0.462) 9.744 9.418 ( 2.959 -2.857 16.393) 16.901 9.719 ( 3.830 0.364 6.419) 7.484 10.102 ( 15.168 -11.291 3.530) 19.236 10.112 ( 9.244 -6.152 6.289) 12.761 10.400 ( 10.668 3.790 0.447) 11.330 10.667 ( -9.045 -5.564 -3.857) 11.298 10.861 ( -7.563 -1.195 3.272) 8.327 11.115 ( -2.200 -7.105 5.966) 9.535 11.230 ( -8.356 -3.998 -3.085) 9.764 11.373 ( -1.789 -1.610 -6.818) 7.231 11.566 ( -2.940 5.049 0.062) 5.843 11.785 ( -10.701 -3.017 -8.956) 14.277 12.669 ( 6.666 8.765 2.128) 11.215 12.915 ( -6.114 13.613 5.785) 16.005 13.561 ( -1.659 -3.098 -2.504) 4.314 13.714 ( -8.064 -0.855 -6.870) 10.628 14.062 ( 5.471 -3.274 -0.362) 6.386 14.221 ( -3.775 -1.798 5.504) 6.912 14.617 ( 0.284 1.017 0.578) 1.203 14.803 ( -5.060 2.302 -4.405) 7.093 14.976 ( 4.539 -2.141 -1.885) 5.362 15.023 ( 2.447 2.330 -1.521) 3.705 16.492 ( 2.204 3.860 -4.546) 6.358 16.526 ( -3.044 1.462 1.338) 3.633 16.675 ( 1.780 0.436 4.371) 4.739 16.737 ( 1.625 -0.253 -1.063) 1.958 17.704 ( 2.601 -2.027 -1.986) 3.849 17.797 ( 0.854 -3.109 -3.155) 4.511 18.299 ( 5.947 3.953 6.693) 9.787 18.516 ( 2.087 2.940 1.719) 3.994 18.618 ( 5.729 -1.299 -4.024) 7.121 18.933 ( -2.573 0.372 1.157) 2.846 19.092 ( 1.610 -4.544 -1.232) 4.975 19.249 ( -6.204 0.051 -0.647) 6.238 28.290 ( 1.316 4.430 0.792) 4.688 28.373 ( -0.848 3.445 -1.393) 3.811 28.601 ( 3.800 -2.296 0.780) 4.508 28.692 ( -0.427 -1.570 0.158) 1.635 29.932 ( 2.999 6.782 -0.104) 7.416 30.049 ( -4.077 6.745 3.010) 8.437 30.419 ( -1.618 -2.168 5.349) 5.994 30.683 ( 7.960 -2.397 -13.741) 16.060 31.165 ( 9.074 -0.062 -4.160) 9.983 31.234 ( 6.359 0.294 3.147) 7.101 31.421 ( 7.246 -2.527 6.047) 9.770 31.581 ( -9.022 -6.451 -3.598) 11.660 32.114 ( -14.655 11.941 -1.886) 18.998 32.396 ( -11.162 4.747 -3.282) 12.566 33.368 ( -2.766 -11.761 2.685) 12.377 33.554 ( -6.254 -6.988 4.541) 10.420 ======================= Grid point 253 (135/156) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 5.392 11.589 20.268) 23.961 2.329 ( -6.892 -1.171 -11.090) 13.110 2.802 ( -2.999 13.625 20.504) 24.801 3.195 ( 6.029 -4.195 -13.525) 15.391 3.463 ( -6.401 13.948 1.695) 15.440 3.563 ( 7.188 5.809 -5.029) 10.521 3.984 ( -2.384 -2.943 14.592) 15.076 4.149 ( -5.140 -4.960 -2.164) 7.464 4.536 ( 2.049 -1.278 5.679) 6.171 4.652 ( -0.358 0.816 -4.518) 4.605 4.840 ( -1.815 -0.689 4.487) 4.889 5.022 ( -1.274 -0.606 -10.331) 10.426 5.318 ( -1.115 3.092 -4.312) 5.422 5.332 ( -0.592 2.820 -5.832) 6.505 5.598 ( 0.697 -3.238 1.715) 3.730 5.744 ( 2.702 -8.186 -11.032) 14.000 6.350 ( 7.063 -8.090 10.867) 15.279 6.530 ( -2.739 -13.262 -6.261) 14.919 6.784 ( -13.470 11.105 3.728) 17.851 6.867 ( 6.833 10.269 -4.358) 13.082 7.439 ( -8.946 2.677 4.617) 10.417 7.590 ( 6.277 -2.016 -9.710) 11.737 7.823 ( -2.746 -2.011 3.519) 4.895 7.878 ( 9.217 -3.414 -2.010) 10.032 8.402 ( -1.470 9.032 1.521) 9.276 8.441 ( 1.846 9.903 -2.013) 10.273 8.833 ( -2.356 -7.766 5.725) 9.932 8.941 ( 2.727 -8.962 -4.665) 10.465 9.605 ( 1.442 -1.533 16.955) 17.085 9.848 ( 5.188 -0.969 -2.343) 5.775 9.958 ( -0.267 -15.798 -0.196) 15.801 10.028 ( 2.953 -10.605 -4.060) 11.733 10.509 ( -7.093 4.454 5.173) 9.843 10.583 ( 3.525 0.026 -1.180) 3.718 10.777 ( -0.670 -0.543 3.135) 3.251 10.858 ( -2.016 -2.486 -5.050) 5.979 11.124 ( -6.562 1.170 8.717) 10.974 11.269 ( 4.310 -4.131 -3.502) 6.922 11.551 ( -2.988 3.734 -0.936) 4.873 11.686 ( 8.345 -1.115 -11.898) 14.575 13.001 ( -5.586 7.565 6.293) 11.315 13.092 ( 6.016 3.798 -3.025) 7.731 13.515 ( -3.129 2.764 2.806) 5.030 13.590 ( 0.897 2.043 -4.873) 5.359 14.082 ( -7.915 -2.055 4.596) 9.381 14.158 ( 8.553 -3.965 -2.912) 9.867 14.672 ( -0.667 3.008 3.465) 4.637 14.719 ( -4.105 2.347 -0.946) 4.822 14.973 ( -1.540 -1.466 0.909) 2.313 15.028 ( 3.474 -2.454 -4.316) 6.059 16.517 ( -3.743 2.943 2.145) 5.223 16.564 ( 2.593 1.825 -2.547) 4.067 16.703 ( -0.759 -0.616 1.802) 2.050 16.745 ( 3.110 -1.356 -2.656) 4.309 17.695 ( 0.284 -0.400 0.542) 0.731 17.729 ( -0.004 -1.441 -2.923) 3.259 18.501 ( -0.536 1.181 3.024) 3.291 18.548 ( 0.353 -0.945 -1.702) 1.979 18.710 ( 0.970 2.210 4.872) 5.437 18.790 ( -3.039 -0.200 -2.992) 4.270 19.145 ( 0.343 1.449 1.872) 2.392 19.170 ( -0.174 0.030 -0.514) 0.543 28.412 ( 0.698 4.532 1.320) 4.772 28.436 ( -0.901 4.702 -1.217) 4.940 28.602 ( 1.729 -3.230 1.029) 3.806 28.622 ( -1.395 -2.775 -1.127) 3.304 30.100 ( -4.722 7.611 6.274) 10.935 30.210 ( 2.980 10.228 -5.313) 11.904 30.373 ( -4.589 -4.555 8.207) 10.448 30.563 ( 3.512 -6.164 -11.102) 13.175 31.198 ( 0.369 -0.936 -0.486) 1.117 31.208 ( -2.369 -0.995 -1.276) 2.869 31.542 ( 3.647 1.560 2.978) 4.960 31.582 ( 1.935 -0.363 -0.853) 2.146 32.169 ( 5.077 6.477 0.173) 8.232 32.216 ( -7.351 3.979 -4.314) 9.407 33.263 ( 4.104 -8.722 4.806) 10.771 33.302 ( -3.084 -9.382 0.671) 9.899 ======================= Grid point 254 (136/156) ======================= q-point: ( 0.09 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 24.340 13.609 -20.038) 34.339 2.610 ( 30.599 2.876 20.319) 36.843 2.985 ( -0.870 2.014 19.165) 19.290 3.131 ( 13.119 11.264 -22.766) 28.588 3.566 ( 11.377 -0.464 8.419) 14.160 3.789 ( 21.873 6.272 -9.665) 24.722 4.084 ( 9.680 -1.559 3.763) 10.502 4.317 ( 13.787 -13.506 7.608) 20.746 4.565 ( 4.738 1.570 -2.018) 5.384 4.670 ( 2.384 0.771 1.406) 2.873 4.876 ( 0.995 2.200 -0.094) 2.416 5.035 ( 6.355 1.200 4.757) 8.028 5.265 ( -2.246 2.565 1.054) 3.569 5.340 ( 4.094 5.527 2.556) 7.338 5.567 ( -2.224 -8.039 -1.594) 8.492 5.772 ( 8.539 -5.874 -3.353) 10.893 6.295 ( -9.590 -5.017 -10.887) 15.351 6.476 ( -6.080 -8.604 3.343) 11.053 6.741 ( 3.645 8.325 11.911) 14.983 6.997 ( 6.527 5.409 -0.848) 8.519 7.313 ( -12.476 6.755 10.134) 17.435 7.525 ( -3.455 -4.321 -5.506) 7.805 7.699 ( -7.926 -0.501 -4.838) 9.299 8.003 ( 7.156 -6.685 -6.485) 11.745 8.370 ( -3.583 8.496 0.574) 9.239 8.473 ( 3.523 10.153 -0.914) 10.785 8.793 ( -9.499 -8.357 5.126) 13.651 8.880 ( -1.284 -5.665 -6.066) 8.399 9.657 ( -4.035 0.666 -7.240) 8.315 9.799 ( -2.393 -4.812 -1.613) 5.611 9.890 ( -3.813 -7.506 -6.117) 10.407 10.011 ( -2.542 -10.610 0.051) 10.910 10.404 ( -9.160 3.780 3.901) 10.649 10.608 ( 2.145 -0.125 1.001) 2.370 10.839 ( -1.527 -5.791 1.935) 6.294 10.906 ( 9.708 -3.597 0.604) 10.370 11.187 ( 3.403 3.837 7.182) 8.825 11.363 ( 8.872 -2.504 -3.231) 9.768 11.572 ( 5.242 4.046 1.210) 6.731 11.761 ( 12.524 -2.582 -9.151) 15.725 12.859 ( -11.375 9.617 2.537) 15.110 13.154 ( 0.911 -2.692 -3.329) 4.377 13.503 ( -1.334 2.722 3.230) 4.430 13.642 ( 5.518 0.525 0.964) 5.626 13.943 ( -9.702 1.018 3.276) 10.290 14.248 ( 3.956 -7.577 -4.074) 9.469 14.666 ( -2.394 4.516 3.021) 5.937 14.733 ( 1.521 1.170 4.831) 5.198 14.928 ( -1.665 1.181 -0.443) 2.089 15.064 ( 3.266 -1.656 -2.338) 4.345 16.503 ( -0.236 4.036 2.777) 4.905 16.591 ( 1.951 0.723 -1.047) 2.329 16.705 ( 0.425 0.319 -0.462) 0.704 16.762 ( 2.406 -0.928 -3.924) 4.696 17.678 ( -2.562 -1.282 -1.702) 3.332 17.684 ( -2.962 -1.653 1.560) 3.733 18.452 ( -7.211 3.449 0.571) 8.014 18.534 ( -0.394 -0.567 -0.302) 0.753 18.630 ( -6.197 4.182 0.173) 7.478 18.811 ( -0.502 -5.446 3.237) 6.355 19.114 ( -1.905 3.461 -0.309) 3.962 19.239 ( 4.574 -1.580 -0.505) 4.866 28.400 ( -1.612 4.341 -1.186) 4.780 28.431 ( -0.188 4.469 1.544) 4.732 28.571 ( -2.543 -2.252 -1.246) 3.618 28.635 ( 0.639 -3.485 0.604) 3.594 30.048 ( -6.782 8.259 4.988) 11.794 30.239 ( 3.704 8.257 -2.259) 9.327 30.356 ( -7.297 -5.557 8.738) 12.668 30.513 ( 1.459 -4.565 -6.038) 7.709 31.122 ( -9.770 2.232 1.507) 10.134 31.242 ( -2.893 -3.142 -0.177) 4.275 31.441 ( -0.301 -1.075 -2.860) 3.070 31.501 ( -3.693 -2.546 -4.204) 6.148 32.328 ( 17.682 11.089 0.567) 20.879 32.445 ( 17.317 6.130 3.485) 18.698 33.222 ( -3.042 -7.452 -1.751) 8.237 33.393 ( 6.792 -13.226 -0.911) 14.895 ======================= Grid point 255 (137/156) ======================= q-point: ( 0.18 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 8.745 22.912 -22.682) 33.405 3.123 ( 9.544 12.281 -8.627) 17.786 3.259 ( 4.204 2.566 17.577) 18.254 3.317 ( 19.469 0.827 13.021) 23.437 3.880 ( 13.427 -10.895 2.164) 17.426 4.251 ( 32.172 -0.409 4.661) 32.511 4.356 ( 15.876 -3.731 -10.408) 19.347 4.634 ( 17.441 -8.287 3.827) 19.685 4.683 ( 4.489 0.954 0.639) 4.633 4.777 ( 11.654 -4.367 -2.030) 12.609 5.039 ( 14.473 8.924 1.522) 17.072 5.164 ( 1.438 -0.124 10.331) 10.431 5.307 ( 4.993 0.659 6.126) 7.930 5.571 ( 13.637 2.598 8.492) 16.274 5.612 ( 12.779 -2.450 -2.221) 13.200 5.950 ( 15.103 -5.900 -2.471) 16.401 6.039 ( -8.222 -0.499 -1.190) 8.323 6.412 ( -3.505 -6.209 3.353) 7.879 6.938 ( 1.451 5.018 3.368) 6.215 6.960 ( -4.067 1.829 -5.106) 6.779 7.234 ( -8.652 4.861 10.284) 14.291 7.434 ( 1.388 12.524 -8.067) 14.962 7.511 ( -6.604 -8.199 2.375) 10.793 7.973 ( -1.650 -9.685 -8.483) 12.980 8.301 ( -3.230 6.562 -1.069) 7.391 8.535 ( 1.586 7.303 0.939) 7.532 8.601 ( -12.004 -4.124 0.373) 12.699 8.823 ( 2.077 -4.210 -5.728) 7.406 9.484 ( -1.681 2.999 -10.953) 11.480 9.690 ( -7.607 1.493 -3.441) 8.481 9.740 ( -3.849 -9.234 -6.093) 11.714 9.930 ( -4.403 -5.644 -2.511) 7.586 10.312 ( -4.865 5.529 2.536) 7.789 10.662 ( 0.398 -5.802 3.461) 6.767 10.787 ( -4.341 -2.063 -1.417) 5.010 11.036 ( 5.922 -7.053 -4.608) 10.298 11.357 ( 5.553 5.139 8.524) 11.397 11.492 ( 6.571 -1.465 0.995) 6.805 11.722 ( 9.763 3.477 -2.055) 10.565 11.928 ( 11.643 -4.231 -1.754) 12.512 12.691 ( -9.653 7.071 0.807) 11.993 13.039 ( -8.978 -6.265 -3.336) 11.445 13.524 ( -0.794 2.754 3.123) 4.239 13.707 ( -2.779 -6.455 2.513) 7.464 13.895 ( 1.092 3.723 4.478) 5.925 14.214 ( -0.761 -9.147 -5.633) 10.769 14.687 ( -0.197 6.173 4.642) 7.727 14.814 ( 1.674 -1.092 4.073) 4.537 14.932 ( 1.768 6.188 0.147) 6.437 15.111 ( 4.263 1.187 0.749) 4.488 16.565 ( 3.275 3.408 2.801) 5.494 16.599 ( 0.004 1.865 -0.663) 1.979 16.708 ( 1.573 1.418 -3.002) 3.674 16.747 ( 1.680 -0.160 -4.318) 4.637 17.593 ( -6.238 -0.771 0.717) 6.326 17.645 ( -2.951 -4.929 1.739) 6.003 18.305 ( -7.738 6.901 -1.017) 10.418 18.503 ( -4.677 -0.938 -1.831) 5.109 18.546 ( -2.366 3.268 1.959) 4.485 18.822 ( -2.191 -8.580 4.506) 9.936 19.060 ( -2.697 5.075 -2.387) 6.223 19.274 ( 0.934 -4.516 -3.264) 5.649 28.357 ( -1.553 3.597 -1.406) 4.162 28.440 ( -0.737 2.555 1.500) 3.053 28.507 ( -2.797 -0.427 -1.462) 3.185 28.638 ( -0.786 -3.356 0.148) 3.450 29.986 ( -6.002 8.121 5.172) 11.346 30.264 ( 0.149 4.495 -0.476) 4.523 30.318 ( -4.227 -4.450 4.204) 7.439 30.476 ( -1.497 -2.455 -1.724) 3.353 30.909 ( -13.712 0.314 2.474) 13.937 30.972 ( -15.644 -2.186 -4.407) 16.399 31.508 ( 8.155 -0.851 -1.811) 8.397 31.631 ( 10.999 -6.311 2.480) 12.921 32.602 ( 11.381 13.958 -1.034) 18.040 32.798 ( 14.747 14.973 3.643) 21.329 33.216 ( 6.540 -12.870 -0.417) 14.443 33.509 ( 9.840 -14.714 -4.008) 18.149 ======================= Grid point 256 (138/156) ======================= q-point: ( 0.27 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 9.530 24.866 -8.795) 28.045 3.166 ( 13.358 7.492 -17.561) 23.301 3.443 ( -5.796 -2.316 21.079) 21.983 3.727 ( 10.345 2.255 13.207) 16.927 4.060 ( -0.267 -3.235 7.792) 8.441 4.387 ( 5.837 -10.623 -6.214) 13.621 4.558 ( -3.052 0.163 10.264) 10.709 4.775 ( 0.435 -8.768 0.754) 8.811 4.936 ( 1.270 6.255 1.550) 6.568 5.103 ( 27.834 -6.273 -5.435) 29.045 5.210 ( 5.276 -10.342 9.084) 14.741 5.352 ( -4.575 -9.840 8.199) 13.601 5.700 ( 32.314 9.773 3.082) 33.900 5.873 ( 15.978 4.410 -3.476) 16.936 5.948 ( 15.624 3.581 1.769) 16.126 5.990 ( 10.742 9.172 4.225) 14.743 6.365 ( 17.326 -7.506 1.958) 18.983 6.475 ( 17.618 -7.952 4.393) 19.823 6.748 ( -5.015 5.866 -8.958) 11.823 6.876 ( -7.522 4.042 -5.558) 10.189 7.274 ( 6.896 8.149 3.267) 11.164 7.437 ( 6.133 -3.514 -3.323) 7.810 7.537 ( 2.368 6.688 3.641) 7.975 7.808 ( -6.403 -6.393 -5.366) 10.520 8.226 ( -3.841 1.506 -1.841) 4.518 8.375 ( -8.397 -4.221 -0.222) 9.401 8.605 ( 2.844 10.620 -0.783) 11.022 8.841 ( 6.338 -4.178 -4.538) 8.844 9.391 ( 0.517 3.063 -4.829) 5.742 9.508 ( -9.838 3.024 0.112) 10.293 9.615 ( -2.037 -5.866 -7.509) 9.744 9.815 ( -5.161 -4.550 -3.087) 7.541 10.274 ( -3.086 8.822 2.785) 9.752 10.661 ( -2.739 3.502 -6.089) 7.539 10.693 ( -3.829 -8.862 4.445) 10.628 11.035 ( 2.495 -8.403 -7.739) 11.693 11.538 ( 3.850 2.128 8.231) 9.333 11.620 ( 5.649 -1.004 2.369) 6.207 11.813 ( 3.498 2.664 -3.743) 5.774 12.060 ( 1.087 -7.824 1.455) 8.032 12.521 ( -8.921 2.979 -1.064) 9.465 12.803 ( -13.375 -7.598 -1.885) 15.497 13.517 ( -3.753 3.274 2.621) 5.628 13.660 ( -3.073 -4.742 1.659) 5.889 13.979 ( 2.009 -1.144 1.713) 2.877 14.143 ( -0.192 -8.272 -4.994) 9.664 14.743 ( 1.519 7.243 2.900) 7.948 14.869 ( 0.385 -0.950 2.402) 2.612 14.981 ( 4.244 10.545 -0.095) 11.367 15.235 ( 4.699 2.788 4.088) 6.824 16.593 ( 0.463 2.349 0.433) 2.433 16.639 ( 1.505 1.256 0.285) 1.981 16.707 ( 4.614 2.953 -3.010) 6.250 16.763 ( 3.176 0.295 -1.709) 3.619 17.487 ( -7.298 -0.521 3.155) 7.968 17.618 ( -2.318 -7.498 1.787) 8.049 18.168 ( -5.735 5.870 -2.099) 8.471 18.356 ( -7.681 -0.862 -2.937) 8.268 18.558 ( 0.015 3.111 2.723) 4.134 18.835 ( -2.247 -7.989 5.127) 9.755 18.975 ( -2.872 4.966 -3.520) 6.731 19.210 ( -1.368 -5.680 -6.644) 8.847 28.319 ( -0.774 2.605 -1.733) 3.223 28.413 ( -2.967 -1.998 -1.153) 3.758 28.468 ( -0.566 3.781 0.631) 3.875 28.612 ( -1.811 -2.881 -0.354) 3.422 29.947 ( -5.019 7.626 5.821) 10.827 30.229 ( -3.232 0.078 -0.581) 3.285 30.298 ( -0.082 -2.189 -0.694) 2.297 30.411 ( -3.384 -2.235 -1.666) 4.384 30.706 ( -8.804 0.450 0.780) 8.850 30.759 ( -10.011 -1.942 4.679) 11.220 31.612 ( 3.826 0.220 0.138) 3.835 31.817 ( 5.120 -9.174 2.999) 10.926 32.755 ( 9.904 15.340 -3.384) 18.571 32.974 ( 6.545 14.907 -2.023) 16.406 33.453 ( 14.585 -13.181 2.351) 19.799 33.667 ( 10.654 -12.389 -1.350) 16.395 ======================= Grid point 257 (139/156) ======================= q-point: ( 0.36 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 15.821 20.546 6.595) 26.757 3.252 ( 13.320 -1.723 -10.242) 16.891 3.534 ( -7.338 5.699 18.664) 20.848 3.866 ( 1.348 -2.852 -4.272) 5.311 4.193 ( -0.408 7.458 18.814) 20.242 4.509 ( 4.338 -11.206 3.215) 12.439 4.599 ( 0.974 -3.285 3.737) 5.070 4.665 ( -9.932 -2.192 -1.672) 10.308 4.985 ( 2.682 -9.073 5.556) 10.972 5.071 ( -16.316 -13.581 1.438) 21.277 5.364 ( 7.250 -6.500 0.341) 9.743 5.511 ( 3.381 -6.962 8.250) 11.313 5.918 ( 2.544 3.596 4.849) 6.551 6.059 ( 3.151 -0.636 -4.095) 5.206 6.115 ( 6.456 11.605 2.023) 13.433 6.434 ( -0.397 7.517 -7.482) 10.613 6.531 ( 0.390 5.021 -8.170) 9.598 6.640 ( 11.107 -2.448 5.423) 12.600 6.837 ( 28.839 4.005 -7.202) 29.993 7.075 ( 28.921 -3.955 3.590) 29.410 7.479 ( 0.824 -0.158 -6.018) 6.076 7.526 ( 17.118 7.886 -2.728) 19.044 7.622 ( -0.609 -0.595 3.993) 4.083 7.782 ( 16.590 1.038 -1.508) 16.691 8.153 ( -2.976 1.378 2.045) 3.865 8.324 ( 0.615 0.985 2.466) 2.725 8.646 ( 3.545 10.532 -1.849) 11.266 8.924 ( 6.290 -3.935 -3.317) 8.128 9.307 ( -10.636 3.934 2.420) 11.596 9.400 ( 0.899 1.866 -4.006) 4.509 9.530 ( 1.265 -3.770 -6.035) 7.227 9.674 ( -9.743 -5.683 1.425) 11.369 10.250 ( -3.988 9.888 4.266) 11.483 10.520 ( -2.450 6.561 -9.255) 11.607 10.684 ( -2.468 -8.586 4.050) 9.809 10.985 ( 1.759 -9.120 -8.533) 12.613 11.629 ( -0.167 -0.916 0.544) 1.078 11.732 ( 2.074 0.035 4.954) 5.371 11.812 ( 1.319 -1.238 0.138) 1.814 11.968 ( -11.326 -8.483 0.629) 14.164 12.382 ( -3.930 -3.156 -2.841) 5.786 12.539 ( -13.720 -7.472 -1.537) 15.698 13.473 ( -3.697 5.014 3.503) 7.147 13.638 ( -0.878 -3.074 -0.209) 3.204 13.990 ( 0.080 -1.332 -1.694) 2.157 14.094 ( -0.477 -6.909 -3.975) 7.985 14.799 ( 2.780 6.837 0.506) 7.398 14.889 ( -0.012 0.818 1.447) 1.662 15.065 ( 3.801 11.368 0.419) 11.994 15.286 ( -2.283 5.006 0.206) 5.506 16.637 ( 3.003 2.197 1.596) 4.049 16.700 ( 5.837 0.488 1.833) 6.137 16.786 ( 4.002 1.552 0.566) 4.330 16.806 ( 2.966 1.072 -0.845) 3.265 17.421 ( -4.842 -0.944 5.327) 7.260 17.597 ( -1.637 -8.334 0.840) 8.535 18.055 ( -3.951 3.559 -2.915) 6.064 18.184 ( -7.380 -1.151 -3.559) 8.274 18.599 ( 0.936 3.645 3.226) 4.957 18.842 ( -2.382 -3.258 3.110) 5.095 18.897 ( -2.639 1.056 -1.096) 3.046 19.113 ( -0.171 -5.698 -7.910) 9.750 28.294 ( 0.142 1.340 -1.896) 2.326 28.343 ( -2.713 -0.864 -1.612) 3.272 28.475 ( 0.099 2.126 1.000) 2.351 28.571 ( -2.016 -2.081 -0.673) 2.975 29.929 ( -4.193 6.140 6.078) 9.604 30.148 ( -3.114 -1.286 -3.071) 4.559 30.311 ( 3.216 -1.647 -1.673) 3.981 30.359 ( -1.176 -2.341 0.840) 2.751 30.615 ( -4.992 0.774 2.930) 5.839 30.655 ( -7.784 -1.081 4.545) 9.078 31.658 ( 1.171 0.039 1.294) 1.746 31.867 ( -1.804 -9.558 1.666) 9.869 32.900 ( 9.841 14.191 -3.085) 17.543 33.051 ( 5.730 12.001 -3.730) 13.811 33.696 ( 11.169 -9.598 -0.406) 14.732 33.823 ( 5.260 -10.268 1.866) 11.687 ======================= Grid point 258 (140/156) ======================= q-point: ( 0.45 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 13.906 12.286 15.154) 23.958 3.375 ( -1.412 -0.464 5.601) 5.794 3.633 ( 8.203 9.266 6.033) 13.768 3.871 ( 3.672 0.506 -1.179) 3.890 4.141 ( -18.029 4.948 -0.813) 18.713 4.330 ( -11.893 -6.429 -10.666) 17.221 4.593 ( -3.533 -6.697 13.654) 15.613 4.812 ( 12.195 -6.002 2.704) 13.858 4.927 ( -1.333 -14.515 2.839) 14.850 5.111 ( 2.818 -12.435 3.190) 13.143 5.437 ( 0.587 -1.623 2.973) 3.438 5.603 ( -3.291 -4.217 8.738) 10.245 5.947 ( -1.622 6.120 -0.831) 6.385 6.089 ( 6.811 -0.437 -6.858) 9.676 6.124 ( -2.519 3.801 0.858) 4.640 6.367 ( -5.368 -1.475 -4.502) 7.160 6.382 ( 2.835 4.487 -1.416) 5.493 6.655 ( -1.461 -5.527 -7.247) 9.230 7.310 ( 3.596 7.762 0.662) 8.580 7.386 ( -1.248 5.646 -5.530) 8.001 7.469 ( 20.555 1.234 0.379) 20.595 7.634 ( 1.022 -4.877 -1.502) 5.204 7.901 ( 21.921 8.585 2.738) 23.701 8.158 ( 9.035 10.607 2.963) 14.246 8.163 ( 6.942 -1.203 1.315) 7.167 8.351 ( -3.678 5.011 2.795) 6.816 8.686 ( 0.847 8.082 2.370) 8.464 8.927 ( -0.884 0.830 -7.444) 7.542 9.178 ( -8.485 -0.392 8.424) 11.963 9.367 ( 3.248 -0.123 -10.797) 11.276 9.482 ( -7.670 -5.703 4.125) 10.411 9.552 ( 1.079 -5.448 -2.751) 6.198 10.230 ( -3.775 9.785 6.054) 12.110 10.410 ( 1.752 8.952 -9.286) 13.017 10.711 ( 1.497 -7.785 2.730) 8.384 10.911 ( 1.300 -7.476 -9.864) 12.445 11.597 ( -3.198 -5.316 3.661) 7.203 11.738 ( -9.701 -7.618 -0.817) 12.362 11.821 ( 1.022 0.010 3.283) 3.438 11.869 ( 4.126 -3.801 -0.790) 5.665 12.312 ( -3.296 -8.122 -1.631) 8.916 12.316 ( -5.630 -5.436 -2.273) 8.149 13.477 ( -1.053 5.055 4.973) 7.169 13.610 ( -0.682 -0.705 -2.595) 2.774 13.969 ( -0.841 -1.712 -0.238) 1.923 14.037 ( -0.929 -4.714 -3.777) 6.111 14.852 ( 1.011 6.662 1.855) 6.989 14.898 ( 0.598 2.626 -0.509) 2.741 15.113 ( 1.615 8.533 0.252) 8.688 15.196 ( -4.812 6.457 -1.980) 8.292 16.729 ( 3.056 3.398 3.333) 5.656 16.802 ( 0.847 0.340 0.509) 1.045 16.839 ( 0.723 2.072 2.401) 3.253 16.870 ( 6.207 1.075 -1.944) 6.592 17.436 ( -0.617 -3.186 6.486) 7.253 17.582 ( 0.742 -7.917 -1.933) 8.184 17.975 ( -1.479 1.263 -2.125) 2.881 18.032 ( -5.107 -0.839 -3.117) 6.042 18.655 ( 0.815 3.607 4.016) 5.459 18.801 ( -0.828 4.727 -4.162) 6.352 18.873 ( -4.808 -5.516 7.532) 10.501 19.047 ( 2.688 -6.200 -8.379) 10.765 28.282 ( 0.380 0.209 -1.360) 1.427 28.290 ( -1.286 -0.034 -1.096) 1.690 28.491 ( 0.586 0.640 0.904) 1.253 28.532 ( -1.294 -1.167 -0.820) 1.926 29.928 ( -3.338 3.848 6.511) 8.267 30.069 ( -1.118 -1.419 -3.879) 4.279 30.364 ( -1.935 -1.311 3.932) 4.574 30.382 ( 6.593 -1.189 -3.267) 7.454 30.565 ( -4.825 0.676 3.376) 5.927 30.587 ( -1.291 -0.104 0.332) 1.337 31.706 ( 2.427 -2.416 2.258) 4.102 31.816 ( -3.898 -7.303 -0.231) 8.282 33.015 ( 4.983 12.815 -1.273) 13.808 33.082 ( 1.434 11.205 -3.354) 11.784 33.830 ( -0.614 -8.044 4.667) 9.320 33.892 ( 5.941 -9.147 -4.085) 11.647 ======================= Grid point 259 (141/156) ======================= q-point: (-0.45 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( -21.259 12.250 10.717) 26.774 3.419 ( -1.851 1.572 -4.724) 5.311 3.684 ( -11.791 7.996 2.440) 14.454 3.878 ( 0.154 0.578 1.545) 1.657 4.108 ( 12.004 -3.620 6.416) 14.084 4.153 ( 9.411 -0.349 -0.966) 9.467 4.691 ( -0.418 -11.043 8.899) 14.189 4.877 ( 5.143 -10.827 -12.104) 17.035 5.053 ( -2.281 -7.496 -2.282) 8.161 5.076 ( 1.011 -8.477 1.909) 8.748 5.486 ( -6.221 3.549 3.866) 8.139 5.602 ( 6.555 3.097 3.901) 8.232 5.979 ( -2.022 -2.158 6.570) 7.205 6.081 ( -1.716 -4.165 -15.311) 15.960 6.169 ( 3.496 1.262 2.656) 4.569 6.208 ( 5.669 -0.779 0.073) 5.723 6.493 ( -2.789 -0.083 -5.203) 5.904 6.553 ( 5.989 -2.618 -0.241) 6.541 7.234 ( -13.802 7.028 5.945) 16.591 7.332 ( -4.011 4.420 1.077) 6.065 7.496 ( -15.924 2.814 -1.973) 16.291 7.628 ( -1.761 -3.028 -0.860) 3.607 7.963 ( -15.260 11.380 -2.697) 19.226 8.194 ( -3.210 10.985 -1.647) 11.562 8.206 ( -8.103 -0.520 -1.242) 8.215 8.372 ( 5.738 5.411 0.351) 7.895 8.740 ( -3.272 3.150 2.135) 5.018 8.819 ( 1.849 1.482 -1.731) 2.935 9.164 ( -3.238 -0.981 8.356) 9.015 9.288 ( -4.629 -6.530 2.166) 8.292 9.465 ( 5.367 -0.093 -3.114) 6.206 9.628 ( 10.313 -4.703 -5.474) 12.587 10.254 ( -1.202 11.113 6.427) 12.894 10.381 ( 5.420 9.629 -8.801) 14.126 10.747 ( -1.482 -6.841 1.504) 7.159 10.876 ( 7.539 -7.666 -9.348) 14.247 11.558 ( -8.598 -4.887 6.197) 11.671 11.682 ( 3.840 -9.407 5.740) 11.670 11.858 ( 2.917 1.426 -3.252) 4.595 11.970 ( 10.006 -3.882 -7.214) 12.932 12.230 ( -2.911 -4.982 4.285) 7.188 12.328 ( 5.622 -9.112 -1.213) 10.775 13.526 ( -0.353 3.215 4.711) 5.714 13.568 ( 0.676 2.154 -3.242) 3.951 13.958 ( -2.284 -2.539 2.678) 4.340 13.999 ( 0.574 -4.220 -1.645) 4.565 14.827 ( -5.361 6.750 3.014) 9.131 14.926 ( 2.458 1.641 -1.901) 3.514 15.107 ( -2.712 8.375 0.575) 8.822 15.168 ( 3.187 5.905 0.891) 6.769 16.745 ( -5.001 2.071 1.733) 5.683 16.779 ( -3.896 0.374 1.688) 4.263 16.863 ( 0.897 4.327 -1.111) 4.557 16.925 ( 3.469 2.169 -5.101) 6.539 17.517 ( 2.147 -5.941 4.567) 7.795 17.575 ( 3.708 -7.074 -7.258) 10.792 17.958 ( -0.548 0.437 -0.460) 0.838 17.980 ( 2.702 -0.352 2.021) 3.393 18.696 ( -1.953 3.058 3.164) 4.815 18.758 ( 2.079 5.601 -3.385) 6.866 18.865 ( -5.999 -4.801 9.175) 11.968 19.032 ( 4.928 -6.818 -7.492) 11.265 28.263 ( -0.853 0.688 0.329) 1.144 28.291 ( 1.544 -0.494 -0.901) 1.854 28.505 ( -0.486 -0.117 -0.242) 0.555 28.521 ( 1.428 -0.583 0.112) 1.547 29.946 ( -2.951 2.567 6.869) 7.904 30.042 ( 2.758 -0.003 -3.369) 4.354 30.320 ( -6.147 0.406 2.598) 6.686 30.441 ( 2.017 -3.427 -2.701) 4.807 30.579 ( 5.034 1.589 0.575) 5.311 30.621 ( 5.624 -0.257 -2.181) 6.038 31.744 ( -2.737 -3.571 -1.478) 4.736 31.791 ( 3.948 -5.902 2.289) 7.461 33.009 ( -5.908 11.303 -0.318) 12.758 33.050 ( -1.383 12.093 -0.597) 12.186 33.772 ( -10.069 -5.490 5.497) 12.717 33.956 ( 5.208 -11.490 -5.523) 13.771 ======================= Grid point 260 (142/156) ======================= q-point: (-0.36 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -22.879 19.672 -2.779) 30.301 3.069 ( -22.099 8.141 4.347) 23.948 3.737 ( -1.932 -3.948 8.577) 9.638 3.774 ( -2.283 -6.870 -4.952) 8.771 4.387 ( 10.777 1.595 1.854) 11.051 4.429 ( 4.231 -7.094 7.675) 11.276 4.690 ( -3.927 2.934 -9.003) 10.251 4.788 ( 6.067 -3.306 -8.885) 11.256 5.019 ( -3.671 -10.531 -0.042) 11.152 5.135 ( 11.995 -7.853 -2.516) 14.556 5.357 ( -8.733 -3.339 0.358) 9.357 5.742 ( 0.508 -8.787 -13.116) 15.796 5.924 ( -1.681 5.487 8.985) 10.661 5.976 ( -1.782 4.020 -3.575) 5.667 6.197 ( -0.579 7.712 -5.245) 9.345 6.379 ( 2.214 2.687 0.383) 3.502 6.413 ( -0.109 1.321 3.351) 3.604 6.608 ( -8.230 -5.594 5.607) 11.422 6.800 ( -28.707 3.637 -0.691) 28.945 7.085 ( -28.609 -5.168 2.847) 29.211 7.340 ( -0.210 0.871 5.694) 5.764 7.428 ( -20.182 -1.111 2.840) 20.411 7.749 ( -3.243 9.255 -2.904) 10.227 7.817 ( -15.349 5.745 -6.185) 17.517 8.206 ( 1.623 1.288 -2.491) 3.240 8.374 ( -1.767 1.888 -2.374) 3.511 8.646 ( -3.187 5.575 -3.112) 7.136 8.858 ( -3.832 -1.436 3.606) 5.455 9.232 ( 0.586 -0.079 7.789) 7.811 9.308 ( 0.586 -4.095 6.982) 8.115 9.526 ( 6.037 1.837 -6.575) 9.113 9.740 ( 6.714 -3.952 -3.709) 8.629 10.325 ( 1.013 12.405 6.033) 13.831 10.402 ( 6.340 8.273 -6.278) 12.168 10.747 ( 1.849 -6.618 -0.309) 6.878 10.913 ( 3.490 -10.682 -4.269) 12.021 11.534 ( -2.367 0.872 6.935) 7.379 11.820 ( 1.494 -4.622 0.526) 4.886 11.873 ( 3.716 -1.724 -4.828) 6.331 12.018 ( 7.493 -4.631 -6.382) 10.878 12.303 ( 4.444 -1.584 5.264) 7.069 12.506 ( 12.625 -9.107 1.725) 15.662 13.530 ( 1.278 4.199 -1.718) 4.713 13.608 ( 2.152 -0.184 2.362) 3.201 13.946 ( -2.066 -1.733 3.245) 4.219 14.023 ( 0.743 -6.505 2.572) 7.034 14.771 ( -4.005 6.355 2.930) 8.063 14.920 ( -0.832 -1.626 -0.968) 2.067 15.072 ( -2.151 10.582 -0.784) 10.827 15.257 ( 3.177 4.578 3.050) 6.353 16.646 ( -6.099 2.110 0.710) 6.493 16.695 ( -6.541 -0.550 0.969) 6.636 16.832 ( -1.254 3.953 -3.311) 5.307 16.884 ( -0.269 2.660 -7.539) 7.999 17.557 ( 4.688 -5.487 -7.505) 10.412 17.602 ( 4.124 -6.959 -0.904) 8.139 17.999 ( 3.267 2.860 2.480) 5.000 18.107 ( 6.711 -1.293 4.648) 8.265 18.658 ( -1.482 3.788 -2.032) 4.547 18.803 ( 2.227 5.071 2.542) 6.094 18.865 ( -4.244 -5.756 8.298) 10.954 19.052 ( 4.170 -6.293 -4.161) 8.620 28.264 ( 0.065 1.592 1.070) 1.920 28.323 ( 2.510 -0.955 0.356) 2.709 28.493 ( 0.022 1.071 -0.931) 1.419 28.559 ( 2.132 -1.445 0.615) 2.648 29.970 ( -1.242 3.804 4.856) 6.293 30.091 ( 4.803 2.428 -0.896) 5.456 30.238 ( -5.644 0.020 3.253) 6.514 30.443 ( 3.138 -5.204 -3.642) 7.085 30.682 ( 7.676 1.230 -4.544) 9.005 30.728 ( 8.980 -0.960 -2.847) 9.469 31.691 ( -1.187 0.121 -1.991) 2.321 31.873 ( 2.242 -8.402 1.088) 8.763 32.856 ( -10.964 12.347 1.419) 16.573 32.990 ( -5.832 11.757 2.190) 13.305 33.616 ( -13.694 -4.889 5.484) 15.541 33.929 ( -1.642 -14.537 -6.580) 16.041 ======================= Grid point 261 (143/156) ======================= q-point: (-0.27 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -18.656 25.861 -0.914) 31.901 2.826 ( -17.866 16.128 15.716) 28.745 3.659 ( -5.868 -16.783 -1.041) 17.810 3.784 ( -4.375 -3.853 6.387) 8.647 4.278 ( -7.218 2.311 -12.466) 14.589 4.447 ( -5.965 -7.457 -8.248) 12.619 4.651 ( -0.172 -1.545 0.573) 1.657 4.779 ( 0.982 1.955 -4.120) 4.665 4.932 ( -4.555 5.120 0.724) 6.891 5.033 ( -29.246 -4.115 1.368) 29.565 5.383 ( -4.724 -9.434 -4.312) 11.398 5.502 ( -4.202 -9.891 -5.817) 12.220 5.720 ( -21.301 9.655 -3.316) 23.621 5.858 ( -7.594 4.898 -5.561) 10.610 5.993 ( -17.308 1.040 -0.702) 17.353 6.141 ( -3.016 6.695 -10.376) 12.711 6.440 ( -14.374 -2.088 -1.649) 14.618 6.552 ( -12.845 -9.405 -3.044) 16.209 6.576 ( 1.645 0.523 8.367) 8.543 6.738 ( 2.270 0.619 7.664) 8.017 7.156 ( -10.046 4.033 9.193) 14.202 7.432 ( 3.074 -8.672 3.114) 9.713 7.619 ( 0.774 7.287 -5.277) 9.031 7.778 ( 5.065 1.070 -2.975) 5.970 8.211 ( 1.169 2.916 -0.445) 3.173 8.380 ( 5.412 -0.601 -0.374) 5.458 8.580 ( -1.107 7.531 -0.305) 7.618 8.784 ( -6.727 -1.880 1.787) 7.210 9.293 ( -1.625 0.229 5.550) 5.787 9.430 ( 1.815 -5.523 10.151) 11.698 9.554 ( 4.577 2.696 -4.252) 6.804 9.796 ( 3.403 -3.715 -0.869) 5.113 10.361 ( 2.303 13.219 -3.624) 13.899 10.506 ( 3.734 3.854 6.658) 8.551 10.794 ( 4.386 -7.556 -2.604) 9.117 10.913 ( -1.587 -11.886 1.641) 12.103 11.552 ( -3.495 3.553 3.419) 6.044 11.775 ( -3.305 -2.869 -7.086) 8.329 11.800 ( -1.945 6.024 -4.065) 7.523 12.112 ( 3.742 -9.533 -4.197) 11.068 12.475 ( 9.008 4.230 3.629) 10.592 12.753 ( 11.127 -6.476 3.189) 13.263 13.556 ( 2.760 3.058 -1.225) 4.298 13.673 ( 3.718 -3.088 0.260) 4.840 13.965 ( -0.389 -1.550 4.235) 4.526 14.055 ( -0.799 -8.468 2.786) 8.950 14.749 ( -1.894 5.605 2.193) 6.310 14.891 ( -2.122 -2.105 0.186) 2.995 15.006 ( -1.931 9.856 -2.917) 10.458 15.285 ( -3.061 1.480 -0.336) 3.417 16.580 ( -3.112 1.922 3.477) 5.047 16.606 ( -2.936 1.023 -0.021) 3.109 16.768 ( -2.477 2.439 -3.573) 4.985 16.776 ( -1.477 2.862 -6.762) 7.490 17.582 ( 6.286 -3.285 -6.208) 9.426 17.655 ( 4.005 -6.789 -2.659) 8.319 18.108 ( 4.992 5.693 3.783) 8.464 18.291 ( 7.977 -1.402 4.014) 9.040 18.618 ( 0.161 3.545 -3.100) 4.712 18.876 ( 1.992 0.525 1.886) 2.793 18.891 ( -0.965 -4.155 6.522) 7.793 19.099 ( 2.709 -4.920 2.225) 6.041 28.288 ( 1.085 2.614 1.393) 3.155 28.387 ( 3.412 -1.819 1.310) 4.082 28.485 ( 0.284 2.812 -1.060) 3.019 28.604 ( 2.122 -2.230 0.517) 3.122 30.003 ( 0.138 5.907 2.974) 6.615 30.166 ( 2.727 8.255 -0.494) 8.708 30.227 ( 0.445 -4.640 6.218) 7.771 30.489 ( 7.533 -6.216 -5.580) 11.248 30.763 ( 7.798 2.043 -5.258) 9.625 30.856 ( 9.920 -2.779 -4.864) 11.393 31.638 ( -3.075 1.958 -2.368) 4.347 31.858 ( -4.745 -8.255 -0.986) 9.572 32.684 ( -10.543 14.183 3.838) 18.085 32.916 ( -5.535 12.634 3.433) 14.214 33.412 ( -15.220 -9.114 5.081) 18.454 33.744 ( -10.405 -16.383 -7.483) 20.801 ======================= Grid point 262 (144/156) ======================= q-point: (-0.18 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -14.371 29.242 11.245) 34.468 2.736 ( -15.773 21.531 21.437) 34.233 3.490 ( -16.553 -14.964 -0.109) 22.314 3.628 ( -11.307 -2.080 -10.493) 15.565 3.994 ( -23.744 -1.875 -9.529) 25.653 4.094 ( -15.859 -1.604 7.071) 17.438 4.334 ( -40.862 3.147 -1.299) 41.004 4.580 ( -15.180 3.321 8.309) 17.621 4.694 ( -11.751 -9.744 -0.802) 15.286 4.828 ( 0.036 -1.664 -7.156) 7.347 5.014 ( -12.401 11.330 2.485) 16.980 5.365 ( -11.460 1.804 -5.050) 12.652 5.511 ( -0.290 -3.300 -14.175) 14.557 5.638 ( -11.191 -0.627 -5.617) 12.538 5.726 ( -1.107 -4.369 -10.263) 11.210 5.969 ( -10.613 -12.567 -3.166) 16.751 6.113 ( -1.921 1.042 -7.318) 7.637 6.477 ( 3.417 -3.356 -2.985) 5.644 6.785 ( 7.029 4.409 10.674) 13.520 6.943 ( 5.278 -1.291 4.362) 6.967 7.233 ( 6.368 8.599 6.665) 12.606 7.487 ( 5.277 2.206 -9.010) 10.672 7.603 ( 4.882 -0.632 -5.730) 7.555 7.838 ( 0.319 -8.743 4.088) 9.657 8.262 ( 3.172 7.631 2.580) 8.657 8.531 ( 6.003 2.758 1.735) 6.830 8.615 ( 6.350 1.351 -2.118) 6.829 8.702 ( -3.621 -2.904 6.453) 7.949 9.322 ( -1.223 2.012 5.827) 6.285 9.563 ( 1.129 -7.200 9.383) 11.881 9.639 ( 6.373 -0.163 3.698) 7.370 9.871 ( 3.898 -4.865 2.917) 6.883 10.375 ( 3.979 8.712 -2.591) 9.921 10.623 ( -0.335 1.175 6.935) 7.042 10.813 ( 1.943 -9.249 -4.576) 10.501 10.919 ( -1.967 -9.413 6.781) 11.767 11.456 ( -9.928 4.151 0.132) 10.762 11.584 ( -7.234 0.249 -7.692) 10.562 11.737 ( -0.860 6.793 -4.769) 8.345 11.996 ( -7.718 -6.631 -9.181) 13.705 12.675 ( 9.404 7.899 2.368) 12.507 12.958 ( 6.691 -2.593 4.944) 8.714 13.572 ( 0.460 1.883 -1.714) 2.587 13.739 ( 2.795 -5.054 -0.854) 5.838 13.981 ( 0.794 -1.655 -3.413) 3.876 14.082 ( -0.745 -6.845 7.232) 9.985 14.726 ( -3.092 5.555 0.976) 6.432 14.849 ( -1.524 -1.665 -0.169) 2.264 14.975 ( 1.607 4.121 -3.744) 5.795 15.155 ( -6.889 0.972 -3.340) 7.718 16.583 ( -1.010 1.895 1.207) 2.463 16.610 ( -0.091 1.152 4.280) 4.433 16.658 ( -1.738 4.524 -4.917) 6.904 16.729 ( -0.122 -0.113 -2.143) 2.150 17.631 ( 4.329 -2.141 -3.032) 5.702 17.698 ( 4.911 -4.629 -4.027) 7.859 18.253 ( 6.441 7.554 3.996) 10.701 18.457 ( 5.935 -0.589 2.896) 6.630 18.599 ( 1.557 2.445 -3.226) 4.337 18.886 ( 0.505 -9.322 -1.848) 9.517 18.983 ( 2.160 4.040 5.912) 7.479 19.189 ( 1.586 -4.649 5.415) 7.312 28.330 ( 1.837 3.392 1.367) 4.092 28.457 ( 2.258 -2.026 0.065) 3.034 28.487 ( 1.566 3.511 0.241) 3.852 28.639 ( 1.283 -2.717 0.046) 3.005 30.038 ( 0.899 7.070 1.971) 7.394 30.202 ( -0.043 6.464 3.981) 7.592 30.323 ( 4.004 -1.787 0.014) 4.384 30.578 ( 9.454 -6.040 -8.615) 14.145 30.902 ( 13.146 1.776 0.452) 13.274 30.996 ( 11.963 -2.852 -4.144) 12.977 31.508 ( -8.711 1.759 -1.898) 9.087 31.687 ( -11.030 -6.505 -2.914) 13.133 32.566 ( -8.422 14.289 3.095) 16.873 32.824 ( -10.457 14.890 1.116) 18.229 33.196 ( -11.689 -16.430 1.735) 20.238 33.466 ( -12.301 -14.468 -0.302) 18.993 ======================= Grid point 263 (145/156) ======================= q-point: (-0.09 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -19.801 25.892 19.780) 38.128 2.668 ( -19.777 15.300 23.399) 34.245 2.940 ( -30.277 -2.497 -10.871) 32.266 3.279 ( -9.829 -7.015 -6.687) 13.804 3.612 ( -13.294 -4.560 2.542) 14.282 3.755 ( -16.233 16.351 -8.843) 24.679 3.948 ( -13.272 -0.830 15.218) 20.210 4.383 ( -19.932 5.188 10.503) 23.119 4.496 ( -2.188 -10.574 -6.736) 12.727 4.730 ( -1.757 0.605 -5.892) 6.178 4.889 ( -4.742 0.390 -0.552) 4.790 5.164 ( -4.608 -0.823 -5.193) 6.991 5.389 ( 2.025 0.698 -11.702) 11.897 5.460 ( -6.322 -3.200 -2.054) 7.378 5.593 ( 2.713 1.860 -12.174) 12.611 5.834 ( -0.787 -14.232 -7.270) 16.001 6.134 ( 4.890 0.747 4.997) 7.031 6.536 ( 5.360 -9.183 -2.612) 10.949 6.909 ( -5.387 5.574 1.233) 7.849 6.929 ( -2.540 7.269 -1.408) 7.828 7.453 ( 6.760 3.316 3.796) 8.432 7.523 ( 10.912 5.216 -11.556) 16.728 7.661 ( 8.415 -3.230 -1.466) 9.132 7.864 ( -4.330 -9.218 7.509) 12.653 8.361 ( 4.191 9.085 1.630) 10.137 8.484 ( -4.075 8.137 -1.884) 9.293 8.766 ( 3.692 -3.026 4.164) 6.335 8.842 ( 9.857 -9.910 1.794) 14.092 9.405 ( 0.674 2.388 12.395) 12.641 9.703 ( 3.658 -4.351 9.430) 11.011 9.835 ( 10.303 -9.238 2.211) 14.013 9.979 ( 3.208 -7.444 3.550) 8.849 10.465 ( 8.058 3.011 -1.065) 8.668 10.598 ( -6.677 -0.875 2.352) 7.134 10.807 ( -3.248 -2.885 3.653) 5.676 10.949 ( -0.131 -8.268 -1.085) 8.340 11.242 ( -12.585 3.963 1.965) 13.339 11.359 ( -9.403 -0.524 -4.611) 10.485 11.663 ( -1.964 4.028 -6.436) 7.843 11.744 ( -4.293 -1.180 -9.978) 10.926 12.865 ( 9.550 8.966 1.786) 13.221 13.077 ( 0.281 1.277 4.571) 4.754 13.545 ( -1.376 2.748 -0.963) 3.221 13.693 ( -4.452 -1.453 -3.965) 6.136 14.009 ( 7.482 -1.284 -3.132) 8.212 14.140 ( -2.541 -5.489 6.429) 8.827 14.679 ( -2.949 3.999 1.641) 5.233 14.814 ( -2.727 -1.337 -2.505) 3.937 14.954 ( 1.737 1.152 -2.893) 3.566 15.054 ( -1.467 -0.110 -1.819) 2.339 16.562 ( -2.461 2.371 0.475) 3.450 16.575 ( -0.379 3.101 -3.185) 4.461 16.680 ( 0.195 0.083 3.748) 3.754 16.723 ( 1.699 -1.171 -1.783) 2.727 17.670 ( 2.420 -0.679 -0.857) 2.655 17.735 ( 3.399 -2.743 -3.751) 5.757 18.412 ( 5.855 6.067 3.906) 9.292 18.543 ( 1.606 -0.776 0.268) 1.804 18.619 ( 3.441 2.430 -0.054) 4.213 18.865 ( -0.660 -6.875 -2.336) 7.290 19.076 ( 2.254 2.882 3.871) 5.326 19.222 ( -2.718 -2.584 1.716) 4.125 28.377 ( 1.688 3.959 1.235) 4.478 28.458 ( -0.056 3.817 -1.302) 4.033 28.548 ( 2.830 -2.158 1.236) 3.767 28.647 ( -0.123 -2.869 -0.601) 2.934 30.079 ( 0.333 7.348 3.304) 8.063 30.229 ( -0.107 9.126 -0.052) 9.127 30.358 ( -0.055 -3.042 1.619) 3.446 30.604 ( 6.159 -5.596 -11.879) 14.504 31.171 ( 10.895 0.750 -2.599) 11.226 31.229 ( 10.098 -1.040 1.255) 10.229 31.377 ( 2.178 -0.880 3.362) 4.102 31.470 ( -6.337 -4.537 -1.544) 7.945 32.362 ( -15.634 11.498 -2.436) 19.559 32.516 ( -18.165 5.881 -3.709) 19.450 33.141 ( 0.439 -8.387 6.435) 10.580 33.349 ( -5.086 -12.215 3.879) 13.788 ======================= Grid point 264 (146/156) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -2.507 -9.035 5.032) 10.642 2.233 ( -2.507 9.035 5.032) 10.642 3.014 ( 1.163 -9.295 4.288) 10.302 3.014 ( 1.163 9.295 4.288) 10.302 3.752 ( 4.301 -14.364 7.506) 16.768 3.752 ( 4.301 14.364 7.506) 16.768 3.882 ( -4.315 -19.254 -10.760) 22.475 3.882 ( -4.315 19.254 -10.760) 22.475 4.650 ( -4.056 -4.652 1.527) 6.358 4.650 ( -4.056 4.652 1.527) 6.358 4.923 ( 2.879 -8.625 -0.743) 9.123 4.923 ( 2.879 8.625 -0.743) 9.123 5.346 ( -1.397 -1.723 -1.274) 2.558 5.346 ( -1.397 1.723 -1.274) 2.558 5.623 ( 0.996 -4.890 -3.323) 5.995 5.623 ( 0.996 4.890 -3.323) 5.995 6.294 ( 1.713 -6.445 -1.831) 6.916 6.294 ( 1.713 6.445 -1.831) 6.916 6.956 ( -4.631 -3.111 2.626) 6.166 6.956 ( -4.631 3.111 2.626) 6.166 7.510 ( -1.366 -4.464 -3.463) 5.812 7.510 ( -1.366 4.464 -3.463) 5.812 7.827 ( 4.885 -1.596 -0.179) 5.142 7.827 ( 4.885 1.596 -0.179) 5.142 8.620 ( -3.051 -11.095 3.739) 12.100 8.620 ( -3.051 11.095 3.739) 12.100 8.690 ( 3.665 -13.143 -3.680) 14.132 8.690 ( 3.665 13.143 -3.680) 14.132 9.679 ( 1.073 -8.817 11.719) 14.705 9.679 ( 1.073 8.817 11.719) 14.705 9.887 ( 2.791 -3.813 -6.788) 8.271 9.887 ( 2.791 3.813 -6.788) 8.271 10.578 ( -2.162 -1.758 3.727) 4.653 10.578 ( -2.162 1.758 3.727) 4.653 10.793 ( -0.336 -2.714 -2.115) 3.457 10.793 ( -0.336 2.714 -2.115) 3.457 11.190 ( -2.717 -4.044 4.023) 6.318 11.190 ( -2.717 4.044 4.023) 6.318 11.633 ( 4.231 -3.849 -9.296) 10.915 11.633 ( 4.231 3.849 -9.296) 10.915 13.093 ( -0.478 -2.311 2.152) 3.193 13.093 ( -0.478 2.311 2.152) 3.193 13.592 ( -1.828 -2.777 -0.008) 3.325 13.592 ( -1.828 2.777 -0.008) 3.325 14.081 ( 1.162 -2.478 -0.164) 2.741 14.081 ( 1.162 2.478 -0.164) 2.741 14.733 ( -2.293 -1.773 2.562) 3.868 14.733 ( -2.293 1.773 2.562) 3.868 14.974 ( 1.007 -2.014 -2.735) 3.543 14.974 ( 1.007 2.014 -2.735) 3.543 16.568 ( -1.426 -1.622 0.761) 2.290 16.568 ( -1.426 1.622 0.761) 2.290 16.711 ( 2.004 -1.526 -1.350) 2.858 16.711 ( 2.004 1.526 -1.350) 2.858 17.704 ( 0.242 -1.008 -1.253) 1.626 17.704 ( 0.242 1.008 -1.253) 1.626 18.521 ( -0.334 -1.205 0.199) 1.266 18.521 ( -0.334 1.205 0.199) 1.266 18.764 ( -0.419 -2.364 1.208) 2.687 18.764 ( -0.419 2.364 1.208) 2.687 19.165 ( 0.114 -0.574 0.935) 1.103 19.165 ( 0.114 0.574 0.935) 1.103 28.485 ( 0.301 -1.606 0.851) 1.842 28.485 ( 0.301 1.606 0.851) 1.842 28.568 ( -0.222 -1.529 -0.723) 1.706 28.568 ( -0.222 1.529 -0.723) 1.706 30.251 ( -4.799 -6.824 8.363) 11.813 30.251 ( -4.799 6.824 8.363) 11.813 30.411 ( 2.969 -8.716 -9.149) 12.980 30.411 ( 2.969 8.716 -9.149) 12.980 31.192 ( -0.987 -0.348 -1.234) 1.618 31.192 ( -0.987 0.348 -1.234) 1.618 31.569 ( 4.023 -1.013 1.419) 4.384 31.569 ( 4.023 1.013 1.419) 4.384 32.255 ( -1.519 -1.085 -2.649) 3.241 32.255 ( -1.519 1.085 -2.649) 3.241 33.179 ( 0.004 -1.346 3.016) 3.303 33.179 ( 0.004 1.346 3.016) 3.303 ======================= Grid point 266 (147/156) ======================= q-point: ( 0.09 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 30.403 -5.504 5.279) 31.345 2.612 ( 30.403 5.504 5.279) 31.345 3.079 ( 6.638 -9.058 -4.277) 12.017 3.079 ( 6.638 9.057 -4.277) 12.017 3.803 ( 5.444 -16.418 -4.145) 17.786 3.803 ( 5.444 16.418 -4.145) 17.786 4.041 ( 17.929 -11.334 5.492) 21.911 4.041 ( 17.929 11.334 5.492) 21.911 4.637 ( 0.252 -4.387 3.890) 5.869 4.637 ( 0.252 4.387 3.890) 5.869 5.001 ( 7.526 -6.232 -1.293) 9.857 5.001 ( 7.526 6.232 -1.293) 9.857 5.327 ( -1.592 -4.179 2.394) 5.073 5.327 ( -1.592 4.179 2.394) 5.073 5.620 ( 3.439 -9.655 -2.321) 10.509 5.620 ( 3.439 9.655 -2.321) 10.509 6.279 ( -1.327 -6.472 -2.574) 7.090 6.279 ( -1.327 6.472 -2.574) 7.090 6.946 ( -2.049 -9.118 6.918) 11.628 6.946 ( -2.049 9.118 6.918) 11.628 7.435 ( -6.644 -5.450 3.287) 9.200 7.435 ( -6.644 5.450 3.287) 9.200 7.822 ( 0.636 -10.071 -8.557) 13.231 7.822 ( 0.636 10.071 -8.557) 13.231 8.576 ( -6.119 -11.335 2.729) 13.166 8.576 ( -6.119 11.335 2.729) 13.166 8.700 ( 2.182 -11.241 -3.586) 11.999 8.700 ( 2.182 11.241 -3.586) 11.999 9.709 ( -2.883 -3.679 -4.812) 6.708 9.709 ( -2.883 3.679 -4.812) 6.708 9.846 ( -0.435 -3.644 -1.868) 4.118 9.846 ( -0.435 3.644 -1.868) 4.118 10.523 ( -6.251 -6.793 2.896) 9.675 10.523 ( -6.251 6.793 2.896) 9.675 10.828 ( 4.340 -3.243 0.101) 5.419 10.828 ( 4.340 3.243 0.101) 5.419 11.286 ( 6.141 -4.865 4.294) 8.934 11.286 ( 6.141 4.865 4.294) 8.935 11.678 ( 9.861 -5.370 -6.083) 12.771 11.678 ( 9.861 5.370 -6.083) 12.771 13.033 ( -7.604 -7.623 0.901) 10.805 13.033 ( -7.604 7.623 0.901) 10.805 13.587 ( -0.803 -4.678 2.900) 5.563 13.587 ( -0.803 4.678 2.900) 5.563 14.067 ( -1.230 -9.137 -1.697) 9.374 14.067 ( -1.230 9.137 -1.697) 9.374 14.732 ( -1.100 -1.768 3.526) 4.095 14.732 ( -1.100 1.768 3.526) 4.095 14.995 ( 3.396 -4.489 -1.126) 5.740 14.995 ( 3.396 4.489 -1.126) 5.740 16.573 ( 0.373 -2.506 1.859) 3.142 16.573 ( 0.373 2.506 1.859) 3.143 16.729 ( 2.557 -1.886 -3.091) 4.433 16.729 ( 2.557 1.886 -3.091) 4.433 17.666 ( -3.421 -0.456 -0.299) 3.464 17.666 ( -3.421 0.456 -0.299) 3.464 18.510 ( -1.677 -2.038 0.470) 2.680 18.510 ( -1.677 2.038 0.470) 2.680 18.711 ( -5.477 -4.290 0.884) 7.013 18.711 ( -5.477 4.290 0.884) 7.013 19.187 ( 1.302 -3.398 -0.557) 3.681 19.187 ( 1.302 3.398 -0.557) 3.681 28.470 ( -1.861 -1.892 -0.563) 2.712 28.470 ( -1.861 1.892 -0.563) 2.712 28.565 ( -0.126 -2.759 0.393) 2.789 28.565 ( -0.126 2.759 0.393) 2.789 30.216 ( -7.510 -7.941 6.808) 12.877 30.216 ( -7.510 7.941 6.808) 12.877 30.397 ( 2.521 -6.909 -3.406) 8.105 30.397 ( 2.521 6.909 -3.406) 8.105 31.176 ( -6.117 -3.076 0.451) 6.861 31.176 ( -6.117 3.076 0.451) 6.861 31.454 ( -3.293 -1.834 -4.251) 5.681 31.454 ( -3.293 1.834 -4.251) 5.681 32.490 ( 21.394 -3.320 1.555) 21.706 32.490 ( 21.394 3.320 1.555) 21.706 33.184 ( -0.572 -5.233 -0.505) 5.289 33.184 ( -0.572 5.233 -0.505) 5.289 ======================= Grid point 268 (148/156) ======================= q-point: ( 0.18 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 5.134 -21.045 -7.755) 23.009 2.903 ( 5.134 21.045 -7.755) 23.009 3.406 ( 20.007 -5.231 9.291) 22.671 3.406 ( 20.007 5.231 9.291) 22.671 3.919 ( 9.027 -18.921 -3.218) 21.210 3.919 ( 9.027 18.921 -3.218) 21.210 4.453 ( 21.437 -9.428 4.998) 23.946 4.453 ( 21.437 9.428 4.998) 23.946 4.730 ( 7.702 -2.302 -0.054) 8.039 4.730 ( 7.702 2.302 -0.054) 8.039 5.194 ( 2.104 -1.532 7.391) 7.836 5.194 ( 2.104 1.532 7.391) 7.836 5.399 ( 14.803 -11.566 4.565) 19.333 5.399 ( 14.803 11.566 4.565) 19.333 5.739 ( 15.304 -9.505 -5.191) 18.748 5.739 ( 15.304 9.505 -5.191) 18.748 6.215 ( -3.593 -11.983 1.381) 12.586 6.215 ( -3.593 11.983 1.381) 12.586 6.972 ( -0.656 -1.498 -0.944) 1.888 6.972 ( -0.656 1.498 -0.944) 1.888 7.368 ( -7.699 -6.813 8.979) 13.650 7.368 ( -7.699 6.813 8.979) 13.650 7.723 ( 0.969 -14.487 -9.616) 17.415 7.723 ( 0.969 14.487 -9.616) 17.415 8.445 ( -9.459 -7.664 -0.424) 12.181 8.445 ( -9.459 7.664 -0.424) 12.181 8.711 ( 2.861 -7.034 -2.165) 7.897 8.711 ( 2.861 7.034 -2.165) 7.897 9.580 ( -1.332 -6.375 -9.370) 11.411 9.580 ( -1.332 6.375 -9.370) 11.411 9.782 ( -4.563 -7.369 -2.151) 8.930 9.782 ( -4.563 7.369 -2.151) 8.930 10.473 ( -3.617 -9.883 4.803) 11.568 10.473 ( -3.617 9.883 4.803) 11.568 10.874 ( 2.588 -7.633 -4.755) 9.358 10.874 ( 2.588 7.633 -4.755) 9.358 11.447 ( 5.329 -3.323 5.667) 8.459 11.447 ( 5.329 3.323 5.667) 8.459 11.824 ( 9.988 -5.734 -2.574) 11.801 11.824 ( 9.988 5.734 -2.574) 11.801 12.863 ( -11.814 -9.416 0.470) 15.115 12.863 ( -11.814 9.416 0.470) 15.115 13.600 ( -2.072 -4.291 3.471) 5.895 13.600 ( -2.072 4.291 3.471) 5.895 14.025 ( -0.522 -8.622 -2.144) 8.900 14.025 ( -0.522 8.622 -2.144) 8.900 14.775 ( 1.297 -2.863 3.609) 4.786 14.775 ( 1.297 2.863 3.609) 4.786 15.065 ( 4.816 -5.375 0.735) 7.254 15.065 ( 4.816 5.375 0.735) 7.254 16.613 ( 1.268 -0.954 1.889) 2.467 16.613 ( 1.268 0.954 1.889) 2.467 16.733 ( 2.510 -1.087 -4.184) 4.998 16.733 ( 2.510 1.087 -4.184) 4.998 17.587 ( -5.333 -0.878 0.776) 5.461 17.587 ( -5.333 0.878 0.776) 5.461 18.439 ( -6.154 -5.257 -1.232) 8.187 18.439 ( -6.154 5.257 -1.232) 8.187 18.652 ( -2.347 -7.229 2.722) 8.073 18.652 ( -2.347 7.229 2.722) 8.073 19.171 ( -1.103 -5.540 -3.155) 6.470 19.171 ( -1.103 5.540 -3.155) 6.470 28.422 ( -2.264 -2.749 -1.179) 3.751 28.422 ( -2.264 2.749 -1.179) 3.751 28.562 ( -0.889 -4.020 0.514) 4.149 28.562 ( -0.889 4.020 0.514) 4.149 30.156 ( -6.797 -8.252 6.398) 12.459 30.156 ( -6.797 8.252 6.398) 12.459 30.397 ( 0.256 -5.197 -2.327) 5.700 30.397 ( 0.256 5.197 -2.327) 5.700 30.930 ( -14.677 -1.724 -1.275) 14.833 30.930 ( -14.677 1.724 -1.275) 14.833 31.533 ( 8.604 -3.214 0.752) 9.216 31.533 ( 8.604 3.214 0.752) 9.216 32.877 ( 17.200 -12.013 0.864) 20.998 32.877 ( 17.200 12.013 0.864) 20.998 33.191 ( 5.544 -14.937 -2.245) 16.090 33.191 ( 5.544 14.937 -2.245) 16.090 ======================= Grid point 270 (149/156) ======================= q-point: ( 0.27 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 5.576 -23.332 -4.313) 24.374 2.916 ( 5.576 23.332 -4.313) 24.374 3.670 ( 2.263 -12.129 5.272) 13.417 3.670 ( 2.263 12.129 5.272) 13.417 4.079 ( 9.414 -8.931 5.156) 13.963 4.079 ( 9.414 8.931 5.156) 13.963 4.653 ( -3.006 -7.156 7.198) 10.585 4.653 ( -3.006 7.156 7.198) 10.585 5.056 ( 12.953 -3.592 -4.391) 14.141 5.056 ( 12.953 3.592 -4.391) 14.141 5.134 ( -2.904 -9.066 7.689) 12.237 5.134 ( -2.904 9.066 7.689) 12.237 5.853 ( 12.683 -5.002 8.466) 16.048 5.853 ( 12.683 5.002 8.466) 16.048 6.140 ( 37.905 -14.440 -1.943) 40.609 6.140 ( 37.905 14.440 -1.943) 40.609 6.239 ( 7.228 -12.133 -0.219) 14.125 6.239 ( 7.228 12.133 -0.219) 14.125 6.877 ( -4.543 -4.333 -7.737) 9.964 6.877 ( -4.543 4.333 -7.737) 9.964 7.375 ( 4.793 -2.396 -0.437) 5.377 7.375 ( 4.793 2.396 -0.437) 5.377 7.683 ( 0.050 -6.674 -0.026) 6.674 7.683 ( 0.050 6.674 -0.026) 6.674 8.280 ( -6.541 -4.290 -0.658) 7.850 8.280 ( -6.541 4.290 -0.658) 7.850 8.757 ( 4.518 -4.668 -1.886) 6.765 8.757 ( 4.518 4.668 -1.886) 6.765 9.483 ( -0.470 -5.665 -5.220) 7.717 9.483 ( -0.470 5.665 -5.220) 7.717 9.654 ( -6.204 -9.244 -3.501) 11.670 9.654 ( -6.204 9.244 -3.501) 11.670 10.478 ( -3.110 -10.865 5.950) 12.772 10.478 ( -3.110 10.865 5.950) 12.772 10.825 ( 0.347 -10.648 -8.188) 13.437 10.825 ( 0.347 10.648 -8.188) 13.437 11.588 ( 3.698 -2.479 5.516) 7.088 11.588 ( 3.698 2.479 5.516) 7.088 11.909 ( 0.649 -6.507 -1.496) 6.708 11.909 ( 0.649 6.507 -1.496) 6.708 12.637 ( -13.091 -7.779 -0.297) 15.231 12.637 ( -13.091 7.779 -0.297) 15.231 13.588 ( -2.810 -3.243 2.820) 5.135 13.588 ( -2.810 3.243 2.820) 5.135 14.007 ( 1.004 -4.406 -2.408) 5.120 14.007 ( 1.004 4.406 -2.408) 5.120 14.834 ( 1.920 -2.692 1.477) 3.621 14.834 ( 1.920 2.692 1.477) 3.621 15.183 ( 5.759 -7.415 2.310) 9.669 15.183 ( 5.759 7.415 2.310) 9.669 16.638 ( 0.501 -1.497 0.395) 1.627 16.638 ( 0.501 1.497 0.395) 1.627 16.754 ( 3.800 -1.345 -1.955) 4.480 16.754 ( 3.800 1.345 -1.955) 4.480 17.507 ( -4.890 -3.084 1.712) 6.030 17.507 ( -4.890 3.084 1.712) 6.030 18.291 ( -7.361 -5.292 -2.722) 9.466 18.291 ( -7.361 5.292 -2.722) 9.466 18.668 ( -0.612 -7.503 4.068) 8.557 18.668 ( -0.612 7.503 4.068) 8.557 19.091 ( -2.267 -6.004 -5.252) 8.292 19.091 ( -2.267 6.004 -5.252) 8.292 28.369 ( -1.983 -2.339 -1.592) 3.455 28.369 ( -1.983 2.339 -1.592) 3.455 28.545 ( -1.339 -3.702 0.266) 3.945 28.545 ( -1.339 3.702 0.266) 3.945 30.111 ( -6.242 -8.122 6.532) 12.149 30.111 ( -6.242 8.122 6.532) 12.149 30.349 ( -0.360 -3.725 -5.369) 6.545 30.349 ( -0.360 3.725 -5.369) 6.545 30.725 ( -9.297 -1.336 3.155) 9.908 30.725 ( -9.297 1.336 3.155) 9.908 31.668 ( 3.708 -5.235 2.320) 6.822 31.668 ( 3.708 5.235 2.320) 6.822 33.051 ( 7.534 -11.810 -4.330) 14.663 33.051 ( 7.534 11.810 -4.330) 14.663 33.396 ( 14.532 -12.005 1.300) 18.894 33.396 ( 14.532 12.005 1.300) 18.894 ======================= Grid point 272 (150/156) ======================= q-point: ( 0.36 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 8.504 -17.826 3.956) 20.143 3.037 ( 8.504 17.826 3.956) 20.143 3.734 ( 2.491 -10.708 2.510) 11.276 3.734 ( 2.491 10.708 2.510) 11.276 4.297 ( 3.129 -6.335 7.858) 10.567 4.297 ( 3.129 6.335 7.858) 10.567 4.668 ( -1.556 -6.492 3.031) 7.331 4.668 ( -1.556 6.492 3.031) 7.331 4.848 ( -14.251 -4.775 3.727) 15.486 4.848 ( -14.251 4.775 3.727) 15.486 5.380 ( 7.550 -5.146 3.547) 9.801 5.380 ( 7.550 5.146 3.547) 9.801 5.995 ( 0.562 -3.966 4.347) 5.911 5.995 ( 0.562 3.966 4.347) 5.911 6.369 ( 4.219 -10.912 -1.755) 11.830 6.369 ( 4.219 10.912 -1.755) 11.830 6.632 ( -4.411 -2.838 -8.744) 10.197 6.632 ( -4.411 2.838 -8.744) 10.197 6.942 ( 39.503 -7.155 -1.066) 40.160 6.942 ( 39.503 7.155 -1.066) 40.160 7.495 ( 8.455 -2.759 -7.474) 11.617 7.495 ( 8.455 2.759 -7.474) 11.617 7.751 ( 6.698 -5.609 6.499) 10.888 7.751 ( 6.698 5.609 6.499) 10.888 8.253 ( 3.374 -6.908 1.775) 7.890 8.253 ( 3.374 6.908 1.775) 7.890 8.821 ( 4.916 -6.097 -2.451) 8.207 8.821 ( 4.916 6.097 -2.451) 8.207 9.446 ( 1.397 -4.963 -6.301) 8.141 9.446 ( 1.397 4.963 -6.301) 8.141 9.485 ( -10.696 -9.192 1.994) 14.244 9.485 ( -10.696 9.192 1.994) 14.244 10.471 ( -4.810 -11.040 6.023) 13.465 10.471 ( -4.810 11.040 6.023) 13.465 10.742 ( 1.224 -12.960 -8.538) 15.568 10.742 ( 1.224 12.960 -8.538) 15.568 11.678 ( 0.541 -4.942 0.799) 5.035 11.678 ( 0.541 4.942 0.799) 5.035 11.830 ( -6.358 -3.605 1.641) 7.491 11.830 ( -6.358 3.605 1.641) 7.491 12.411 ( -10.447 -4.820 -1.726) 11.634 12.411 ( -10.447 4.820 -1.726) 11.634 13.571 ( -1.974 -4.134 2.440) 5.190 13.571 ( -1.974 4.134 2.440) 5.190 13.996 ( 0.703 -2.580 -3.027) 4.039 13.996 ( 0.703 2.580 -3.027) 4.039 14.878 ( 2.365 -1.903 0.035) 3.036 14.878 ( 2.365 1.903 0.035) 3.036 15.268 ( 1.151 -6.571 0.278) 6.677 15.268 ( 1.151 6.571 0.278) 6.677 16.685 ( 4.138 -1.969 1.966) 4.986 16.685 ( 4.138 1.969 1.966) 4.986 16.811 ( 2.989 -0.659 0.531) 3.106 16.811 ( 2.989 0.659 0.531) 3.106 17.456 ( -2.811 -4.769 1.721) 5.798 17.456 ( -2.811 4.769 1.721) 5.798 18.133 ( -6.298 -3.641 -3.453) 8.053 18.133 ( -6.298 3.641 -3.453) 8.053 18.706 ( -0.488 -6.766 4.812) 8.317 18.706 ( -0.488 6.766 4.812) 8.317 18.996 ( -1.427 -5.793 -5.904) 8.393 18.996 ( -1.427 5.793 -5.904) 8.393 28.320 ( -1.370 -1.272 -1.685) 2.517 28.320 ( -1.370 1.272 -1.685) 2.517 28.524 ( -1.155 -2.525 0.055) 2.778 28.524 ( -1.155 2.525 0.055) 2.778 30.062 ( -5.902 -6.399 4.485) 9.793 30.062 ( -5.902 6.399 4.485) 9.793 30.316 ( 2.938 -1.723 -3.701) 5.030 30.316 ( 2.938 1.723 -3.701) 5.030 30.633 ( -6.340 -1.023 4.213) 7.680 30.633 ( -6.340 1.023 4.213) 7.680 31.713 ( -0.749 -5.372 2.001) 5.781 31.713 ( -0.749 5.372 2.001) 5.781 33.137 ( 7.392 -6.231 -4.521) 10.673 33.137 ( 7.392 6.231 -4.521) 10.673 33.630 ( 9.281 -5.742 1.263) 10.986 33.630 ( 9.281 5.742 1.263) 10.986 ======================= Grid point 274 (151/156) ======================= q-point: ( 0.45 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 6.970 -9.094 10.480) 15.527 3.275 ( 6.970 9.094 10.480) 15.527 3.835 ( 4.730 -6.652 4.706) 9.422 3.835 ( 4.730 6.652 4.706) 9.422 4.206 ( -13.799 -4.058 -5.554) 15.419 4.206 ( -13.799 4.058 -5.554) 15.419 4.579 ( -2.303 -7.511 0.563) 7.876 4.579 ( -2.303 7.511 0.563) 7.876 4.914 ( 6.050 -6.565 7.206) 11.473 4.914 ( 6.050 6.565 7.206) 11.473 5.491 ( -0.193 -5.411 8.642) 10.198 5.491 ( -0.193 5.411 8.642) 10.198 6.046 ( 3.489 -3.225 -1.999) 5.154 6.046 ( 3.489 3.225 -1.998) 5.154 6.256 ( -8.753 -7.598 -5.620) 12.881 6.256 ( -8.753 7.598 -5.620) 12.881 6.519 ( 1.988 -7.541 -6.220) 9.975 6.519 ( 1.988 7.541 -6.220) 9.975 7.419 ( 5.510 -2.806 -1.660) 6.403 7.419 ( 5.510 2.806 -1.660) 6.403 7.529 ( 7.387 -5.129 -0.274) 8.997 7.529 ( 7.387 5.129 -0.274) 8.997 8.065 ( 19.163 -6.839 3.444) 20.637 8.065 ( 19.163 6.839 3.444) 20.637 8.354 ( 0.763 -5.710 2.982) 6.487 8.354 ( 0.763 5.710 2.982) 6.487 8.856 ( 1.362 -7.120 -4.055) 8.306 8.856 ( 1.362 7.120 -4.055) 8.306 9.265 ( -12.080 -8.325 3.094) 14.994 9.265 ( -12.080 8.325 3.094) 14.994 9.452 ( 3.276 -3.472 -4.354) 6.461 9.452 ( 3.276 3.472 -4.354) 6.461 10.457 ( -2.820 -9.967 5.482) 11.720 10.457 ( -2.820 9.967 5.482) 11.720 10.698 ( 3.598 -11.173 -8.307) 14.380 10.698 ( 3.598 11.173 -8.307) 14.380 11.581 ( -6.703 -4.798 -0.774) 8.279 11.581 ( -6.703 4.798 -0.774) 8.279 11.831 ( 1.637 -0.952 2.381) 3.043 11.831 ( 1.637 0.952 2.381) 3.043 12.250 ( -4.874 -0.881 -1.781) 5.264 12.250 ( -4.874 0.881 -1.781) 5.264 13.571 ( -0.857 -3.568 2.112) 4.234 13.571 ( -0.857 3.568 2.112) 4.234 13.967 ( -0.420 -1.868 -2.560) 3.197 13.967 ( -0.420 1.868 -2.560) 3.197 14.917 ( 1.468 -0.720 0.248) 1.654 14.917 ( 1.468 0.720 0.248) 1.654 15.241 ( -2.218 -2.563 -0.998) 3.534 15.241 ( -2.218 2.563 -0.998) 3.534 16.788 ( 2.114 -1.915 2.251) 3.633 16.788 ( 2.114 1.915 2.251) 3.633 16.873 ( 3.515 -1.214 1.447) 3.990 16.873 ( 3.515 1.214 1.447) 3.990 17.444 ( 0.254 -4.437 0.372) 4.460 17.444 ( 0.254 4.437 0.372) 4.460 18.006 ( -3.716 -1.613 -2.631) 4.830 18.006 ( -3.716 1.613 -2.631) 4.830 18.749 ( -1.473 -5.515 6.108) 8.360 18.749 ( -1.473 5.515 6.108) 8.360 18.920 ( 0.519 -6.112 -6.475) 8.919 18.920 ( 0.519 6.112 -6.475) 8.919 28.287 ( -0.524 -0.235 -1.194) 1.325 28.287 ( -0.524 0.235 -1.194) 1.325 28.509 ( -0.448 -1.094 -0.022) 1.183 28.509 ( -0.448 1.094 -0.022) 1.183 30.012 ( -3.585 -3.971 2.859) 6.066 30.012 ( -3.585 3.971 2.859) 6.066 30.359 ( 3.718 -0.788 -1.530) 4.097 30.359 ( 3.718 0.788 -1.530) 4.097 30.579 ( -3.069 -0.614 2.318) 3.895 30.579 ( -3.069 0.614 2.318) 3.895 31.710 ( -0.929 -2.890 1.238) 3.278 31.710 ( -0.929 2.890 1.238) 3.278 33.197 ( 2.945 -2.414 -2.620) 4.622 33.197 ( 2.945 2.414 -2.620) 4.622 33.748 ( 3.134 -2.379 0.323) 3.947 33.748 ( 3.134 2.379 0.323) 3.947 ======================= Grid point 276 (152/156) ======================= q-point: (-0.45 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -8.992 -8.313 3.606) 12.765 3.359 ( -8.992 8.313 3.606) 12.765 3.832 ( -15.610 -6.578 3.102) 17.221 3.832 ( -15.610 6.578 3.102) 17.221 4.109 ( 13.800 -3.820 3.972) 14.859 4.109 ( 13.800 3.820 3.972) 14.859 4.633 ( 9.931 -7.753 -4.512) 13.383 4.633 ( 9.931 7.753 -4.512) 13.383 4.984 ( -3.259 -1.094 -0.717) 3.511 4.984 ( -3.259 1.094 -0.717) 3.511 5.603 ( 1.623 -4.661 4.787) 6.875 5.603 ( 1.623 4.661 4.787) 6.875 5.987 ( -3.043 -3.849 -3.575) 6.071 5.987 ( -3.043 3.849 -3.575) 6.071 6.195 ( 5.118 -0.939 1.412) 5.392 6.195 ( 5.118 0.939 1.412) 5.392 6.503 ( 1.740 -1.652 -4.328) 4.948 6.503 ( 1.740 1.652 -4.328) 4.948 7.343 ( -12.658 -3.135 4.708) 13.864 7.343 ( -12.658 3.135 4.708) 13.864 7.557 ( -6.201 -3.592 -2.372) 7.548 7.557 ( -6.201 3.592 -2.372) 7.548 8.147 ( -11.607 -5.818 -3.654) 13.488 8.147 ( -11.607 5.818 -3.654) 13.488 8.390 ( -0.002 -5.400 -0.637) 5.437 8.390 ( -0.002 5.400 -0.637) 5.437 8.791 ( -2.974 -2.837 2.013) 4.577 8.791 ( -2.974 2.837 2.013) 4.577 9.182 ( -3.994 -3.044 7.761) 9.244 9.182 ( -3.994 3.044 7.761) 9.244 9.518 ( 10.723 -4.865 -7.319) 13.865 9.518 ( 10.723 4.865 -7.319) 13.865 10.488 ( 0.076 -7.913 3.933) 8.837 10.488 ( 0.076 7.913 3.933) 8.837 10.682 ( 4.587 -8.284 -8.549) 12.758 10.682 ( 4.587 8.284 -8.549) 12.758 11.528 ( -0.535 -3.606 4.494) 5.786 11.528 ( -0.535 3.606 4.494) 5.786 11.899 ( 6.239 -2.760 -4.164) 7.992 11.899 ( 6.239 2.760 -4.164) 7.992 12.214 ( 1.505 -2.518 1.754) 3.418 12.214 ( 1.505 2.518 1.754) 3.418 13.581 ( -0.071 -1.394 1.211) 1.848 13.581 ( -0.071 1.394 1.211) 1.848 13.939 ( -0.873 -1.137 0.031) 1.434 13.939 ( -0.873 1.137 0.031) 1.434 14.915 ( -2.333 -2.334 0.522) 3.341 14.915 ( -2.333 2.334 0.522) 3.341 15.219 ( 0.250 -1.628 1.086) 1.973 15.219 ( 0.250 1.628 1.086) 1.973 16.775 ( -5.201 -0.795 2.125) 5.674 16.775 ( -5.201 0.795 2.125) 5.674 16.937 ( 2.923 -1.919 -3.190) 4.733 16.937 ( 2.923 1.919 -3.190) 4.733 17.467 ( 3.130 -2.071 -2.158) 4.329 17.467 ( 3.130 2.071 -2.158) 4.329 17.970 ( 1.134 -0.637 1.014) 1.649 17.970 ( 1.134 0.637 1.014) 1.649 18.771 ( -3.920 -4.298 6.280) 8.560 18.771 ( -3.920 4.298 6.280) 8.560 18.888 ( 3.591 -7.047 -5.673) 9.734 18.888 ( 3.591 7.047 -5.673) 9.734 28.278 ( 0.418 -0.721 -0.278) 0.878 28.278 ( 0.418 0.721 -0.278) 0.878 28.509 ( 0.473 -0.475 -0.021) 0.671 28.509 ( 0.473 0.475 -0.021) 0.671 30.006 ( -0.666 -2.973 3.297) 4.489 30.006 ( -0.666 2.973 3.297) 4.489 30.366 ( -1.064 -3.613 -1.870) 4.205 30.366 ( -1.064 3.613 -1.870) 4.205 30.607 ( 5.032 -1.106 -0.591) 5.186 30.607 ( 5.032 1.106 -0.591) 5.186 31.717 ( 0.783 -1.169 0.500) 1.494 31.717 ( 0.783 1.169 0.500) 1.494 33.171 ( -4.203 -2.225 -0.061) 4.756 33.171 ( -4.203 2.225 -0.061) 4.756 33.756 ( -2.157 -5.847 -0.461) 6.249 33.756 ( -2.157 5.847 -0.461) 6.249 ======================= Grid point 278 (153/156) ======================= q-point: (-0.36 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -15.020 -9.671 -3.209) 18.150 3.107 ( -15.020 9.671 -3.209) 18.150 3.650 ( -12.503 -0.344 9.438) 15.669 3.650 ( -12.503 0.344 9.438) 15.669 4.380 ( 8.256 -1.848 0.897) 8.507 4.380 ( 8.256 1.848 0.897) 8.507 4.788 ( 4.949 -3.494 -9.584) 11.338 4.788 ( 4.949 3.494 -9.584) 11.338 4.892 ( 6.090 -5.980 0.457) 8.547 4.892 ( 6.090 5.980 0.457) 8.547 5.523 ( -5.365 -11.890 -10.150) 16.528 5.523 ( -5.365 11.890 -10.150) 16.528 6.006 ( 1.673 -1.759 2.946) 3.817 6.006 ( 1.673 1.759 2.946) 3.817 6.363 ( 3.926 -5.900 2.906) 7.660 6.363 ( 3.926 5.900 2.906) 7.660 6.464 ( -1.857 -5.926 2.151) 6.572 6.464 ( -1.857 5.926 2.151) 6.572 6.936 ( -35.951 -8.449 2.171) 36.994 6.936 ( -35.951 8.449 2.171) 36.994 7.367 ( -12.409 -2.793 3.260) 13.131 7.367 ( -12.409 2.793 3.260) 13.131 7.886 ( -8.592 -2.210 -6.052) 10.740 7.886 ( -8.592 2.210 -6.052) 10.740 8.295 ( -2.913 -7.228 -2.167) 8.089 8.295 ( -2.913 7.228 -2.167) 8.089 8.777 ( -3.143 -6.046 1.611) 7.002 8.777 ( -3.143 6.046 1.611) 7.002 9.250 ( -0.376 -2.011 9.359) 9.579 9.250 ( -0.376 2.011 9.359) 9.579 9.618 ( 8.279 -6.558 -7.300) 12.839 9.618 ( 8.279 6.558 -7.300) 12.839 10.544 ( 1.286 -6.835 4.443) 8.253 10.544 ( 1.286 6.835 4.443) 8.253 10.671 ( 3.859 -10.069 -7.655) 13.224 10.671 ( 3.859 10.069 -7.655) 13.224 11.630 ( 3.621 -8.756 4.959) 10.695 11.630 ( 3.621 8.756 4.959) 10.695 11.926 ( 4.138 -3.851 -6.911) 8.928 11.926 ( 4.138 3.851 -6.911) 8.928 12.357 ( 10.162 -5.664 3.721) 12.214 12.357 ( 10.162 5.664 3.721) 12.214 13.596 ( 0.995 -1.811 0.135) 2.071 13.596 ( 0.995 1.811 0.135) 2.071 13.938 ( -0.996 -1.656 2.626) 3.260 13.938 ( -0.996 1.656 2.626) 3.260 14.867 ( -3.232 -3.556 1.095) 4.929 14.867 ( -3.232 3.556 1.095) 4.929 15.246 ( -0.672 -5.428 2.203) 5.897 15.246 ( -0.672 5.428 2.203) 5.897 16.680 ( -6.584 -1.127 1.516) 6.850 16.680 ( -6.584 1.127 1.516) 6.850 16.898 ( -0.616 -1.784 -6.720) 6.980 16.898 ( -0.616 1.784 -6.720) 6.980 17.507 ( 5.104 -1.573 -3.985) 6.664 17.507 ( 5.104 1.573 -3.985) 6.664 18.061 ( 5.403 -3.010 4.013) 7.372 18.061 ( 5.403 3.010 4.013) 7.372 18.751 ( -2.884 -5.295 2.237) 6.431 18.751 ( -2.884 5.295 2.237) 6.431 18.921 ( 3.199 -6.377 -0.322) 7.142 18.921 ( 3.199 6.377 -0.322) 7.142 28.297 ( 1.403 -1.572 0.674) 2.212 28.297 ( 1.403 1.572 0.674) 2.212 28.524 ( 1.222 -1.814 -0.016) 2.187 28.524 ( 1.222 1.814 -0.016) 2.187 30.054 ( 0.808 -4.142 4.868) 6.443 30.054 ( 0.808 4.142 4.868) 6.443 30.322 ( 0.638 -6.314 -3.638) 7.315 30.322 ( 0.638 6.314 -3.638) 7.315 30.707 ( 7.748 -1.159 -3.382) 8.533 30.707 ( 7.748 1.159 -3.382) 8.533 31.739 ( 1.157 -4.619 -0.579) 4.797 31.739 ( 1.157 4.619 -0.579) 4.797 33.063 ( -8.779 -5.734 2.835) 10.862 33.063 ( -8.779 5.734 2.835) 10.862 33.656 ( -8.261 -10.123 -1.294) 13.130 33.656 ( -8.261 10.123 -1.294) 13.130 ======================= Grid point 280 (154/156) ======================= q-point: (-0.27 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -12.494 -19.045 1.829) 22.851 2.846 ( -12.494 19.045 1.829) 22.851 3.571 ( -9.865 -12.487 12.120) 20.003 3.571 ( -9.865 12.487 12.120) 20.003 4.327 ( -5.134 -4.406 -14.384) 15.896 4.327 ( -5.134 4.406 -14.384) 15.896 4.707 ( -2.342 -6.385 0.249) 6.805 4.707 ( -2.342 6.385 0.249) 6.805 5.035 ( -9.417 -8.891 -2.388) 13.169 5.035 ( -9.417 8.891 -2.388) 13.169 5.311 ( 3.592 -7.090 -9.445) 12.344 5.311 ( 3.592 7.090 -9.445) 12.344 5.943 ( -14.699 -5.079 -2.428) 15.741 5.943 ( -14.699 5.079 -2.428) 15.741 6.060 ( -30.794 -17.103 3.127) 35.363 6.060 ( -30.794 17.103 3.127) 35.363 6.383 ( -6.485 -5.068 -10.490) 13.333 6.383 ( -6.485 5.068 -10.490) 13.333 6.692 ( 4.043 -5.091 11.818) 13.488 6.692 ( 4.043 5.091 11.818) 13.488 7.263 ( -2.688 -7.121 8.136) 11.141 7.263 ( -2.688 7.121 8.136) 11.141 7.755 ( -0.779 -4.589 -5.526) 7.225 7.755 ( -0.779 4.589 -5.526) 7.225 8.298 ( 5.450 -5.583 -1.995) 8.054 8.298 ( 5.450 5.583 -1.995) 8.054 8.721 ( -3.913 -4.981 0.924) 6.402 8.721 ( -3.913 4.981 0.924) 6.402 9.331 ( -1.775 -3.686 9.372) 10.226 9.331 ( -1.775 3.686 9.372) 10.226 9.667 ( 4.866 -7.458 -3.878) 9.713 9.667 ( 4.866 7.458 -3.878) 9.713 10.602 ( 1.253 -5.777 -1.429) 6.081 10.602 ( 1.253 5.777 -1.429) 6.081 10.671 ( 1.508 -7.143 1.714) 7.499 10.671 ( 1.508 7.143 1.714) 7.499 11.666 ( -2.389 -6.806 -1.171) 7.308 11.666 ( -2.389 6.806 -1.171) 7.308 11.936 ( 2.878 -7.379 -4.835) 9.279 11.936 ( 2.878 7.379 -4.835) 9.279 12.603 ( 12.383 -7.636 3.051) 14.865 12.603 ( 12.383 7.636 3.051) 14.865 13.622 ( 2.065 -2.842 -0.510) 3.549 13.622 ( 2.065 2.842 -0.510) 3.549 13.953 ( -0.703 -1.570 2.992) 3.452 13.953 ( -0.703 1.570 2.992) 3.452 14.834 ( -2.183 -3.396 1.333) 4.251 14.834 ( -2.183 3.396 1.333) 4.251 15.207 ( -5.110 -8.195 -0.000) 9.658 15.207 ( -5.110 8.195 -0.000) 9.658 16.611 ( -3.038 -0.774 2.543) 4.037 16.611 ( -3.038 0.774 2.543) 4.037 16.802 ( -1.867 -0.692 -6.105) 6.422 16.802 ( -1.867 0.692 -6.105) 6.422 17.563 ( 6.120 -2.027 -4.394) 7.802 17.563 ( 6.120 2.027 -4.394) 7.802 18.224 ( 7.309 -5.001 4.240) 9.819 18.224 ( 7.309 5.001 4.240) 9.819 18.724 ( -1.069 -6.889 -0.773) 7.014 18.724 ( -1.069 6.889 -0.773) 7.014 18.991 ( 2.416 -5.559 4.097) 7.316 18.991 ( 2.416 5.559 4.097) 7.316 28.340 ( 2.182 -2.537 1.265) 3.577 28.340 ( 2.182 2.537 1.265) 3.577 28.549 ( 1.510 -3.136 -0.115) 3.483 28.549 ( 1.510 3.136 -0.115) 3.483 30.120 ( -0.506 -5.651 6.259) 8.447 30.120 ( -0.506 5.651 6.259) 8.447 30.340 ( 6.985 -8.345 -5.247) 12.082 30.340 ( 6.985 8.345 -5.247) 12.082 30.805 ( 8.510 -2.229 -4.784) 10.014 30.805 ( 8.510 2.229 -4.784) 10.014 31.716 ( -2.944 -5.586 -2.304) 6.721 31.716 ( -2.944 5.586 -2.304) 6.721 32.953 ( -7.607 -10.272 5.283) 13.831 32.953 ( -7.607 10.272 5.283) 13.831 33.429 ( -14.859 -12.567 -1.939) 19.557 33.429 ( -14.859 12.567 -1.939) 19.557 ======================= Grid point 282 (155/156) ======================= q-point: (-0.18 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -11.478 -25.580 9.567) 29.625 2.701 ( -11.478 25.580 9.567) 29.625 3.475 ( -18.784 -16.177 8.246) 26.125 3.475 ( -18.784 16.177 8.246) 26.125 3.982 ( -14.847 -2.855 -11.865) 19.219 3.982 ( -14.847 2.855 -11.865) 19.219 4.469 ( -25.960 -9.888 0.427) 27.783 4.469 ( -25.960 9.888 0.427) 27.783 4.756 ( -3.281 -7.701 -0.928) 8.422 4.756 ( -3.281 7.701 -0.928) 8.422 5.338 ( -10.795 -10.723 -4.089) 15.756 5.338 ( -10.795 10.723 -4.089) 15.756 5.515 ( -10.296 -8.084 -9.466) 16.155 5.515 ( -10.296 8.084 -9.466) 16.155 5.682 ( -9.426 -3.577 -0.292) 10.086 5.682 ( -9.426 3.577 -0.292) 10.086 6.306 ( 3.110 -11.259 -7.441) 13.849 6.306 ( 3.110 11.259 -7.441) 13.849 6.886 ( 5.084 -4.779 7.919) 10.555 6.886 ( 5.084 4.779 7.919) 10.555 7.421 ( 9.666 -7.812 5.159) 13.456 7.421 ( 9.666 7.812 5.159) 13.456 7.675 ( -1.924 -6.306 -5.833) 8.803 7.675 ( -1.924 6.306 -5.833) 8.803 8.429 ( 8.901 -8.483 0.845) 12.325 8.429 ( 8.901 8.483 0.845) 12.325 8.673 ( -2.543 -2.028 1.286) 3.498 8.673 ( -2.543 2.028 1.286) 3.498 9.404 ( -0.432 -6.366 8.853) 10.913 9.404 ( -0.432 6.366 8.853) 10.913 9.734 ( 3.952 -7.305 2.064) 8.558 9.734 ( 3.952 7.305 2.064) 8.558 10.564 ( -0.918 -9.342 -2.941) 9.837 10.564 ( -0.918 9.342 -2.941) 9.837 10.755 ( 1.723 -5.859 5.640) 8.312 10.755 ( 1.723 5.859 5.640) 8.312 11.545 ( -8.506 -3.792 -2.816) 9.729 11.545 ( -8.506 3.792 -2.816) 9.729 11.870 ( -2.536 -6.137 -8.043) 10.429 11.870 ( -2.536 6.137 -8.042) 10.429 12.840 ( 10.203 -7.855 2.704) 13.157 12.840 ( 10.203 7.855 2.704) 13.157 13.647 ( 1.312 -4.476 -1.040) 4.779 13.647 ( 1.312 4.476 -1.040) 4.779 13.982 ( 1.003 -2.492 2.116) 3.419 13.982 ( 1.003 2.492 2.116) 3.419 14.803 ( -2.781 -2.784 0.720) 4.000 14.803 ( -2.781 2.784 0.720) 4.000 15.096 ( -4.671 -5.911 -2.184) 7.844 15.096 ( -4.671 5.911 -2.184) 7.844 16.614 ( -1.090 -0.879 3.056) 3.362 16.614 ( -1.090 0.879 3.056) 3.362 16.717 ( -1.243 -1.404 -3.888) 4.317 16.717 ( -1.243 1.404 -3.888) 4.317 17.628 ( 5.853 -2.004 -3.627) 7.172 17.628 ( 5.853 2.004 -3.627) 7.172 18.395 ( 6.885 -5.477 3.142) 9.342 18.395 ( 6.885 5.477 3.142) 9.342 18.699 ( 0.308 -7.633 -1.935) 7.880 18.699 ( 0.308 7.633 -1.935) 7.880 19.086 ( 1.922 -5.373 5.558) 7.966 19.086 ( 1.922 5.373 5.558) 7.966 28.396 ( 2.393 -3.239 1.380) 4.257 28.396 ( 2.393 3.239 1.380) 4.257 28.571 ( 1.190 -3.928 -0.418) 4.125 28.571 ( 1.190 3.928 -0.418) 4.125 30.171 ( -0.799 -5.860 5.849) 8.318 30.171 ( -0.799 5.860 5.849) 8.318 30.430 ( 8.694 -8.256 -7.025) 13.896 30.430 ( 8.694 8.256 -7.025) 13.896 30.943 ( 12.567 -2.310 -2.228) 12.971 30.943 ( 12.567 2.310 -2.228) 12.971 31.573 ( -9.153 -4.600 -3.234) 10.743 31.573 ( -9.153 4.600 -3.234) 10.743 32.869 ( -11.032 -15.660 2.108) 19.271 32.869 ( -11.032 15.660 2.108) 19.271 33.148 ( -11.600 -16.453 1.816) 20.213 33.148 ( -11.600 16.453 1.816) 20.213 ======================= Grid point 284 (156/156) ======================= q-point: (-0.09 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -26.521 -23.660 10.834) 37.156 2.523 ( -26.521 23.660 10.834) 37.156 3.065 ( -16.483 -10.188 0.140) 19.378 3.065 ( -16.483 10.188 0.140) 19.378 3.738 ( -9.463 -13.339 5.487) 17.251 3.738 ( -9.463 13.339 5.487) 17.251 4.125 ( -10.639 -18.847 -7.589) 22.934 4.125 ( -10.639 18.847 -7.589) 22.934 4.709 ( -3.319 -9.098 1.087) 9.745 4.709 ( -3.319 9.098 1.087) 9.745 4.986 ( -11.088 -12.235 -2.493) 16.699 4.986 ( -11.088 12.235 -2.493) 16.699 5.407 ( -1.149 -1.468 -5.740) 6.035 5.407 ( -1.149 1.468 -5.740) 6.035 5.629 ( 2.307 -4.616 -3.617) 6.302 5.629 ( 2.307 4.616 -3.617) 6.302 6.288 ( 1.543 -12.596 -3.247) 13.099 6.288 ( 1.543 12.596 -3.247) 13.099 6.994 ( 0.371 -1.967 1.244) 2.357 6.994 ( 0.371 1.967 1.244) 2.357 7.569 ( 1.659 -3.865 -8.510) 9.492 7.569 ( 1.659 3.865 -8.510) 9.492 7.666 ( 7.514 -7.183 6.623) 12.326 7.666 ( 7.514 7.183 6.623) 12.326 8.581 ( 4.530 -10.689 2.565) 11.890 8.581 ( 4.530 10.689 2.565) 11.890 8.663 ( 0.820 -6.073 -0.262) 6.134 8.663 ( 0.820 6.073 -0.262) 6.134 9.519 ( 1.902 -8.741 10.467) 13.769 9.519 ( 1.902 8.741 10.467) 13.769 9.840 ( 4.309 -5.265 2.287) 7.177 9.840 ( 4.309 5.265 2.287) 7.177 10.548 ( 0.606 -4.522 1.131) 4.701 10.548 ( 0.606 4.522 1.131) 4.701 10.816 ( 0.284 -4.265 1.180) 4.434 10.816 ( 0.284 4.265 1.180) 4.434 11.324 ( -12.755 -3.217 0.079) 13.155 11.324 ( -12.755 3.217 0.079) 13.155 11.720 ( -1.445 -1.712 -10.620) 10.853 11.720 ( -1.445 1.712 -10.620) 10.853 13.014 ( 5.844 -5.842 2.667) 8.683 13.014 ( 5.844 5.842 2.667) 8.683 13.635 ( -1.199 -4.483 -1.460) 4.865 13.635 ( -1.199 4.483 -1.460) 4.865 14.035 ( 2.645 -3.929 1.279) 4.906 14.035 ( 2.645 3.929 1.279) 4.906 14.758 ( -2.863 -3.676 1.102) 4.788 14.758 ( -2.863 3.676 1.102) 4.788 15.013 ( -1.670 -3.457 -2.961) 4.848 15.013 ( -1.670 3.457 -2.961) 4.848 16.600 ( -2.111 -0.879 0.045) 2.287 16.600 ( -2.111 0.879 0.045) 2.287 16.693 ( 0.777 -1.435 -0.390) 1.678 16.693 ( 0.777 1.435 -0.390) 1.678 17.686 ( 3.835 -1.960 -2.349) 4.906 17.686 ( 3.835 1.960 -2.349) 4.906 18.506 ( 2.338 -2.928 0.988) 3.876 18.506 ( 2.338 2.928 0.988) 3.876 18.716 ( 3.094 -6.843 -0.029) 7.510 18.716 ( 3.094 6.843 -0.029) 7.510 19.153 ( -0.200 -3.984 3.310) 5.183 19.153 ( -0.200 3.984 3.310) 5.183 28.450 ( 1.915 -3.216 1.329) 3.972 28.450 ( 1.915 3.216 1.329) 3.972 28.579 ( 0.329 -3.711 -0.845) 3.820 28.579 ( 0.329 3.711 -0.845) 3.820 30.220 ( -1.200 -6.241 6.379) 9.005 30.220 ( -1.200 6.241 6.379) 9.005 30.457 ( 4.505 -8.666 -9.800) 13.836 30.457 ( 4.505 8.666 -9.800) 13.836 31.197 ( 12.071 -1.704 -0.954) 12.228 31.197 ( 12.071 1.704 -0.954) 12.228 31.397 ( -2.872 -2.554 0.820) 3.930 31.397 ( -2.872 2.554 0.820) 3.930 32.540 ( -20.001 -4.891 -3.381) 20.866 32.540 ( -20.001 4.891 -3.381) 20.866 33.125 ( 0.049 -7.440 5.579) 9.300 33.125 ( 0.049 7.440 5.579) 9.300 =================== 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 3/36036 10.0 2382.330 1185.721 2484.930 0.000 508.039 0.000 3/36036 20.0 754.185 734.637 750.411 0.000 8.530 0.000 3/36036 30.0 336.881 287.860 299.389 0.000 -19.473 0.000 3/36036 40.0 185.288 142.236 153.498 0.000 -14.728 0.000 3/36036 50.0 118.168 83.606 93.013 0.000 -10.136 0.000 3/36036 60.0 83.070 55.335 62.870 0.000 -7.141 0.000 3/36036 70.0 62.409 39.792 45.859 0.000 -5.249 0.000 3/36036 80.0 49.164 30.370 35.346 0.000 -4.024 0.000 3/36036 90.0 40.122 24.223 28.388 0.000 -3.200 0.000 3/36036 100.0 33.647 19.978 23.530 0.000 -2.625 0.000 3/36036 110.0 28.836 16.912 19.993 0.000 -2.209 0.000 3/36036 120.0 25.150 14.617 17.329 0.000 -1.899 0.000 3/36036 130.0 22.256 12.848 15.264 0.000 -1.661 0.000 3/36036 140.0 19.935 11.450 13.625 0.000 -1.475 0.000 3/36036 150.0 18.039 10.322 12.298 0.000 -1.325 0.000 3/36036 160.0 16.467 9.396 11.204 0.000 -1.203 0.000 3/36036 170.0 15.144 8.623 10.290 0.000 -1.102 0.000 3/36036 180.0 14.019 7.969 9.515 0.000 -1.017 0.000 3/36036 190.0 13.051 7.410 8.850 0.000 -0.944 0.000 3/36036 200.0 12.210 6.927 8.274 0.000 -0.882 0.000 3/36036 210.0 11.474 6.505 7.771 0.000 -0.827 0.000 3/36036 220.0 10.824 6.134 7.327 0.000 -0.780 0.000 3/36036 230.0 10.246 5.805 6.933 0.000 -0.737 0.000 3/36036 240.0 9.730 5.512 6.581 0.000 -0.700 0.000 3/36036 250.0 9.266 5.249 6.264 0.000 -0.666 0.000 3/36036 260.0 8.846 5.011 5.978 0.000 -0.635 0.000 3/36036 270.0 8.465 4.796 5.718 0.000 -0.608 0.000 3/36036 280.0 8.118 4.600 5.481 0.000 -0.582 0.000 3/36036 290.0 7.799 4.421 5.264 0.000 -0.559 0.000 3/36036 300.0 7.507 4.256 5.064 0.000 -0.538 0.000 3/36036 310.0 7.236 4.104 4.880 0.000 -0.518 0.000 3/36036 320.0 6.987 3.964 4.709 0.000 -0.500 0.000 3/36036 330.0 6.755 3.833 4.550 0.000 -0.484 0.000 3/36036 340.0 6.538 3.712 4.402 0.000 -0.468 0.000 3/36036 350.0 6.337 3.599 4.264 0.000 -0.453 0.000 3/36036 360.0 6.148 3.493 4.135 0.000 -0.440 0.000 3/36036 370.0 5.971 3.394 4.014 0.000 -0.427 0.000 3/36036 380.0 5.805 3.301 3.900 0.000 -0.415 0.000 3/36036 390.0 5.648 3.213 3.793 0.000 -0.403 0.000 3/36036 400.0 5.500 3.130 3.691 0.000 -0.393 0.000 3/36036 410.0 5.360 3.052 3.595 0.000 -0.382 0.000 3/36036 420.0 5.228 2.977 3.505 0.000 -0.373 0.000 3/36036 430.0 5.102 2.907 3.418 0.000 -0.364 0.000 3/36036 440.0 4.982 2.840 3.337 0.000 -0.355 0.000 3/36036 450.0 4.869 2.776 3.259 0.000 -0.347 0.000 3/36036 460.0 4.760 2.716 3.185 0.000 -0.339 0.000 3/36036 470.0 4.657 2.658 3.114 0.000 -0.332 0.000 3/36036 480.0 4.558 2.602 3.046 0.000 -0.324 0.000 3/36036 490.0 4.464 2.550 2.982 0.000 -0.318 0.000 3/36036 500.0 4.374 2.499 2.920 0.000 -0.311 0.000 3/36036 510.0 4.287 2.450 2.861 0.000 -0.305 0.000 3/36036 520.0 4.204 2.404 2.804 0.000 -0.299 0.000 3/36036 530.0 4.124 2.359 2.750 0.000 -0.293 0.000 3/36036 540.0 4.047 2.316 2.697 0.000 -0.287 0.000 3/36036 550.0 3.973 2.274 2.647 0.000 -0.282 0.000 3/36036 560.0 3.902 2.234 2.598 0.000 -0.277 0.000 3/36036 570.0 3.834 2.196 2.552 0.000 -0.272 0.000 3/36036 580.0 3.768 2.158 2.507 0.000 -0.267 0.000 3/36036 590.0 3.704 2.123 2.463 0.000 -0.263 0.000 3/36036 600.0 3.642 2.088 2.421 0.000 -0.258 0.000 3/36036 610.0 3.583 2.054 2.381 0.000 -0.254 0.000 3/36036 620.0 3.525 2.022 2.342 0.000 -0.250 0.000 3/36036 630.0 3.470 1.991 2.304 0.000 -0.246 0.000 3/36036 640.0 3.416 1.960 2.267 0.000 -0.242 0.000 3/36036 650.0 3.364 1.931 2.232 0.000 -0.238 0.000 3/36036 660.0 3.313 1.902 2.198 0.000 -0.234 0.000 3/36036 670.0 3.264 1.874 2.165 0.000 -0.231 0.000 3/36036 680.0 3.216 1.847 2.132 0.000 -0.227 0.000 3/36036 690.0 3.170 1.821 2.101 0.000 -0.224 0.000 3/36036 700.0 3.125 1.796 2.071 0.000 -0.221 0.000 3/36036 710.0 3.082 1.771 2.041 0.000 -0.218 0.000 3/36036 720.0 3.039 1.747 2.013 0.000 -0.215 0.000 3/36036 730.0 2.998 1.724 1.985 0.000 -0.212 0.000 3/36036 740.0 2.958 1.701 1.958 0.000 -0.209 0.000 3/36036 750.0 2.919 1.679 1.931 0.000 -0.206 0.000 3/36036 760.0 2.881 1.657 1.906 0.000 -0.203 0.000 3/36036 770.0 2.844 1.636 1.881 0.000 -0.201 0.000 3/36036 780.0 2.808 1.616 1.856 0.000 -0.198 0.000 3/36036 790.0 2.773 1.596 1.833 0.000 -0.196 0.000 3/36036 800.0 2.738 1.577 1.810 0.000 -0.193 0.000 3/36036 810.0 2.705 1.558 1.787 0.000 -0.191 0.000 3/36036 820.0 2.672 1.539 1.765 0.000 -0.188 0.000 3/36036 830.0 2.640 1.521 1.744 0.000 -0.186 0.000 3/36036 840.0 2.609 1.503 1.723 0.000 -0.184 0.000 3/36036 850.0 2.579 1.486 1.703 0.000 -0.182 0.000 3/36036 860.0 2.549 1.469 1.683 0.000 -0.180 0.000 3/36036 870.0 2.520 1.453 1.663 0.000 -0.178 0.000 3/36036 880.0 2.492 1.436 1.644 0.000 -0.176 0.000 3/36036 890.0 2.464 1.421 1.626 0.000 -0.174 0.000 3/36036 900.0 2.437 1.405 1.608 0.000 -0.172 0.000 3/36036 910.0 2.411 1.390 1.590 0.000 -0.170 0.000 3/36036 920.0 2.385 1.375 1.573 0.000 -0.168 0.000 3/36036 930.0 2.360 1.361 1.556 0.000 -0.166 0.000 3/36036 940.0 2.335 1.347 1.539 0.000 -0.164 0.000 3/36036 950.0 2.310 1.333 1.523 0.000 -0.163 0.000 3/36036 960.0 2.287 1.319 1.507 0.000 -0.161 0.000 3/36036 970.0 2.263 1.306 1.491 0.000 -0.159 0.000 3/36036 980.0 2.240 1.293 1.476 0.000 -0.158 0.000 3/36036 990.0 2.218 1.280 1.461 0.000 -0.156 0.000 3/36036 1000.0 2.196 1.268 1.446 0.000 -0.154 0.000 3/36036 Thermal conductivity related properties were written into "kappa-m1167.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:39:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|