----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:49:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.323199730101684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.874112609999998 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): *1 O 0.59285093720456 0.28887821910808 0.37903183720330 15.999 2 O 0.40714906279544 0.78887821910808 0.12096816279670 15.999 3 O 0.40714906279544 0.71112178089192 0.62096816279670 15.999 4 O 0.59285093720456 0.21112178089192 0.87903183720330 15.999 *5 O 0.34130243664855 0.39744968365286 0.02658867487830 15.999 6 O 0.65869756335145 0.89744968365286 0.47341132512170 15.999 7 O 0.65869756335145 0.60255031634714 0.97341132512170 15.999 8 O 0.34130243664855 0.10255031634714 0.52658867487830 15.999 *9 O 0.18615245099633 0.00190988100175 0.75015232993785 15.999 10 O 0.81384754900367 0.50190988100175 0.74984767006215 15.999 11 O 0.81384754900367 0.99809011899825 0.24984767006215 15.999 12 O 0.18615245099633 0.49809011899825 0.25015232993785 15.999 *13 O 0.11606903415488 0.33548295038529 0.61654974048750 15.999 14 O 0.88393096584512 0.83548295038529 0.88345025951250 15.999 15 O 0.88393096584512 0.66451704961471 0.38345025951250 15.999 16 O 0.11606903415488 0.16451704961471 0.11654974048750 15.999 *17 P 0.31044622784126 0.33850874164555 0.19760135892903 30.974 18 P 0.68955377215874 0.83850874164555 0.30239864107097 30.974 19 P 0.68955377215874 0.66149125835445 0.80239864107097 30.974 20 P 0.31044622784126 0.16149125835445 0.69760135892903 30.974 *21 Sm 0.81574367689865 0.34451002772292 0.21766720287532 150.360 22 Sm 0.18425632310135 0.84451002772292 0.28233279712468 150.360 23 Sm 0.18425632310135 0.65548997227708 0.78233279712468 150.360 24 Sm 0.81574367689865 0.15548997227708 0.71766720287532 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.323199730101684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.874112609999998 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): *1 O 0.59285093720456 0.28887821910808 0.37903183720330 15.999 > 1 2 O 0.40714906279544 0.78887821910808 0.12096816279670 15.999 > 2 3 O 0.40714906279544 0.71112178089192 0.62096816279670 15.999 > 3 4 O 0.59285093720456 0.21112178089192 0.87903183720330 15.999 > 4 *5 O 0.34130243664855 0.39744968365286 0.02658867487830 15.999 > 5 6 O 0.65869756335145 0.89744968365286 0.47341132512170 15.999 > 6 7 O 0.65869756335145 0.60255031634714 0.97341132512170 15.999 > 7 8 O 0.34130243664855 0.10255031634714 0.52658867487830 15.999 > 8 *9 O 0.18615245099633 0.00190988100175 0.75015232993785 15.999 > 9 10 O 0.81384754900367 0.50190988100175 0.74984767006215 15.999 > 10 11 O 0.81384754900367 0.99809011899825 0.24984767006215 15.999 > 11 12 O 0.18615245099633 0.49809011899825 0.25015232993785 15.999 > 12 *13 O 0.11606903415488 0.33548295038529 0.61654974048750 15.999 > 13 14 O 0.88393096584512 0.83548295038529 0.88345025951250 15.999 > 14 15 O 0.88393096584512 0.66451704961471 0.38345025951250 15.999 > 15 16 O 0.11606903415488 0.16451704961471 0.11654974048750 15.999 > 16 *17 P 0.31044622784126 0.33850874164555 0.19760135892903 30.974 > 17 18 P 0.68955377215874 0.83850874164555 0.30239864107097 30.974 > 18 19 P 0.68955377215874 0.66149125835445 0.80239864107097 30.974 > 19 20 P 0.31044622784126 0.16149125835445 0.69760135892903 30.974 > 20 *21 Sm 0.81574367689865 0.34451002772292 0.21766720287532 150.360 > 21 22 Sm 0.18425632310135 0.84451002772292 0.28233279712468 150.360 > 22 23 Sm 0.18425632310135 0.65548997227708 0.78233279712468 150.360 > 23 24 Sm 0.81574367689865 0.15548997227708 0.71766720287532 150.360 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.646399460203368 0.000000000000000 0.000000000000000 b 0.000000000000000 13.748225219999997 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): *1 O 0.29642546860228 0.14443910955404 0.37903183720330 15.999 > 1 2 O 0.79642546860228 0.14443910955404 0.37903183720330 15.999 > 1 3 O 0.29642546860228 0.64443910955404 0.37903183720330 15.999 > 1 4 O 0.79642546860228 0.64443910955404 0.37903183720330 15.999 > 1 5 O 0.20357453139772 0.39443910955404 0.12096816279670 15.999 > 2 6 O 0.70357453139772 0.39443910955404 0.12096816279670 15.999 > 2 7 O 0.20357453139772 0.89443910955404 0.12096816279670 15.999 > 2 8 O 0.70357453139772 0.89443910955404 0.12096816279670 15.999 > 2 9 O 0.20357453139772 0.35556089044596 0.62096816279670 15.999 > 3 10 O 0.70357453139772 0.35556089044596 0.62096816279670 15.999 > 3 11 O 0.20357453139772 0.85556089044596 0.62096816279670 15.999 > 3 12 O 0.70357453139772 0.85556089044596 0.62096816279670 15.999 > 3 13 O 0.29642546860228 0.10556089044596 0.87903183720330 15.999 > 4 14 O 0.79642546860228 0.10556089044596 0.87903183720330 15.999 > 4 15 O 0.29642546860228 0.60556089044596 0.87903183720330 15.999 > 4 16 O 0.79642546860228 0.60556089044596 0.87903183720330 15.999 > 4 *17 O 0.17065121832427 0.19872484182643 0.02658867487830 15.999 > 5 18 O 0.67065121832427 0.19872484182643 0.02658867487830 15.999 > 5 19 O 0.17065121832427 0.69872484182643 0.02658867487830 15.999 > 5 20 O 0.67065121832427 0.69872484182643 0.02658867487830 15.999 > 5 21 O 0.32934878167573 0.44872484182643 0.47341132512170 15.999 > 6 22 O 0.82934878167573 0.44872484182643 0.47341132512170 15.999 > 6 23 O 0.32934878167573 0.94872484182643 0.47341132512170 15.999 > 6 24 O 0.82934878167573 0.94872484182643 0.47341132512170 15.999 > 6 25 O 0.32934878167573 0.30127515817357 0.97341132512170 15.999 > 7 26 O 0.82934878167573 0.30127515817357 0.97341132512170 15.999 > 7 27 O 0.32934878167573 0.80127515817357 0.97341132512170 15.999 > 7 28 O 0.82934878167573 0.80127515817357 0.97341132512170 15.999 > 7 29 O 0.17065121832427 0.05127515817357 0.52658867487830 15.999 > 8 30 O 0.67065121832427 0.05127515817357 0.52658867487830 15.999 > 8 31 O 0.17065121832427 0.55127515817357 0.52658867487830 15.999 > 8 32 O 0.67065121832427 0.55127515817357 0.52658867487830 15.999 > 8 *33 O 0.09307622549816 0.00095494050088 0.75015232993785 15.999 > 9 34 O 0.59307622549816 0.00095494050088 0.75015232993785 15.999 > 9 35 O 0.09307622549816 0.50095494050088 0.75015232993785 15.999 > 9 36 O 0.59307622549816 0.50095494050088 0.75015232993785 15.999 > 9 37 O 0.40692377450183 0.25095494050088 0.74984767006215 15.999 > 10 38 O 0.90692377450184 0.25095494050088 0.74984767006215 15.999 > 10 39 O 0.40692377450183 0.75095494050088 0.74984767006215 15.999 > 10 40 O 0.90692377450184 0.75095494050088 0.74984767006215 15.999 > 10 41 O 0.40692377450183 0.49904505949912 0.24984767006215 15.999 > 11 42 O 0.90692377450184 0.49904505949912 0.24984767006215 15.999 > 11 43 O 0.40692377450183 0.99904505949912 0.24984767006215 15.999 > 11 44 O 0.90692377450184 0.99904505949912 0.24984767006215 15.999 > 11 45 O 0.09307622549816 0.24904505949912 0.25015232993785 15.999 > 12 46 O 0.59307622549816 0.24904505949912 0.25015232993785 15.999 > 12 47 O 0.09307622549816 0.74904505949912 0.25015232993785 15.999 > 12 48 O 0.59307622549816 0.74904505949912 0.25015232993785 15.999 > 12 *49 O 0.05803451707744 0.16774147519264 0.61654974048750 15.999 > 13 50 O 0.55803451707744 0.16774147519264 0.61654974048750 15.999 > 13 51 O 0.05803451707744 0.66774147519264 0.61654974048750 15.999 > 13 52 O 0.55803451707744 0.66774147519264 0.61654974048750 15.999 > 13 53 O 0.44196548292256 0.41774147519264 0.88345025951250 15.999 > 14 54 O 0.94196548292256 0.41774147519264 0.88345025951250 15.999 > 14 55 O 0.44196548292256 0.91774147519264 0.88345025951250 15.999 > 14 56 O 0.94196548292256 0.91774147519264 0.88345025951250 15.999 > 14 57 O 0.44196548292256 0.33225852480736 0.38345025951250 15.999 > 15 58 O 0.94196548292256 0.33225852480736 0.38345025951250 15.999 > 15 59 O 0.44196548292256 0.83225852480736 0.38345025951250 15.999 > 15 60 O 0.94196548292256 0.83225852480736 0.38345025951250 15.999 > 15 61 O 0.05803451707744 0.08225852480736 0.11654974048750 15.999 > 16 62 O 0.55803451707744 0.08225852480736 0.11654974048750 15.999 > 16 63 O 0.05803451707744 0.58225852480736 0.11654974048750 15.999 > 16 64 O 0.55803451707744 0.58225852480736 0.11654974048750 15.999 > 16 *65 P 0.15522311392063 0.16925437082277 0.19760135892903 30.974 > 17 66 P 0.65522311392063 0.16925437082277 0.19760135892903 30.974 > 17 67 P 0.15522311392063 0.66925437082277 0.19760135892903 30.974 > 17 68 P 0.65522311392063 0.66925437082277 0.19760135892903 30.974 > 17 69 P 0.34477688607937 0.41925437082277 0.30239864107097 30.974 > 18 70 P 0.84477688607937 0.41925437082277 0.30239864107097 30.974 > 18 71 P 0.34477688607937 0.91925437082277 0.30239864107097 30.974 > 18 72 P 0.84477688607937 0.91925437082277 0.30239864107097 30.974 > 18 73 P 0.34477688607937 0.33074562917723 0.80239864107097 30.974 > 19 74 P 0.84477688607937 0.33074562917723 0.80239864107097 30.974 > 19 75 P 0.34477688607937 0.83074562917723 0.80239864107097 30.974 > 19 76 P 0.84477688607937 0.83074562917723 0.80239864107097 30.974 > 19 77 P 0.15522311392063 0.08074562917723 0.69760135892903 30.974 > 20 78 P 0.65522311392063 0.08074562917723 0.69760135892903 30.974 > 20 79 P 0.15522311392063 0.58074562917723 0.69760135892903 30.974 > 20 80 P 0.65522311392063 0.58074562917723 0.69760135892903 30.974 > 20 *81 Sm 0.40787183844932 0.17225501386146 0.21766720287532 150.360 > 21 82 Sm 0.90787183844932 0.17225501386146 0.21766720287532 150.360 > 21 83 Sm 0.40787183844932 0.67225501386146 0.21766720287532 150.360 > 21 84 Sm 0.90787183844932 0.67225501386146 0.21766720287532 150.360 > 21 85 Sm 0.09212816155068 0.42225501386146 0.28233279712468 150.360 > 22 86 Sm 0.59212816155068 0.42225501386146 0.28233279712468 150.360 > 22 87 Sm 0.09212816155068 0.92225501386146 0.28233279712468 150.360 > 22 88 Sm 0.59212816155068 0.92225501386146 0.28233279712468 150.360 > 22 89 Sm 0.09212816155068 0.32774498613854 0.78233279712468 150.360 > 23 90 Sm 0.59212816155068 0.32774498613854 0.78233279712468 150.360 > 23 91 Sm 0.09212816155068 0.82774498613854 0.78233279712468 150.360 > 23 92 Sm 0.59212816155068 0.82774498613854 0.78233279712468 150.360 > 23 93 Sm 0.40787183844932 0.07774498613854 0.71766720287532 150.360 > 24 94 Sm 0.90787183844932 0.07774498613854 0.71766720287532 150.360 > 24 95 Sm 0.40787183844932 0.57774498613854 0.71766720287532 150.360 > 24 96 Sm 0.90787183844932 0.57774498613854 0.71766720287532 150.360 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7506648 0.0000000 -0.0163857 0.0000000 3.4671041 0.0000000 -0.0163817 0.0000000 3.4756696 -------------------------- Born effective charges -------------------------- 1 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 2 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 3 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 4 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 5 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 6 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 7 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 8 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 9 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 10 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 11 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 12 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 13 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 14 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 15 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 16 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 17 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 18 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 19 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 20 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 21 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 22 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 23 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 24 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 720 - Time: 0.813 Solver_block: 200 / 720 - Time: 0.639 Solver_block: 300 / 720 - Time: 0.642 Solver_block: 400 / 720 - Time: 0.744 Solver_block: 500 / 720 - Time: 2.242 Solver_block: 600 / 720 - Time: 1.090 Solver_block: 700 / 720 - Time: 0.647 Solver_block: 720 / 720 - Time: 0.256 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.380 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-07 19:50:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:50:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.323199730101684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.874112609999998 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): 1 O 0.59285093720456 0.28887821910808 0.37903183720330 15.999 2 O 0.40714906279544 0.78887821910808 0.12096816279670 15.999 3 O 0.40714906279544 0.71112178089192 0.62096816279670 15.999 4 O 0.59285093720456 0.21112178089192 0.87903183720330 15.999 5 O 0.34130243664855 0.39744968365286 0.02658867487830 15.999 6 O 0.65869756335145 0.89744968365286 0.47341132512170 15.999 7 O 0.65869756335145 0.60255031634714 0.97341132512170 15.999 8 O 0.34130243664855 0.10255031634714 0.52658867487830 15.999 9 O 0.18615245099633 0.00190988100175 0.75015232993785 15.999 10 O 0.81384754900367 0.50190988100175 0.74984767006215 15.999 11 O 0.81384754900367 0.99809011899825 0.24984767006215 15.999 12 O 0.18615245099633 0.49809011899825 0.25015232993785 15.999 13 O 0.11606903415488 0.33548295038529 0.61654974048750 15.999 14 O 0.88393096584512 0.83548295038529 0.88345025951250 15.999 15 O 0.88393096584512 0.66451704961471 0.38345025951250 15.999 16 O 0.11606903415488 0.16451704961471 0.11654974048750 15.999 17 P 0.31044622784126 0.33850874164555 0.19760135892903 30.974 18 P 0.68955377215874 0.83850874164555 0.30239864107097 30.974 19 P 0.68955377215874 0.66149125835445 0.80239864107097 30.974 20 P 0.31044622784126 0.16149125835445 0.69760135892903 30.974 21 Sm 0.81574367689865 0.34451002772292 0.21766720287532 150.360 22 Sm 0.18425632310135 0.84451002772292 0.28233279712468 150.360 23 Sm 0.18425632310135 0.65548997227708 0.78233279712468 150.360 24 Sm 0.81574367689865 0.15548997227708 0.71766720287532 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.646399460203368 0.000000000000000 0.000000000000000 b 0.000000000000000 13.748225219999997 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): 1 O 0.29642546860228 0.14443910955404 0.37903183720330 15.999 > 1 2 O 0.79642546860228 0.14443910955404 0.37903183720330 15.999 > 1 3 O 0.29642546860228 0.64443910955404 0.37903183720330 15.999 > 1 4 O 0.79642546860228 0.64443910955404 0.37903183720330 15.999 > 1 5 O 0.20357453139772 0.39443910955404 0.12096816279670 15.999 > 5 6 O 0.70357453139772 0.39443910955404 0.12096816279670 15.999 > 5 7 O 0.20357453139772 0.89443910955404 0.12096816279670 15.999 > 5 8 O 0.70357453139772 0.89443910955404 0.12096816279670 15.999 > 5 9 O 0.20357453139772 0.35556089044596 0.62096816279670 15.999 > 9 10 O 0.70357453139772 0.35556089044596 0.62096816279670 15.999 > 9 11 O 0.20357453139772 0.85556089044596 0.62096816279670 15.999 > 9 12 O 0.70357453139772 0.85556089044596 0.62096816279670 15.999 > 9 13 O 0.29642546860228 0.10556089044596 0.87903183720330 15.999 > 13 14 O 0.79642546860228 0.10556089044596 0.87903183720330 15.999 > 13 15 O 0.29642546860228 0.60556089044596 0.87903183720330 15.999 > 13 16 O 0.79642546860228 0.60556089044596 0.87903183720330 15.999 > 13 17 O 0.17065121832427 0.19872484182643 0.02658867487830 15.999 > 17 18 O 0.67065121832427 0.19872484182643 0.02658867487830 15.999 > 17 19 O 0.17065121832427 0.69872484182643 0.02658867487830 15.999 > 17 20 O 0.67065121832427 0.69872484182643 0.02658867487830 15.999 > 17 21 O 0.32934878167573 0.44872484182643 0.47341132512170 15.999 > 21 22 O 0.82934878167573 0.44872484182643 0.47341132512170 15.999 > 21 23 O 0.32934878167573 0.94872484182643 0.47341132512170 15.999 > 21 24 O 0.82934878167573 0.94872484182643 0.47341132512170 15.999 > 21 25 O 0.32934878167573 0.30127515817357 0.97341132512170 15.999 > 25 26 O 0.82934878167573 0.30127515817357 0.97341132512170 15.999 > 25 27 O 0.32934878167573 0.80127515817357 0.97341132512170 15.999 > 25 28 O 0.82934878167573 0.80127515817357 0.97341132512170 15.999 > 25 29 O 0.17065121832427 0.05127515817357 0.52658867487830 15.999 > 29 30 O 0.67065121832427 0.05127515817357 0.52658867487830 15.999 > 29 31 O 0.17065121832427 0.55127515817357 0.52658867487830 15.999 > 29 32 O 0.67065121832427 0.55127515817357 0.52658867487830 15.999 > 29 33 O 0.09307622549816 0.00095494050088 0.75015232993785 15.999 > 33 34 O 0.59307622549816 0.00095494050088 0.75015232993785 15.999 > 33 35 O 0.09307622549816 0.50095494050088 0.75015232993785 15.999 > 33 36 O 0.59307622549816 0.50095494050088 0.75015232993785 15.999 > 33 37 O 0.40692377450183 0.25095494050088 0.74984767006215 15.999 > 37 38 O 0.90692377450184 0.25095494050088 0.74984767006215 15.999 > 37 39 O 0.40692377450183 0.75095494050088 0.74984767006215 15.999 > 37 40 O 0.90692377450184 0.75095494050088 0.74984767006215 15.999 > 37 41 O 0.40692377450183 0.49904505949912 0.24984767006215 15.999 > 41 42 O 0.90692377450184 0.49904505949912 0.24984767006215 15.999 > 41 43 O 0.40692377450183 0.99904505949912 0.24984767006215 15.999 > 41 44 O 0.90692377450184 0.99904505949912 0.24984767006215 15.999 > 41 45 O 0.09307622549816 0.24904505949912 0.25015232993785 15.999 > 45 46 O 0.59307622549816 0.24904505949912 0.25015232993785 15.999 > 45 47 O 0.09307622549816 0.74904505949912 0.25015232993785 15.999 > 45 48 O 0.59307622549816 0.74904505949912 0.25015232993785 15.999 > 45 49 O 0.05803451707744 0.16774147519264 0.61654974048750 15.999 > 49 50 O 0.55803451707744 0.16774147519264 0.61654974048750 15.999 > 49 51 O 0.05803451707744 0.66774147519264 0.61654974048750 15.999 > 49 52 O 0.55803451707744 0.66774147519264 0.61654974048750 15.999 > 49 53 O 0.44196548292256 0.41774147519264 0.88345025951250 15.999 > 53 54 O 0.94196548292256 0.41774147519264 0.88345025951250 15.999 > 53 55 O 0.44196548292256 0.91774147519264 0.88345025951250 15.999 > 53 56 O 0.94196548292256 0.91774147519264 0.88345025951250 15.999 > 53 57 O 0.44196548292256 0.33225852480736 0.38345025951250 15.999 > 57 58 O 0.94196548292256 0.33225852480736 0.38345025951250 15.999 > 57 59 O 0.44196548292256 0.83225852480736 0.38345025951250 15.999 > 57 60 O 0.94196548292256 0.83225852480736 0.38345025951250 15.999 > 57 61 O 0.05803451707744 0.08225852480736 0.11654974048750 15.999 > 61 62 O 0.55803451707744 0.08225852480736 0.11654974048750 15.999 > 61 63 O 0.05803451707744 0.58225852480736 0.11654974048750 15.999 > 61 64 O 0.55803451707744 0.58225852480736 0.11654974048750 15.999 > 61 65 P 0.15522311392063 0.16925437082277 0.19760135892903 30.974 > 65 66 P 0.65522311392063 0.16925437082277 0.19760135892903 30.974 > 65 67 P 0.15522311392063 0.66925437082277 0.19760135892903 30.974 > 65 68 P 0.65522311392063 0.66925437082277 0.19760135892903 30.974 > 65 69 P 0.34477688607937 0.41925437082277 0.30239864107097 30.974 > 69 70 P 0.84477688607937 0.41925437082277 0.30239864107097 30.974 > 69 71 P 0.34477688607937 0.91925437082277 0.30239864107097 30.974 > 69 72 P 0.84477688607937 0.91925437082277 0.30239864107097 30.974 > 69 73 P 0.34477688607937 0.33074562917723 0.80239864107097 30.974 > 73 74 P 0.84477688607937 0.33074562917723 0.80239864107097 30.974 > 73 75 P 0.34477688607937 0.83074562917723 0.80239864107097 30.974 > 73 76 P 0.84477688607937 0.83074562917723 0.80239864107097 30.974 > 73 77 P 0.15522311392063 0.08074562917723 0.69760135892903 30.974 > 77 78 P 0.65522311392063 0.08074562917723 0.69760135892903 30.974 > 77 79 P 0.15522311392063 0.58074562917723 0.69760135892903 30.974 > 77 80 P 0.65522311392063 0.58074562917723 0.69760135892903 30.974 > 77 81 Sm 0.40787183844932 0.17225501386146 0.21766720287532 150.360 > 81 82 Sm 0.90787183844932 0.17225501386146 0.21766720287532 150.360 > 81 83 Sm 0.40787183844932 0.67225501386146 0.21766720287532 150.360 > 81 84 Sm 0.90787183844932 0.67225501386146 0.21766720287532 150.360 > 81 85 Sm 0.09212816155068 0.42225501386146 0.28233279712468 150.360 > 85 86 Sm 0.59212816155068 0.42225501386146 0.28233279712468 150.360 > 85 87 Sm 0.09212816155068 0.92225501386146 0.28233279712468 150.360 > 85 88 Sm 0.59212816155068 0.92225501386146 0.28233279712468 150.360 > 85 89 Sm 0.09212816155068 0.32774498613854 0.78233279712468 150.360 > 89 90 Sm 0.59212816155068 0.32774498613854 0.78233279712468 150.360 > 89 91 Sm 0.09212816155068 0.82774498613854 0.78233279712468 150.360 > 89 92 Sm 0.59212816155068 0.82774498613854 0.78233279712468 150.360 > 89 93 Sm 0.40787183844932 0.07774498613854 0.71766720287532 150.360 > 93 94 Sm 0.90787183844932 0.07774498613854 0.71766720287532 150.360 > 93 95 Sm 0.40787183844932 0.57774498613854 0.71766720287532 150.360 > 93 96 Sm 0.90787183844932 0.57774498613854 0.71766720287532 150.360 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7506648 0.0000000 -0.0163857 0.0000000 3.4671041 0.0000000 -0.0163817 0.0000000 3.4756696 -------------------------- Born effective charges -------------------------- 1 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 2 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 3 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 4 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 5 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 6 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 7 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 8 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 9 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 10 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 11 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 12 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 13 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 14 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 15 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 16 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 17 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 18 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 19 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 20 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 21 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 22 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 23 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 24 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zy) -0.00000002 (zy) 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 2026-01-07 19:51:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.323199730101684 0.000000000000000 0.000000000000000 b 0.000000000000000 6.874112609999998 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): 1 O 0.59285093720456 0.28887821910808 0.37903183720330 15.999 2 O 0.40714906279544 0.78887821910808 0.12096816279670 15.999 3 O 0.40714906279544 0.71112178089192 0.62096816279670 15.999 4 O 0.59285093720456 0.21112178089192 0.87903183720330 15.999 5 O 0.34130243664855 0.39744968365286 0.02658867487830 15.999 6 O 0.65869756335145 0.89744968365286 0.47341132512170 15.999 7 O 0.65869756335145 0.60255031634714 0.97341132512170 15.999 8 O 0.34130243664855 0.10255031634714 0.52658867487830 15.999 9 O 0.18615245099633 0.00190988100175 0.75015232993785 15.999 10 O 0.81384754900367 0.50190988100175 0.74984767006215 15.999 11 O 0.81384754900367 0.99809011899825 0.24984767006215 15.999 12 O 0.18615245099633 0.49809011899825 0.25015232993785 15.999 13 O 0.11606903415488 0.33548295038529 0.61654974048750 15.999 14 O 0.88393096584512 0.83548295038529 0.88345025951250 15.999 15 O 0.88393096584512 0.66451704961471 0.38345025951250 15.999 16 O 0.11606903415488 0.16451704961471 0.11654974048750 15.999 17 P 0.31044622784126 0.33850874164555 0.19760135892903 30.974 18 P 0.68955377215874 0.83850874164555 0.30239864107097 30.974 19 P 0.68955377215874 0.66149125835445 0.80239864107097 30.974 20 P 0.31044622784126 0.16149125835445 0.69760135892903 30.974 21 Sm 0.81574367689865 0.34451002772292 0.21766720287532 150.360 22 Sm 0.18425632310135 0.84451002772292 0.28233279712468 150.360 23 Sm 0.18425632310135 0.65548997227708 0.78233279712468 150.360 24 Sm 0.81574367689865 0.15548997227708 0.71766720287532 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.646399460203368 0.000000000000000 0.000000000000000 b 0.000000000000000 13.748225219999997 0.000000000000000 c -4.708337235321480 0.000000000000000 6.480971891929321 Atomic positions (fractional): 1 O 0.29642546860228 0.14443910955404 0.37903183720330 15.999 > 1 2 O 0.79642546860228 0.14443910955404 0.37903183720330 15.999 > 1 3 O 0.29642546860228 0.64443910955404 0.37903183720330 15.999 > 1 4 O 0.79642546860228 0.64443910955404 0.37903183720330 15.999 > 1 5 O 0.20357453139772 0.39443910955404 0.12096816279670 15.999 > 5 6 O 0.70357453139772 0.39443910955404 0.12096816279670 15.999 > 5 7 O 0.20357453139772 0.89443910955404 0.12096816279670 15.999 > 5 8 O 0.70357453139772 0.89443910955404 0.12096816279670 15.999 > 5 9 O 0.20357453139772 0.35556089044596 0.62096816279670 15.999 > 9 10 O 0.70357453139772 0.35556089044596 0.62096816279670 15.999 > 9 11 O 0.20357453139772 0.85556089044596 0.62096816279670 15.999 > 9 12 O 0.70357453139772 0.85556089044596 0.62096816279670 15.999 > 9 13 O 0.29642546860228 0.10556089044596 0.87903183720330 15.999 > 13 14 O 0.79642546860228 0.10556089044596 0.87903183720330 15.999 > 13 15 O 0.29642546860228 0.60556089044596 0.87903183720330 15.999 > 13 16 O 0.79642546860228 0.60556089044596 0.87903183720330 15.999 > 13 17 O 0.17065121832427 0.19872484182643 0.02658867487830 15.999 > 17 18 O 0.67065121832427 0.19872484182643 0.02658867487830 15.999 > 17 19 O 0.17065121832427 0.69872484182643 0.02658867487830 15.999 > 17 20 O 0.67065121832427 0.69872484182643 0.02658867487830 15.999 > 17 21 O 0.32934878167573 0.44872484182643 0.47341132512170 15.999 > 21 22 O 0.82934878167573 0.44872484182643 0.47341132512170 15.999 > 21 23 O 0.32934878167573 0.94872484182643 0.47341132512170 15.999 > 21 24 O 0.82934878167573 0.94872484182643 0.47341132512170 15.999 > 21 25 O 0.32934878167573 0.30127515817357 0.97341132512170 15.999 > 25 26 O 0.82934878167573 0.30127515817357 0.97341132512170 15.999 > 25 27 O 0.32934878167573 0.80127515817357 0.97341132512170 15.999 > 25 28 O 0.82934878167573 0.80127515817357 0.97341132512170 15.999 > 25 29 O 0.17065121832427 0.05127515817357 0.52658867487830 15.999 > 29 30 O 0.67065121832427 0.05127515817357 0.52658867487830 15.999 > 29 31 O 0.17065121832427 0.55127515817357 0.52658867487830 15.999 > 29 32 O 0.67065121832427 0.55127515817357 0.52658867487830 15.999 > 29 33 O 0.09307622549816 0.00095494050088 0.75015232993785 15.999 > 33 34 O 0.59307622549816 0.00095494050088 0.75015232993785 15.999 > 33 35 O 0.09307622549816 0.50095494050088 0.75015232993785 15.999 > 33 36 O 0.59307622549816 0.50095494050088 0.75015232993785 15.999 > 33 37 O 0.40692377450183 0.25095494050088 0.74984767006215 15.999 > 37 38 O 0.90692377450184 0.25095494050088 0.74984767006215 15.999 > 37 39 O 0.40692377450183 0.75095494050088 0.74984767006215 15.999 > 37 40 O 0.90692377450184 0.75095494050088 0.74984767006215 15.999 > 37 41 O 0.40692377450183 0.49904505949912 0.24984767006215 15.999 > 41 42 O 0.90692377450184 0.49904505949912 0.24984767006215 15.999 > 41 43 O 0.40692377450183 0.99904505949912 0.24984767006215 15.999 > 41 44 O 0.90692377450184 0.99904505949912 0.24984767006215 15.999 > 41 45 O 0.09307622549816 0.24904505949912 0.25015232993785 15.999 > 45 46 O 0.59307622549816 0.24904505949912 0.25015232993785 15.999 > 45 47 O 0.09307622549816 0.74904505949912 0.25015232993785 15.999 > 45 48 O 0.59307622549816 0.74904505949912 0.25015232993785 15.999 > 45 49 O 0.05803451707744 0.16774147519264 0.61654974048750 15.999 > 49 50 O 0.55803451707744 0.16774147519264 0.61654974048750 15.999 > 49 51 O 0.05803451707744 0.66774147519264 0.61654974048750 15.999 > 49 52 O 0.55803451707744 0.66774147519264 0.61654974048750 15.999 > 49 53 O 0.44196548292256 0.41774147519264 0.88345025951250 15.999 > 53 54 O 0.94196548292256 0.41774147519264 0.88345025951250 15.999 > 53 55 O 0.44196548292256 0.91774147519264 0.88345025951250 15.999 > 53 56 O 0.94196548292256 0.91774147519264 0.88345025951250 15.999 > 53 57 O 0.44196548292256 0.33225852480736 0.38345025951250 15.999 > 57 58 O 0.94196548292256 0.33225852480736 0.38345025951250 15.999 > 57 59 O 0.44196548292256 0.83225852480736 0.38345025951250 15.999 > 57 60 O 0.94196548292256 0.83225852480736 0.38345025951250 15.999 > 57 61 O 0.05803451707744 0.08225852480736 0.11654974048750 15.999 > 61 62 O 0.55803451707744 0.08225852480736 0.11654974048750 15.999 > 61 63 O 0.05803451707744 0.58225852480736 0.11654974048750 15.999 > 61 64 O 0.55803451707744 0.58225852480736 0.11654974048750 15.999 > 61 65 P 0.15522311392063 0.16925437082277 0.19760135892903 30.974 > 65 66 P 0.65522311392063 0.16925437082277 0.19760135892903 30.974 > 65 67 P 0.15522311392063 0.66925437082277 0.19760135892903 30.974 > 65 68 P 0.65522311392063 0.66925437082277 0.19760135892903 30.974 > 65 69 P 0.34477688607937 0.41925437082277 0.30239864107097 30.974 > 69 70 P 0.84477688607937 0.41925437082277 0.30239864107097 30.974 > 69 71 P 0.34477688607937 0.91925437082277 0.30239864107097 30.974 > 69 72 P 0.84477688607937 0.91925437082277 0.30239864107097 30.974 > 69 73 P 0.34477688607937 0.33074562917723 0.80239864107097 30.974 > 73 74 P 0.84477688607937 0.33074562917723 0.80239864107097 30.974 > 73 75 P 0.34477688607937 0.83074562917723 0.80239864107097 30.974 > 73 76 P 0.84477688607937 0.83074562917723 0.80239864107097 30.974 > 73 77 P 0.15522311392063 0.08074562917723 0.69760135892903 30.974 > 77 78 P 0.65522311392063 0.08074562917723 0.69760135892903 30.974 > 77 79 P 0.15522311392063 0.58074562917723 0.69760135892903 30.974 > 77 80 P 0.65522311392063 0.58074562917723 0.69760135892903 30.974 > 77 81 Sm 0.40787183844932 0.17225501386146 0.21766720287532 150.360 > 81 82 Sm 0.90787183844932 0.17225501386146 0.21766720287532 150.360 > 81 83 Sm 0.40787183844932 0.67225501386146 0.21766720287532 150.360 > 81 84 Sm 0.90787183844932 0.67225501386146 0.21766720287532 150.360 > 81 85 Sm 0.09212816155068 0.42225501386146 0.28233279712468 150.360 > 85 86 Sm 0.59212816155068 0.42225501386146 0.28233279712468 150.360 > 85 87 Sm 0.09212816155068 0.92225501386146 0.28233279712468 150.360 > 85 88 Sm 0.59212816155068 0.92225501386146 0.28233279712468 150.360 > 85 89 Sm 0.09212816155068 0.32774498613854 0.78233279712468 150.360 > 89 90 Sm 0.59212816155068 0.32774498613854 0.78233279712468 150.360 > 89 91 Sm 0.09212816155068 0.82774498613854 0.78233279712468 150.360 > 89 92 Sm 0.59212816155068 0.82774498613854 0.78233279712468 150.360 > 89 93 Sm 0.40787183844932 0.07774498613854 0.71766720287532 150.360 > 93 94 Sm 0.90787183844932 0.07774498613854 0.71766720287532 150.360 > 93 95 Sm 0.40787183844932 0.57774498613854 0.71766720287532 150.360 > 93 96 Sm 0.90787183844932 0.57774498613854 0.71766720287532 150.360 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7506648 0.0000000 -0.0163857 0.0000000 3.4671041 0.0000000 -0.0163817 0.0000000 3.4756696 -------------------------- Born effective charges -------------------------- 1 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 2 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 3 O -2.0842209 0.0489585 -0.2386211 0.0687992 -1.2248568 0.5186323 -0.2880254 0.4792207 -2.2940791 4 O -2.0842209 -0.0489585 -0.2386211 -0.0687992 -1.2248568 -0.5186323 -0.2880254 -0.4792207 -2.2940791 5 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 6 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 7 O -2.1526639 -0.2312003 0.3080095 -0.2257167 -1.5073305 0.5442955 0.3465855 0.4389839 -2.0785963 8 O -2.1526639 0.2312003 0.3080095 0.2257167 -1.5073305 -0.5442955 0.3465855 -0.4389839 -2.0785963 9 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 10 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 11 O -2.2477869 -0.4006277 0.1310951 -0.4206671 -2.4104818 0.2096947 0.0990648 0.2861805 -1.0968351 12 O -2.2477869 0.4006277 0.1310951 0.4206671 -2.4104818 -0.2096947 0.0990648 -0.2861805 -1.0968351 13 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 14 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 15 O -1.7666456 0.4147431 -0.1225272 0.4563890 -2.2464478 0.1250058 -0.1124331 0.0701581 -1.7835304 16 O -1.7666456 -0.4147431 -0.1225272 -0.4563890 -2.2464478 -0.1250058 -0.1124331 -0.0701581 -1.7835304 17 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 18 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 19 P 4.0888793 -0.0200811 -0.0052832 0.0088691 3.3174200 -0.0678836 0.0391798 -0.0271223 3.2143236 20 P 4.0888793 0.0200811 -0.0052832 -0.0088691 3.3174200 0.0678836 0.0391798 0.0271223 3.2143236 21 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 22 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 23 Sm 4.1624379 0.1640199 -0.0726732 0.0472795 4.0716970 -0.0837145 -0.0843715 -0.1628300 4.0387174 24 Sm 4.1624379 -0.1640199 -0.0726732 -0.0472795 4.0716970 0.0837145 -0.0843715 0.1628300 4.0387174 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 7 8 ] 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: 0.63, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 12.080 ( 0.000 0.000 0.000) 0.000 13.757 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.319 ( 0.000 0.000 0.000) 0.000 15.335 ( 0.000 0.000 0.000) 0.000 15.927 ( 0.000 0.000 0.000) 0.000 16.095 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.370 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.776 ( 0.000 0.000 0.000) 0.000 18.066 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.413 ( 0.000 0.000 0.000) 0.000 27.870 ( 0.000 0.000 0.000) 0.000 27.927 ( 0.000 0.000 0.000) 0.000 28.103 ( 0.000 0.000 0.000) 0.000 28.418 ( 0.000 0.000 0.000) 0.000 29.001 ( 0.000 0.000 0.000) 0.000 29.217 ( 0.000 0.000 0.000) 0.000 29.302 ( 0.000 0.000 0.000) 0.000 29.964 ( 0.000 0.000 0.000) 0.000 29.998 ( 0.000 0.000 0.000) 0.000 30.259 ( 0.000 0.000 0.000) 0.000 30.280 ( 0.000 0.000 0.000) 0.000 31.228 ( 0.000 0.000 0.000) 0.000 31.400 ( 0.000 0.000 0.000) 0.000 31.732 ( 0.000 0.000 0.000) 0.000 31.794 ( 0.000 0.000 0.000) 0.000 32.189 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 25.019 0.000 14.605) 28.970 0.646 ( 16.188 0.000 32.725) 36.510 1.190 ( 57.305 0.000 19.635) 60.575 2.457 ( 5.742 0.000 -20.522) 21.310 2.709 ( 9.227 0.000 -1.789) 9.398 2.930 ( 9.198 0.000 10.311) 13.817 3.343 ( 11.231 0.000 4.072) 11.947 3.364 ( 4.567 0.000 -11.003) 11.913 3.618 ( 1.157 0.000 -4.520) 4.666 3.807 ( 3.911 0.000 3.770) 5.432 3.925 ( -1.998 0.000 0.278) 2.018 4.304 ( 8.442 0.000 9.347) 12.596 4.559 ( -1.940 0.000 -3.189) 3.733 4.939 ( -12.364 0.000 14.341) 18.935 5.081 ( 4.966 0.000 5.144) 7.150 5.117 ( 4.814 0.000 0.530) 4.843 5.436 ( -2.873 0.000 1.740) 3.359 5.512 ( 2.723 0.000 -2.347) 3.595 5.765 ( 0.731 0.000 6.978) 7.016 5.767 ( 4.747 0.000 -3.595) 5.954 6.046 ( 0.552 0.000 15.449) 15.459 6.361 ( -5.674 0.000 -2.650) 6.262 6.661 ( -1.488 0.000 3.001) 3.350 6.920 ( 1.945 0.000 -2.446) 3.125 7.036 ( 11.647 0.000 -13.596) 17.903 7.067 ( 1.750 0.000 2.799) 3.301 7.270 ( 1.025 0.000 2.851) 3.030 7.419 ( 3.514 0.000 1.378) 3.774 7.881 ( -7.118 0.000 -7.827) 10.579 7.994 ( 0.731 0.000 0.769) 1.061 8.103 ( -1.306 0.000 0.000) 1.306 8.645 ( -14.368 0.000 5.584) 15.415 8.788 ( 7.234 0.000 -30.270) 31.122 8.940 ( 7.170 0.000 -8.527) 11.141 9.200 ( 11.349 0.000 -3.044) 11.751 9.472 ( -4.889 0.000 2.876) 5.673 11.318 ( 1.591 0.000 0.033) 1.592 11.426 ( -1.563 0.000 -0.553) 1.658 11.695 ( 0.635 0.000 2.398) 2.481 12.069 ( -1.757 0.000 0.763) 1.915 13.739 ( -0.625 0.000 -2.135) 2.225 14.136 ( -0.021 0.000 -0.683) 0.684 14.512 ( -8.201 0.000 -2.114) 8.469 14.964 ( -6.980 0.000 -0.820) 7.028 15.293 ( -2.531 0.000 -2.898) 3.848 15.330 ( -0.795 0.000 2.784) 2.895 16.055 ( 0.028 0.000 -5.087) 5.087 16.160 ( -21.375 0.000 28.054) 35.269 16.170 ( -0.678 0.000 6.727) 6.761 16.336 ( 3.395 0.000 -11.171) 11.676 16.544 ( -11.310 0.000 11.130) 15.867 16.948 ( -1.421 0.000 -2.371) 2.764 18.124 ( 7.021 0.000 -0.330) 7.029 18.193 ( 4.938 0.000 -0.289) 4.946 18.488 ( 7.189 0.000 2.187) 7.515 18.687 ( 30.940 0.000 -41.793) 52.000 27.886 ( 1.402 0.000 0.749) 1.590 27.993 ( 0.631 0.000 -2.080) 2.174 28.109 ( 1.567 0.000 -1.247) 2.003 28.390 ( -1.380 0.000 -2.885) 3.198 29.023 ( 2.138 0.000 0.800) 2.282 29.225 ( 0.911 0.000 0.063) 0.913 29.412 ( 5.597 0.000 -15.984) 16.935 29.920 ( -12.908 0.000 10.105) 16.393 30.140 ( -2.428 0.000 -8.638) 8.973 30.147 ( -3.830 0.000 17.685) 18.095 30.357 ( -2.397 0.000 7.874) 8.231 31.304 ( 6.488 0.000 3.746) 7.492 31.365 ( -3.444 0.000 -1.274) 3.672 31.752 ( -7.902 0.000 4.540) 9.113 32.264 ( 11.351 0.000 -3.703) 11.939 34.295 ( 16.969 0.000 -22.887) 28.491 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 23.812 0.000 13.309) 27.279 1.249 ( 14.329 0.000 29.591) 32.878 2.195 ( 44.571 0.000 11.082) 45.928 2.360 ( 11.247 0.000 -18.450) 21.608 2.833 ( 11.417 0.000 -5.540) 12.691 3.217 ( 14.578 0.000 5.424) 15.554 3.295 ( -1.564 0.000 0.363) 1.606 3.583 ( 0.591 0.000 -4.778) 4.815 3.651 ( 17.075 0.000 -0.446) 17.081 3.848 ( -7.211 0.000 -0.734) 7.249 3.984 ( 11.474 0.000 10.327) 15.436 4.428 ( -3.234 0.000 -4.197) 5.298 4.633 ( 10.911 0.000 10.455) 15.111 4.922 ( -8.686 0.000 11.621) 14.508 5.196 ( 2.752 0.000 2.763) 3.899 5.219 ( 3.797 0.000 1.249) 3.997 5.439 ( -0.004 0.000 6.541) 6.541 5.515 ( 3.210 0.000 -5.483) 6.353 5.821 ( 7.978 0.000 -4.575) 9.197 5.940 ( 6.896 0.000 11.881) 13.737 6.240 ( -4.391 0.000 -3.096) 5.372 6.258 ( 9.389 0.000 6.257) 11.283 6.703 ( 3.006 0.000 2.951) 4.212 6.903 ( 0.857 0.000 -4.777) 4.854 7.076 ( 6.688 0.000 -4.869) 8.273 7.126 ( 2.039 0.000 1.312) 2.425 7.213 ( -11.467 0.000 -2.369) 11.709 7.482 ( 4.028 0.000 -1.926) 4.464 7.701 ( -3.732 0.000 -8.193) 9.003 8.007 ( -0.362 0.000 -0.013) 0.362 8.091 ( -0.398 0.000 6.387) 6.400 8.460 ( -14.210 0.000 3.488) 14.632 8.581 ( 4.451 0.000 -20.669) 21.142 8.973 ( 8.158 0.000 -6.862) 10.661 9.311 ( 3.806 0.000 1.440) 4.069 9.416 ( -6.889 0.000 4.595) 8.281 11.337 ( 2.244 0.000 -2.729) 3.533 11.381 ( -2.979 0.000 -0.688) 3.057 11.742 ( 0.617 0.000 3.461) 3.516 12.053 ( -2.321 0.000 2.645) 3.519 13.693 ( -0.790 0.000 -3.690) 3.773 14.094 ( -3.746 0.000 -2.392) 4.444 14.305 ( -13.552 0.000 -2.847) 13.848 14.807 ( -10.355 0.000 -1.490) 10.462 15.224 ( -0.794 0.000 -2.897) 3.004 15.349 ( -2.015 0.000 3.972) 4.454 15.995 ( 0.207 0.000 -5.272) 5.276 16.139 ( -9.114 0.000 9.601) 13.237 16.228 ( 2.413 0.000 -13.382) 13.598 16.251 ( -0.180 0.000 8.152) 8.154 16.496 ( -10.957 0.000 11.329) 15.760 16.879 ( -2.162 0.000 -4.362) 4.868 18.257 ( 9.622 0.000 -0.288) 9.626 18.291 ( 7.469 0.000 -0.600) 7.493 18.659 ( 9.829 0.000 2.923) 10.255 18.697 ( 14.221 0.000 -18.867) 23.626 27.929 ( 2.312 0.000 1.475) 2.742 27.977 ( -0.001 0.000 -1.292) 1.292 28.122 ( 2.588 0.000 -2.313) 3.471 28.314 ( -2.186 0.000 -4.954) 5.415 29.082 ( 3.702 0.000 1.279) 3.917 29.239 ( 1.365 0.000 -1.459) 1.998 29.309 ( -0.186 0.000 -8.034) 8.036 29.834 ( -8.291 0.000 4.352) 9.364 30.004 ( -2.795 0.000 -7.336) 7.851 30.292 ( 1.523 0.000 10.011) 10.126 30.372 ( -5.593 0.000 5.936) 8.156 31.265 ( -5.850 0.000 -3.174) 6.655 31.494 ( 9.619 0.000 5.784) 11.224 31.675 ( -8.794 0.000 5.923) 10.603 32.436 ( 14.725 0.000 -3.373) 15.107 34.302 ( 7.036 0.000 -8.916) 11.358 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 21.065 0.000 10.910) 23.722 1.764 ( 11.349 0.000 24.003) 26.551 2.401 ( 14.161 0.000 -9.966) 17.316 2.738 ( 14.681 0.000 0.328) 14.684 2.948 ( 9.881 0.000 -5.352) 11.237 3.412 ( 14.382 0.000 5.305) 15.330 3.431 ( 4.620 0.000 -7.509) 8.816 3.542 ( 5.010 0.000 0.253) 5.016 3.711 ( -8.844 0.000 0.571) 8.862 3.790 ( 4.723 0.000 -2.073) 5.158 4.317 ( -5.402 0.000 -0.814) 5.463 4.389 ( 19.569 0.000 9.236) 21.639 4.874 ( 5.832 0.000 3.067) 6.589 4.926 ( -5.246 0.000 8.144) 9.687 5.215 ( 0.352 0.000 -1.929) 1.961 5.274 ( 1.548 0.000 5.372) 5.590 5.493 ( 2.198 0.000 -5.400) 5.830 5.573 ( 3.653 0.000 7.033) 7.925 5.890 ( 6.103 0.000 -5.314) 8.092 6.179 ( -0.082 0.000 -0.570) 0.576 6.206 ( 8.711 0.000 10.338) 13.519 6.476 ( 10.019 0.000 5.686) 11.520 6.817 ( 5.499 0.000 3.838) 6.706 6.822 ( -3.644 0.000 -6.383) 7.349 6.968 ( -9.277 0.000 -3.084) 9.776 7.120 ( -1.325 0.000 3.168) 3.434 7.171 ( 8.670 0.000 -5.566) 10.303 7.396 ( -5.657 0.000 -12.027) 13.291 7.632 ( 2.645 0.000 -0.021) 2.645 7.970 ( -2.695 0.000 -1.996) 3.354 8.211 ( -4.508 0.000 6.097) 7.583 8.369 ( 0.924 0.000 10.903) 10.942 8.453 ( 2.989 0.000 -13.307) 13.638 9.021 ( 6.834 0.000 -6.609) 9.507 9.313 ( -5.752 0.000 3.117) 6.542 9.428 ( 1.448 0.000 4.624) 4.845 11.316 ( 0.807 0.000 -5.172) 5.234 11.327 ( -2.818 0.000 -0.309) 2.835 11.780 ( -0.835 0.000 2.952) 3.068 12.065 ( -1.295 0.000 4.349) 4.538 13.636 ( -0.520 0.000 -4.324) 4.356 13.958 ( -7.883 0.000 -4.266) 8.963 14.048 ( -14.075 0.000 -2.369) 14.273 14.632 ( -9.152 0.000 -1.080) 9.216 15.218 ( 2.889 0.000 -1.315) 3.175 15.352 ( -2.895 0.000 3.314) 4.400 15.949 ( 1.318 0.000 -4.599) 4.784 16.052 ( -2.765 0.000 -6.360) 6.935 16.182 ( 1.690 0.000 -0.960) 1.944 16.345 ( -0.461 0.000 8.821) 8.833 16.449 ( -9.516 0.000 8.237) 12.586 16.785 ( -2.039 0.000 -5.912) 6.254 18.398 ( 6.752 0.000 -0.923) 6.815 18.404 ( 8.529 0.000 0.253) 8.533 18.699 ( 7.282 0.000 -10.527) 12.800 18.839 ( 8.396 0.000 2.456) 8.748 27.968 ( 0.023 0.000 -0.139) 0.141 27.988 ( 2.388 0.000 2.128) 3.199 28.134 ( 2.652 0.000 -3.012) 4.013 28.216 ( -2.201 0.000 -5.615) 6.031 29.162 ( 4.156 0.000 1.290) 4.351 29.198 ( 0.145 0.000 -6.443) 6.445 29.267 ( -0.512 0.000 0.501) 0.716 29.764 ( -4.913 0.000 1.896) 5.266 29.890 ( -2.347 0.000 -5.366) 5.857 30.328 ( -6.709 0.000 4.018) 7.820 30.414 ( 1.917 0.000 6.220) 6.509 31.116 ( -6.828 0.000 -4.405) 8.125 31.621 ( -6.229 0.000 5.365) 8.221 31.712 ( 8.916 0.000 5.570) 10.513 32.631 ( 12.969 0.000 -1.784) 13.091 34.311 ( 3.345 0.000 -3.852) 5.102 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 15.676 0.000 7.470) 17.365 2.138 ( 6.857 0.000 14.788) 16.300 2.526 ( 7.775 0.000 -2.250) 8.094 2.834 ( 4.409 0.000 -4.065) 5.996 2.993 ( 0.948 0.000 -0.137) 0.958 3.302 ( 1.278 0.000 -11.313) 11.385 3.537 ( -9.202 0.000 -1.141) 9.273 3.705 ( 3.718 0.000 3.388) 5.030 3.736 ( 15.454 0.000 2.260) 15.619 3.807 ( 0.832 0.000 -0.908) 1.232 4.264 ( -2.415 0.000 2.225) 3.283 4.682 ( 8.778 0.000 1.266) 8.869 4.855 ( -4.038 0.000 -4.011) 5.692 4.938 ( -2.259 0.000 3.971) 4.568 5.243 ( 3.221 0.000 -0.642) 3.285 5.370 ( 2.508 0.000 4.152) 4.851 5.475 ( 1.269 0.000 -1.362) 1.861 5.677 ( 1.346 0.000 4.720) 4.908 5.852 ( -0.452 0.000 -7.633) 7.646 6.213 ( 2.193 0.000 1.731) 2.794 6.403 ( 5.805 0.000 3.070) 6.567 6.701 ( 6.770 0.000 7.836) 10.356 6.728 ( -0.767 0.000 -0.824) 1.126 6.871 ( -1.908 0.000 -1.480) 2.415 6.929 ( 2.318 0.000 3.485) 4.185 7.129 ( 1.881 0.000 0.359) 1.915 7.180 ( -4.244 0.000 -8.652) 9.637 7.274 ( 7.911 0.000 -1.676) 8.086 7.685 ( 2.010 0.000 1.213) 2.348 7.888 ( -3.953 0.000 -2.212) 4.530 8.128 ( -5.111 0.000 -0.212) 5.115 8.343 ( -1.147 0.000 -8.051) 8.133 8.634 ( 5.857 0.000 17.003) 17.984 9.013 ( 3.272 0.000 -9.699) 10.236 9.266 ( -4.017 0.000 2.702) 4.841 9.510 ( 2.338 0.000 3.288) 4.034 11.259 ( -0.323 0.000 -4.243) 4.255 11.294 ( -1.185 0.000 0.186) 1.200 11.780 ( -1.966 0.000 1.414) 2.422 12.102 ( -0.158 0.000 3.393) 3.396 13.581 ( -0.463 0.000 -3.516) 3.547 13.792 ( -6.065 0.000 -3.409) 6.958 13.840 ( -8.830 0.000 -0.905) 8.876 14.507 ( -5.226 0.000 -0.496) 5.249 15.262 ( 2.871 0.000 -0.216) 2.879 15.337 ( -2.264 0.000 1.574) 2.757 15.931 ( 1.598 0.000 -2.796) 3.221 15.957 ( -1.069 0.000 -4.315) 4.445 16.225 ( 5.041 0.000 -1.480) 5.254 16.382 ( -8.700 0.000 5.362) 10.219 16.436 ( -0.517 0.000 8.322) 8.338 16.685 ( -1.278 0.000 -6.620) 6.742 18.473 ( 3.835 0.000 -0.773) 3.912 18.524 ( 5.434 0.000 1.118) 5.548 18.683 ( 2.529 0.000 -5.759) 6.290 18.967 ( 4.669 0.000 1.351) 4.860 27.977 ( 0.265 0.000 1.147) 1.177 28.047 ( 1.533 0.000 2.468) 2.905 28.125 ( -1.553 0.000 -4.552) 4.809 28.133 ( 1.665 0.000 -3.043) 3.469 29.139 ( -0.225 0.000 -3.268) 3.276 29.233 ( 2.951 0.000 0.840) 3.068 29.266 ( -0.410 0.000 0.349) 0.538 29.724 ( -2.131 0.000 0.697) 2.242 29.811 ( -1.392 0.000 -2.898) 3.215 30.270 ( -4.658 0.000 2.173) 5.140 30.491 ( 1.136 0.000 2.999) 3.207 30.974 ( -4.687 0.000 -3.247) 5.702 31.597 ( -3.076 0.000 3.087) 4.358 31.881 ( 5.267 0.000 3.366) 6.250 32.784 ( 7.559 0.000 -0.577) 7.581 34.318 ( 1.353 0.000 -1.421) 1.962 ======================= Grid point 5 (6/168) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -0.000 0.000 0.000) 0.000 2.286 ( -0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.280 ( -0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.407 ( -0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.736 ( -0.000 0.000 -0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 -0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.329 ( -0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.911 ( -0.000 0.000 -0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 -0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 11.768 ( 0.000 0.000 0.000) 0.000 12.123 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.765 ( -0.000 0.000 0.000) 0.000 14.462 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.327 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 16.291 ( 0.000 0.000 -0.000) 0.000 16.310 ( -0.000 0.000 0.000) 0.000 16.496 ( 0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 -0.000) 0.000 18.499 ( 0.000 0.000 0.000) 0.000 18.584 ( 0.000 0.000 0.000) 0.000 18.660 ( 0.000 0.000 0.000) 0.000 19.012 ( 0.000 0.000 0.000) 0.000 27.991 ( 0.000 0.000 0.000) 0.000 28.080 ( 0.000 0.000 -0.000) 0.000 28.080 ( 0.000 0.000 0.000) 0.000 28.123 ( 0.000 0.000 0.000) 0.000 29.118 ( 0.000 0.000 0.000) 0.000 29.263 ( 0.000 0.000 0.000) 0.000 29.264 ( 0.000 0.000 0.000) 0.000 29.711 ( 0.000 0.000 -0.000) 0.000 29.783 ( 0.000 0.000 0.000) 0.000 30.243 ( 0.000 0.000 0.000) 0.000 30.518 ( 0.000 0.000 0.000) 0.000 30.915 ( 0.000 0.000 0.000) 0.000 31.591 ( 0.000 0.000 0.000) 0.000 31.943 ( 0.000 0.000 0.000) 0.000 32.842 ( 0.000 0.000 0.000) 0.000 34.321 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/168) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 26.912 0.000) 26.912 0.739 ( 0.000 34.840 0.000) 34.840 1.321 ( 0.000 60.898 0.000) 60.898 2.622 ( 0.000 3.940 0.000) 3.940 2.624 ( 0.000 -2.322 0.000) 2.322 2.754 ( 0.000 -3.405 0.000) 3.405 3.215 ( 0.000 -0.944 0.000) 0.944 3.315 ( 0.000 1.950 0.000) 1.950 3.664 ( 0.000 -0.530 0.000) 0.530 3.742 ( 0.000 -0.459 0.000) 0.459 3.987 ( 0.000 3.341 0.000) 3.341 4.142 ( 0.000 -2.575 0.000) 2.575 4.577 ( 0.000 -1.967 0.000) 1.967 4.828 ( 0.000 -12.815 0.000) 12.815 4.915 ( 0.000 1.018 0.000) 1.018 5.234 ( 0.000 3.188 0.000) 3.188 5.304 ( 0.000 -4.595 0.000) 4.595 5.459 ( 0.000 -3.942 0.000) 3.942 5.717 ( 0.000 5.409 0.000) 5.409 5.730 ( 0.000 1.259 0.000) 1.259 5.964 ( 0.000 -1.230 0.000) 1.230 6.237 ( 0.000 7.516 0.000) 7.516 6.647 ( 0.000 -1.566 0.000) 1.566 6.941 ( 0.000 2.643 0.000) 2.643 6.998 ( 0.000 -2.198 0.000) 2.198 7.247 ( 0.000 1.057 0.000) 1.057 7.322 ( 0.000 -1.476 0.000) 1.476 7.493 ( 0.000 -5.982 0.000) 5.982 7.742 ( 0.000 -1.594 0.000) 1.594 8.005 ( 0.000 2.944 0.000) 2.944 8.205 ( 0.000 9.230 0.000) 9.230 8.678 ( 0.000 -5.876 0.000) 5.876 8.693 ( 0.000 -3.921 0.000) 3.921 8.950 ( 0.000 -4.712 0.000) 4.712 9.134 ( 0.000 0.701 0.000) 0.701 9.211 ( 0.000 0.560 0.000) 0.560 11.242 ( 0.000 -3.337 0.000) 3.337 11.539 ( 0.000 7.302 0.000) 7.302 11.617 ( 0.000 -5.643 0.000) 5.643 12.088 ( 0.000 0.385 0.000) 0.385 13.797 ( 0.000 3.743 0.000) 3.743 14.272 ( 0.000 4.477 0.000) 4.477 14.554 ( 0.000 -3.677 0.000) 3.677 14.995 ( 0.000 -3.037 0.000) 3.037 15.357 ( 0.000 3.632 0.000) 3.632 15.897 ( 0.000 -2.419 0.000) 2.419 16.051 ( 0.000 0.472 0.000) 0.472 16.086 ( 0.000 -1.346 0.000) 1.346 16.133 ( 0.000 -1.537 0.000) 1.537 16.432 ( 0.000 4.767 0.000) 4.767 16.528 ( 0.000 -2.217 0.000) 2.217 16.951 ( 0.000 -2.160 0.000) 2.160 17.794 ( 0.000 1.642 0.000) 1.642 18.057 ( 0.000 -0.864 0.000) 0.864 18.171 ( 0.000 1.540 0.000) 1.540 18.401 ( 0.000 -1.063 0.000) 1.063 27.937 ( 0.000 1.075 0.000) 1.075 27.984 ( 0.000 -0.170 0.000) 0.170 28.096 ( 0.000 -0.744 0.000) 0.744 28.386 ( 0.000 -2.944 0.000) 2.944 29.234 ( 0.000 1.436 0.000) 1.436 29.290 ( 0.000 -0.915 0.000) 0.915 29.986 ( 0.000 2.363 0.000) 2.363 29.995 ( 0.000 0.440 0.000) 0.440 30.323 ( 0.000 5.533 0.000) 5.533 30.368 ( 0.000 7.594 0.000) 7.594 31.192 ( 0.000 -3.299 0.000) 3.299 31.299 ( 0.000 -8.762 0.000) 8.762 31.645 ( 0.000 -0.378 0.000) 0.378 31.678 ( 0.000 -2.483 0.000) 2.483 31.903 ( 0.000 6.920 0.000) 6.920 32.615 ( 0.000 -3.883 0.000) 3.883 ======================= Grid point 12 (8/168) ======================= q-point: ( 0.10 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 12.326 23.409 18.492) 32.278 1.110 ( 24.938 23.485 14.230) 37.093 1.600 ( 31.031 42.448 9.374) 53.410 2.474 ( 5.155 1.179 -18.271) 19.021 2.713 ( 7.177 0.011 -0.219) 7.181 2.946 ( 10.164 0.207 7.734) 12.773 3.316 ( 14.619 -2.020 0.676) 14.773 3.360 ( 1.895 1.190 -0.847) 2.393 3.654 ( 2.138 2.716 -3.071) 4.624 3.761 ( 1.555 -2.173 2.399) 3.591 3.998 ( -0.994 3.756 2.455) 4.597 4.264 ( 8.282 -3.862 8.053) 12.181 4.569 ( -2.694 -1.235 -0.432) 2.995 4.837 ( 3.053 -9.528 -2.476) 10.307 4.913 ( -4.534 -1.166 9.970) 11.014 5.199 ( 1.595 -1.659 -2.587) 3.463 5.433 ( 1.746 -1.349 7.842) 8.146 5.485 ( 4.974 -3.950 -0.793) 6.401 5.723 ( -0.022 2.024 1.804) 2.712 5.795 ( 2.878 3.337 5.298) 6.891 6.065 ( 5.183 -10.510 1.935) 11.877 6.281 ( 4.786 8.088 0.185) 9.400 6.578 ( -6.303 -4.286 1.409) 7.751 6.899 ( -2.183 2.148 -2.061) 3.692 7.044 ( 0.953 -1.043 4.299) 4.525 7.229 ( 2.378 5.514 -5.699) 8.278 7.288 ( -1.228 0.525 -0.170) 1.346 7.414 ( 1.928 -0.970 0.836) 2.315 7.825 ( 2.047 -3.494 -2.604) 4.815 8.004 ( -0.677 1.806 -2.153) 2.891 8.173 ( -4.213 5.427 -1.000) 6.943 8.517 ( -9.757 -5.752 0.374) 11.332 8.856 ( 10.279 -0.790 -13.142) 16.704 8.977 ( -2.717 3.581 -4.562) 6.404 9.123 ( 16.002 -9.110 -6.523) 19.534 9.310 ( -2.721 -5.230 12.021) 13.389 11.264 ( 1.123 -3.239 1.449) 3.722 11.520 ( -2.620 5.878 -0.142) 6.437 11.638 ( 1.706 -4.230 1.334) 4.753 12.071 ( -1.704 0.221 0.130) 1.724 13.756 ( -3.449 2.751 -0.782) 4.480 14.214 ( -2.944 5.418 -2.361) 6.603 14.475 ( -8.236 -3.435 -1.758) 9.096 14.930 ( -6.729 -3.167 -1.397) 7.567 15.351 ( -0.787 3.948 -0.536) 4.061 15.569 ( -6.845 13.849 -15.022) 21.548 16.021 ( -2.643 -2.784 -1.950) 4.306 16.098 ( -3.916 -3.106 9.371) 10.621 16.167 ( -9.786 -1.598 14.458) 17.532 16.401 ( 2.003 5.044 -8.090) 9.742 16.510 ( -10.401 -2.799 10.479) 15.028 16.940 ( -0.889 -1.273 -2.417) 2.872 18.091 ( 9.179 -3.587 -1.148) 9.922 18.187 ( 12.249 -3.597 -4.781) 13.632 18.308 ( 29.246 -11.694 -7.746) 32.436 18.475 ( 7.132 -1.208 2.084) 7.528 27.902 ( -1.178 1.177 -1.082) 1.986 28.001 ( 0.873 0.272 -0.114) 0.921 28.099 ( 1.317 -0.929 -1.289) 2.064 28.361 ( -1.262 -2.624 -2.482) 3.826 29.235 ( -2.928 1.980 2.461) 4.307 29.252 ( 1.014 1.492 -5.433) 5.725 29.755 ( -1.806 14.897 -37.256) 40.165 29.968 ( -7.626 3.716 -0.007) 8.484 30.139 ( -20.212 9.258 5.142) 22.818 30.334 ( -7.364 9.112 8.674) 14.577 30.509 ( -12.194 15.415 8.296) 21.334 31.324 ( -3.555 -4.001 0.608) 5.386 31.359 ( 6.264 5.408 5.146) 9.745 31.708 ( -7.339 -3.692 4.084) 9.175 32.243 ( 12.588 -1.550 -4.268) 13.382 33.604 ( 42.687 -39.739 7.227) 58.768 ======================= Grid point 13 (9/168) ======================= q-point: ( 0.20 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 15.111 15.706 19.009) 28.920 1.568 ( 14.782 27.423 15.521) 34.806 2.293 ( 31.618 8.459 0.131) 32.730 2.433 ( 18.035 8.829 -9.194) 22.085 2.813 ( 8.690 -1.433 -3.548) 9.495 3.149 ( 3.888 -2.159 1.868) 4.824 3.419 ( 11.045 6.458 0.562) 12.807 3.604 ( 10.220 2.497 0.183) 10.522 3.706 ( 9.998 3.608 0.615) 10.647 3.813 ( 0.889 -1.190 1.960) 2.459 4.042 ( 2.814 3.626 7.883) 9.122 4.439 ( -2.074 -0.726 -2.494) 3.324 4.573 ( 8.754 -5.347 7.984) 12.998 4.850 ( -3.200 -6.828 5.721) 9.465 5.020 ( 2.368 -5.236 7.753) 9.650 5.169 ( -0.792 -4.504 -3.738) 5.906 5.558 ( 7.641 -2.219 -5.400) 9.616 5.569 ( 5.186 4.822 6.925) 9.904 5.762 ( 3.058 0.572 1.292) 3.369 5.970 ( 7.492 1.455 10.709) 13.151 6.092 ( -0.339 -10.124 -1.674) 10.267 6.368 ( 4.884 6.641 -0.553) 8.262 6.561 ( 0.060 -9.839 5.121) 11.093 6.859 ( 0.759 0.704 -2.185) 2.418 7.074 ( -3.563 -1.325 -0.380) 3.820 7.204 ( -1.904 3.786 -3.678) 5.611 7.266 ( 1.909 4.385 -0.897) 4.866 7.470 ( 3.728 -1.478 -2.245) 4.596 7.739 ( -3.269 2.717 -7.665) 8.765 8.002 ( 0.019 -0.439 2.291) 2.333 8.100 ( -2.480 0.872 2.517) 3.640 8.391 ( -6.780 -1.185 1.549) 7.055 8.748 ( -1.336 9.180 -13.544) 16.417 8.935 ( 6.692 -3.187 -7.657) 10.657 9.283 ( 5.814 -7.372 2.503) 9.717 9.357 ( -3.370 -0.796 5.537) 6.530 11.296 ( 1.465 -2.250 0.132) 2.688 11.459 ( -4.096 4.816 -0.996) 6.400 11.687 ( 1.656 -3.977 2.006) 4.752 12.050 ( -2.275 -0.433 1.995) 3.057 13.688 ( -2.786 0.339 -2.353) 3.663 14.126 ( -5.616 2.439 -3.246) 6.930 14.278 ( -12.612 -2.120 -2.271) 12.989 14.773 ( -9.980 -3.157 -1.805) 10.622 15.294 ( -1.395 5.516 -4.670) 7.361 15.436 ( -2.382 7.630 0.459) 8.006 15.957 ( -0.084 -3.213 -5.168) 6.086 16.118 ( -5.424 -1.715 6.022) 8.284 16.178 ( -0.618 -2.395 0.925) 2.641 16.331 ( -0.663 4.253 -2.566) 5.011 16.470 ( -9.927 -1.946 10.507) 14.585 16.875 ( -2.253 -0.743 -4.206) 4.829 18.225 ( 9.017 -2.063 -0.221) 9.253 18.309 ( 9.722 0.280 -2.242) 9.981 18.563 ( 17.760 -8.623 -11.699) 22.949 18.647 ( 9.700 -1.596 3.055) 10.294 27.894 ( 0.744 -0.995 -0.075) 1.245 28.009 ( 0.517 1.199 -0.046) 1.307 28.106 ( 2.059 -1.436 -2.286) 3.395 28.296 ( -1.815 -1.701 -4.219) 4.898 29.183 ( -0.963 3.759 -1.906) 4.323 29.247 ( 1.136 0.727 -1.711) 2.179 29.429 ( -1.316 11.428 -13.748) 17.927 29.867 ( -7.928 2.307 3.850) 9.110 29.978 ( -5.543 0.972 -3.822) 6.803 30.354 ( -3.370 4.306 4.723) 7.226 30.502 ( -3.860 10.955 8.635) 14.473 31.236 ( -5.895 -2.393 -2.021) 6.675 31.587 ( 9.941 7.672 7.983) 14.880 31.631 ( -7.695 -3.884 5.596) 10.277 32.403 ( 14.203 -2.423 -4.854) 15.204 34.023 ( 14.730 -22.911 -1.811) 27.297 ======================= Grid point 14 (10/168) ======================= q-point: ( 0.30 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 14.857 11.494 15.717) 24.492 1.958 ( 12.182 20.739 14.469) 28.068 2.452 ( 14.792 4.193 -8.311) 17.478 2.754 ( 9.000 0.564 -2.254) 9.295 2.990 ( 15.141 5.414 -3.672) 16.494 3.179 ( 5.291 -8.500 1.404) 10.110 3.565 ( -3.853 4.594 -6.067) 8.530 3.620 ( 6.629 4.489 -1.663) 8.176 3.851 ( 3.486 4.790 0.519) 5.947 3.903 ( 8.529 15.270 4.848) 18.150 4.283 ( 2.480 -3.450 5.065) 6.611 4.390 ( 8.687 -0.502 3.618) 9.424 4.783 ( 5.324 -7.729 1.302) 9.475 4.876 ( -2.991 -8.280 8.212) 12.039 5.092 ( -2.001 -4.957 2.659) 5.971 5.153 ( 5.429 -3.386 -1.869) 6.666 5.588 ( 4.267 3.540 -5.753) 7.990 5.730 ( 4.423 3.768 6.057) 8.393 5.853 ( 6.909 1.165 -0.010) 7.007 6.066 ( -0.298 -6.988 0.139) 6.996 6.240 ( 8.000 -1.817 10.956) 13.687 6.380 ( -0.016 -3.585 -4.177) 5.505 6.689 ( 6.418 -7.686 7.559) 12.545 6.836 ( -5.926 -5.120 -2.132) 8.116 6.936 ( 1.122 5.629 -2.585) 6.295 7.167 ( -2.495 0.882 -0.190) 2.653 7.309 ( 5.900 8.541 -3.432) 10.934 7.397 ( -3.729 0.561 -9.488) 10.209 7.660 ( 0.861 2.667 -0.552) 2.856 8.017 ( -1.289 3.794 0.547) 4.044 8.140 ( -1.113 -3.356 4.226) 5.510 8.390 ( 0.460 1.582 9.088) 9.236 8.575 ( -0.898 8.451 -12.379) 15.016 8.959 ( 5.765 -5.322 -6.483) 10.178 9.319 ( -6.765 -1.856 7.319) 10.138 9.421 ( 6.048 0.806 1.498) 6.282 11.302 ( 1.011 -0.857 -3.074) 3.347 11.380 ( -4.313 4.302 -0.173) 6.094 11.724 ( 0.010 -4.530 1.760) 4.860 12.049 ( -1.770 -1.613 3.503) 4.243 13.617 ( -1.817 -1.297 -3.473) 4.128 13.936 ( -11.688 -2.476 -4.433) 12.744 14.069 ( -10.064 2.475 -2.049) 10.565 14.602 ( -8.748 -2.807 -1.218) 9.267 15.255 ( 1.648 3.676 -2.412) 4.696 15.420 ( -2.140 5.839 1.895) 6.501 15.902 ( 1.482 -3.793 -6.266) 7.473 16.062 ( -2.996 0.450 -2.568) 3.971 16.175 ( 1.367 -1.026 -0.615) 1.816 16.356 ( -1.349 0.638 7.413) 7.561 16.429 ( -7.846 -1.140 6.709) 10.386 16.780 ( -2.289 -0.661 -5.634) 6.117 18.358 ( 7.307 -1.843 0.231) 7.540 18.434 ( 8.895 0.526 -2.260) 9.193 18.656 ( 8.962 -2.942 -7.733) 12.197 18.824 ( 8.102 -1.570 2.561) 8.641 27.915 ( 1.289 -2.357 0.544) 2.741 28.022 ( 0.534 0.934 0.763) 1.319 28.108 ( 1.706 -1.998 -2.690) 3.760 28.217 ( -1.284 -0.235 -4.741) 4.918 29.162 ( 0.841 0.241 -2.899) 3.028 29.238 ( 0.282 1.776 -1.123) 2.120 29.331 ( 0.655 6.163 -4.269) 7.525 29.801 ( -4.286 0.887 1.253) 4.552 29.863 ( -3.602 1.195 -3.291) 5.023 30.311 ( -6.314 0.235 2.698) 6.871 30.568 ( 0.178 11.562 6.294) 13.165 31.099 ( -6.725 -1.366 -3.566) 7.734 31.565 ( -5.981 -4.121 4.124) 8.353 31.859 ( 9.527 11.455 9.025) 17.419 32.565 ( 12.176 -5.326 -3.974) 13.872 34.157 ( 6.270 -13.876 -1.536) 15.304 ======================= Grid point 15 (11/168) ======================= q-point: ( 0.40 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 10.305 8.202 10.993) 17.156 2.267 ( 9.327 15.866 8.955) 20.467 2.600 ( 8.052 6.678 -1.554) 10.576 2.804 ( 5.091 -2.674 -3.662) 6.818 3.017 ( -1.586 2.718 -1.845) 3.648 3.352 ( 7.382 -0.397 -6.200) 9.648 3.427 ( -0.481 -4.492 -0.510) 4.546 3.617 ( -2.864 7.478 -1.757) 8.199 3.869 ( -0.103 5.884 -0.494) 5.906 4.101 ( 6.947 12.920 2.828) 14.939 4.288 ( -0.119 5.588 3.668) 6.685 4.603 ( 4.593 -9.315 0.214) 10.388 4.788 ( 1.687 -3.422 -2.806) 4.736 4.943 ( -0.437 -5.475 6.963) 8.869 5.077 ( -1.686 -9.768 0.051) 9.912 5.230 ( 5.096 -3.196 -1.724) 6.257 5.577 ( 1.404 5.982 -2.963) 6.822 5.803 ( 0.052 1.936 -0.081) 1.938 5.954 ( 5.201 8.000 0.163) 9.543 6.088 ( 0.576 -6.749 2.562) 7.242 6.288 ( -1.365 -7.063 -4.723) 8.605 6.415 ( 0.130 -15.758 4.971) 16.524 6.817 ( 2.986 4.122 5.471) 7.473 6.905 ( 8.885 -1.541 6.758) 11.269 7.011 ( 6.978 -0.718 -1.484) 7.170 7.086 ( -3.447 0.214 -1.617) 3.813 7.258 ( -3.892 6.489 -3.774) 8.455 7.360 ( 4.386 8.087 -3.033) 9.687 7.682 ( 0.901 0.509 0.351) 1.092 7.969 ( -2.838 6.918 -1.704) 7.669 8.141 ( -2.803 1.486 2.885) 4.288 8.390 ( -2.087 3.729 -9.186) 10.131 8.610 ( 4.086 -2.135 12.615) 13.432 8.947 ( 2.721 -5.140 -7.892) 9.803 9.303 ( -3.667 2.256 4.674) 6.355 9.527 ( 4.122 1.016 1.967) 4.678 11.253 ( -0.943 0.137 -3.967) 4.080 11.344 ( -1.279 4.104 1.078) 4.431 11.726 ( -1.392 -4.710 0.833) 4.982 12.068 ( -0.745 -3.306 2.751) 4.365 13.558 ( -0.580 -1.985 -3.074) 3.705 13.718 ( -9.174 -4.399 -2.604) 10.502 13.918 ( -5.862 4.920 -1.531) 7.805 14.481 ( -4.987 -2.447 -0.537) 5.581 15.271 ( 1.691 1.828 -0.455) 2.531 15.407 ( -1.285 5.610 0.724) 5.800 15.860 ( 1.068 -4.363 -4.386) 6.278 16.004 ( -0.751 1.970 -1.957) 2.877 16.211 ( 4.180 -1.362 -1.032) 4.516 16.362 ( -7.572 -1.766 4.885) 9.182 16.439 ( -0.402 0.419 6.988) 7.012 16.680 ( -1.523 -0.578 -6.175) 6.386 18.451 ( 3.938 -1.423 0.276) 4.197 18.528 ( 5.528 -0.487 -1.520) 5.754 18.685 ( 3.451 0.694 -3.718) 5.120 18.948 ( 4.498 -1.765 1.380) 5.025 27.946 ( 1.359 -2.493 1.417) 3.174 28.028 ( -0.559 -1.312 -0.657) 1.570 28.103 ( 0.600 -0.966 -0.577) 1.275 28.159 ( 0.218 0.820 -3.844) 3.936 29.134 ( 0.172 -0.095 -2.622) 2.630 29.241 ( 0.176 0.663 0.365) 0.777 29.319 ( 1.254 3.964 -1.350) 4.371 29.755 ( -1.503 -2.942 -1.264) 3.537 29.797 ( -2.104 5.125 -0.229) 5.545 30.245 ( -4.549 -1.184 1.510) 4.937 30.630 ( 0.569 11.468 3.153) 11.907 30.966 ( -4.618 -0.599 -2.768) 5.417 31.532 ( -2.974 -4.882 2.329) 6.173 32.070 ( 5.566 15.706 5.815) 17.649 32.682 ( 6.970 -9.126 -2.424) 11.737 34.211 ( 2.515 -9.970 -0.609) 10.300 ======================= Grid point 16 (12/168) ======================= q-point: (-0.50 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.000 5.309 0.000) 5.309 2.422 ( -0.000 15.535 -0.000) 15.535 2.624 ( 0.000 6.813 0.000) 6.813 2.847 ( 0.000 -0.201 0.000) 0.201 2.980 ( -0.000 0.467 0.000) 0.467 3.316 ( -0.000 3.134 0.000) 3.134 3.479 ( 0.000 -9.243 0.000) 9.243 3.565 ( 0.000 10.106 0.000) 10.106 3.861 ( 0.000 5.893 0.000) 5.893 4.164 ( 0.000 4.795 0.000) 4.795 4.334 ( -0.000 13.614 -0.000) 13.614 4.598 ( 0.000 -12.832 0.000) 12.832 4.797 ( -0.000 2.198 0.000) 2.198 4.994 ( 0.000 4.483 -0.000) 4.483 5.054 ( 0.000 -22.691 0.000) 22.691 5.258 ( 0.000 -3.683 0.000) 3.683 5.573 ( 0.000 6.791 0.000) 6.791 5.787 ( 0.000 3.038 0.000) 3.038 6.001 ( -0.000 10.500 0.000) 10.500 6.114 ( 0.000 -6.433 -0.000) 6.433 6.248 ( 0.000 -13.356 0.000) 13.356 6.436 ( 0.000 -17.248 0.000) 17.248 6.897 ( 0.000 8.338 0.000) 8.338 7.005 ( -0.000 -4.380 0.000) 4.380 7.063 ( 0.000 1.343 0.000) 1.343 7.119 ( 0.000 5.745 0.000) 5.745 7.179 ( 0.000 3.234 0.000) 3.234 7.365 ( -0.000 7.296 0.000) 7.296 7.690 ( -0.000 -0.870 0.000) 0.870 7.931 ( 0.000 7.725 0.000) 7.725 8.137 ( 0.000 5.278 0.000) 5.278 8.301 ( 0.000 2.047 0.000) 2.047 8.762 ( 0.000 -8.105 0.000) 8.105 8.886 ( 0.000 -1.572 -0.000) 1.572 9.304 ( 0.000 3.525 0.000) 3.525 9.575 ( 0.000 1.190 -0.000) 1.190 11.218 ( 0.000 0.254 0.000) 0.254 11.343 ( 0.000 4.229 0.000) 4.229 11.716 ( 0.000 -4.645 0.000) 4.645 12.079 ( 0.000 -4.162 0.000) 4.162 13.536 ( 0.000 -1.546 0.000) 1.546 13.623 ( -0.000 -5.361 0.000) 5.361 13.862 ( -0.000 5.606 0.000) 5.606 14.438 ( 0.000 -2.306 0.000) 2.306 15.283 ( 0.000 1.243 0.000) 1.243 15.401 ( 0.000 5.553 0.000) 5.553 15.842 ( 0.000 -4.429 0.000) 4.429 15.989 ( 0.000 2.189 0.000) 2.189 16.261 ( -0.000 -2.623 0.000) 2.623 16.307 ( 0.000 -0.303 0.000) 0.303 16.491 ( 0.000 -0.310 0.000) 0.310 16.617 ( 0.000 -0.359 -0.000) 0.359 18.484 ( 0.000 -1.120 0.000) 1.120 18.565 ( -0.000 -1.636 -0.000) 1.636 18.689 ( 0.000 2.477 0.000) 2.477 18.993 ( 0.000 -1.862 0.000) 1.862 27.988 ( 0.000 -4.542 0.000) 4.542 27.992 ( -0.000 -0.099 -0.000) 0.099 28.115 ( 0.000 -0.655 -0.000) 0.655 28.133 ( 0.000 1.269 0.000) 1.269 29.119 ( 0.000 0.205 0.000) 0.205 29.244 ( 0.000 -0.059 0.000) 0.059 29.324 ( 0.000 3.289 0.000) 3.289 29.734 ( 0.000 -4.161 0.000) 4.161 29.781 ( 0.000 6.520 -0.000) 6.520 30.215 ( 0.000 -1.562 0.000) 1.562 30.653 ( 0.000 11.429 0.000) 11.429 30.911 ( 0.000 -0.314 0.000) 0.314 31.522 ( 0.000 -5.164 0.000) 5.164 32.150 ( 0.000 17.696 0.000) 17.696 32.724 ( 0.000 -11.090 -0.000) 11.090 34.227 ( 0.000 -8.832 0.000) 8.832 ======================= Grid point 22 (13/168) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 25.630 0.000) 25.630 1.431 ( 0.000 31.273 0.000) 31.273 2.330 ( 0.000 9.646 0.000) 9.646 2.612 ( 0.000 19.536 0.000) 19.536 2.686 ( 0.000 2.743 0.000) 2.743 2.731 ( 0.000 5.975 0.000) 5.975 3.134 ( 0.000 -6.782 0.000) 6.782 3.386 ( 0.000 4.633 0.000) 4.633 3.703 ( 0.000 4.195 0.000) 4.195 3.731 ( 0.000 -0.814 0.000) 0.814 3.977 ( 0.000 -4.469 0.000) 4.469 4.086 ( 0.000 -2.300 0.000) 2.300 4.531 ( 0.000 -2.720 0.000) 2.720 4.578 ( 0.000 -10.255 0.000) 10.255 4.996 ( 0.000 5.749 0.000) 5.749 5.216 ( 0.000 -3.956 0.000) 3.956 5.275 ( 0.000 1.315 0.000) 1.315 5.387 ( 0.000 -1.456 0.000) 1.456 5.713 ( 0.000 -4.785 0.000) 4.785 5.768 ( 0.000 -1.106 0.000) 1.106 5.905 ( 0.000 -1.790 0.000) 1.790 6.293 ( 0.000 -4.116 0.000) 4.116 6.718 ( 0.000 7.672 0.000) 7.672 6.976 ( 0.000 -0.070 0.000) 0.070 7.042 ( 0.000 6.283 0.000) 6.283 7.247 ( 0.000 1.613 0.000) 1.613 7.268 ( 0.000 -3.839 0.000) 3.839 7.489 ( 0.000 5.959 0.000) 5.959 7.679 ( 0.000 -3.316 0.000) 3.316 8.077 ( 0.000 1.935 0.000) 1.935 8.355 ( 0.000 3.113 0.000) 3.113 8.480 ( 0.000 -12.054 0.000) 12.054 8.621 ( 0.000 -1.062 0.000) 1.062 8.849 ( 0.000 -4.569 0.000) 4.569 9.152 ( 0.000 0.945 0.000) 0.945 9.216 ( 0.000 -0.292 0.000) 0.292 11.196 ( 0.000 -0.839 0.000) 0.839 11.471 ( 0.000 -7.850 0.000) 7.850 11.708 ( 0.000 8.531 0.000) 8.531 12.079 ( 0.000 -1.636 0.000) 1.636 13.909 ( 0.000 6.955 0.000) 6.955 14.402 ( 0.000 7.740 0.000) 7.740 14.441 ( 0.000 -7.069 0.000) 7.069 14.902 ( 0.000 -5.785 0.000) 5.785 15.467 ( 0.000 6.877 0.000) 6.877 15.844 ( 0.000 -2.470 0.000) 2.470 15.996 ( 0.000 -3.948 0.000) 3.948 16.025 ( 0.000 -4.514 0.000) 4.514 16.189 ( 0.000 5.105 0.000) 5.105 16.470 ( 0.000 -3.125 0.000) 3.125 16.541 ( 0.000 5.486 0.000) 5.486 16.884 ( 0.000 -4.266 0.000) 4.266 17.842 ( 0.000 2.913 0.000) 2.913 18.028 ( 0.000 -1.936 0.000) 1.936 18.214 ( 0.000 2.502 0.000) 2.502 18.370 ( 0.000 -1.896 0.000) 1.896 27.976 ( 0.000 2.623 0.000) 2.623 27.983 ( 0.000 0.132 0.000) 0.132 28.073 ( 0.000 -1.235 0.000) 1.235 28.302 ( 0.000 -5.017 0.000) 5.017 29.261 ( 0.000 0.921 0.000) 0.921 29.273 ( 0.000 -0.583 0.000) 0.583 30.036 ( 0.000 3.444 0.000) 3.444 30.058 ( 0.000 3.995 0.000) 3.995 30.460 ( 0.000 7.262 0.000) 7.262 30.559 ( 0.000 10.116 0.000) 10.116 31.078 ( 0.000 -11.734 0.000) 11.734 31.096 ( 0.000 -5.904 0.000) 5.904 31.631 ( 0.000 -0.930 0.000) 0.930 31.635 ( 0.000 -1.665 0.000) 1.665 32.051 ( 0.000 7.211 0.000) 7.211 32.504 ( 0.000 -6.455 0.000) 6.455 ======================= Grid point 23 (14/168) ======================= q-point: ( 0.10 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 15.354 20.540 12.888) 28.700 1.596 ( 16.713 25.284 7.794) 31.295 2.337 ( 7.723 2.919 -9.296) 12.433 2.597 ( 4.425 10.516 -2.477) 11.675 2.749 ( 7.734 18.781 2.606) 20.477 2.964 ( 13.412 4.208 6.756) 15.595 3.239 ( 13.005 -5.555 2.820) 14.420 3.424 ( 5.026 4.661 -0.123) 6.856 3.720 ( 0.301 1.270 1.264) 1.816 3.759 ( 4.307 3.515 1.446) 5.744 3.998 ( 1.092 -3.618 1.653) 4.125 4.168 ( 6.039 -4.460 5.232) 9.151 4.520 ( -3.823 -3.321 1.897) 5.408 4.615 ( 4.182 -9.685 0.425) 10.558 5.001 ( -0.680 5.980 1.888) 6.308 5.171 ( 0.035 0.517 -3.959) 3.993 5.314 ( 3.385 -5.396 -0.049) 6.370 5.470 ( 4.188 -0.584 6.875) 8.071 5.717 ( 0.977 -5.532 -1.715) 5.874 5.811 ( 3.550 -2.602 3.430) 5.580 5.928 ( 0.272 -1.352 3.189) 3.475 6.277 ( -2.350 -6.201 0.909) 6.693 6.681 ( -2.818 9.972 0.226) 10.364 6.970 ( -0.405 2.158 -2.999) 3.717 7.057 ( 0.480 4.464 2.891) 5.340 7.270 ( -0.759 1.303 3.165) 3.506 7.322 ( 6.305 -0.407 0.568) 6.344 7.387 ( -2.970 2.758 -4.575) 6.111 7.768 ( 3.613 -2.201 1.677) 4.551 8.057 ( -0.581 1.502 -2.260) 2.775 8.242 ( -9.771 -0.115 -2.748) 10.151 8.426 ( -4.862 -3.558 1.619) 6.238 8.777 ( 14.416 -5.824 -5.875) 16.621 8.891 ( 5.720 -6.925 1.562) 9.117 9.083 ( -2.889 3.401 -6.554) 7.929 9.260 ( 0.831 -1.721 5.861) 6.164 11.217 ( 0.748 -0.960 2.332) 2.630 11.470 ( -2.050 -7.339 2.685) 8.079 11.708 ( 0.906 7.967 -1.462) 8.151 12.062 ( -1.507 -1.506 -0.547) 2.200 13.854 ( -5.670 6.413 -1.023) 8.621 14.325 ( -6.206 1.021 -4.145) 7.533 14.392 ( -5.865 -0.239 0.451) 5.887 14.837 ( -6.381 -5.711 -1.911) 8.774 15.467 ( -0.419 7.048 -0.001) 7.061 15.747 ( -0.015 3.751 -14.667) 15.139 15.956 ( -1.261 -3.272 -4.804) 5.948 16.038 ( 0.593 -3.833 2.134) 4.427 16.150 ( -11.857 1.777 13.726) 18.225 16.434 ( -8.718 -3.688 5.425) 10.910 16.522 ( -0.509 5.682 -1.923) 6.020 16.883 ( 0.690 -4.206 -2.730) 5.061 18.000 ( 16.549 -2.342 -3.300) 17.037 18.100 ( 10.993 -2.692 -2.947) 11.695 18.286 ( 8.365 2.118 1.032) 8.690 18.440 ( 7.060 -2.074 1.630) 7.537 27.936 ( -1.496 1.927 -1.658) 2.950 28.010 ( 0.909 0.725 0.530) 1.278 28.073 ( 0.812 -1.251 -1.110) 1.859 28.285 ( -0.911 -4.513 -1.455) 4.828 29.257 ( 0.288 -0.053 -3.022) 3.036 29.263 ( -0.123 0.765 0.309) 0.834 29.889 ( -3.368 4.011 -15.567) 16.425 30.013 ( -0.240 1.429 -11.251) 11.344 30.394 ( -13.217 12.048 -2.648) 18.079 30.503 ( -8.309 7.643 6.354) 12.955 30.766 ( -16.342 6.467 5.950) 18.555 31.191 ( -1.765 -8.540 6.278) 10.745 31.496 ( -0.187 5.520 4.576) 7.172 31.635 ( -5.790 -2.483 3.664) 7.288 32.240 ( 14.497 2.536 -4.826) 15.488 32.984 ( 34.385 -21.646 9.975) 41.838 ======================= Grid point 24 (15/168) ======================= q-point: ( 0.20 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 9.444 17.812 15.096) 25.186 2.032 ( 20.395 16.814 8.612) 27.800 2.381 ( 12.479 -0.372 -9.649) 15.779 2.682 ( 6.510 0.754 -1.334) 6.688 2.919 ( 13.506 17.831 -1.391) 22.412 3.191 ( 5.206 8.866 0.943) 10.325 3.486 ( 13.496 -0.877 0.156) 13.525 3.659 ( 19.395 1.934 5.853) 20.351 3.761 ( 0.249 5.259 4.247) 6.764 3.883 ( 7.396 3.920 4.607) 9.555 4.062 ( 4.574 -0.355 3.009) 5.486 4.364 ( 7.459 -6.316 5.513) 11.221 4.459 ( -2.330 -3.833 0.528) 4.516 4.669 ( 0.781 -9.247 -0.269) 9.284 5.038 ( 1.379 3.471 4.015) 5.484 5.144 ( 0.119 3.160 -1.073) 3.339 5.378 ( 7.461 -8.696 -3.466) 11.971 5.650 ( 7.788 -0.424 5.351) 9.458 5.713 ( 0.351 -7.233 1.792) 7.460 5.934 ( 1.545 -6.358 7.015) 9.593 5.991 ( 5.216 1.914 2.626) 6.145 6.275 ( -0.050 -7.127 3.879) 8.115 6.656 ( -1.434 10.418 0.740) 10.543 6.901 ( -1.250 2.884 -5.840) 6.632 7.082 ( -1.581 2.090 -1.270) 2.912 7.236 ( -6.991 0.843 2.131) 7.358 7.356 ( 4.304 0.857 -1.867) 4.769 7.450 ( 7.875 3.742 -1.911) 8.926 7.747 ( -2.795 -2.763 -3.559) 5.302 8.034 ( -3.742 4.545 2.481) 6.389 8.122 ( -0.865 0.118 2.271) 2.434 8.387 ( -2.909 -1.000 2.874) 4.210 8.822 ( 5.969 -3.206 -9.850) 11.955 8.915 ( -0.851 -0.648 -11.533) 11.583 9.087 ( 4.413 -4.901 8.423) 10.698 9.355 ( 3.105 -1.106 4.188) 5.330 11.262 ( 1.239 -0.838 2.108) 2.585 11.464 ( -4.352 -5.113 4.788) 8.246 11.696 ( 1.064 5.832 -3.464) 6.866 12.028 ( -2.470 -1.940 0.365) 3.162 13.732 ( -6.888 3.971 -1.979) 8.193 14.122 ( -12.512 -4.244 -4.498) 13.956 14.287 ( -6.852 4.377 -1.183) 8.217 14.682 ( -9.170 -5.352 -2.293) 10.862 15.432 ( -1.266 7.601 -4.147) 8.751 15.607 ( -0.878 7.688 -5.731) 9.629 15.879 ( -0.339 -3.982 -6.130) 7.318 16.066 ( 0.349 -4.256 0.240) 4.277 16.139 ( -5.677 -0.172 7.808) 9.655 16.351 ( -9.193 -2.950 6.983) 11.915 16.490 ( -1.778 4.710 -0.407) 5.051 16.834 ( -1.573 -3.390 -4.174) 5.602 18.185 ( 10.692 -1.572 -0.941) 10.848 18.266 ( 14.389 -3.692 -5.697) 15.910 18.470 ( 13.113 -0.197 -1.465) 13.196 18.604 ( 9.628 -2.435 2.622) 10.271 27.902 ( -0.568 1.404 -1.206) 1.936 28.021 ( 0.452 -0.141 -0.347) 0.588 28.074 ( 1.110 -0.955 -1.399) 2.026 28.245 ( -1.085 -3.188 -2.561) 4.231 29.218 ( 0.080 0.854 -4.008) 4.098 29.263 ( -0.056 0.369 -0.203) 0.425 29.629 ( -2.929 6.747 -16.529) 18.092 29.863 ( -2.772 -1.611 -8.476) 9.062 30.144 ( -14.817 12.053 4.488) 19.620 30.441 ( -7.526 3.501 1.621) 8.457 30.748 ( -2.684 11.678 10.405) 15.870 31.176 ( -6.059 -3.222 2.312) 7.241 31.535 ( -5.949 -4.403 2.751) 7.896 31.715 ( 8.823 1.495 10.576) 13.854 32.411 ( 14.699 5.745 -5.861) 16.835 33.511 ( 21.024 -24.176 4.662) 32.376 ======================= Grid point 25 (16/168) ======================= q-point: ( 0.30 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.183 11.986 14.960) 21.256 2.384 ( 13.453 15.050 6.227) 21.124 2.523 ( 14.625 2.079 -3.464) 15.173 2.744 ( 3.411 -0.389 -0.997) 3.575 3.106 ( 8.219 3.177 -1.954) 9.026 3.218 ( 7.026 13.325 -4.970) 15.862 3.585 ( 0.705 -1.614 -5.267) 5.554 3.809 ( 2.445 11.312 2.230) 11.786 3.910 ( 3.126 -1.005 5.451) 6.364 4.164 ( 3.756 3.906 -0.014) 5.419 4.199 ( 16.822 0.535 9.410) 19.282 4.379 ( 0.044 0.898 1.437) 1.695 4.566 ( 2.527 -9.943 -5.077) 11.447 4.696 ( 5.175 -7.303 7.999) 12.004 5.110 ( 4.730 0.298 -1.112) 4.868 5.145 ( -1.232 5.836 1.852) 6.245 5.464 ( 9.480 -10.795 -5.823) 15.502 5.692 ( -1.564 -7.657 1.435) 7.946 5.894 ( 8.217 0.184 7.489) 11.119 6.007 ( 1.139 -4.009 4.740) 6.312 6.125 ( 4.885 1.953 2.348) 5.761 6.377 ( 4.068 -4.631 5.489) 8.253 6.646 ( -1.438 6.332 -1.257) 6.613 6.774 ( -3.899 -0.581 -0.814) 4.025 7.024 ( 1.185 1.946 -3.744) 4.383 7.135 ( -6.216 -3.705 -2.653) 7.707 7.425 ( 1.918 2.273 1.403) 3.288 7.472 ( 5.938 6.866 -7.037) 11.485 7.731 ( 1.467 4.327 1.495) 4.807 8.069 ( 0.433 2.116 8.610) 8.877 8.156 ( -0.290 3.410 0.657) 3.484 8.410 ( -0.240 -0.224 5.570) 5.579 8.715 ( -2.522 2.957 -12.133) 12.741 8.838 ( 4.117 -5.300 -6.334) 9.228 9.228 ( 0.563 -4.098 8.982) 9.889 9.447 ( 4.777 -0.085 1.064) 4.895 11.290 ( 0.880 -0.073 -0.704) 1.129 11.447 ( -5.390 -0.274 6.311) 8.304 11.663 ( 0.556 1.281 -4.367) 4.585 11.995 ( -2.863 -3.599 1.345) 4.792 13.607 ( -5.197 0.729 -2.686) 5.895 13.857 ( -13.633 -4.857 -4.253) 15.084 14.152 ( -7.408 5.236 -1.935) 9.276 14.521 ( -7.970 -4.862 -1.485) 9.453 15.369 ( 0.533 7.020 -4.345) 8.273 15.566 ( -1.209 7.687 -0.288) 7.787 15.809 ( 1.345 -5.007 -7.243) 8.907 16.044 ( -1.464 -3.325 -1.647) 3.989 16.149 ( -1.417 -0.319 3.787) 4.056 16.325 ( -6.244 -3.293 8.685) 11.191 16.461 ( -1.450 3.962 0.180) 4.223 16.748 ( -2.199 -2.680 -5.177) 6.230 18.328 ( 7.930 -0.897 0.011) 7.980 18.407 ( 10.911 -2.771 -4.881) 12.270 18.629 ( 9.375 0.616 -2.146) 9.637 18.777 ( 8.026 -2.744 2.321) 8.794 27.891 ( 0.422 0.117 -0.444) 0.623 28.015 ( -0.057 -1.770 -1.264) 2.176 28.079 ( 0.893 -0.045 -0.336) 0.955 28.198 ( -0.489 -1.592 -3.120) 3.537 29.175 ( 0.341 1.071 -3.805) 3.967 29.256 ( -0.526 -0.037 -0.142) 0.546 29.462 ( -0.353 5.724 -8.353) 10.132 29.742 ( -1.923 -3.833 -6.078) 7.438 30.017 ( -7.640 10.140 3.339) 13.128 30.327 ( -7.855 0.680 0.926) 7.939 30.840 ( -0.168 13.599 7.953) 15.755 31.075 ( -6.774 -0.536 -1.172) 6.895 31.470 ( -4.950 -4.128 2.002) 6.749 32.009 ( 9.899 -3.180 12.348) 16.142 32.551 ( 11.432 9.471 -6.490) 16.202 33.792 ( 10.875 -20.036 1.926) 22.879 ======================= Grid point 26 (17/168) ======================= q-point: ( 0.40 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 5.960 7.449 10.422) 14.129 2.619 ( 9.116 12.952 3.901) 16.312 2.719 ( 9.779 -0.254 0.809) 9.816 2.781 ( 2.831 5.980 0.029) 6.616 3.105 ( -0.515 5.859 -2.884) 6.551 3.325 ( 8.316 3.497 -3.718) 9.757 3.469 ( -4.594 2.029 -5.632) 7.546 3.862 ( 1.960 14.519 -0.090) 14.651 3.969 ( -1.268 -0.145 3.905) 4.109 4.150 ( -2.894 -1.073 1.759) 3.552 4.364 ( -1.824 -8.590 -4.066) 9.677 4.487 ( 5.946 -14.996 2.016) 16.257 4.579 ( 6.540 9.341 3.256) 11.859 4.870 ( 4.578 0.809 3.253) 5.674 5.125 ( -4.191 5.710 3.053) 7.713 5.161 ( 6.474 -3.023 -5.793) 9.199 5.526 ( 5.896 -8.913 -5.187) 11.879 5.673 ( -2.881 -12.171 2.527) 12.760 6.047 ( 6.689 1.754 -1.488) 7.074 6.097 ( -0.024 -2.776 7.448) 7.948 6.179 ( 1.146 4.922 0.100) 5.055 6.320 ( -6.790 5.550 -5.612) 10.412 6.742 ( 7.360 -8.304 9.459) 14.581 6.894 ( 7.149 0.907 7.398) 10.328 6.950 ( -2.015 -5.655 -4.998) 7.811 7.090 ( 3.181 -0.075 -1.632) 3.576 7.423 ( -0.269 7.918 -2.049) 8.183 7.529 ( 4.225 6.435 -1.002) 7.763 7.756 ( -0.349 7.700 0.623) 7.733 8.116 ( -2.809 5.590 -1.202) 6.371 8.194 ( 1.268 3.599 8.707) 9.507 8.458 ( -0.329 1.601 -4.092) 4.406 8.554 ( -2.749 -2.429 -1.458) 3.948 8.846 ( 3.542 -4.304 -3.678) 6.678 9.314 ( -0.903 -0.878 6.490) 6.611 9.526 ( 4.195 -1.739 -0.203) 4.546 11.275 ( -0.410 2.067 -1.589) 2.640 11.446 ( -2.920 4.545 4.674) 7.143 11.621 ( -0.175 -3.891 -3.091) 4.973 11.968 ( -2.207 -6.124 0.996) 6.585 13.517 ( -2.024 -1.445 -2.299) 3.387 13.628 ( -9.471 -4.173 -2.517) 10.651 14.032 ( -4.747 5.983 -1.329) 7.752 14.407 ( -4.564 -4.558 -0.648) 6.483 15.350 ( 1.046 5.580 -1.803) 5.957 15.547 ( -0.944 7.636 -0.032) 7.694 15.759 ( 1.134 -5.399 -4.666) 7.225 16.007 ( -0.841 -2.545 -1.088) 2.893 16.181 ( 1.366 -0.633 1.604) 2.200 16.316 ( -4.893 -2.570 4.513) 7.135 16.464 ( -0.224 2.164 2.852) 3.587 16.655 ( -1.628 -1.961 -5.212) 5.801 18.428 ( 4.172 -0.680 0.401) 4.246 18.495 ( 6.009 -2.314 -3.153) 7.170 18.719 ( 4.511 2.320 -1.085) 5.187 18.898 ( 4.365 -2.956 1.243) 5.416 27.901 ( 0.832 -1.326 0.229) 1.582 27.993 ( -0.631 -2.249 -1.425) 2.737 28.094 ( 0.468 0.305 0.972) 1.121 28.161 ( 0.124 -0.522 -2.861) 2.910 29.144 ( 0.290 1.125 -2.315) 2.591 29.245 ( -0.584 -0.499 -0.021) 0.769 29.404 ( 0.743 4.095 -3.282) 5.300 29.664 ( -1.024 -4.603 -3.287) 5.748 29.965 ( -2.990 9.224 1.758) 9.854 30.232 ( -4.848 -0.285 0.549) 4.887 30.908 ( -0.666 13.176 4.769) 14.028 30.963 ( -4.141 1.158 -2.050) 4.763 31.431 ( -2.131 -3.473 0.903) 4.174 32.276 ( 6.265 -9.430 10.635) 15.533 32.611 ( 5.775 15.153 -6.874) 17.613 33.927 ( 4.712 -16.851 0.808) 17.516 ======================= Grid point 27 (18/168) ======================= q-point: (-0.50 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -0.000 5.383 0.000) 5.383 2.737 ( 0.000 13.025 0.000) 13.025 2.769 ( 0.000 0.254 0.000) 0.254 2.846 ( -0.000 5.547 -0.000) 5.547 3.077 ( -0.000 8.475 0.000) 8.475 3.365 ( 0.000 -0.485 0.000) 0.485 3.385 ( 0.000 2.925 0.000) 2.925 3.872 ( 0.000 17.132 0.000) 17.132 3.980 ( 0.000 1.395 0.000) 1.395 4.142 ( 0.000 -2.629 0.000) 2.629 4.305 ( 0.000 -12.123 0.000) 12.123 4.536 ( 0.000 -20.482 0.000) 20.482 4.675 ( 0.000 13.745 0.000) 13.745 4.911 ( -0.000 4.530 0.000) 4.530 5.109 ( -0.000 6.066 0.000) 6.066 5.178 ( 0.000 -5.176 -0.000) 5.176 5.538 ( 0.000 -7.701 0.000) 7.701 5.669 ( -0.000 -14.508 -0.000) 14.508 6.111 ( -0.000 -5.671 0.000) 5.671 6.113 ( 0.000 5.997 -0.000) 5.997 6.195 ( 0.000 6.812 -0.000) 6.812 6.221 ( 0.000 4.296 0.000) 4.296 6.878 ( 0.000 -9.234 0.000) 9.234 6.886 ( 0.000 -6.843 0.000) 6.843 7.073 ( 0.000 1.743 0.000) 1.743 7.093 ( -0.000 -2.371 -0.000) 2.371 7.391 ( 0.000 10.768 0.000) 10.768 7.557 ( 0.000 7.019 0.000) 7.019 7.750 ( -0.000 8.611 0.000) 8.611 8.081 ( 0.000 5.532 0.000) 5.532 8.305 ( 0.000 10.463 0.000) 10.463 8.332 ( 0.000 0.540 -0.000) 0.540 8.569 ( 0.000 -9.590 0.000) 9.590 8.853 ( 0.000 -2.157 0.000) 2.157 9.346 ( 0.000 0.443 0.000) 0.443 9.560 ( 0.000 -3.066 -0.000) 3.066 11.260 ( 0.000 3.711 0.000) 3.711 11.451 ( 0.000 6.236 -0.000) 6.236 11.599 ( 0.000 -6.074 0.000) 6.074 11.955 ( 0.000 -7.577 0.000) 7.577 13.497 ( 0.000 -1.933 0.000) 1.933 13.524 ( -0.000 -3.873 0.000) 3.873 13.985 ( 0.000 6.287 0.000) 6.287 14.367 ( 0.000 -4.462 0.000) 4.462 15.349 ( 0.000 4.992 0.000) 4.992 15.539 ( 0.000 7.582 0.000) 7.582 15.741 ( 0.000 -5.399 0.000) 5.399 15.995 ( 0.000 -2.440 0.000) 2.440 16.209 ( 0.000 -1.321 0.000) 1.321 16.293 ( 0.000 -1.129 0.000) 1.129 16.492 ( -0.000 0.559 0.000) 0.559 16.600 ( 0.000 -1.346 -0.000) 1.346 18.464 ( 0.000 -0.647 0.000) 0.647 18.524 ( -0.000 -2.134 0.000) 2.134 18.749 ( 0.000 3.004 0.000) 3.004 18.940 ( 0.000 -3.047 0.000) 3.047 27.913 ( 0.000 -2.346 0.000) 2.346 27.975 ( -0.000 -1.675 -0.000) 1.675 28.108 ( 0.000 0.170 -0.000) 0.170 28.142 ( 0.000 -0.145 0.000) 0.145 29.133 ( 0.000 1.210 0.000) 1.210 29.240 ( 0.000 -0.715 0.000) 0.715 29.393 ( 0.000 3.442 0.000) 3.442 29.637 ( 0.000 -4.722 0.000) 4.722 29.953 ( 0.000 8.961 0.000) 8.961 30.195 ( 0.000 -0.501 0.000) 0.501 30.913 ( 0.000 0.921 0.000) 0.921 30.932 ( 0.000 13.441 0.000) 13.441 31.420 ( 0.000 -2.954 0.000) 2.954 32.405 ( 0.000 -18.863 0.000) 18.863 32.602 ( 0.000 24.317 -0.000) 24.317 33.968 ( 0.000 -15.772 0.000) 15.772 ======================= Grid point 33 (19/168) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 23.414 0.000) 23.414 2.018 ( 0.000 24.754 0.000) 24.754 2.072 ( 0.000 -19.143 0.000) 19.143 2.443 ( 0.000 -15.836 0.000) 15.836 2.856 ( 0.000 5.985 0.000) 5.985 2.984 ( 0.000 -6.645 0.000) 6.645 3.413 ( 0.000 28.310 0.000) 28.310 3.496 ( 0.000 5.741 0.000) 5.741 3.672 ( 0.000 -2.972 0.000) 2.972 3.831 ( 0.000 7.941 0.000) 7.941 3.837 ( 0.000 -8.930 0.000) 8.930 4.022 ( 0.000 -6.357 0.000) 6.357 4.435 ( 0.000 -3.447 0.000) 3.447 4.442 ( 0.000 -4.346 0.000) 4.346 5.094 ( 0.000 2.770 0.000) 2.770 5.137 ( 0.000 -2.630 0.000) 2.630 5.369 ( 0.000 8.035 0.000) 8.035 5.413 ( 0.000 3.821 0.000) 3.821 5.566 ( 0.000 -7.913 0.000) 7.913 5.605 ( 0.000 -11.052 0.000) 11.052 5.983 ( 0.000 6.917 0.000) 6.917 6.147 ( 0.000 -8.323 0.000) 8.323 6.866 ( 0.000 6.094 0.000) 6.094 6.959 ( 0.000 -2.438 0.000) 2.438 7.109 ( 0.000 1.855 0.000) 1.855 7.174 ( 0.000 -4.440 0.000) 4.440 7.433 ( 0.000 12.407 0.000) 12.407 7.613 ( 0.000 -4.403 0.000) 4.403 7.689 ( 0.000 12.435 0.000) 12.435 7.972 ( 0.000 -12.625 0.000) 12.625 8.305 ( 0.000 -2.517 0.000) 2.517 8.327 ( 0.000 -3.222 0.000) 3.222 8.673 ( 0.000 4.269 0.000) 4.269 8.760 ( 0.000 -4.113 0.000) 4.113 9.173 ( 0.000 1.140 0.000) 1.140 9.199 ( 0.000 -1.194 0.000) 1.194 11.216 ( 0.000 2.923 0.000) 2.923 11.316 ( 0.000 -6.494 0.000) 6.494 11.879 ( 0.000 7.609 0.000) 7.609 12.011 ( 0.000 -4.901 0.000) 4.901 14.078 ( 0.000 8.991 0.000) 8.991 14.269 ( 0.000 -9.100 0.000) 9.100 14.579 ( 0.000 8.913 0.000) 8.913 14.758 ( 0.000 -7.997 0.000) 7.997 15.630 ( 0.000 8.326 0.000) 8.326 15.779 ( 0.000 -4.940 0.000) 4.940 15.928 ( 0.000 -2.164 0.000) 2.164 15.930 ( 0.000 -3.014 0.000) 3.014 16.301 ( 0.000 5.268 0.000) 5.268 16.398 ( 0.000 -3.975 0.000) 3.975 16.658 ( 0.000 5.801 0.000) 5.801 16.779 ( 0.000 -5.627 0.000) 5.627 17.909 ( 0.000 3.401 0.000) 3.401 17.977 ( 0.000 -2.965 0.000) 2.965 18.270 ( 0.000 2.745 0.000) 2.745 18.324 ( 0.000 -2.470 0.000) 2.470 27.993 ( 0.000 0.838 0.000) 0.838 28.012 ( 0.000 -0.418 0.000) 0.418 28.084 ( 0.000 3.641 0.000) 3.641 28.188 ( 0.000 -5.612 0.000) 5.612 29.268 ( 0.000 0.037 0.000) 0.037 29.270 ( 0.000 -0.004 0.000) 0.004 30.111 ( 0.000 2.812 0.000) 2.812 30.124 ( 0.000 1.678 0.000) 1.678 30.625 ( 0.000 8.842 0.000) 8.842 30.767 ( 0.000 9.598 0.000) 9.598 30.835 ( 0.000 -11.229 0.000) 11.229 30.951 ( 0.000 -7.963 0.000) 7.963 31.611 ( 0.000 -0.585 0.000) 0.585 31.613 ( 0.000 -0.679 0.000) 0.679 32.203 ( 0.000 7.424 0.000) 7.424 32.358 ( 0.000 -7.425 0.000) 7.425 ======================= Grid point 34 (20/168) ======================= q-point: ( 0.10 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 13.945 18.393 5.415) 23.708 2.096 ( 6.793 19.909 4.057) 21.424 2.155 ( 9.915 -12.587 -1.378) 16.082 2.465 ( 2.722 -13.132 2.373) 13.619 2.996 ( 11.310 4.987 2.518) 12.614 3.112 ( 13.795 -5.997 3.062) 15.351 3.460 ( 4.903 21.204 -0.727) 21.776 3.525 ( 5.619 4.713 -1.210) 7.433 3.705 ( 4.566 1.396 1.883) 5.133 3.863 ( -0.446 -0.418 6.291) 6.321 3.907 ( 9.325 1.439 -0.860) 9.475 4.079 ( 4.122 -6.035 3.921) 8.294 4.434 ( -2.293 -2.959 2.273) 4.380 4.460 ( 0.838 -5.613 1.681) 5.919 5.088 ( 1.132 3.110 -2.149) 3.946 5.162 ( 2.963 -3.448 -0.861) 4.627 5.335 ( 0.176 8.417 -3.408) 9.082 5.487 ( 2.629 2.148 6.552) 7.379 5.549 ( -1.104 -8.230 -0.558) 8.322 5.646 ( 0.746 -10.006 5.704) 11.542 6.002 ( 1.749 6.158 1.183) 6.510 6.142 ( -0.031 -6.810 0.202) 6.813 6.848 ( -1.847 6.393 0.716) 6.693 6.949 ( -0.606 -3.076 0.240) 3.145 7.150 ( 1.416 2.645 0.617) 3.063 7.223 ( 3.016 -4.841 1.188) 5.826 7.436 ( -1.906 11.372 0.049) 11.531 7.548 ( 3.423 6.359 -5.660) 9.176 7.730 ( -2.584 1.432 3.871) 4.869 7.952 ( 0.512 -12.190 1.329) 12.273 8.244 ( -5.743 2.289 -1.137) 6.286 8.327 ( -1.455 -5.254 -0.323) 5.461 8.728 ( 6.998 1.522 -2.108) 7.466 8.790 ( 5.102 -3.817 -3.811) 7.425 9.152 ( -1.220 3.194 -0.876) 3.529 9.214 ( 0.925 -2.733 2.573) 3.866 11.232 ( -0.063 2.570 2.731) 3.751 11.324 ( -1.006 -6.103 2.704) 6.750 11.872 ( -0.180 7.315 -1.203) 7.415 11.999 ( -0.925 -4.664 -0.954) 4.849 14.012 ( -6.882 8.514 -1.483) 11.048 14.194 ( -7.763 -8.555 -2.096) 11.741 14.529 ( -4.751 8.296 -1.449) 9.669 14.697 ( -5.721 -7.603 -1.937) 9.710 15.630 ( -0.205 8.028 -0.370) 8.039 15.757 ( 0.768 -2.871 -5.092) 5.896 15.902 ( 1.376 -1.136 -6.327) 6.573 15.937 ( 2.840 -4.373 -2.960) 5.996 16.238 ( -12.012 5.428 8.849) 15.876 16.346 ( -10.471 -4.706 6.830) 13.358 16.647 ( 0.572 6.176 -2.942) 6.865 16.774 ( 1.053 -5.930 -2.939) 6.702 18.001 ( 11.729 1.662 -2.397) 12.086 18.047 ( 9.716 -2.523 -2.170) 10.270 18.337 ( 7.337 2.617 1.045) 7.860 18.391 ( 7.078 -2.532 1.209) 7.614 27.974 ( -0.805 1.701 -1.552) 2.439 28.008 ( 0.006 -1.371 -0.975) 1.682 28.089 ( 0.394 3.357 0.134) 3.383 28.183 ( -0.351 -5.088 -0.429) 5.118 29.260 ( 0.478 0.333 -2.026) 2.108 29.267 ( 0.058 -0.227 -0.584) 0.629 29.971 ( -3.910 3.615 -13.666) 14.667 30.022 ( -2.552 -0.938 -13.226) 13.502 30.608 ( -8.574 7.176 -2.480) 11.452 30.636 ( -13.631 4.141 2.538) 14.470 30.841 ( -3.414 3.419 10.889) 11.913 30.991 ( -0.257 -9.906 10.579) 14.496 31.557 ( -4.355 1.706 1.019) 4.787 31.598 ( -4.162 -1.936 3.834) 5.981 32.372 ( 17.415 9.780 -0.757) 19.987 32.624 ( 23.736 -14.244 4.975) 28.125 ======================= Grid point 35 (21/168) ======================= q-point: ( 0.20 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 9.041 12.606 6.956) 17.001 2.255 ( 10.286 -3.755 -1.051) 11.001 2.381 ( 15.621 9.502 4.350) 18.795 2.587 ( 7.801 -7.704 2.697) 11.291 3.173 ( 8.936 9.535 -0.793) 13.092 3.375 ( 10.992 -8.304 2.705) 14.039 3.483 ( 3.189 10.631 -4.979) 12.165 3.646 ( 5.631 -5.787 0.896) 8.124 3.923 ( 15.622 10.708 5.995) 19.866 3.985 ( 5.428 6.559 8.965) 12.363 4.092 ( 14.155 2.187 -0.766) 14.344 4.227 ( 8.437 -6.478 4.425) 11.521 4.407 ( -4.084 -0.738 2.354) 4.771 4.490 ( -0.268 -7.770 1.768) 7.974 5.093 ( 3.338 3.343 -2.212) 5.216 5.200 ( 4.872 -5.662 -3.129) 8.098 5.311 ( -0.027 8.141 -0.786) 8.179 5.512 ( -1.865 -10.128 0.184) 10.300 5.658 ( 5.924 2.043 10.128) 11.910 5.762 ( 3.239 -7.774 9.341) 12.577 6.071 ( 4.661 4.732 2.048) 6.950 6.172 ( 2.468 -4.487 1.660) 5.383 6.827 ( -1.598 6.498 0.123) 6.693 6.923 ( -0.791 -1.964 -3.836) 4.382 7.133 ( -2.789 2.729 -3.139) 5.008 7.214 ( -4.534 -4.352 -3.511) 7.199 7.399 ( -0.281 7.304 2.172) 7.626 7.551 ( 0.295 -3.812 -5.125) 6.394 7.762 ( 4.474 11.628 5.191) 13.498 8.035 ( 2.121 -9.569 3.893) 10.546 8.167 ( -1.916 6.829 2.859) 7.647 8.306 ( -1.054 -6.275 2.685) 6.906 8.761 ( 3.807 -1.351 -8.042) 9.000 8.793 ( 2.108 -4.913 -6.375) 8.319 9.165 ( 2.308 6.804 2.592) 7.638 9.292 ( 3.819 -4.856 3.524) 7.112 11.271 ( 0.051 1.916 3.645) 4.118 11.345 ( -1.778 -5.096 4.677) 7.141 11.840 ( -1.250 6.858 -2.638) 7.454 11.961 ( -2.194 -4.573 -1.281) 5.232 13.846 ( -10.301 6.686 -2.669) 12.567 13.994 ( -12.517 -7.191 -3.544) 14.864 14.413 ( -7.016 6.910 -2.006) 10.049 14.556 ( -8.171 -6.654 -2.398) 10.807 15.596 ( -0.648 7.582 -4.666) 8.926 15.705 ( 1.428 -0.769 -5.789) 6.011 15.830 ( -0.195 1.881 -6.921) 7.174 15.942 ( 1.812 -6.808 -3.209) 7.742 16.180 ( -8.856 3.617 10.104) 13.914 16.268 ( -10.294 -4.424 9.654) 14.790 16.610 ( -0.348 6.221 -3.536) 7.164 16.737 ( -0.590 -5.685 -4.125) 7.049 18.172 ( 12.299 0.463 -2.273) 12.516 18.202 ( 13.112 -2.310 -3.803) 13.847 18.499 ( 10.649 2.205 0.785) 10.903 18.550 ( 9.917 -2.636 1.710) 10.403 27.941 ( -0.751 2.212 -1.775) 2.934 27.990 ( -0.209 -2.337 -1.797) 2.956 28.097 ( 0.470 2.781 0.011) 2.821 28.169 ( -0.277 -3.846 -0.917) 3.963 29.237 ( 0.320 1.031 -3.016) 3.203 29.257 ( 0.013 -0.783 -1.293) 1.512 29.740 ( -3.398 4.473 -14.179) 15.251 29.818 ( -3.146 -2.910 -12.285) 13.011 30.370 ( -14.455 8.419 1.871) 16.832 30.471 ( -11.497 -1.298 0.571) 11.584 30.963 ( -0.626 8.498 12.395) 15.041 31.097 ( -3.897 -4.750 9.947) 11.692 31.501 ( -2.636 2.380 -0.649) 3.610 31.626 ( 3.015 -7.717 3.985) 9.194 32.660 ( 17.765 16.520 0.234) 24.261 33.048 ( 20.607 -20.460 4.528) 29.390 ======================= Grid point 36 (22/168) ======================= q-point: ( 0.30 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 7.452 8.483 8.833) 14.336 2.424 ( 10.065 -5.347 2.152) 11.598 2.666 ( 13.207 7.400 3.774) 15.602 2.747 ( 8.606 -0.721 2.088) 8.885 3.263 ( 4.908 11.257 -1.894) 12.426 3.468 ( 3.864 7.807 -7.220) 11.315 3.497 ( 3.094 -5.776 -0.247) 6.558 3.689 ( -0.470 -12.477 1.485) 12.573 4.113 ( 1.568 11.022 5.123) 12.255 4.181 ( 7.669 1.471 -2.794) 8.294 4.258 ( 3.188 2.555 -1.328) 4.296 4.372 ( 0.913 -4.197 -2.186) 4.819 4.482 ( 11.325 1.317 6.652) 13.200 4.553 ( 7.844 -5.549 8.826) 13.047 5.146 ( 5.971 3.007 -3.123) 7.379 5.242 ( 5.465 -5.130 -4.736) 8.866 5.311 ( 0.271 5.429 0.274) 5.443 5.491 ( -2.825 -10.124 2.063) 10.711 5.898 ( 7.946 1.379 10.503) 13.242 5.939 ( 4.809 -1.982 7.275) 8.944 6.196 ( 6.780 2.190 3.067) 7.757 6.259 ( 5.379 -4.602 4.682) 8.487 6.796 ( -7.378 5.281 -8.565) 12.477 6.824 ( 2.177 4.052 -0.183) 4.603 7.000 ( -6.109 -2.072 -5.095) 8.220 7.049 ( -5.962 -4.574 -2.462) 7.907 7.477 ( 4.551 3.135 2.357) 6.008 7.537 ( 4.670 -1.386 -2.494) 5.473 7.906 ( 4.141 12.076 4.489) 13.533 8.095 ( 0.612 -3.346 5.401) 6.383 8.230 ( 0.723 5.377 5.362) 7.628 8.360 ( 0.880 -5.072 4.761) 7.012 8.696 ( -0.411 -1.464 -7.853) 7.999 8.732 ( 1.840 -4.929 -6.334) 8.235 9.253 ( 3.034 5.901 3.767) 7.630 9.388 ( 3.909 -5.489 1.558) 6.917 11.309 ( 0.081 2.133 2.699) 3.441 11.378 ( -1.647 -4.239 6.110) 7.617 11.769 ( -2.754 6.729 -4.111) 8.353 11.900 ( -3.520 -5.561 -1.391) 6.727 13.653 ( -9.125 3.644 -2.995) 10.272 13.748 ( -12.240 -5.225 -3.720) 13.818 14.275 ( -7.094 6.325 -1.871) 9.687 14.406 ( -7.372 -6.070 -1.721) 9.703 15.528 ( 0.498 7.717 -5.827) 9.683 15.667 ( 1.167 -4.148 -4.878) 6.508 15.758 ( -0.793 6.094 -3.729) 7.188 15.920 ( -0.385 -7.719 -2.092) 8.007 16.179 ( -4.125 2.756 7.009) 8.588 16.249 ( -5.671 -3.719 8.220) 10.656 16.561 ( -0.797 5.318 -2.984) 6.150 16.669 ( -1.427 -4.735 -4.476) 6.670 18.323 ( 9.233 0.496 -1.341) 9.343 18.351 ( 10.650 -2.147 -3.541) 11.427 18.663 ( 8.871 2.308 0.181) 9.168 18.718 ( 8.349 -2.843 1.418) 8.933 27.914 ( -0.347 1.879 -1.364) 2.348 27.963 ( -0.383 -2.728 -1.784) 3.282 28.104 ( 0.450 2.101 0.056) 2.150 28.154 ( 0.032 -2.473 -1.305) 2.796 29.205 ( 0.121 1.687 -2.955) 3.404 29.239 ( -0.302 -1.422 -1.398) 2.017 29.569 ( -1.373 4.713 -8.751) 10.034 29.660 ( -1.803 -4.094 -8.058) 9.217 30.212 ( -8.690 7.586 2.027) 11.712 30.315 ( -8.719 -2.405 0.629) 9.066 31.048 ( -4.556 4.627 7.405) 9.848 31.088 ( -6.428 0.782 5.595) 8.558 31.483 ( 1.531 8.311 -0.327) 8.457 31.768 ( 7.006 -15.711 4.859) 17.876 32.908 ( 12.701 20.990 0.391) 24.537 33.356 ( 12.980 -21.538 2.832) 25.306 ======================= Grid point 37 (23/168) ======================= q-point: ( 0.40 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 4.897 5.878 6.745) 10.200 2.598 ( 6.464 -5.663 3.777) 9.387 2.868 ( 7.622 6.481 2.720) 10.368 2.902 ( 7.408 3.103 2.123) 8.308 3.299 ( 2.624 12.851 -1.692) 13.225 3.435 ( 2.374 4.821 -6.978) 8.807 3.476 ( -2.462 -0.733 -2.771) 3.779 3.702 ( -0.804 -18.077 2.633) 18.285 4.132 ( -2.176 3.243 0.329) 3.919 4.211 ( 2.659 7.284 -3.725) 8.602 4.227 ( -2.773 -5.062 0.406) 5.786 4.317 ( -1.828 0.781 -1.771) 2.662 4.735 ( 8.416 3.523 6.131) 10.992 4.810 ( 8.312 -5.214 6.478) 11.757 5.170 ( 4.241 3.781 -6.499) 8.633 5.241 ( -1.385 2.427 -0.792) 2.905 5.334 ( 4.768 -4.484 -3.411) 7.381 5.447 ( -5.276 -9.116 1.336) 10.617 6.039 ( 2.314 2.072 1.683) 3.533 6.092 ( 4.613 -1.061 4.189) 6.321 6.315 ( 4.297 6.031 2.518) 7.821 6.424 ( 2.441 -1.085 3.007) 4.022 6.628 ( -1.316 2.268 -0.462) 2.662 6.786 ( -4.771 -9.107 -4.721) 11.313 6.956 ( 5.707 4.599 4.100) 8.398 7.050 ( 3.902 -3.743 -0.304) 5.415 7.554 ( 3.067 4.506 -0.070) 5.451 7.601 ( 4.057 0.393 -0.420) 4.097 7.977 ( 0.327 11.353 2.191) 11.567 8.144 ( -1.105 -3.517 1.530) 3.992 8.290 ( -0.744 5.290 6.125) 8.128 8.402 ( -1.595 -5.239 2.998) 6.243 8.590 ( -0.776 5.398 -6.849) 8.755 8.734 ( 3.511 -7.080 -1.934) 8.135 9.331 ( 1.560 3.657 3.085) 5.032 9.444 ( 2.284 -5.784 -0.305) 6.226 11.339 ( 0.394 4.024 2.057) 4.536 11.433 ( -0.316 -4.459 5.760) 7.291 11.667 ( -3.039 6.927 -4.738) 8.925 11.824 ( -3.528 -7.518 -1.534) 8.445 13.510 ( -4.757 0.847 -2.060) 5.252 13.551 ( -7.597 -3.000 -2.294) 8.484 14.163 ( -4.380 6.544 -1.089) 7.949 14.296 ( -4.333 -6.037 -0.841) 7.478 15.487 ( 0.819 7.171 -3.163) 7.881 15.632 ( 0.823 -6.385 -3.603) 7.377 15.720 ( -0.596 8.370 -1.141) 8.468 15.893 ( -0.575 -7.632 -0.986) 7.717 16.202 ( -1.150 2.249 3.866) 4.619 16.258 ( -2.831 -2.913 4.520) 6.077 16.525 ( -0.457 3.493 -1.225) 3.729 16.599 ( -1.128 -3.319 -3.752) 5.134 18.426 ( 4.887 0.497 -0.535) 4.942 18.450 ( 5.799 -1.784 -2.079) 6.413 18.773 ( 4.727 2.763 0.000) 5.476 18.834 ( 4.519 -3.063 0.735) 5.508 27.899 ( -0.011 1.098 -0.675) 1.289 27.940 ( -0.361 -2.546 -1.109) 2.801 28.113 ( 0.298 1.306 0.360) 1.387 28.141 ( 0.164 -1.271 -1.264) 1.799 29.178 ( 0.075 1.992 -1.790) 2.679 29.220 ( -0.341 -1.812 -0.881) 2.043 29.488 ( -0.093 4.042 -3.856) 5.587 29.573 ( -0.689 -4.176 -3.888) 5.748 30.133 ( -3.804 6.202 1.158) 7.367 30.215 ( -4.613 -1.915 0.375) 5.009 30.998 ( -4.813 3.388 1.189) 6.005 31.067 ( -4.015 -0.948 3.691) 5.536 31.526 ( 2.631 14.668 0.564) 14.912 31.916 ( 4.721 -20.183 3.323) 20.992 33.063 ( 6.379 23.378 0.158) 24.233 33.529 ( 6.139 -21.072 1.340) 21.989 ======================= Grid point 38 (24/168) ======================= q-point: (-0.50 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.000 5.306 0.000) 5.306 2.677 ( 0.000 -5.924 -0.000) 5.924 2.955 ( 0.000 6.908 0.000) 6.908 2.985 ( -0.000 3.843 -0.000) 3.843 3.312 ( -0.000 14.294 0.000) 14.294 3.406 ( 0.000 3.317 0.000) 3.317 3.420 ( 0.000 0.146 -0.000) 0.146 3.713 ( 0.000 -20.538 0.000) 20.538 4.105 ( 0.000 1.260 0.000) 1.260 4.206 ( 0.000 -8.139 -0.000) 8.139 4.208 ( -0.000 11.511 0.000) 11.511 4.296 ( 0.000 1.333 0.000) 1.333 4.843 ( 0.000 3.260 0.000) 3.260 4.915 ( 0.000 -4.662 0.000) 4.662 5.158 ( -0.000 5.428 0.000) 5.428 5.218 ( 0.000 3.819 -0.000) 3.819 5.377 ( 0.000 -10.605 -0.000) 10.605 5.380 ( -0.000 -6.866 0.000) 6.866 6.067 ( -0.000 2.939 0.000) 2.939 6.150 ( 0.000 -2.644 0.000) 2.644 6.368 ( 0.000 9.195 0.000) 9.195 6.417 ( 0.000 8.871 0.000) 8.871 6.666 ( 0.000 -8.763 0.000) 8.763 6.715 ( 0.000 -9.116 0.000) 9.116 7.072 ( 0.000 0.119 0.000) 0.119 7.081 ( -0.000 -0.456 -0.000) 0.456 7.574 ( 0.000 6.288 0.000) 6.288 7.632 ( 0.000 0.706 0.000) 0.706 7.986 ( 0.000 11.041 0.000) 11.041 8.129 ( 0.000 -1.851 0.000) 1.851 8.332 ( 0.000 0.311 0.000) 0.311 8.393 ( 0.000 -6.168 -0.000) 6.168 8.545 ( 0.000 11.707 -0.000) 11.707 8.758 ( 0.000 -7.716 0.000) 7.716 9.363 ( 0.000 2.465 0.000) 2.465 9.458 ( 0.000 -5.862 -0.000) 5.862 11.359 ( 0.000 5.432 0.000) 5.432 11.476 ( 0.000 -5.732 -0.000) 5.732 11.601 ( 0.000 8.086 0.000) 8.086 11.780 ( 0.000 -8.849 0.000) 8.849 13.466 ( 0.000 -0.855 0.000) 0.855 13.470 ( -0.000 -1.352 0.000) 1.352 14.121 ( 0.000 6.696 0.000) 6.696 14.256 ( 0.000 -6.078 0.000) 6.078 15.476 ( 0.000 6.804 0.000) 6.804 15.617 ( 0.000 -6.493 0.000) 6.493 15.709 ( 0.000 8.600 0.000) 8.600 15.882 ( 0.000 -7.580 0.000) 7.580 16.219 ( 0.000 1.689 0.000) 1.689 16.260 ( 0.000 -1.978 0.000) 1.978 16.518 ( -0.000 1.888 0.000) 1.888 16.563 ( 0.000 -2.172 -0.000) 2.172 18.462 ( 0.000 0.473 0.000) 0.473 18.484 ( 0.000 -1.600 0.000) 1.600 18.811 ( 0.000 2.970 -0.000) 2.970 18.874 ( 0.000 -3.151 0.000) 3.151 27.896 ( 0.000 0.636 0.000) 0.636 27.930 ( -0.000 -2.306 -0.000) 2.306 28.119 ( 0.000 0.738 -0.000) 0.738 28.133 ( 0.000 -0.581 0.000) 0.581 29.168 ( 0.000 2.058 0.000) 2.058 29.211 ( 0.000 -1.910 0.000) 1.910 29.467 ( 0.000 3.635 0.000) 3.635 29.546 ( 0.000 -4.024 0.000) 4.024 30.111 ( 0.000 5.534 0.000) 5.534 30.180 ( -0.000 -1.500 0.000) 1.500 30.964 ( 0.000 4.039 0.000) 4.039 31.054 ( 0.000 -2.616 0.000) 2.616 31.553 ( 0.000 16.675 0.000) 16.675 31.974 ( 0.000 -21.686 0.000) 21.686 33.114 ( 0.000 24.179 0.000) 24.179 33.585 ( 0.000 -20.795 0.000) 20.795 ======================= Grid point 77 (25/168) ======================= q-point: ( 0.00 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 14.029 0.000 27.328) 30.718 0.612 ( -6.378 0.000 31.182) 31.827 1.166 ( -14.072 0.000 58.313) 59.986 2.291 ( -6.393 0.000 -19.762) 20.770 2.628 ( 1.147 0.000 -0.362) 1.203 2.950 ( -0.745 0.000 10.682) 10.708 3.157 ( 4.909 0.000 -3.638) 6.110 3.331 ( -5.166 0.000 -0.763) 5.222 3.523 ( 2.520 0.000 -9.212) 9.550 3.757 ( 4.056 0.000 1.361) 4.279 3.981 ( -2.661 0.000 3.947) 4.760 4.255 ( 6.063 0.000 6.065) 8.575 4.552 ( -0.532 0.000 -3.015) 3.061 5.048 ( 3.806 0.000 -0.518) 3.841 5.078 ( 1.517 0.000 4.820) 5.053 5.290 ( -10.088 0.000 6.569) 12.038 5.389 ( 4.303 0.000 -1.372) 4.516 5.455 ( 3.339 0.000 -3.919) 5.149 5.765 ( 3.384 0.000 3.859) 5.133 5.858 ( -10.359 0.000 7.772) 12.951 6.050 ( 27.844 0.000 0.366) 27.846 6.389 ( -0.697 0.000 -4.579) 4.632 6.579 ( 4.042 0.000 1.342) 4.259 6.906 ( -2.228 0.000 -0.936) 2.417 7.116 ( -1.873 0.000 7.151) 7.392 7.223 ( 5.323 0.000 -0.648) 5.362 7.245 ( -50.957 0.000 1.162) 50.970 7.379 ( 2.206 0.000 0.012) 2.206 7.929 ( -6.073 0.000 -8.112) 10.134 7.930 ( 27.284 0.000 -7.347) 28.256 8.039 ( 11.621 0.000 0.496) 11.632 8.147 ( -1.793 0.000 5.413) 5.703 8.703 ( 8.953 0.000 -2.863) 9.400 8.975 ( 8.881 0.000 -2.940) 9.355 8.983 ( -15.176 0.000 3.933) 15.678 9.608 ( -9.439 0.000 -3.183) 9.961 11.266 ( 2.861 0.000 -5.440) 6.146 11.409 ( 1.492 0.000 -3.281) 3.604 11.717 ( 0.053 0.000 4.111) 4.112 12.094 ( -0.303 0.000 1.230) 1.267 13.766 ( -1.213 0.000 0.934) 1.530 14.114 ( 1.067 0.000 -2.132) 2.385 14.598 ( -3.258 0.000 0.300) 3.272 14.984 ( 2.370 0.000 -4.176) 4.802 15.320 ( -2.887 0.000 -1.355) 3.189 15.323 ( 2.161 0.000 0.301) 2.182 16.007 ( 0.999 0.000 -5.281) 5.375 16.167 ( 3.977 0.000 -13.648) 14.216 16.234 ( -0.384 0.000 6.934) 6.945 16.659 ( -10.077 0.000 6.574) 12.032 16.941 ( -0.435 0.000 -3.137) 3.167 17.002 ( 23.100 0.000 -2.223) 23.206 17.808 ( -21.157 0.000 1.292) 21.196 18.113 ( -6.410 0.000 4.411) 7.782 18.154 ( -0.354 0.000 -0.111) 0.371 18.414 ( 2.887 0.000 0.141) 2.890 27.874 ( 0.686 0.000 0.409) 0.799 27.929 ( 2.022 0.000 -0.683) 2.135 28.087 ( -0.239 0.000 -1.591) 1.609 28.384 ( -1.449 0.000 -3.426) 3.720 29.005 ( 0.671 0.000 0.447) 0.806 29.171 ( 1.298 0.000 -3.445) 3.682 29.335 ( -3.117 0.000 2.587) 4.051 30.067 ( 1.326 0.000 6.565) 6.698 30.092 ( -0.282 0.000 -9.318) 9.322 30.431 ( 0.488 0.000 7.485) 7.501 31.210 ( -16.693 0.000 -0.772) 16.710 31.331 ( -70.100 0.000 3.520) 70.188 31.409 ( -1.959 0.000 0.869) 2.143 31.722 ( 10.388 0.000 -6.309) 12.154 32.275 ( -10.744 0.000 7.768) 13.258 33.091 ( 82.511 0.000 -1.429) 82.524 ======================= Grid point 78 (26/168) ======================= q-point: ( 0.10 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 9.819 0.000 25.391) 27.223 1.279 ( 26.402 0.000 22.128) 34.449 1.746 ( 14.666 0.000 37.928) 40.665 2.049 ( 6.561 0.000 -20.923) 21.928 2.700 ( 4.940 0.000 0.275) 4.947 3.089 ( 6.515 0.000 6.174) 8.976 3.273 ( 3.491 0.000 -0.261) 3.501 3.358 ( 15.989 0.000 -2.076) 16.123 3.484 ( 4.559 0.000 -7.570) 8.837 3.892 ( 8.338 0.000 4.943) 9.693 3.955 ( -5.553 0.000 0.498) 5.576 4.402 ( 4.134 0.000 -0.311) 4.145 4.573 ( 4.886 0.000 5.503) 7.359 5.135 ( 3.625 0.000 3.111) 4.777 5.172 ( 3.807 0.000 2.335) 4.465 5.226 ( -11.249 0.000 11.641) 16.188 5.439 ( 1.651 0.000 -4.289) 4.596 5.470 ( 2.878 0.000 6.116) 6.759 5.788 ( -5.718 0.000 3.003) 6.459 5.941 ( 6.432 0.000 11.643) 13.302 6.173 ( 4.584 0.000 0.293) 4.593 6.276 ( -4.227 0.000 -6.090) 7.414 6.680 ( 4.397 0.000 -0.417) 4.417 6.865 ( -0.277 0.000 -3.167) 3.179 6.917 ( -1.468 0.000 -0.002) 1.468 7.216 ( -3.150 0.000 9.713) 10.211 7.304 ( 1.101 0.000 0.774) 1.345 7.411 ( 2.071 0.000 -2.200) 3.021 7.702 ( -6.838 0.000 -10.814) 12.794 8.000 ( 1.437 0.000 -2.418) 2.813 8.170 ( -2.347 0.000 7.885) 8.227 8.229 ( 17.267 0.000 -20.044) 26.456 8.743 ( -17.560 0.000 1.384) 17.614 8.796 ( 7.883 0.000 -3.842) 8.769 9.165 ( 13.815 0.000 -1.477) 13.894 9.478 ( -2.637 0.000 -3.579) 4.446 11.259 ( 3.624 0.000 -5.257) 6.385 11.382 ( 0.365 0.000 -4.045) 4.062 11.774 ( -0.055 0.000 5.475) 5.475 12.098 ( -1.136 0.000 1.802) 2.130 13.723 ( -4.303 0.000 0.472) 4.329 14.102 ( 0.091 0.000 -2.698) 2.700 14.483 ( -10.384 0.000 -0.824) 10.417 14.914 ( -4.909 0.000 -3.956) 6.304 15.238 ( -3.649 0.000 -2.517) 4.433 15.374 ( 2.095 0.000 1.408) 2.524 15.951 ( 0.072 0.000 -5.655) 5.655 16.065 ( 3.219 0.000 -13.771) 14.142 16.316 ( -0.060 0.000 8.119) 8.119 16.454 ( -18.808 0.000 5.812) 19.685 16.832 ( -18.145 0.000 11.304) 21.378 16.876 ( -1.971 0.000 -4.729) 5.123 18.144 ( 13.086 0.000 -2.397) 13.304 18.167 ( 23.233 0.000 -8.209) 24.641 18.187 ( 4.746 0.000 -0.376) 4.761 18.525 ( 8.970 0.000 1.640) 9.118 27.905 ( 2.002 0.000 1.311) 2.393 27.946 ( 1.845 0.000 -1.929) 2.669 28.073 ( 1.254 0.000 -2.226) 2.555 28.303 ( -1.919 0.000 -5.665) 5.981 29.041 ( 2.625 0.000 0.997) 2.808 29.159 ( 2.673 0.000 -5.343) 5.975 29.317 ( -2.754 0.000 2.392) 3.648 29.976 ( -1.258 0.000 -8.228) 8.323 30.117 ( -9.384 0.000 9.661) 13.468 30.484 ( -3.064 0.000 4.987) 5.854 30.537 ( -29.336 0.000 16.416) 33.617 31.342 ( -6.005 0.000 -1.203) 6.124 31.384 ( 8.939 0.000 4.441) 9.981 31.796 ( 1.806 0.000 0.225) 1.820 32.259 ( 2.124 0.000 2.970) 3.652 33.843 ( 36.933 0.000 -18.290) 41.214 ======================= Grid point 79 (27/168) ======================= q-point: ( 0.20 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 14.135 0.000 19.275) 23.902 1.843 ( 10.394 0.000 26.169) 28.158 2.048 ( 18.136 0.000 -12.876) 22.242 2.394 ( 27.691 0.000 10.943) 29.775 2.766 ( 5.264 0.000 -1.901) 5.597 3.267 ( 9.040 0.000 -1.684) 9.196 3.302 ( 4.736 0.000 -0.393) 4.752 3.471 ( 3.071 0.000 -4.353) 5.328 3.637 ( 13.801 0.000 0.297) 13.804 3.835 ( -6.532 0.000 -1.721) 6.755 4.153 ( 16.619 0.000 6.286) 17.768 4.386 ( -3.562 0.000 0.020) 3.562 4.771 ( 9.848 0.000 2.835) 10.248 5.122 ( -10.190 0.000 6.561) 12.120 5.211 ( -0.481 0.000 -0.404) 0.628 5.280 ( 2.917 0.000 6.066) 6.731 5.428 ( 1.509 0.000 -1.903) 2.429 5.600 ( 0.593 0.000 9.385) 9.403 5.771 ( 3.446 0.000 -2.340) 4.165 6.166 ( -1.091 0.000 -3.903) 4.052 6.171 ( 5.354 0.000 8.934) 10.415 6.342 ( 12.559 0.000 6.057) 13.943 6.750 ( 4.820 0.000 0.805) 4.887 6.812 ( -1.117 0.000 -4.410) 4.549 6.965 ( 8.747 0.000 -3.981) 9.611 7.139 ( -14.318 0.000 -4.104) 14.895 7.240 ( -5.767 0.000 6.835) 8.943 7.383 ( -3.532 0.000 -9.506) 10.141 7.570 ( 3.978 0.000 -2.606) 4.756 7.961 ( 0.694 0.000 -6.474) 6.511 8.254 ( 8.856 0.000 -9.707) 13.140 8.315 ( 1.690 0.000 14.046) 14.148 8.505 ( -10.957 0.000 1.497) 11.059 8.870 ( 6.371 0.000 -3.616) 7.326 9.282 ( 4.253 0.000 -4.504) 6.195 9.454 ( 2.808 0.000 0.421) 2.839 11.246 ( 2.504 0.000 -5.610) 6.144 11.330 ( -0.316 0.000 -4.571) 4.582 11.830 ( -1.108 0.000 5.301) 5.416 12.106 ( -0.683 0.000 2.186) 2.291 13.657 ( -4.213 0.000 0.115) 4.215 14.027 ( -4.826 0.000 -4.382) 6.518 14.270 ( -14.763 0.000 -0.708) 14.780 14.763 ( -8.474 0.000 -2.656) 8.881 15.181 ( 0.070 0.000 -1.407) 1.409 15.403 ( -0.499 0.000 1.027) 1.142 15.893 ( 0.868 0.000 -5.116) 5.189 15.965 ( 2.461 0.000 -10.667) 10.947 16.279 ( -10.291 0.000 3.615) 10.908 16.415 ( 0.167 0.000 8.680) 8.682 16.705 ( -13.361 0.000 8.236) 15.696 16.776 ( -2.701 0.000 -5.929) 6.516 18.278 ( 7.754 0.000 2.204) 8.061 18.281 ( 7.137 0.000 -0.443) 7.151 18.409 ( 18.242 0.000 -10.254) 20.927 18.705 ( 10.430 0.000 1.785) 10.581 27.953 ( 1.310 0.000 -0.947) 1.617 27.963 ( 2.765 0.000 1.941) 3.378 28.075 ( 2.098 0.000 -2.115) 2.979 28.202 ( -1.950 0.000 -6.204) 6.503 29.106 ( 3.895 0.000 1.060) 4.036 29.129 ( 1.598 0.000 -5.374) 5.607 29.310 ( -2.540 0.000 3.399) 4.243 29.872 ( -1.152 0.000 -6.411) 6.513 30.001 ( -17.118 0.000 11.070) 20.385 30.453 ( -5.741 0.000 2.288) 6.181 30.468 ( -3.328 0.000 7.646) 8.339 31.204 ( -7.823 0.000 -3.223) 8.461 31.598 ( 10.415 0.000 4.822) 11.477 31.771 ( -7.063 0.000 3.942) 8.088 32.411 ( 12.942 0.000 0.747) 12.964 34.077 ( 18.383 0.000 -12.764) 22.380 ======================= Grid point 80 (28/168) ======================= q-point: ( 0.30 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 13.931 0.000 13.967) 19.727 2.213 ( 2.493 0.000 19.748) 19.905 2.292 ( 20.063 0.000 -1.027) 20.090 2.732 ( 7.782 0.000 -0.707) 7.814 2.877 ( 11.222 0.000 -2.549) 11.508 3.197 ( -1.440 0.000 -14.902) 14.972 3.480 ( 16.411 0.000 2.194) 16.557 3.554 ( 5.117 0.000 1.714) 5.396 3.751 ( -3.917 0.000 1.367) 4.148 3.771 ( 3.870 0.000 0.993) 3.995 4.325 ( -4.185 0.000 0.936) 4.289 4.479 ( 16.409 0.000 0.489) 16.416 4.867 ( 1.593 0.000 -3.281) 3.647 5.035 ( -6.191 0.000 1.819) 6.453 5.189 ( 0.465 0.000 -0.615) 0.771 5.383 ( 0.810 0.000 5.681) 5.738 5.442 ( 1.509 0.000 0.169) 1.518 5.689 ( 2.179 0.000 3.264) 3.924 5.784 ( 1.261 0.000 -4.628) 4.797 6.156 ( 3.137 0.000 -2.491) 4.006 6.317 ( 6.857 0.000 1.078) 6.942 6.648 ( 9.430 0.000 11.903) 15.185 6.748 ( -1.710 0.000 -0.175) 1.719 6.841 ( 8.063 0.000 -2.208) 8.359 6.929 ( -6.892 0.000 -1.537) 7.062 7.084 ( 9.719 0.000 -2.668) 10.079 7.176 ( -4.625 0.000 -9.312) 10.397 7.211 ( -4.744 0.000 5.034) 6.917 7.653 ( 3.925 0.000 2.002) 4.406 7.893 ( -0.207 0.000 -5.918) 5.922 8.255 ( -10.106 0.000 0.393) 10.114 8.271 ( 3.124 0.000 -4.522) 5.496 8.672 ( 7.058 0.000 16.639) 18.074 8.899 ( 3.146 0.000 -4.708) 5.663 9.245 ( 1.771 0.000 -7.951) 8.146 9.536 ( 1.855 0.000 5.024) 5.356 11.217 ( 1.415 0.000 -4.139) 4.374 11.277 ( 0.622 0.000 -4.801) 4.842 11.848 ( -3.382 0.000 3.697) 5.010 12.121 ( -0.060 0.000 0.966) 0.968 13.600 ( -3.400 0.000 0.808) 3.495 13.867 ( -7.244 0.000 -4.877) 8.733 14.029 ( -14.459 0.000 0.524) 14.468 14.607 ( -7.889 0.000 -1.409) 8.014 15.210 ( 3.496 0.000 0.485) 3.529 15.380 ( -2.257 0.000 -0.870) 2.419 15.870 ( 2.594 0.000 -3.305) 4.201 15.911 ( 2.246 0.000 -5.066) 5.542 16.204 ( -3.088 0.000 1.379) 3.382 16.509 ( -0.714 0.000 7.156) 7.192 16.587 ( -11.278 0.000 5.071) 12.366 16.665 ( -2.248 0.000 -5.352) 5.805 18.388 ( 6.427 0.000 -0.038) 6.427 18.428 ( 7.724 0.000 1.967) 7.970 18.535 ( 10.133 0.000 -6.039) 11.796 18.874 ( 8.256 0.000 1.093) 8.328 27.969 ( 1.277 0.000 0.082) 1.279 28.028 ( 2.798 0.000 0.857) 2.926 28.092 ( 1.786 0.000 0.009) 1.786 28.111 ( -1.235 0.000 -4.708) 4.867 29.098 ( 1.304 0.000 -3.557) 3.789 29.181 ( 4.093 0.000 0.626) 4.141 29.309 ( -2.722 0.000 3.555) 4.478 29.798 ( -0.357 0.000 -4.113) 4.128 29.880 ( -12.583 0.000 9.247) 15.615 30.368 ( -6.274 0.000 -0.035) 6.275 30.511 ( -0.431 0.000 3.736) 3.761 31.043 ( -6.995 0.000 -3.148) 7.671 31.692 ( -6.630 0.000 1.796) 6.869 31.796 ( 8.306 0.000 2.964) 8.819 32.635 ( 11.970 0.000 2.289) 12.187 34.178 ( 11.178 0.000 -9.423) 14.620 ======================= Grid point 81 (29/168) ======================= q-point: ( 0.40 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 7.790 0.000 9.631) 12.387 2.347 ( -4.555 0.000 5.529) 7.164 2.532 ( 5.633 0.000 2.223) 6.055 2.812 ( 4.784 0.000 0.258) 4.791 2.963 ( 3.320 0.000 -1.314) 3.570 3.072 ( 9.633 0.000 -11.133) 14.722 3.567 ( -6.395 0.000 3.801) 7.439 3.741 ( 10.047 0.000 -0.734) 10.074 3.742 ( 0.887 0.000 0.060) 0.889 3.842 ( 3.589 0.000 4.086) 5.438 4.274 ( -2.406 0.000 -1.591) 2.884 4.648 ( 8.409 0.000 -3.887) 9.264 4.810 ( -2.500 0.000 -0.425) 2.536 4.978 ( -2.552 0.000 -0.363) 2.577 5.222 ( 3.939 0.000 -0.962) 4.055 5.429 ( -0.637 0.000 1.671) 1.788 5.469 ( 1.324 0.000 0.465) 1.403 5.702 ( 1.374 0.000 -8.031) 8.148 5.777 ( 0.842 0.000 5.663) 5.725 6.176 ( 4.840 0.000 -5.582) 7.388 6.421 ( 5.319 0.000 -0.253) 5.325 6.755 ( -1.746 0.000 2.220) 2.824 6.769 ( 1.704 0.000 -4.201) 4.533 6.866 ( -0.950 0.000 1.518) 1.791 6.989 ( 2.050 0.000 4.456) 4.905 7.083 ( 0.456 0.000 -0.460) 0.648 7.141 ( 3.525 0.000 1.205) 3.726 7.282 ( 5.411 0.000 1.975) 5.760 7.710 ( 0.647 0.000 1.255) 1.412 7.824 ( -0.567 0.000 -3.998) 4.038 8.137 ( -5.587 0.000 1.412) 5.763 8.266 ( 0.908 0.000 0.220) 0.934 8.791 ( 0.288 0.000 -10.560) 10.564 8.991 ( 1.346 0.000 16.876) 16.930 9.176 ( 2.757 0.000 -9.925) 10.301 9.595 ( -1.504 0.000 3.766) 4.055 11.214 ( 1.755 0.000 -0.094) 1.757 11.244 ( 2.399 0.000 -5.119) 5.653 11.814 ( -4.250 0.000 1.808) 4.618 12.115 ( -0.105 0.000 -2.222) 2.225 13.577 ( -1.846 0.000 3.016) 3.536 13.736 ( -3.043 0.000 -2.250) 3.785 13.853 ( -9.328 0.000 2.246) 9.594 14.494 ( -4.361 0.000 -0.828) 4.439 15.271 ( 2.305 0.000 1.116) 2.561 15.330 ( -1.408 0.000 -2.008) 2.452 15.898 ( 3.331 0.000 -0.461) 3.362 15.913 ( 1.741 0.000 -0.412) 1.789 16.205 ( 1.973 0.000 -0.053) 1.974 16.465 ( -9.789 0.000 2.844) 10.193 16.489 ( -2.326 0.000 -5.780) 6.230 16.651 ( -0.389 0.000 6.048) 6.060 18.475 ( 3.598 0.000 1.034) 3.743 18.549 ( 4.545 0.000 0.549) 4.578 18.611 ( 5.647 0.000 -0.856) 5.711 18.980 ( 4.123 0.000 -0.042) 4.123 27.979 ( 0.580 0.000 -1.663) 1.761 28.056 ( 1.623 0.000 -1.929) 2.521 28.077 ( 0.699 0.000 0.491) 0.854 28.136 ( 0.711 0.000 3.719) 3.787 29.095 ( 1.843 0.000 -1.189) 2.193 29.240 ( 2.680 0.000 -0.142) 2.684 29.304 ( -2.970 0.000 3.463) 4.563 29.770 ( 0.962 0.000 -1.408) 1.705 29.814 ( -8.635 0.000 8.224) 11.925 30.268 ( -4.081 0.000 -2.386) 4.727 30.528 ( -0.894 0.000 0.795) 1.196 30.938 ( -2.997 0.000 -0.426) 3.027 31.611 ( -3.533 0.000 -1.755) 3.945 31.911 ( 3.856 0.000 -0.267) 3.866 32.812 ( 5.574 0.000 3.542) 6.604 34.228 ( 7.859 0.000 -7.803) 11.075 ======================= Grid point 82 (30/168) ======================= q-point: (-0.50 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -11.647 0.000 -6.183) 13.187 2.210 ( -11.736 0.000 -0.638) 11.753 2.597 ( 0.850 0.000 4.740) 4.815 2.894 ( 5.409 0.000 -0.307) 5.418 2.978 ( -2.523 0.000 3.026) 3.940 3.227 ( 15.651 0.000 -3.451) 16.026 3.530 ( -4.812 0.000 8.638) 9.888 3.741 ( -1.269 0.000 -0.995) 1.612 3.807 ( 1.667 0.000 -0.479) 1.735 3.887 ( -4.659 0.000 0.825) 4.732 4.215 ( 0.179 0.000 -3.781) 3.785 4.697 ( 3.436 0.000 -4.407) 5.588 4.838 ( 2.420 0.000 4.513) 5.121 4.922 ( -2.506 0.000 -3.034) 3.935 5.263 ( 1.192 0.000 -0.173) 1.205 5.376 ( -2.285 0.000 -6.454) 6.847 5.512 ( -0.729 0.000 6.045) 6.089 5.646 ( 1.152 0.000 -5.356) 5.478 5.882 ( 2.834 0.000 7.113) 7.657 6.170 ( 3.320 0.000 -6.596) 7.384 6.449 ( -2.165 0.000 -1.619) 2.704 6.686 ( 0.425 0.000 -11.267) 11.275 6.734 ( -0.740 0.000 -0.121) 0.750 6.897 ( -1.703 0.000 5.738) 5.986 6.949 ( -5.272 0.000 -1.006) 5.367 7.169 ( 4.846 0.000 7.023) 8.533 7.194 ( -2.950 0.000 1.935) 3.528 7.354 ( 0.054 0.000 1.958) 1.959 7.705 ( -1.501 0.000 -0.362) 1.544 7.821 ( 4.397 0.000 -0.784) 4.466 8.109 ( -1.296 0.000 2.282) 2.624 8.348 ( 4.964 0.000 6.135) 7.892 8.600 ( -5.066 0.000 -14.317) 15.187 9.108 ( 5.434 0.000 -12.844) 13.946 9.150 ( -3.312 0.000 12.343) 12.780 9.565 ( -4.612 0.000 -0.117) 4.614 11.232 ( 3.640 0.000 -5.251) 6.390 11.272 ( 2.212 0.000 4.009) 4.579 11.778 ( -1.927 0.000 0.918) 2.135 12.065 ( -0.091 0.000 -5.752) 5.753 13.622 ( 0.214 0.000 6.873) 6.876 13.734 ( 3.429 0.000 1.357) 3.687 13.791 ( -1.724 0.000 2.467) 3.009 14.457 ( 0.863 0.000 -0.556) 1.027 15.296 ( -0.717 0.000 0.983) 1.217 15.299 ( 0.475 0.000 -2.076) 2.130 15.951 ( 2.415 0.000 1.078) 2.645 15.952 ( 1.722 0.000 2.299) 2.872 16.251 ( 4.125 0.000 -0.997) 4.244 16.351 ( -8.116 0.000 2.567) 8.513 16.374 ( -1.174 0.000 -8.464) 8.545 16.726 ( 0.117 0.000 6.613) 6.614 18.519 ( -0.479 0.000 2.080) 2.134 18.571 ( -1.017 0.000 -0.308) 1.062 18.709 ( 3.722 0.000 3.879) 5.375 18.999 ( -0.681 0.000 -1.397) 1.554 27.962 ( 0.461 0.000 -1.825) 1.882 28.043 ( -0.182 0.000 -2.093) 2.101 28.130 ( 2.066 0.000 3.923) 4.434 28.183 ( -0.879 0.000 4.170) 4.262 29.131 ( 2.669 0.000 1.388) 3.009 29.253 ( -0.345 0.000 -0.906) 0.970 29.297 ( -2.746 0.000 3.174) 4.196 29.791 ( -6.220 0.000 8.143) 10.247 29.798 ( 2.508 0.000 1.524) 2.934 30.199 ( 0.684 0.000 -4.410) 4.463 30.499 ( -2.102 0.000 -1.904) 2.836 30.947 ( 1.964 0.000 3.281) 3.824 31.543 ( -0.134 0.000 -4.894) 4.896 31.907 ( -1.485 0.000 -3.719) 4.004 32.881 ( -2.432 0.000 4.010) 4.690 34.254 ( 6.341 0.000 -6.916) 9.383 ======================= Grid point 83 (31/168) ======================= q-point: (-0.40 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -18.083 0.000 -10.136) 20.730 1.902 ( -21.510 0.000 -4.306) 21.937 2.632 ( -5.835 0.000 8.544) 10.346 2.934 ( -7.498 0.000 1.992) 7.758 2.983 ( 4.414 0.000 2.318) 4.986 3.412 ( 10.793 0.000 -1.291) 10.870 3.614 ( 0.228 0.000 3.505) 3.512 3.662 ( -16.895 0.000 -4.378) 17.453 3.668 ( -5.184 0.000 2.727) 5.858 3.843 ( -1.544 0.000 1.461) 2.125 4.236 ( 5.138 0.000 0.914) 5.218 4.573 ( -11.237 0.000 -9.903) 14.979 4.834 ( -0.730 0.000 -6.875) 6.914 4.908 ( -0.308 0.000 -0.538) 0.620 5.249 ( -2.030 0.000 0.525) 2.097 5.256 ( -2.161 0.000 -5.383) 5.800 5.575 ( -1.735 0.000 7.796) 7.987 5.581 ( -2.577 0.000 -5.316) 5.908 6.005 ( -0.709 0.000 8.484) 8.514 6.151 ( 2.622 0.000 -3.211) 4.145 6.280 ( -9.938 0.000 -9.038) 13.433 6.550 ( -4.497 0.000 -7.868) 9.062 6.780 ( 5.373 0.000 4.141) 6.783 6.848 ( -3.760 0.000 -3.805) 5.349 6.940 ( -0.893 0.000 5.519) 5.591 7.144 ( -4.768 0.000 2.456) 5.363 7.330 ( -5.583 0.000 3.430) 6.552 7.382 ( 7.900 0.000 11.491) 13.944 7.665 ( -2.447 0.000 -0.816) 2.580 7.913 ( 5.678 0.000 0.634) 5.714 8.123 ( 1.558 0.000 -1.860) 2.427 8.344 ( -6.088 0.000 -11.600) 13.101 8.531 ( 5.154 0.000 9.987) 11.238 9.066 ( 10.924 0.000 -16.236) 19.569 9.181 ( -6.404 0.000 7.600) 9.939 9.468 ( -4.892 0.000 -2.698) 5.586 11.247 ( 5.151 0.000 -3.939) 6.485 11.351 ( 0.914 0.000 4.189) 4.288 11.766 ( -0.733 0.000 -0.130) 0.744 12.000 ( 1.492 0.000 -6.402) 6.574 13.700 ( -2.349 0.000 7.851) 8.195 13.858 ( 7.976 0.000 3.237) 8.608 13.881 ( 9.313 0.000 3.151) 9.832 14.509 ( 6.304 0.000 -0.512) 6.325 15.277 ( -2.848 0.000 1.252) 3.111 15.292 ( 1.423 0.000 -1.985) 2.442 15.996 ( 3.767 0.000 -3.258) 4.981 15.999 ( -0.332 0.000 4.058) 4.072 16.268 ( 0.321 0.000 -8.714) 8.720 16.291 ( -4.149 0.000 5.269) 6.707 16.302 ( 2.901 0.000 -0.123) 2.904 16.802 ( 1.140 0.000 4.909) 5.039 18.503 ( -4.777 0.000 2.230) 5.271 18.523 ( -5.575 0.000 1.153) 5.693 18.808 ( 1.284 0.000 6.625) 6.749 18.928 ( -5.197 0.000 -2.725) 5.868 27.959 ( 0.799 0.000 -0.501) 0.943 28.005 ( -1.635 0.000 -1.823) 2.449 28.200 ( -2.437 0.000 3.396) 4.180 28.219 ( 2.584 0.000 4.662) 5.331 29.210 ( 3.414 0.000 3.878) 5.166 29.211 ( -3.138 0.000 -1.329) 3.407 29.290 ( -2.349 0.000 2.537) 3.458 29.803 ( -4.694 0.000 9.065) 10.208 29.881 ( 3.577 0.000 4.227) 5.537 30.190 ( 5.354 0.000 -5.792) 7.887 30.418 ( -3.589 0.000 -4.269) 5.577 31.060 ( 5.141 0.000 5.517) 7.541 31.498 ( 3.258 0.000 -6.843) 7.579 31.786 ( -6.082 0.000 -6.287) 8.747 32.833 ( -9.425 0.000 4.491) 10.440 34.273 ( 5.811 0.000 -6.366) 8.619 ======================= Grid point 84 (32/168) ======================= q-point: (-0.30 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -24.514 0.000 -6.295) 25.309 1.467 ( -26.807 0.000 -3.741) 27.067 2.648 ( -8.095 0.000 14.805) 16.874 2.706 ( -25.453 0.000 -2.898) 25.618 3.084 ( -0.761 0.000 7.237) 7.277 3.296 ( -15.787 0.000 -4.970) 16.551 3.420 ( -13.874 0.000 -5.513) 14.930 3.534 ( 6.664 0.000 -2.727) 7.200 3.786 ( 4.140 0.000 7.413) 8.491 3.812 ( -3.292 0.000 -0.977) 3.434 4.150 ( -21.136 0.000 -13.775) 25.228 4.379 ( 6.943 0.000 5.313) 8.743 4.740 ( -11.710 0.000 -10.097) 15.462 4.758 ( 2.852 0.000 -8.723) 9.178 5.197 ( -0.485 0.000 -2.423) 2.471 5.253 ( -0.056 0.000 1.660) 1.661 5.432 ( -6.618 0.000 -7.153) 9.745 5.624 ( -3.614 0.000 7.497) 8.322 5.994 ( -10.714 0.000 -10.266) 14.838 6.018 ( -7.750 0.000 7.808) 11.001 6.198 ( 2.838 0.000 2.487) 3.773 6.347 ( -8.750 0.000 -9.324) 12.787 6.741 ( -4.424 0.000 -2.948) 5.317 6.959 ( 0.538 0.000 7.196) 7.216 7.031 ( 11.799 0.000 2.380) 12.037 7.109 ( -3.512 0.000 1.956) 4.020 7.289 ( -6.367 0.000 6.523) 9.116 7.559 ( -3.494 0.000 2.180) 4.118 7.678 ( 6.203 0.000 5.074) 8.014 7.985 ( 2.695 0.000 -0.102) 2.697 8.057 ( -0.997 0.000 -4.499) 4.608 8.271 ( 5.938 0.000 -2.108) 6.302 8.713 ( 2.281 0.000 11.070) 11.303 9.095 ( 16.627 0.000 -17.423) 24.084 9.150 ( -7.190 0.000 6.830) 9.917 9.375 ( -2.392 0.000 -1.738) 2.957 11.302 ( 5.899 0.000 -2.092) 6.258 11.373 ( -1.082 0.000 -0.433) 1.166 11.740 ( -1.482 0.000 -1.275) 1.955 11.985 ( 3.454 0.000 -2.903) 4.512 13.739 ( -1.682 0.000 4.924) 5.203 14.021 ( 7.419 0.000 2.102) 7.711 14.116 ( 13.331 0.000 4.659) 14.122 14.638 ( 10.599 0.000 -0.753) 10.625 15.254 ( -1.839 0.000 2.256) 2.911 15.293 ( 1.212 0.000 -1.434) 1.878 15.976 ( 3.274 0.000 -9.235) 9.799 16.040 ( -0.568 0.000 4.702) 4.736 16.181 ( 0.728 0.000 -7.930) 7.963 16.318 ( 4.064 0.000 -4.373) 5.970 16.371 ( -1.795 0.000 13.231) 13.353 16.874 ( 2.111 0.000 2.922) 3.604 18.422 ( -7.847 0.000 1.583) 8.005 18.425 ( -9.304 0.000 2.452) 9.622 18.780 ( -8.427 0.000 -3.627) 9.175 18.907 ( -0.387 0.000 9.608) 9.616 27.954 ( -2.241 0.000 -1.495) 2.694 27.973 ( 0.933 0.000 0.208) 0.956 28.186 ( -3.196 0.000 2.131) 3.841 28.311 ( 2.555 0.000 4.006) 4.752 29.135 ( -4.113 0.000 -1.395) 4.344 29.276 ( -2.594 0.000 2.247) 3.432 29.325 ( 4.395 0.000 4.489) 6.282 29.857 ( -3.447 0.000 11.830) 12.322 30.004 ( 4.094 0.000 6.424) 7.617 30.219 ( 6.998 0.000 -7.005) 9.901 30.292 ( -5.247 0.000 -4.840) 7.138 31.207 ( 5.295 0.000 4.506) 6.952 31.498 ( 6.797 0.000 -6.680) 9.530 31.588 ( -8.447 0.000 -7.207) 11.104 32.703 ( -13.920 0.000 5.663) 15.028 34.291 ( 6.053 0.000 -7.182) 9.393 ======================= Grid point 85 (33/168) ======================= q-point: (-0.20 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -30.982 0.000 8.839) 32.218 0.995 ( -30.430 0.000 1.828) 30.485 1.999 ( -52.768 0.000 -6.653) 53.185 2.724 ( -6.809 0.000 18.257) 19.486 2.967 ( -17.657 0.000 7.144) 19.047 3.078 ( -18.094 0.000 -8.717) 20.085 3.283 ( 8.543 0.000 -2.676) 8.952 3.586 ( 5.126 0.000 -4.411) 6.763 3.626 ( -18.332 0.000 -2.502) 18.502 3.798 ( -1.829 0.000 -8.422) 8.619 3.926 ( 2.123 0.000 7.584) 7.876 4.396 ( -13.388 0.000 -11.329) 17.538 4.533 ( 4.649 0.000 3.651) 5.912 4.738 ( 6.119 0.000 -6.048) 8.604 5.168 ( -1.530 0.000 -0.091) 1.533 5.172 ( -10.018 0.000 -1.909) 10.198 5.328 ( 4.174 0.000 -5.162) 6.638 5.622 ( -6.548 0.000 5.593) 8.611 5.748 ( -5.869 0.000 -8.055) 9.966 5.978 ( -10.386 0.000 10.408) 14.704 6.060 ( -10.583 0.000 -13.489) 17.145 6.286 ( 4.708 0.000 2.342) 5.259 6.659 ( -2.685 0.000 -1.454) 3.054 6.983 ( -2.846 0.000 2.861) 4.036 7.067 ( -3.401 0.000 0.719) 3.476 7.204 ( 6.213 0.000 -2.878) 6.847 7.291 ( -5.572 0.000 11.122) 12.440 7.463 ( -4.485 0.000 -3.895) 5.940 7.836 ( 6.354 0.000 6.735) 9.259 8.001 ( -0.099 0.000 -0.115) 0.152 8.097 ( 1.719 0.000 4.524) 4.840 8.392 ( 11.942 0.000 -2.760) 12.257 8.843 ( 5.953 0.000 -1.851) 6.234 9.093 ( 6.811 0.000 -19.434) 20.593 9.129 ( -6.973 0.000 8.988) 11.376 9.439 ( 6.521 0.000 10.071) 11.998 11.324 ( -0.895 0.000 -4.037) 4.135 11.371 ( 4.655 0.000 -1.206) 4.809 11.699 ( -1.472 0.000 -1.089) 1.831 12.027 ( 3.204 0.000 0.052) 3.204 13.758 ( -0.515 0.000 1.243) 1.346 14.114 ( 3.038 0.000 -0.390) 3.062 14.374 ( 11.881 0.000 4.173) 12.592 14.805 ( 11.604 0.000 -1.972) 11.771 15.284 ( 1.427 0.000 3.108) 3.420 15.302 ( 0.597 0.000 0.647) 0.881 15.914 ( 2.274 0.000 -7.810) 8.134 16.084 ( 0.309 0.000 0.505) 0.592 16.116 ( 0.543 0.000 -2.261) 2.326 16.307 ( 3.343 0.000 -7.570) 8.276 16.521 ( -0.186 0.000 13.981) 13.982 16.932 ( 2.264 0.000 0.885) 2.430 18.292 ( -11.234 0.000 3.151) 11.668 18.305 ( -8.258 0.000 0.854) 8.302 18.596 ( -8.932 0.000 -3.600) 9.630 19.022 ( 0.638 0.000 9.497) 9.518 27.905 ( -1.889 0.000 -1.051) 2.162 27.986 ( 0.664 0.000 -0.664) 0.939 28.153 ( -2.925 0.000 0.753) 3.020 28.384 ( 1.790 0.000 2.332) 2.940 29.059 ( -3.350 0.000 -1.060) 3.514 29.255 ( -2.388 0.000 1.178) 2.662 29.432 ( 3.831 0.000 0.619) 3.881 29.969 ( -0.579 0.000 10.431) 10.447 30.153 ( 4.069 0.000 7.976) 8.954 30.194 ( -6.841 0.000 12.940) 14.637 30.232 ( 5.309 0.000 -8.391) 9.930 31.316 ( 4.565 0.000 1.127) 4.702 31.378 ( -7.478 0.000 -6.159) 9.687 31.558 ( 8.805 0.000 -5.077) 10.164 32.540 ( -15.673 0.000 7.398) 17.331 34.271 ( 6.387 0.000 -17.050) 18.207 ======================= Grid point 86 (34/168) ======================= q-point: (-0.10 0.00 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -29.084 0.000 17.780) 34.088 0.703 ( -33.318 0.000 21.403) 39.601 1.106 ( -56.244 0.000 23.274) 60.869 2.666 ( -16.347 0.000 -12.099) 20.338 2.759 ( -14.532 0.000 1.226) 14.584 2.844 ( -3.623 0.000 14.020) 14.481 3.217 ( -3.103 0.000 -8.511) 9.059 3.528 ( -0.659 0.000 -3.819) 3.876 3.587 ( 2.554 0.000 -6.828) 7.290 3.724 ( 1.218 0.000 -3.484) 3.691 4.000 ( -4.875 0.000 6.241) 7.920 4.162 ( -0.763 0.000 -3.291) 3.378 4.588 ( 0.553 0.000 -1.320) 1.431 4.892 ( 16.695 0.000 7.925) 18.481 5.049 ( -3.895 0.000 1.873) 4.322 5.158 ( -0.214 0.000 5.971) 5.975 5.351 ( 4.919 0.000 -4.263) 6.509 5.574 ( -7.598 0.000 -4.555) 8.858 5.583 ( -3.017 0.000 0.828) 3.129 5.775 ( -6.495 0.000 -4.196) 7.732 5.926 ( -11.386 0.000 10.423) 15.436 6.381 ( 4.888 0.000 -0.601) 4.925 6.606 ( -2.343 0.000 -1.820) 2.967 6.952 ( -3.235 0.000 0.763) 3.324 7.048 ( -0.853 0.000 3.286) 3.395 7.200 ( 1.260 0.000 -3.986) 4.180 7.380 ( -1.040 0.000 -2.153) 2.391 7.412 ( 4.265 0.000 15.712) 16.281 7.996 ( -0.944 0.000 1.156) 1.493 8.002 ( 4.279 0.000 2.612) 5.013 8.117 ( -3.059 0.000 2.449) 3.918 8.563 ( 12.552 0.000 -2.519) 12.803 8.595 ( -18.162 0.000 -50.708) 53.862 8.964 ( 1.903 0.000 -6.821) 7.081 9.108 ( -9.768 0.000 8.523) 12.964 9.705 ( 5.898 0.000 6.324) 8.647 11.282 ( 1.873 0.000 -3.875) 4.304 11.409 ( 2.551 0.000 -2.117) 3.315 11.685 ( -0.316 0.000 1.381) 1.417 12.071 ( 1.607 0.000 0.824) 1.806 13.750 ( 0.327 0.000 -0.979) 1.032 14.125 ( 0.670 0.000 -1.773) 1.896 14.560 ( 6.040 0.000 2.536) 6.550 14.938 ( 8.664 0.000 -3.514) 9.349 15.321 ( -0.195 0.000 0.208) 0.285 15.338 ( 0.679 0.000 1.535) 1.678 16.023 ( 15.159 0.000 23.812) 28.227 16.046 ( 1.392 0.000 -5.427) 5.603 16.165 ( 0.142 0.000 5.563) 5.565 16.254 ( 3.122 0.000 -10.059) 10.532 16.656 ( -2.108 0.000 11.531) 11.722 16.959 ( 1.274 0.000 -1.197) 1.748 18.157 ( -9.427 0.000 2.662) 9.795 18.200 ( -5.408 0.000 0.365) 5.420 18.444 ( -4.931 0.000 -2.209) 5.403 18.970 ( -13.629 0.000 -28.759) 31.825 27.875 ( -0.777 0.000 -0.418) 0.883 27.958 ( -1.856 0.000 -3.187) 3.688 28.116 ( -1.807 0.000 -0.537) 1.885 28.415 ( 0.318 0.000 -0.024) 0.319 29.011 ( -1.521 0.000 -0.358) 1.562 29.223 ( -1.763 0.000 -2.068) 2.718 29.402 ( -4.214 0.000 -4.329) 6.041 29.994 ( 0.887 0.000 0.907) 1.269 30.188 ( 2.093 0.000 -9.316) 9.548 30.307 ( 3.111 0.000 8.452) 9.006 30.807 ( 35.726 0.000 74.994) 83.069 31.238 ( -2.691 0.000 -2.954) 3.995 31.387 ( 3.103 0.000 0.561) 3.154 31.639 ( 9.482 0.000 -6.306) 11.388 32.388 ( -14.979 0.000 8.697) 17.321 33.762 ( -32.718 0.000 -73.494) 80.448 ======================= Grid point 87 (35/168) ======================= q-point: ( 0.00 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 12.958 20.280 17.713) 29.882 1.056 ( -3.947 25.526 25.186) 36.076 1.659 ( -11.578 42.631 32.893) 55.076 2.329 ( -6.041 2.812 -18.058) 19.248 2.656 ( -0.284 2.066 0.558) 2.158 2.925 ( 1.837 -2.399 10.372) 10.803 3.167 ( 2.929 0.017 -2.841) 4.080 3.324 ( -0.585 0.828 -1.755) 2.027 3.548 ( 4.343 2.050 -8.623) 9.870 3.727 ( 3.350 -1.892 -0.097) 3.849 4.047 ( -2.001 3.813 4.341) 6.114 4.211 ( 5.846 -3.910 5.481) 8.916 4.572 ( 0.048 0.829 -2.415) 2.554 4.779 ( 3.584 -13.790 2.251) 14.425 5.028 ( 1.388 -6.187 0.954) 6.412 5.214 ( -3.743 -0.103 5.726) 6.842 5.425 ( 0.299 -4.451 -0.833) 4.538 5.490 ( 1.138 1.427 6.245) 6.506 5.771 ( 0.406 0.983 4.112) 4.247 5.792 ( 3.705 -1.059 7.415) 8.357 6.042 ( -1.873 -1.315 4.001) 4.609 6.273 ( -2.171 3.738 3.222) 5.392 6.664 ( -0.234 -0.016 1.105) 1.130 6.915 ( -0.087 0.966 -1.532) 1.813 7.088 ( -0.396 -2.033 6.541) 6.861 7.233 ( -4.185 1.962 -2.033) 5.049 7.284 ( -0.783 -0.349 -1.461) 1.694 7.456 ( -8.515 -0.010 -1.544) 8.654 7.743 ( 4.943 -3.516 -2.010) 6.390 7.980 ( 1.165 1.688 -1.221) 2.387 8.223 ( -1.283 7.181 -2.231) 7.629 8.336 ( 10.643 7.749 -17.233) 21.687 8.676 ( 5.842 -2.654 -2.051) 6.737 8.934 ( 3.683 -3.502 -0.928) 5.166 9.031 ( -8.876 3.775 -0.888) 9.686 9.436 ( -5.075 -9.950 5.029) 12.249 11.227 ( 2.921 -2.463 -2.480) 4.555 11.502 ( 2.389 6.835 -3.719) 8.140 11.658 ( -0.864 -5.105 3.885) 6.473 12.081 ( 0.273 -0.727 -0.082) 0.781 13.805 ( -1.360 3.714 0.900) 4.056 14.206 ( 0.648 6.222 -4.713) 7.832 14.562 ( -3.003 -3.410 0.615) 4.586 14.960 ( 1.076 -2.921 -3.863) 4.961 15.353 ( 0.132 3.777 -0.576) 3.822 15.477 ( 1.068 8.922 -12.791) 15.631 15.969 ( 1.433 -3.244 -7.045) 7.888 16.111 ( 1.801 -3.544 -3.867) 5.546 16.298 ( 1.743 3.624 -0.286) 4.032 16.569 ( -3.025 -8.694 10.510) 13.971 16.752 ( 4.428 -7.786 12.916) 15.718 16.922 ( -2.032 -2.041 -2.840) 4.044 17.819 ( -10.996 1.383 2.146) 11.288 18.076 ( -2.696 -1.732 2.917) 4.333 18.180 ( -0.346 1.735 0.422) 1.819 18.402 ( 2.790 -1.137 0.102) 3.014 27.918 ( -1.907 1.189 -1.471) 2.686 27.971 ( 2.098 2.055 -0.910) 3.074 28.079 ( -0.270 -0.765 -1.638) 1.828 28.357 ( -1.020 -2.533 -2.947) 4.018 29.180 ( 2.097 1.089 -3.671) 4.366 29.324 ( -4.909 1.375 0.264) 5.105 29.473 ( 3.665 21.387 -23.124) 31.710 29.979 ( -0.670 -2.731 -3.077) 4.168 30.246 ( 0.390 8.831 -0.761) 8.872 30.500 ( -0.173 6.281 7.366) 9.682 31.164 ( -20.825 -4.294 -0.295) 21.265 31.310 ( 0.504 -1.636 1.938) 2.586 31.547 ( -32.036 7.572 -0.413) 32.921 31.731 ( -4.715 1.798 -6.199) 7.993 32.122 ( 12.846 -11.128 13.824) 21.908 32.821 ( 42.781 -14.150 10.378) 46.240 ======================= Grid point 88 (36/168) ======================= q-point: ( 0.10 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 6.995 23.167 20.802) 31.912 1.423 ( 28.445 12.478 15.044) 34.513 1.967 ( 7.086 17.140 16.920) 25.105 2.151 ( 6.252 14.229 -5.260) 16.408 2.719 ( 3.471 1.318 1.169) 3.893 3.076 ( 5.531 -0.953 5.049) 7.549 3.301 ( 3.592 2.047 -3.772) 5.597 3.346 ( 18.365 0.264 2.642) 18.556 3.565 ( 7.602 6.468 -5.644) 11.467 3.796 ( 3.014 -4.096 1.301) 5.249 4.079 ( -0.381 5.257 4.241) 6.765 4.384 ( 7.183 -2.920 2.109) 8.036 4.543 ( 0.911 -1.964 0.678) 2.269 4.894 ( 3.817 -14.066 6.149) 15.819 5.075 ( 0.921 -6.115 2.411) 6.638 5.215 ( -6.261 -1.593 7.073) 9.579 5.424 ( 3.371 -4.354 -4.628) 7.193 5.572 ( 1.595 4.961 8.331) 9.827 5.800 ( -4.092 0.939 5.454) 6.883 5.947 ( 5.811 -0.509 10.135) 11.694 6.071 ( 1.505 -7.247 -1.960) 7.657 6.305 ( 2.409 8.027 1.253) 8.474 6.643 ( -4.043 -4.843 4.560) 7.784 6.865 ( -3.109 1.357 -1.815) 3.848 7.078 ( 1.545 8.665 -7.478) 11.549 7.133 ( -1.747 -3.846 2.923) 5.137 7.341 ( -1.241 0.858 4.016) 4.290 7.420 ( 0.751 -0.193 0.057) 0.777 7.708 ( -1.419 1.396 -8.476) 8.706 8.007 ( 1.159 0.584 1.480) 1.968 8.140 ( -0.700 0.672 -6.903) 6.971 8.347 ( 7.621 5.309 -7.804) 12.131 8.750 ( 2.706 -3.147 0.452) 4.175 8.808 ( -8.452 4.337 -7.246) 11.948 9.120 ( 13.891 -4.774 0.529) 14.698 9.405 ( -1.373 -4.872 -1.170) 5.196 11.246 ( 3.170 -0.871 -3.081) 4.505 11.471 ( -0.029 7.360 -4.676) 8.720 11.705 ( -0.178 -6.050 5.314) 8.055 12.082 ( -0.513 -1.323 0.873) 1.666 13.753 ( -5.494 2.948 0.629) 6.267 14.152 ( -1.386 4.330 -3.717) 5.873 14.452 ( -10.254 -2.839 -0.627) 10.659 14.878 ( -5.314 -3.502 -3.966) 7.498 15.293 ( -2.963 4.866 -4.541) 7.286 15.432 ( 2.279 4.856 -1.309) 5.522 15.899 ( 0.779 -3.919 -7.790) 8.755 16.073 ( 2.489 -0.455 -8.749) 9.107 16.337 ( -1.134 1.750 6.079) 6.427 16.431 ( -15.687 -1.362 6.048) 16.868 16.756 ( -12.785 -5.055 8.995) 16.429 16.877 ( -2.160 -1.399 -2.847) 3.838 18.036 ( 22.578 -6.625 -4.816) 24.018 18.123 ( 4.475 -1.928 2.137) 5.320 18.238 ( 8.712 2.552 -1.404) 9.187 18.514 ( 9.031 -1.267 1.735) 9.283 27.888 ( -0.229 -0.028 -0.406) 0.467 27.989 ( 1.513 1.737 -0.779) 2.431 28.064 ( 1.028 -0.794 -2.058) 2.434 28.288 ( -1.744 -1.517 -4.857) 5.379 29.156 ( 0.646 1.122 -4.209) 4.403 29.228 ( 0.014 9.167 -5.977) 10.943 29.357 ( -1.161 5.543 -2.759) 6.300 29.905 ( -1.408 -4.290 -6.140) 7.622 30.216 ( -10.478 7.561 6.078) 14.279 30.497 ( -8.943 3.484 5.652) 11.139 30.719 ( -20.849 11.629 10.009) 25.886 31.330 ( -7.385 -0.479 0.145) 7.402 31.475 ( 10.503 7.855 6.420) 14.603 31.747 ( 0.904 -4.261 -0.152) 4.359 32.217 ( 2.934 -3.506 1.849) 4.932 33.569 ( 36.991 -21.707 -6.570) 43.390 ======================= Grid point 89 (37/168) ======================= q-point: ( 0.20 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 11.437 19.809 16.592) 28.258 1.958 ( 13.592 10.276 18.901) 25.447 2.111 ( 17.753 5.500 -9.661) 20.947 2.508 ( 20.242 11.185 9.827) 25.129 2.769 ( 4.370 1.007 -1.003) 4.595 3.139 ( 1.439 -4.766 -3.129) 5.881 3.420 ( 12.140 3.846 -0.182) 12.736 3.573 ( 1.736 9.697 -4.437) 10.805 3.704 ( 14.138 5.986 1.444) 15.421 3.847 ( 4.928 0.455 1.496) 5.170 4.185 ( 8.690 2.277 5.515) 10.541 4.397 ( -2.437 0.496 -0.928) 2.655 4.679 ( 8.799 -8.492 1.615) 12.335 5.001 ( -1.669 -13.401 8.220) 15.809 5.079 ( -0.019 -6.968 -2.739) 7.487 5.194 ( -6.154 -0.210 7.626) 9.802 5.451 ( 6.884 -2.723 -4.446) 8.635 5.721 ( 2.928 3.539 8.135) 9.343 5.800 ( 0.064 5.356 1.934) 5.695 6.048 ( 0.976 -6.171 -1.966) 6.549 6.212 ( 7.768 -0.554 13.353) 15.458 6.345 ( 2.138 2.638 -1.591) 3.750 6.688 ( 1.480 -5.974 7.193) 9.467 6.824 ( 1.132 0.175 -1.962) 2.272 7.011 ( -6.818 0.876 -5.471) 8.786 7.094 ( 3.402 3.495 -5.856) 7.621 7.298 ( -5.126 0.136 -0.212) 5.133 7.391 ( -2.579 2.051 -3.592) 4.875 7.625 ( 2.073 4.426 -2.984) 5.727 8.015 ( 0.765 4.769 -4.087) 6.327 8.138 ( 4.772 -4.712 1.158) 6.805 8.430 ( 5.165 3.500 5.926) 8.604 8.557 ( -10.176 5.501 -6.092) 13.074 8.823 ( 5.775 -4.155 -3.462) 7.912 9.310 ( 7.904 1.032 -1.442) 8.100 9.382 ( 2.247 -5.353 -0.356) 5.816 11.248 ( 2.141 0.273 -4.068) 4.605 11.404 ( -1.231 6.551 -4.715) 8.165 11.760 ( -0.875 -6.146 5.161) 8.073 12.086 ( -0.554 -1.937 1.258) 2.375 13.667 ( -5.747 1.204 0.487) 5.892 14.049 ( -6.429 1.622 -4.459) 7.990 14.249 ( -13.520 -1.454 -0.606) 13.612 14.726 ( -8.189 -3.464 -2.781) 9.316 15.221 ( -0.184 3.861 -2.369) 4.534 15.451 ( 0.054 4.216 0.125) 4.218 15.829 ( 1.337 -4.340 -6.547) 7.968 16.003 ( 2.113 1.584 -8.734) 9.125 16.272 ( -9.869 -0.362 4.282) 10.764 16.423 ( -0.121 0.785 7.629) 7.670 16.650 ( -11.003 -4.065 5.558) 12.981 16.786 ( -4.077 -0.168 -3.719) 5.521 18.242 ( 8.242 -2.131 -0.008) 8.513 18.256 ( 11.387 -3.766 -1.189) 12.053 18.403 ( 14.271 0.901 -4.491) 14.988 18.695 ( 10.304 -1.251 1.864) 10.546 27.897 ( 1.228 -1.906 0.398) 2.302 28.006 ( 1.595 0.894 -0.513) 1.899 28.065 ( 1.540 -0.565 -1.114) 1.983 28.200 ( -1.595 -0.330 -5.384) 5.624 29.122 ( 0.772 0.598 -3.438) 3.574 29.199 ( 2.442 6.052 -3.112) 7.230 29.330 ( -2.071 1.984 1.891) 3.435 29.814 ( -1.126 -4.493 -5.687) 7.334 30.069 ( -16.445 6.286 9.157) 19.845 30.429 ( -6.205 1.134 2.561) 6.808 30.643 ( -4.392 11.644 5.722) 13.698 31.194 ( -8.092 -0.564 -2.318) 8.436 31.684 ( -1.425 1.045 2.620) 3.160 31.771 ( 6.607 6.102 7.713) 11.849 32.343 ( 11.798 -5.820 -1.177) 13.208 33.910 ( 20.058 -14.829 -8.534) 26.364 ======================= Grid point 90 (38/168) ======================= q-point: ( 0.30 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 12.121 16.209 12.213) 23.639 2.294 ( 3.811 7.947 15.778) 18.072 2.368 ( 19.243 6.501 0.091) 20.312 2.731 ( 3.259 0.397 -0.006) 3.283 2.927 ( 11.882 5.535 -3.348) 13.529 3.150 ( 7.806 -7.020 -4.122) 11.279 3.419 ( -2.034 3.052 -8.149) 8.936 3.605 ( 4.205 4.265 0.557) 6.015 3.867 ( 4.297 8.275 2.482) 9.648 3.983 ( 8.143 14.488 2.358) 16.786 4.329 ( -2.801 0.268 0.924) 2.962 4.463 ( 13.938 -2.562 2.357) 14.366 4.740 ( 1.050 -9.389 -4.692) 10.548 5.031 ( -2.259 -7.075 3.102) 8.049 5.064 ( 1.615 -10.397 -1.857) 10.685 5.191 ( -2.275 -2.395 4.029) 5.210 5.519 ( 4.372 1.130 -0.469) 4.540 5.772 ( 2.028 0.423 -3.388) 3.971 5.881 ( 3.350 8.699 3.681) 10.022 6.068 ( 2.041 -3.129 -0.252) 3.744 6.291 ( -1.450 -1.961 -2.511) 3.501 6.474 ( 1.245 -12.427 10.402) 16.254 6.809 ( 2.925 3.319 1.851) 4.795 6.868 ( 5.274 -2.994 5.390) 8.113 6.887 ( 1.995 0.279 -0.107) 2.018 7.089 ( 1.172 1.267 -6.507) 6.732 7.194 ( 2.576 2.633 -7.461) 8.320 7.347 ( -2.448 8.413 2.705) 9.170 7.666 ( 2.302 1.963 1.094) 3.217 7.962 ( 0.330 6.293 -5.950) 8.667 8.218 ( -0.460 -0.769 4.080) 4.177 8.353 ( -4.822 4.665 -7.689) 10.205 8.629 ( 5.627 -3.362 10.728) 12.572 8.854 ( 3.005 -3.697 -2.844) 5.548 9.307 ( 1.832 4.182 -6.100) 7.619 9.501 ( 4.506 -3.260 5.117) 7.557 11.223 ( 0.685 1.035 -3.714) 3.916 11.339 ( 0.037 5.436 -4.389) 6.986 11.784 ( -2.925 -5.696 3.899) 7.497 12.089 ( -0.383 -3.134 0.110) 3.159 13.591 ( -4.643 -0.559 1.005) 4.783 13.860 ( -10.209 -1.227 -3.451) 10.846 14.041 ( -11.250 1.710 -0.434) 11.387 14.575 ( -7.430 -2.976 -1.479) 8.140 15.234 ( 2.606 2.543 0.245) 3.649 15.430 ( -1.508 4.508 -1.205) 4.904 15.803 ( 2.335 -4.302 -2.940) 5.710 15.956 ( 2.683 1.831 -5.832) 6.675 16.204 ( -3.374 0.128 1.913) 3.880 16.503 ( -1.493 -0.698 6.072) 6.292 16.540 ( -8.564 -3.344 3.666) 9.898 16.677 ( -3.737 0.311 -3.440) 5.089 18.364 ( 7.263 -1.835 -0.633) 7.518 18.409 ( 8.408 -2.085 0.739) 8.694 18.550 ( 9.758 1.710 -3.104) 10.381 18.860 ( 7.948 -1.400 1.194) 8.158 27.931 ( 1.814 -2.646 1.088) 3.387 28.016 ( 0.858 -1.115 -1.948) 2.403 28.090 ( 1.235 0.047 1.413) 1.877 28.128 ( -0.186 0.862 -3.819) 3.920 29.100 ( 1.028 0.472 -2.575) 2.813 29.223 ( 2.683 3.344 -0.497) 4.316 29.326 ( -2.050 1.310 2.803) 3.712 29.746 ( -0.283 -4.324 -3.809) 5.769 29.943 ( -11.924 5.898 8.118) 15.584 30.342 ( -6.500 -0.863 0.225) 6.561 30.658 ( -1.059 11.712 3.035) 12.146 31.039 ( -7.097 -0.174 -2.594) 7.558 31.617 ( -6.048 -5.091 1.105) 7.982 31.992 ( 8.789 15.864 3.990) 18.570 32.531 ( 11.228 -9.692 0.915) 14.861 34.064 ( 12.119 -10.535 -7.588) 17.760 ======================= Grid point 91 (39/168) ======================= q-point: ( 0.40 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 4.163 9.436 7.652) 12.842 2.421 ( -0.439 10.248 4.599) 11.241 2.610 ( 5.101 7.236 2.108) 9.101 2.798 ( 7.039 0.017 1.367) 7.170 2.960 ( 0.645 0.603 -1.711) 1.926 3.196 ( 6.968 8.409 -8.390) 13.772 3.418 ( 6.998 -11.545 -1.298) 13.563 3.627 ( -2.793 6.058 2.601) 7.160 3.902 ( -2.569 7.381 3.980) 8.770 4.128 ( 5.488 11.256 -0.175) 12.523 4.297 ( 0.717 6.373 -3.185) 7.161 4.615 ( 1.077 -10.029 1.589) 10.211 4.714 ( 5.777 -0.262 -4.009) 7.037 5.002 ( -0.778 0.787 -5.094) 5.213 5.060 ( -0.499 -20.394 1.508) 20.456 5.237 ( 2.596 -1.580 2.585) 3.989 5.570 ( 0.988 4.798 2.154) 5.351 5.756 ( 2.562 1.356 -4.168) 5.077 5.959 ( 3.613 8.905 0.208) 9.612 6.062 ( 1.675 -3.019 -5.053) 6.120 6.287 ( -0.540 -9.722 4.219) 10.612 6.487 ( -4.930 -15.568 1.992) 16.451 6.883 ( 2.306 5.953 1.044) 6.469 6.968 ( 4.580 4.187 -4.386) 7.599 7.015 ( 3.808 -2.362 2.637) 5.200 7.097 ( 5.376 -0.369 5.470) 7.679 7.175 ( 0.511 3.179 -4.194) 5.287 7.357 ( 0.482 9.334 2.087) 9.576 7.698 ( -0.092 -0.186 1.503) 1.517 7.906 ( 0.934 7.013 -4.556) 8.415 8.175 ( -5.063 3.765 -0.788) 6.358 8.292 ( 1.442 2.092 1.327) 2.867 8.717 ( 0.876 -6.795 -7.561) 10.204 8.923 ( 1.534 -3.541 9.652) 10.395 9.261 ( 1.343 4.726 -6.265) 7.962 9.595 ( 0.465 -0.599 3.488) 3.570 11.203 ( 1.174 0.779 -1.457) 2.027 11.308 ( 1.841 4.444 -3.819) 6.142 11.761 ( -3.903 -4.657 2.361) 6.519 12.071 ( -0.189 -4.177 -2.524) 4.884 13.556 ( -2.022 -1.690 2.836) 3.872 13.696 ( -7.226 -3.120 0.285) 7.876 13.903 ( -5.670 4.157 0.247) 7.035 14.467 ( -4.080 -2.516 -0.869) 4.871 15.278 ( 1.198 1.612 1.144) 2.312 15.395 ( -0.270 5.271 -1.660) 5.533 15.832 ( 2.206 -4.028 1.348) 4.787 15.952 ( 3.048 1.226 -3.019) 4.462 16.204 ( 1.368 -0.141 0.386) 1.429 16.414 ( -6.810 -3.540 -1.032) 7.744 16.509 ( -4.314 0.778 -1.202) 4.545 16.647 ( -0.730 -0.431 5.346) 5.413 18.450 ( 4.172 -1.777 -0.294) 4.544 18.533 ( 4.913 -1.497 1.971) 5.501 18.645 ( 5.199 2.777 -0.579) 5.922 18.963 ( 3.860 -1.608 0.114) 4.183 27.977 ( 2.022 -2.590 1.338) 3.548 27.987 ( -0.635 -1.549 -2.542) 3.044 28.097 ( 0.929 0.114 -1.419) 1.700 28.145 ( 0.723 0.425 3.378) 3.481 29.102 ( 1.511 0.758 -0.557) 1.780 29.254 ( 0.608 1.247 0.692) 1.550 29.332 ( -1.032 2.130 2.742) 3.622 29.721 ( 0.864 -4.034 -1.202) 4.297 29.874 ( -8.002 5.600 7.010) 12.022 30.245 ( -4.275 -1.180 -1.546) 4.697 30.662 ( -0.980 11.193 0.072) 11.236 30.936 ( -3.232 -0.006 -0.299) 3.246 31.540 ( -3.163 -5.311 -1.574) 6.379 32.108 ( 4.147 16.566 -2.117) 17.208 32.697 ( 5.526 -10.671 4.073) 12.689 34.136 ( 7.927 -8.581 -6.950) 13.594 ======================= Grid point 92 (40/168) ======================= q-point: (-0.50 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -10.289 4.885 -6.100) 12.920 2.404 ( -10.001 15.563 -1.223) 18.540 2.668 ( 0.742 6.642 4.145) 7.865 2.923 ( 2.269 1.452 4.282) 5.059 2.951 ( -0.086 -0.830 -0.320) 0.893 3.291 ( 12.046 5.281 -2.254) 13.345 3.477 ( -0.356 -9.278 0.022) 9.284 3.626 ( -1.564 7.305 5.086) 9.038 3.904 ( -2.543 5.527 3.162) 6.857 4.135 ( -0.924 4.078 -1.706) 4.516 4.252 ( 0.100 11.799 -7.003) 13.721 4.645 ( -0.312 -9.837 2.658) 10.195 4.771 ( 4.315 -0.059 -2.857) 5.175 4.913 ( -1.593 -4.160 -5.312) 6.932 5.072 ( -0.434 -13.164 0.740) 13.192 5.294 ( -0.275 -0.303 2.344) 2.379 5.611 ( 0.305 5.236 3.990) 6.590 5.768 ( 3.265 3.877 -3.034) 5.908 5.992 ( 0.260 5.587 -0.427) 5.609 6.038 ( 2.686 -3.956 -4.113) 6.308 6.327 ( -1.130 -7.486 3.196) 8.218 6.430 ( -3.647 -16.116 1.440) 16.587 6.831 ( -3.907 3.696 -5.858) 7.953 7.000 ( -2.401 1.869 -4.950) 5.811 7.017 ( -0.719 0.054 -2.031) 2.156 7.098 ( -0.761 1.345 2.666) 3.081 7.234 ( 1.673 2.066 4.452) 5.185 7.414 ( 1.309 6.968 3.605) 7.953 7.700 ( -1.336 0.190 0.780) 1.558 7.910 ( 4.322 7.106 -1.674) 8.484 8.119 ( -1.576 1.200 -0.327) 2.008 8.393 ( 5.146 3.767 6.628) 9.198 8.569 ( -3.075 -3.007 -12.175) 12.913 9.029 ( 1.082 -5.135 3.848) 6.508 9.200 ( -0.382 2.521 -5.828) 6.361 9.588 ( -3.649 1.122 -0.115) 3.819 11.232 ( 4.037 0.598 -1.391) 4.312 11.304 ( 1.243 2.546 -1.020) 3.012 11.737 ( -1.984 -3.536 1.880) 4.470 12.026 ( 0.449 -3.750 -5.312) 6.518 13.604 ( 0.395 -1.680 6.684) 6.903 13.652 ( 0.029 -4.860 2.858) 5.638 13.872 ( 0.877 5.059 0.924) 5.217 14.433 ( 0.920 -2.324 -0.578) 2.565 15.293 ( -0.544 2.087 1.052) 2.399 15.386 ( 0.594 5.805 -0.959) 5.914 15.896 ( 1.343 -3.543 4.656) 6.003 15.973 ( 2.908 0.239 -1.975) 3.523 16.241 ( 3.369 -1.082 -1.129) 3.714 16.299 ( -4.612 -3.205 -2.734) 6.246 16.416 ( -3.747 2.554 -2.204) 5.042 16.716 ( 0.174 -0.950 6.359) 6.432 18.484 ( -0.085 -1.954 0.457) 2.008 18.596 ( -0.723 0.612 2.848) 3.001 18.714 ( 2.606 0.962 2.238) 3.568 18.981 ( -0.830 -1.645 -1.148) 2.171 27.951 ( -0.758 -1.390 -1.531) 2.202 28.013 ( 1.351 -1.741 -0.222) 2.215 28.112 ( 0.762 -1.292 1.861) 2.390 28.192 ( -0.129 0.211 3.866) 3.874 29.136 ( 1.910 0.690 1.818) 2.726 29.257 ( -1.273 0.639 1.075) 1.785 29.351 ( -0.832 3.879 2.754) 4.830 29.746 ( 1.672 -3.591 1.638) 4.286 29.846 ( -5.109 4.556 6.278) 9.288 30.187 ( 0.384 -0.481 -2.734) 2.803 30.625 ( -1.658 10.615 -2.881) 11.123 30.939 ( 1.633 -0.563 2.879) 3.357 31.484 ( 0.098 -4.532 -3.940) 6.005 32.074 ( -1.398 13.633 -7.250) 15.504 32.785 ( -1.819 -8.281 5.787) 10.266 34.162 ( 5.348 -8.662 -6.733) 12.205 ======================= Grid point 93 (41/168) ======================= q-point: (-0.40 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -16.351 7.366 -9.525) 20.307 2.142 ( -17.389 19.552 -4.305) 26.517 2.682 ( -6.422 4.231 6.710) 10.206 2.917 ( -7.275 -2.907 6.039) 9.891 3.019 ( 6.020 3.878 -0.416) 7.173 3.367 ( -10.593 -6.708 -1.004) 12.578 3.479 ( 8.587 4.887 0.818) 9.914 3.683 ( 0.791 3.376 4.263) 5.495 3.881 ( -2.669 3.433 -0.541) 4.382 4.039 ( -10.223 17.777 -3.879) 20.871 4.211 ( 4.507 -1.853 -1.992) 5.265 4.546 ( -11.453 -4.298 -6.356) 13.785 4.778 ( 2.167 -6.120 -3.829) 7.537 4.844 ( -2.852 -4.174 -2.962) 5.859 5.068 ( -0.473 -6.901 0.017) 6.917 5.260 ( -5.567 -0.377 1.072) 5.682 5.666 ( -0.348 4.011 3.580) 5.387 5.744 ( -1.972 7.467 -2.899) 8.249 5.957 ( -2.854 -4.926 -1.622) 5.920 6.044 ( -0.690 -3.160 -0.134) 3.237 6.281 ( -4.010 -1.285 -5.125) 6.633 6.435 ( -2.068 -8.335 6.603) 10.833 6.748 ( 1.258 -5.513 -1.408) 5.828 6.776 ( -8.481 -4.339 -5.699) 11.101 7.006 ( -3.137 7.477 -1.695) 8.284 7.137 ( 0.519 -2.286 4.017) 4.651 7.360 ( 4.827 2.003 6.199) 8.107 7.446 ( -1.501 5.981 5.583) 8.319 7.677 ( -1.729 1.512 -0.260) 2.312 7.973 ( 3.574 4.286 -1.327) 5.736 8.092 ( 0.105 -1.605 -2.587) 3.046 8.356 ( -3.877 0.859 -9.584) 10.374 8.610 ( 6.891 6.062 9.546) 13.242 9.060 ( 5.939 -2.971 -6.654) 9.401 9.126 ( -2.596 -2.316 -1.933) 3.980 9.494 ( -5.396 1.559 -2.915) 6.328 11.270 ( 5.337 1.914 -5.430) 7.851 11.337 ( 0.906 -1.295 3.470) 3.813 11.733 ( -1.250 -2.485 1.194) 3.027 11.980 ( 2.291 -1.937 -5.543) 6.302 13.660 ( -1.979 -3.201 6.603) 7.600 13.795 ( 9.712 -3.530 5.461) 11.688 13.951 ( 6.946 4.263 1.531) 8.292 14.484 ( 6.173 -2.365 -0.441) 6.625 15.297 ( -1.053 3.395 2.147) 4.153 15.383 ( 0.506 6.693 -1.014) 6.788 15.965 ( -0.628 -3.035 4.063) 5.110 15.993 ( 3.869 -0.386 -2.610) 4.683 16.213 ( -1.057 -2.928 -4.285) 5.297 16.266 ( 2.024 -2.719 -2.176) 4.028 16.369 ( -1.634 4.491 2.419) 5.356 16.793 ( 1.326 -0.993 4.786) 5.064 18.457 ( -4.524 -1.998 1.216) 5.092 18.575 ( -6.062 2.384 3.046) 7.191 18.777 ( -0.193 -2.554 5.004) 5.621 18.912 ( -5.330 -1.425 -2.192) 5.937 27.928 ( -0.888 -1.894 -0.465) 2.143 28.015 ( 0.293 0.359 -1.080) 1.175 28.151 ( -0.463 -3.023 3.333) 4.523 28.235 ( 0.509 0.036 3.620) 3.656 29.189 ( 0.253 0.384 2.488) 2.530 29.254 ( -0.377 1.307 2.205) 2.590 29.372 ( -0.524 6.842 3.370) 7.644 29.790 ( -0.786 -1.391 3.852) 4.170 29.876 ( 0.109 0.974 6.683) 6.754 30.196 ( 4.772 0.903 -2.970) 5.693 30.543 ( -2.436 10.320 -5.728) 12.052 31.039 ( 4.856 -1.735 4.643) 6.939 31.455 ( 3.232 -3.331 -5.367) 7.095 31.910 ( -6.188 9.779 -10.057) 15.332 32.771 ( -8.550 -4.888 6.351) 11.719 34.152 ( 3.279 -11.036 -6.858) 13.400 ======================= Grid point 94 (42/168) ======================= q-point: (-0.30 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -20.953 11.337 -6.481) 24.689 1.786 ( -20.672 24.686 -4.297) 32.483 2.656 ( -10.399 1.136 11.371) 15.451 2.801 ( -17.198 6.269 2.741) 18.509 3.085 ( -19.089 -1.887 5.338) 19.911 3.117 ( 3.541 -2.415 -3.315) 5.418 3.579 ( 5.007 4.923 -5.248) 8.766 3.655 ( -14.450 7.303 0.280) 16.193 3.805 ( -1.658 3.831 -1.648) 4.488 3.840 ( -3.987 2.901 -3.917) 6.297 4.117 ( -14.936 -1.584 -9.050) 17.536 4.395 ( 3.751 -0.555 3.189) 4.955 4.676 ( -10.573 -5.600 -8.335) 14.582 4.762 ( 2.526 0.807 -3.928) 4.740 5.026 ( -3.328 -7.840 -3.521) 9.217 5.216 ( -2.677 -1.815 4.448) 5.500 5.591 ( -4.115 3.478 -7.713) 9.408 5.718 ( -5.978 7.719 6.586) 11.777 5.862 ( -7.866 -6.528 0.709) 10.246 5.977 ( -2.471 -4.937 -9.059) 10.609 6.147 ( -6.526 -2.522 2.711) 7.503 6.448 ( -4.056 4.416 1.622) 6.212 6.575 ( -5.799 -13.027 -3.858) 14.772 6.892 ( 2.693 -2.943 2.892) 4.927 6.995 ( 6.531 1.882 3.827) 7.800 7.154 ( -0.919 1.423 0.291) 1.719 7.383 ( -4.781 4.908 3.271) 7.592 7.558 ( -3.501 -0.442 4.526) 5.739 7.703 ( 7.279 2.158 4.363) 8.756 7.969 ( 1.111 -2.796 -3.167) 4.368 8.052 ( 0.501 0.789 -3.801) 3.914 8.281 ( 3.135 2.064 -2.070) 4.286 8.805 ( 3.208 7.085 8.152) 11.267 9.085 ( 5.784 -2.494 -7.028) 9.437 9.103 ( 3.262 -4.083 0.207) 5.230 9.369 ( -4.770 -0.140 -3.773) 6.084 11.276 ( 2.281 -1.885 -4.302) 5.221 11.391 ( 3.611 0.578 -0.238) 3.665 11.713 ( -2.200 -1.507 -0.058) 2.667 11.983 ( 3.750 -0.380 -2.475) 4.509 13.701 ( -0.793 -2.435 4.257) 4.968 14.026 ( 10.004 -0.697 4.364) 10.936 14.110 ( 10.542 0.682 2.475) 10.850 14.613 ( 10.378 -2.479 -0.380) 10.677 15.318 ( -0.118 4.737 3.251) 5.746 15.387 ( 1.755 8.927 -0.313) 9.104 15.946 ( 1.325 -2.408 -6.116) 6.705 16.045 ( 1.087 -0.068 2.918) 3.114 16.151 ( 0.294 -2.387 -6.213) 6.662 16.283 ( 3.825 -3.468 -2.918) 5.931 16.415 ( -1.048 3.833 8.901) 9.748 16.866 ( 2.306 -0.837 2.900) 3.799 18.373 ( -8.098 -1.907 1.890) 8.531 18.482 ( -9.589 2.611 2.754) 10.312 18.760 ( -7.570 -2.451 -3.564) 8.719 18.822 ( -5.632 -6.215 7.892) 11.516 27.910 ( -1.080 -1.522 0.006) 1.866 28.009 ( 0.155 1.215 -0.568) 1.350 28.160 ( -2.334 -2.311 2.278) 3.997 28.295 ( 1.893 -1.579 3.141) 3.993 29.185 ( -1.135 3.061 -0.001) 3.265 29.298 ( -1.111 0.582 5.196) 5.345 29.440 ( 4.886 11.584 3.645) 13.090 29.825 ( -1.158 -1.397 6.142) 6.404 29.989 ( 2.128 -0.754 8.856) 9.139 30.257 ( 6.057 3.055 -2.061) 7.090 30.421 ( -2.378 10.264 -8.212) 13.358 31.170 ( 5.115 -3.293 3.142) 6.847 31.470 ( 6.348 -2.236 -5.023) 8.398 31.669 ( -8.739 6.413 -10.259) 14.924 32.671 ( -13.248 -2.236 6.894) 15.101 34.097 ( 0.008 -16.811 -8.452) 18.816 ======================= Grid point 95 (43/168) ======================= q-point: (-0.20 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -23.715 16.888 3.409) 29.313 1.405 ( -23.134 26.824 -2.279) 35.495 2.233 ( -43.580 22.894 -0.227) 49.228 2.720 ( -7.706 -0.562 15.565) 17.377 2.875 ( -11.883 -4.918 1.224) 12.919 3.101 ( -10.435 -0.516 -2.029) 10.643 3.378 ( -6.011 7.468 -4.157) 10.450 3.567 ( -12.272 -1.148 -3.489) 12.809 3.645 ( -3.108 1.197 -5.099) 6.091 3.734 ( 0.139 -3.192 -7.201) 7.878 3.981 ( 1.187 3.283 2.857) 4.510 4.368 ( -13.023 -2.849 -8.093) 15.596 4.506 ( 4.553 -3.300 0.340) 5.634 4.796 ( 4.942 6.663 -2.353) 8.622 4.908 ( -5.022 -11.875 -1.124) 12.943 5.246 ( -1.376 -0.900 4.745) 5.022 5.428 ( -4.372 2.207 -7.940) 9.329 5.636 ( -10.788 -2.266 1.949) 11.194 5.754 ( -4.970 2.615 -2.132) 6.007 5.826 ( -4.586 0.253 -2.103) 5.051 6.132 ( -3.433 -8.655 4.171) 10.203 6.362 ( -5.136 9.038 -1.438) 10.495 6.506 ( 0.876 -9.518 -0.733) 9.586 6.918 ( -0.977 -0.642 3.288) 3.490 7.069 ( -3.943 0.086 1.275) 4.145 7.201 ( 5.886 -0.517 -2.282) 6.334 7.350 ( -3.594 2.768 5.038) 6.780 7.471 ( -6.038 -0.300 -1.937) 6.348 7.857 ( 1.336 0.042 3.276) 3.539 7.974 ( 4.704 -0.700 0.505) 4.782 8.119 ( 5.199 1.122 4.279) 6.826 8.340 ( 6.872 -2.171 -2.709) 7.699 8.871 ( 5.028 1.843 -8.266) 9.849 9.101 ( -7.083 -2.606 8.832) 11.617 9.137 ( 6.612 2.164 -13.073) 14.809 9.325 ( -1.032 -8.555 8.492) 12.098 11.244 ( 0.549 -3.969 -4.303) 5.880 11.449 ( 4.892 2.617 -1.816) 5.838 11.669 ( -2.500 -1.208 -0.455) 2.813 12.028 ( 3.319 0.034 -0.189) 3.324 13.733 ( 0.761 -0.291 1.611) 1.805 14.162 ( 4.894 3.981 0.147) 6.310 14.338 ( 11.525 -3.377 3.924) 12.634 14.785 ( 11.463 -2.377 -0.898) 11.741 15.342 ( 0.515 3.877 0.134) 3.913 15.481 ( 8.436 14.685 3.200) 17.235 15.892 ( 1.358 -1.842 -5.570) 6.022 16.078 ( 0.860 -1.301 -5.523) 5.739 16.094 ( -0.770 -1.557 2.929) 3.406 16.298 ( 5.141 -1.348 -7.046) 8.826 16.531 ( -0.705 1.342 12.614) 12.705 16.927 ( 2.337 -0.687 1.012) 2.638 18.254 ( -9.793 -1.835 2.537) 10.281 18.348 ( -10.322 2.308 1.990) 10.762 18.579 ( -8.814 -1.857 -3.816) 9.782 18.774 ( -14.101 -16.664 7.197) 22.985 27.901 ( -0.133 0.405 0.552) 0.698 28.004 ( -0.077 0.797 -0.709) 1.070 28.138 ( -2.453 -1.405 0.885) 2.962 28.354 ( 1.677 -2.736 1.764) 3.662 29.177 ( 1.134 4.333 -1.365) 4.683 29.330 ( -2.439 2.503 5.818) 6.787 29.601 ( 14.677 19.163 -5.293) 24.712 29.928 ( 2.478 -1.097 11.781) 12.088 30.123 ( -0.723 -1.491 10.836) 10.962 30.299 ( -1.828 7.927 0.465) 8.148 30.356 ( 7.227 8.734 -0.126) 11.337 31.260 ( 4.527 -5.127 -0.421) 6.853 31.423 ( -7.577 3.778 -8.092) 11.712 31.539 ( 7.600 -1.466 -3.571) 8.524 32.525 ( -15.477 -1.041 7.650) 17.296 33.898 ( -10.893 -28.168 -16.482) 34.406 ======================= Grid point 96 (44/168) ======================= q-point: (-0.10 0.14 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -28.815 17.010 10.033) 34.933 0.988 ( -21.201 26.017 9.256) 34.815 1.681 ( -31.501 45.735 18.412) 58.507 2.651 ( -11.251 -1.371 -9.569) 14.833 2.784 ( -10.000 -0.574 9.760) 13.986 2.828 ( -9.783 -0.467 0.602) 9.812 3.236 ( -4.711 0.754 -5.699) 7.432 3.394 ( -6.579 -3.213 0.907) 7.378 3.602 ( 2.652 -0.172 -8.698) 9.095 3.699 ( 3.187 -1.565 -3.332) 4.869 4.044 ( -2.112 1.946 6.420) 7.033 4.145 ( -3.335 -0.978 -3.657) 5.045 4.562 ( 2.151 -3.172 0.567) 3.874 4.757 ( 0.120 -7.356 -4.139) 8.441 4.977 ( 4.824 -4.243 4.004) 7.570 5.248 ( -3.639 2.340 -1.911) 4.729 5.334 ( 0.935 0.852 6.559) 6.679 5.480 ( -7.943 -4.276 0.368) 9.028 5.689 ( 0.394 5.936 -1.001) 6.032 5.775 ( -3.198 2.856 2.145) 4.794 6.084 ( -7.787 -1.362 4.149) 8.928 6.295 ( -3.466 0.151 1.252) 3.688 6.583 ( 7.078 0.298 1.051) 7.162 6.927 ( -0.397 0.340 -0.115) 0.535 7.036 ( -2.814 -0.982 4.673) 5.542 7.219 ( 2.080 1.250 -2.384) 3.402 7.360 ( -4.166 -1.117 -0.466) 4.339 7.421 ( 4.625 -1.443 4.243) 6.440 7.832 ( -5.025 -7.603 -0.480) 9.126 8.046 ( -2.008 2.271 -0.197) 3.038 8.213 ( 0.784 7.340 3.662) 8.240 8.417 ( 8.431 -5.727 -10.331) 14.512 8.729 ( -0.141 0.901 -20.923) 20.943 8.981 ( -4.050 -0.086 -4.828) 6.302 9.127 ( -4.420 2.076 3.203) 5.840 9.425 ( -5.338 -14.331 12.774) 19.926 11.218 ( 1.738 -3.670 -2.856) 4.965 11.491 ( 3.533 4.792 -2.772) 6.568 11.642 ( -1.264 -2.964 1.541) 3.572 12.068 ( 1.857 -0.102 -0.288) 1.882 13.774 ( 2.572 3.234 1.010) 4.254 14.214 ( 3.805 5.757 -2.652) 7.392 14.520 ( 5.823 -3.786 2.678) 7.444 14.926 ( 7.890 -2.421 -2.476) 8.616 15.350 ( 0.551 3.529 -0.225) 3.579 15.602 ( 9.599 12.553 -17.063) 23.256 16.009 ( 5.760 -1.272 2.127) 6.270 16.041 ( 8.346 0.159 11.600) 14.291 16.126 ( 0.841 -3.109 4.544) 5.569 16.295 ( 5.196 2.825 -6.600) 8.862 16.650 ( -2.495 -0.372 11.117) 11.399 16.956 ( 0.853 -0.887 -0.843) 1.491 18.136 ( -8.775 -1.909 3.295) 9.565 18.222 ( -6.760 1.787 -0.077) 6.993 18.385 ( -27.252 -17.917 -2.361) 32.700 18.454 ( -16.277 -7.000 -1.350) 17.770 27.923 ( 1.619 1.717 0.834) 2.503 27.981 ( -0.883 0.902 -2.021) 2.382 28.108 ( -1.622 -0.911 -0.500) 1.927 28.381 ( 0.472 -3.065 -0.361) 3.122 29.182 ( 2.227 2.637 -2.786) 4.436 29.352 ( -2.915 0.885 4.606) 5.522 29.662 ( 12.475 22.341 -24.740) 35.593 30.010 ( -0.763 1.768 -1.612) 2.511 30.239 ( 6.176 5.602 -3.864) 9.190 30.371 ( 3.013 5.638 8.337) 10.506 30.916 ( 38.548 5.310 49.225) 62.747 31.257 ( -1.928 -0.038 -4.399) 4.803 31.331 ( 4.456 -2.420 1.011) 5.170 31.614 ( 7.658 -1.977 -4.887) 9.297 32.349 ( -19.281 -2.735 5.467) 20.227 33.183 ( -47.782 -28.985 -30.305) 63.574 ======================= Grid point 97 (45/168) ======================= q-point: ( 0.00 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 6.698 21.499 11.841) 25.441 1.592 ( -1.428 25.858 16.719) 30.825 2.237 ( -4.866 -1.448 -10.048) 11.258 2.644 ( -9.031 8.972 4.278) 13.429 2.729 ( -1.039 29.539 8.305) 30.702 2.869 ( 6.895 -1.392 9.826) 12.084 3.113 ( 2.418 -5.234 -1.158) 5.881 3.376 ( 0.407 3.858 -3.146) 4.994 3.631 ( 6.612 5.701 -6.463) 10.863 3.705 ( 2.758 -0.138 0.669) 2.841 4.036 ( -1.898 -5.826 4.480) 7.590 4.137 ( 3.023 -1.623 3.761) 5.091 4.540 ( 5.016 -6.372 1.654) 8.276 4.567 ( -1.584 -4.347 -0.635) 4.670 5.006 ( 1.330 2.632 -1.029) 3.123 5.193 ( -0.843 -2.333 1.389) 2.843 5.320 ( -5.947 -2.565 2.867) 7.083 5.511 ( 0.574 1.077 9.872) 9.948 5.727 ( -0.631 -5.267 2.612) 5.913 5.812 ( -0.196 0.318 4.526) 4.542 5.980 ( -2.306 -3.311 5.919) 7.163 6.309 ( -0.082 -3.949 1.762) 4.325 6.738 ( -2.691 7.728 2.068) 8.441 6.963 ( 0.379 3.585 -1.876) 4.064 7.069 ( -0.527 0.560 1.840) 1.994 7.264 ( 2.018 0.695 -0.251) 2.149 7.280 ( 0.958 0.519 3.127) 3.311 7.425 ( -4.671 0.080 -4.176) 6.266 7.702 ( 5.311 -0.368 0.614) 5.359 8.045 ( -0.788 2.079 -2.555) 3.387 8.298 ( 3.137 -2.811 -12.612) 13.297 8.364 ( 2.200 -0.525 -1.973) 3.002 8.619 ( 2.896 -1.375 -0.931) 3.338 8.841 ( -1.270 -4.902 -0.366) 5.077 9.109 ( -4.401 3.204 -3.051) 6.240 9.287 ( -0.144 -4.801 3.795) 6.122 11.197 ( 2.669 -0.027 0.026) 2.670 11.502 ( 1.156 -7.473 2.827) 8.073 11.679 ( 0.418 7.986 -2.730) 8.450 12.054 ( 0.915 -2.208 -2.115) 3.192 13.916 ( -1.712 6.867 0.767) 7.118 14.340 ( -0.222 5.371 -4.688) 7.133 14.468 ( -2.045 -4.245 1.396) 4.914 14.867 ( 0.238 -5.820 -3.657) 6.878 15.464 ( 0.724 6.675 -0.433) 6.728 15.612 ( 1.825 4.312 -14.120) 14.876 15.892 ( 1.415 -3.799 -8.195) 9.143 16.018 ( 1.542 -5.746 -1.660) 6.176 16.349 ( 1.270 1.677 4.694) 5.143 16.468 ( 3.537 -0.750 5.559) 6.632 16.679 ( -5.711 -1.313 8.603) 10.409 16.860 ( -2.546 -3.842 -2.329) 5.164 17.864 ( -6.341 2.764 2.135) 7.239 18.041 ( -2.763 -1.926 1.733) 3.787 18.222 ( 0.510 2.301 0.506) 2.410 18.369 ( 2.357 -1.952 -0.049) 3.060 27.948 ( -1.597 1.604 -1.745) 2.857 27.997 ( 1.055 0.986 0.248) 1.465 28.059 ( -0.184 -0.860 -1.283) 1.556 28.282 ( -0.432 -4.490 -1.927) 4.905 29.208 ( 0.492 1.701 -2.714) 3.240 29.322 ( -3.430 -0.825 2.376) 4.254 29.780 ( -1.227 9.493 -20.492) 22.617 29.961 ( -1.830 0.510 -7.227) 7.472 30.437 ( 0.758 9.492 0.394) 9.530 30.670 ( -2.180 9.413 7.094) 11.986 31.043 ( -8.316 -7.107 1.257) 11.011 31.240 ( 2.864 -5.375 6.767) 9.104 31.598 ( -0.281 -0.532 -2.682) 2.749 31.755 ( -9.514 -3.482 8.237) 13.058 32.023 ( 9.791 4.652 0.352) 10.846 32.588 ( 13.457 -9.721 6.115) 17.691 ======================= Grid point 98 (46/168) ======================= q-point: ( 0.10 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 21.954 12.642 10.085) 27.267 1.830 ( 6.112 21.600 17.680) 28.574 2.131 ( 7.835 2.280 -11.026) 13.717 2.624 ( -0.730 6.096 4.608) 7.677 2.831 ( 0.434 19.062 5.748) 19.915 3.098 ( 8.232 7.107 5.832) 12.341 3.294 ( 12.429 -2.598 1.118) 12.747 3.402 ( 13.691 3.968 0.928) 14.285 3.714 ( 12.076 5.673 -5.037) 14.261 3.780 ( 1.656 4.186 4.844) 6.612 4.069 ( -0.014 -6.109 4.825) 7.785 4.275 ( 7.531 -5.755 3.752) 10.194 4.510 ( -3.350 -1.993 -2.118) 4.437 4.660 ( 3.787 -8.089 5.465) 10.471 5.017 ( 1.678 -0.075 -1.804) 2.465 5.215 ( -1.191 -0.272 4.526) 4.688 5.273 ( -1.720 -4.719 -0.038) 5.023 5.638 ( 1.795 0.671 9.084) 9.284 5.757 ( -1.771 -4.825 6.770) 8.500 5.926 ( 4.672 -0.503 8.042) 9.314 6.004 ( -1.329 -2.318 3.324) 4.264 6.324 ( -1.392 -6.741 3.680) 7.805 6.701 ( -3.643 9.861 1.571) 10.629 6.898 ( -3.196 2.161 -4.088) 5.622 7.089 ( -0.109 0.521 -0.174) 0.560 7.236 ( 3.979 6.506 -8.010) 11.060 7.349 ( -3.228 -0.490 1.122) 3.452 7.382 ( 1.629 -1.094 6.257) 6.558 7.740 ( 0.448 0.886 -3.843) 3.969 8.056 ( 1.910 3.367 1.781) 4.261 8.151 ( -2.724 -0.610 -8.251) 8.710 8.382 ( 4.554 -1.868 -3.472) 6.024 8.675 ( 4.977 -3.081 -2.451) 6.346 8.839 ( -0.782 -4.450 -6.476) 7.896 9.045 ( 3.791 1.571 1.263) 4.294 9.326 ( 2.280 -3.190 0.233) 3.928 11.241 ( 2.311 0.723 0.130) 2.425 11.551 ( -0.969 -7.938 5.237) 9.559 11.645 ( 0.684 8.663 -4.768) 9.912 12.041 ( 0.117 -2.835 -1.412) 3.170 13.846 ( -7.366 5.978 0.357) 9.493 14.241 ( -5.807 1.779 -4.481) 7.547 14.391 ( -7.383 -0.858 -0.303) 7.439 14.777 ( -5.341 -5.993 -4.158) 9.040 15.420 ( -2.116 6.977 -5.957) 9.415 15.542 ( 3.414 5.255 -4.036) 7.454 15.813 ( 0.896 -4.049 -8.623) 9.568 16.019 ( 2.325 -4.837 -4.205) 6.818 16.366 ( -8.395 1.335 8.054) 11.710 16.448 ( -4.677 2.877 1.366) 5.659 16.657 ( -10.362 -4.118 7.844) 13.633 16.814 ( 0.126 -4.355 -3.617) 5.663 17.959 ( 13.371 -0.798 -0.598) 13.409 18.080 ( 5.107 -2.227 1.073) 5.673 18.293 ( 7.965 2.745 -0.268) 8.429 18.473 ( 8.733 -2.494 1.662) 9.232 27.905 ( -1.178 1.482 -1.369) 2.336 28.003 ( 0.763 -0.427 -1.468) 1.709 28.052 ( 0.708 0.311 -0.485) 0.912 28.240 ( -1.102 -3.103 -3.150) 4.557 29.180 ( 0.273 1.586 -3.302) 3.673 29.296 ( -2.516 -0.021 1.462) 2.910 29.542 ( -1.821 8.536 -14.539) 16.958 29.833 ( -2.163 -2.780 -8.449) 9.154 30.404 ( -9.420 9.878 2.751) 13.924 30.597 ( -10.718 5.074 3.085) 12.253 30.911 ( -9.532 6.701 6.740) 13.460 31.322 ( -7.794 -0.954 6.374) 10.114 31.564 ( 5.363 -3.225 1.988) 6.566 31.725 ( -1.109 3.699 5.691) 6.877 32.171 ( 8.427 1.926 -1.888) 8.848 33.105 ( 32.087 -21.186 2.522) 38.533 ======================= Grid point 99 (47/168) ======================= q-point: ( 0.20 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 9.281 11.646 14.933) 21.090 2.184 ( 17.015 9.476 4.722) 20.040 2.256 ( 17.356 8.379 0.303) 19.276 2.693 ( 2.680 1.261 3.123) 4.304 2.911 ( 7.420 12.414 0.023) 14.463 3.148 ( 0.469 7.948 -4.759) 9.276 3.462 ( 9.647 -0.218 -2.459) 9.958 3.752 ( 9.862 1.437 0.506) 9.979 3.849 ( 8.142 12.951 6.510) 16.625 3.925 ( 16.900 6.159 1.512) 18.050 4.155 ( 3.329 -6.168 5.157) 8.702 4.399 ( 1.746 -1.193 -0.777) 2.253 4.462 ( 3.179 -8.819 -0.896) 9.417 4.745 ( -2.045 -9.078 7.236) 11.788 5.018 ( 2.710 0.013 -3.852) 4.710 5.243 ( -0.655 -0.006 2.523) 2.606 5.285 ( 2.855 -5.381 0.724) 6.134 5.732 ( -0.723 -4.024 5.487) 6.842 5.869 ( 2.731 1.465 9.022) 9.539 6.024 ( 1.811 0.598 2.575) 3.204 6.109 ( 3.107 -4.346 9.678) 11.054 6.374 ( 1.536 -5.070 4.689) 7.075 6.663 ( -2.228 6.565 0.585) 6.957 6.809 ( -2.247 -0.425 -3.015) 3.784 7.025 ( -4.377 0.498 -4.374) 6.208 7.182 ( -1.127 0.553 -6.724) 6.840 7.322 ( 2.696 5.824 -4.578) 7.883 7.433 ( -1.062 1.439 2.437) 3.023 7.712 ( 1.910 3.801 0.087) 4.255 8.098 ( 3.175 0.838 1.955) 3.822 8.128 ( 2.778 4.906 -0.864) 5.704 8.436 ( 2.586 -2.221 2.442) 4.193 8.665 ( -4.084 2.139 -8.527) 9.694 8.725 ( 4.417 -4.228 -4.756) 7.746 9.207 ( 8.321 -5.624 4.419) 10.973 9.365 ( 4.586 -0.240 -2.880) 5.421 11.266 ( 1.305 1.678 -0.841) 2.286 11.562 ( -4.060 4.410 1.164) 6.106 11.616 ( 1.553 -3.466 -0.998) 3.927 12.025 ( -0.632 -4.022 -0.982) 4.188 13.716 ( -9.052 3.655 0.597) 9.780 14.047 ( -12.566 -2.929 -3.316) 13.322 14.256 ( -7.937 3.184 -1.567) 8.695 14.629 ( -7.399 -5.620 -3.011) 9.768 15.333 ( -0.380 6.584 -4.145) 7.789 15.562 ( 1.445 6.061 -0.951) 6.303 15.734 ( 1.020 -4.659 -6.882) 8.373 15.990 ( 2.266 -3.177 -6.582) 7.652 16.283 ( -9.385 1.666 5.339) 10.925 16.451 ( -1.409 1.583 5.176) 5.593 16.563 ( -9.135 -3.653 3.811) 10.551 16.751 ( -2.881 -3.202 -3.360) 5.464 18.172 ( 14.044 -2.941 -2.186) 14.514 18.202 ( 8.085 -1.950 1.140) 8.395 18.446 ( 11.233 2.776 -0.943) 11.609 18.651 ( 10.080 -2.851 1.978) 10.661 27.885 ( -0.059 0.500 -0.507) 0.715 27.994 ( 0.847 -1.663 -2.122) 2.826 28.067 ( 0.893 0.805 0.764) 1.425 28.183 ( -0.909 -1.405 -3.647) 4.013 29.146 ( 0.002 1.814 -2.671) 3.229 29.279 ( -1.297 0.633 0.789) 1.645 29.407 ( -0.539 5.348 -6.084) 8.119 29.717 ( -1.313 -4.577 -6.532) 8.084 30.238 ( -14.549 9.051 5.390) 17.962 30.468 ( -8.898 1.847 0.830) 9.125 30.910 ( -1.760 13.361 6.278) 14.867 31.201 ( -9.855 1.817 0.170) 10.023 31.585 ( -6.332 -6.925 2.087) 9.612 31.923 ( 11.474 -2.587 10.631) 15.855 32.304 ( 12.890 9.251 -5.201) 16.697 33.530 ( 21.756 -20.309 -2.222) 29.844 ======================= Grid point 100 (48/168) ======================= q-point: ( 0.30 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 6.123 8.505 11.767) 15.757 2.482 ( 15.520 5.894 5.170) 17.388 2.547 ( 11.785 11.173 4.596) 16.877 2.762 ( 1.303 2.169 3.793) 4.559 3.048 ( 6.430 0.472 -4.562) 7.898 3.113 ( 8.685 11.188 -5.582) 15.224 3.470 ( -0.888 0.636 -6.110) 6.207 3.792 ( 4.334 10.404 -3.247) 11.729 4.027 ( 1.253 5.167 6.315) 8.255 4.168 ( 4.065 0.863 -0.318) 4.167 4.325 ( 11.537 -4.587 3.552) 12.913 4.401 ( 1.136 -0.379 1.869) 2.219 4.494 ( 3.322 -8.084 -2.568) 9.110 4.811 ( 3.362 -4.404 1.641) 5.779 5.014 ( 4.637 -1.004 -6.257) 7.852 5.245 ( -4.913 4.223 5.939) 8.789 5.368 ( 7.890 -10.223 -1.970) 13.063 5.750 ( -3.223 -5.775 2.598) 7.105 5.965 ( 2.777 1.863 1.509) 3.669 6.122 ( 2.952 3.321 4.981) 6.675 6.222 ( -2.276 -3.918 8.077) 9.261 6.367 ( -4.321 4.484 -5.885) 8.568 6.725 ( 4.246 -7.737 10.091) 13.406 6.825 ( 5.871 0.057 3.688) 6.933 6.916 ( -0.205 -1.379 -6.503) 6.651 7.081 ( -2.964 -1.529 -2.610) 4.235 7.325 ( 6.926 8.616 -7.551) 13.388 7.479 ( 2.317 4.157 3.068) 5.662 7.764 ( 1.107 7.664 1.912) 7.976 8.108 ( 1.091 5.891 -5.622) 8.216 8.229 ( 3.247 2.143 7.270) 8.246 8.433 ( -3.251 2.300 -7.224) 8.249 8.556 ( 0.792 -3.197 -1.012) 3.446 8.774 ( 4.063 -3.835 1.050) 5.685 9.327 ( 2.694 -2.997 -0.881) 4.125 9.438 ( 7.153 -1.933 0.667) 7.440 11.266 ( 0.196 3.142 -0.823) 3.254 11.488 ( -1.720 8.494 -4.640) 9.830 11.637 ( -1.751 -7.777 3.815) 8.837 11.994 ( -1.297 -5.866 -1.849) 6.285 13.592 ( -7.580 0.918 1.346) 7.753 13.804 ( -13.610 -3.928 -1.141) 14.211 14.113 ( -7.155 5.012 -1.763) 8.912 14.489 ( -6.565 -5.082 -1.638) 8.462 15.319 ( 1.558 5.528 -0.584) 5.773 15.551 ( -0.363 6.859 -1.877) 7.120 15.705 ( 2.070 -5.108 -2.258) 5.956 15.955 ( 2.912 -2.310 -6.178) 7.210 16.220 ( -4.205 1.705 2.620) 5.240 16.442 ( -7.020 -4.332 1.415) 8.369 16.516 ( -1.752 0.593 5.534) 5.835 16.662 ( -3.481 -1.809 -2.343) 4.569 18.325 ( 8.872 -1.613 -1.864) 9.208 18.359 ( 8.769 -2.305 1.515) 9.193 18.602 ( 9.121 3.018 -0.634) 9.628 18.814 ( 7.639 -2.941 1.407) 8.305 27.890 ( 0.797 -0.924 0.329) 1.264 27.982 ( 0.373 -2.066 -1.653) 2.672 28.095 ( 0.676 0.461 1.602) 1.799 28.136 ( 0.113 -0.081 -2.925) 2.928 29.125 ( 0.250 1.954 -1.132) 2.272 29.273 ( -1.172 0.282 1.364) 1.821 29.368 ( 0.579 3.299 -1.375) 3.621 29.646 ( -0.173 -4.987 -3.709) 6.218 30.102 ( -10.435 8.430 5.375) 14.451 30.338 ( -7.823 0.107 0.063) 7.824 30.951 ( -1.167 15.747 3.194) 16.110 31.049 ( -7.607 1.492 -1.117) 7.832 31.494 ( -5.697 -6.253 0.224) 8.462 32.216 ( 10.242 -13.951 7.460) 18.846 32.435 ( 10.583 19.502 -4.234) 22.589 33.768 ( 13.638 -17.250 -4.070) 22.363 ======================= Grid point 101 (49/168) ======================= q-point: ( 0.40 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -1.062 4.686 2.527) 5.429 2.705 ( 5.042 11.652 4.292) 13.402 2.785 ( 10.092 5.675 3.490) 12.093 2.815 ( -1.889 2.684 5.300) 6.234 3.020 ( 2.918 6.464 -4.934) 8.640 3.265 ( 11.220 0.985 -2.201) 11.476 3.382 ( -0.767 4.701 -3.568) 5.951 3.819 ( 3.127 10.353 -2.797) 11.171 4.052 ( -3.516 2.590 2.055) 4.826 4.146 ( -2.743 -1.737 -1.193) 3.459 4.360 ( -3.399 -8.874 4.112) 10.354 4.517 ( 3.085 -18.314 1.155) 18.608 4.580 ( 9.039 12.068 -4.297) 15.678 4.854 ( 4.545 3.019 -3.324) 6.389 5.023 ( 4.867 -0.665 -6.421) 8.085 5.254 ( -3.229 2.671 7.686) 8.754 5.471 ( 6.446 -10.484 -0.568) 12.320 5.711 ( -2.628 -7.599 0.133) 8.042 6.025 ( 3.100 -0.439 0.751) 3.220 6.194 ( -2.450 11.495 -1.519) 11.851 6.207 ( 0.226 1.848 3.186) 3.690 6.260 ( -4.988 -3.699 2.765) 6.797 6.834 ( 1.998 -7.238 -2.041) 7.781 6.902 ( 1.032 -7.667 -0.304) 7.742 7.044 ( 7.960 -2.246 6.101) 10.278 7.061 ( 1.866 1.828 1.944) 3.256 7.338 ( 4.326 10.221 -5.805) 12.525 7.545 ( 1.894 5.991 1.693) 6.507 7.771 ( -1.871 8.473 1.004) 8.735 8.055 ( 1.178 5.916 -5.128) 7.917 8.276 ( -2.097 3.557 -9.016) 9.917 8.352 ( 1.661 5.680 7.248) 9.357 8.545 ( 0.322 -8.858 -4.722) 10.043 8.867 ( 1.594 -2.685 5.983) 6.748 9.312 ( 1.249 0.299 -6.198) 6.330 9.546 ( 3.155 -4.269 2.203) 5.747 11.260 ( -0.103 4.414 -0.227) 4.421 11.417 ( 0.559 5.858 -5.824) 8.280 11.645 ( -2.717 -5.779 4.123) 7.602 11.947 ( -0.560 -7.461 -3.114) 8.104 13.524 ( -3.604 -1.054 2.951) 4.776 13.624 ( -9.239 -3.539 2.162) 10.127 14.010 ( -3.630 5.920 -0.791) 6.989 14.392 ( -3.558 -4.665 -0.943) 5.943 15.349 ( 0.905 5.022 1.614) 5.352 15.528 ( 0.423 7.240 -1.667) 7.441 15.737 ( 1.717 -5.048 2.215) 5.774 15.944 ( 3.460 -2.322 -4.556) 6.174 16.205 ( -0.420 0.426 0.547) 0.810 16.336 ( -4.972 -3.584 -2.404) 6.584 16.523 ( -3.485 0.784 1.165) 3.757 16.629 ( -1.168 -1.434 4.250) 4.635 18.420 ( 4.931 -0.910 -0.873) 5.090 18.493 ( 5.145 -2.213 2.431) 6.105 18.710 ( 4.814 3.330 0.192) 5.857 18.915 ( 3.525 -2.876 0.536) 4.580 27.910 ( 0.643 -2.158 0.528) 2.313 27.972 ( 0.184 -1.491 -0.524) 1.591 28.100 ( 0.269 0.454 -1.364) 1.462 28.144 ( 0.803 -0.405 2.130) 2.312 29.130 ( 0.589 2.024 0.911) 2.297 29.269 ( -1.908 -0.369 2.248) 2.971 29.384 ( 1.330 2.973 1.115) 3.443 29.627 ( 0.919 -4.654 -0.492) 4.769 30.026 ( -6.734 7.999 4.461) 11.368 30.233 ( -4.770 -0.131 -0.500) 4.797 30.909 ( -2.240 6.858 -2.994) 7.811 30.979 ( -3.436 8.649 1.999) 9.519 31.427 ( -1.818 -4.215 -1.373) 4.791 32.342 ( 4.431 -14.034 -6.543) 16.106 32.580 ( 6.099 18.790 6.241) 20.717 33.884 ( 7.950 -15.357 -5.077) 18.023 ======================= Grid point 102 (50/168) ======================= q-point: (-0.50 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -7.299 6.431 -5.311) 11.083 2.720 ( -5.330 13.265 -1.488) 14.373 2.807 ( -1.930 1.597 1.817) 3.094 2.861 ( -5.026 -0.393 2.709) 5.723 3.073 ( 5.073 9.122 -0.091) 10.438 3.386 ( 3.838 2.586 1.382) 4.830 3.418 ( 5.794 3.518 2.752) 7.315 3.829 ( 2.297 10.376 -2.798) 10.990 3.979 ( -3.236 -4.266 -4.242) 6.831 4.115 ( -0.839 2.486 1.746) 3.152 4.395 ( -0.346 -6.426 5.734) 8.619 4.531 ( -1.350 -17.012 -0.112) 17.066 4.588 ( 0.947 10.201 -6.421) 12.091 4.873 ( 0.964 0.916 -4.349) 4.548 5.044 ( 4.304 4.183 -1.194) 6.120 5.292 ( -3.542 0.165 6.023) 6.989 5.556 ( 4.227 -8.995 1.445) 10.043 5.676 ( -2.323 -9.196 -0.151) 9.486 6.053 ( 0.040 -1.466 -1.750) 2.283 6.159 ( -3.709 8.082 1.486) 9.016 6.210 ( -1.821 0.259 1.308) 2.257 6.275 ( 2.186 3.090 5.047) 6.309 6.786 ( -5.452 -6.865 -7.226) 11.361 6.893 ( 2.011 -7.152 0.108) 7.430 6.983 ( -5.461 -0.816 -5.599) 7.864 7.172 ( -2.973 -0.123 4.196) 5.144 7.379 ( 5.441 10.454 -1.061) 11.833 7.573 ( -0.023 6.135 1.145) 6.241 7.759 ( -0.898 6.807 1.025) 6.942 8.051 ( 4.352 5.194 -3.176) 7.484 8.161 ( -2.206 2.565 -6.108) 6.982 8.457 ( -0.571 -3.661 -6.185) 7.210 8.496 ( 6.350 2.151 4.934) 8.324 8.932 ( -2.190 -4.403 5.743) 7.561 9.233 ( 0.533 1.241 -9.571) 9.666 9.571 ( -1.506 -3.290 -0.308) 3.631 11.266 ( 1.902 2.643 -0.686) 3.328 11.364 ( 0.843 2.831 -5.886) 6.585 11.661 ( -1.233 -2.811 4.468) 5.420 11.916 ( 1.789 -6.517 -3.737) 7.722 13.560 ( 2.512 -2.599 5.042) 6.203 13.565 ( -3.890 -2.963 5.158) 7.108 13.987 ( 1.335 6.054 0.156) 6.202 14.362 ( 1.040 -4.439 -0.581) 4.596 15.379 ( -0.294 5.920 2.977) 6.633 15.528 ( 1.091 7.606 -0.700) 7.715 15.805 ( 0.845 -5.203 5.701) 7.764 15.954 ( 3.587 -2.432 -3.673) 5.681 16.203 ( -0.609 -2.273 -0.663) 2.445 16.239 ( -1.098 -2.348 -5.354) 5.949 16.477 ( -2.798 3.300 1.016) 4.444 16.684 ( 0.144 -2.179 5.712) 6.115 18.458 ( 0.314 -0.455 0.174) 0.579 18.573 ( 0.088 -2.466 4.110) 4.794 18.757 ( 0.442 2.818 0.741) 2.947 18.935 ( -1.095 -2.623 -0.382) 2.868 27.912 ( -0.608 -1.560 0.120) 1.678 27.985 ( 1.222 -1.596 0.655) 2.114 28.094 ( 0.081 -0.045 -0.119) 0.151 28.182 ( 0.250 -1.105 2.754) 2.978 29.164 ( 0.592 1.849 3.118) 3.673 29.266 ( -1.828 -0.149 2.482) 3.086 29.429 ( 1.011 3.556 3.520) 5.105 29.663 ( 1.993 -4.074 2.676) 5.266 29.982 ( -4.250 7.684 2.879) 9.241 30.188 ( 0.030 0.352 -0.560) 0.663 30.859 ( 0.345 8.136 -4.599) 9.352 30.954 ( -0.837 4.048 1.188) 4.301 31.400 ( 0.610 -1.712 -1.998) 2.701 32.249 ( -1.566 -5.805 -12.115) 13.525 32.717 ( -0.149 10.221 8.127) 13.059 33.909 ( 3.326 -15.286 -6.020) 16.762 ======================= Grid point 103 (51/168) ======================= q-point: (-0.40 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -12.319 10.401 -7.798) 17.909 2.546 ( -12.005 16.452 -3.906) 20.738 2.761 ( -11.041 -0.931 4.462) 11.945 2.799 ( -1.905 -3.320 1.689) 4.184 3.133 ( 2.062 6.838 0.785) 7.185 3.400 ( -5.769 7.069 3.490) 9.769 3.565 ( 6.435 2.074 3.281) 7.515 3.811 ( -0.260 9.777 -4.702) 10.852 3.880 ( -1.013 -6.891 -5.981) 9.180 4.160 ( 2.135 2.392 3.115) 4.470 4.379 ( -10.808 6.883 -9.250) 15.804 4.405 ( -3.790 -4.151 -0.126) 5.622 4.617 ( 0.891 -6.179 8.157) 10.272 4.757 ( -7.152 -4.399 -6.585) 10.670 5.089 ( 1.327 5.931 -1.643) 6.296 5.254 ( -7.048 0.260 3.066) 7.691 5.619 ( -5.096 -8.401 0.209) 9.828 5.646 ( 3.893 -8.923 2.100) 9.959 5.975 ( -6.355 -0.478 -3.206) 7.134 6.051 ( -7.660 -0.759 -1.377) 7.820 6.206 ( -4.671 2.504 2.600) 5.903 6.396 ( 0.671 -0.222 0.585) 0.918 6.620 ( 0.319 -2.225 -0.750) 2.370 6.755 ( -4.880 2.313 -5.894) 7.994 7.048 ( 7.217 -6.227 3.772) 10.251 7.118 ( -6.243 1.626 2.327) 6.858 7.431 ( 1.419 4.686 -0.266) 4.903 7.579 ( -1.643 5.787 3.080) 6.758 7.743 ( -1.701 5.285 -0.710) 5.597 8.018 ( -2.708 0.932 -9.014) 9.459 8.112 ( 3.519 2.400 -2.041) 4.723 8.362 ( -0.056 -0.762 -6.979) 7.021 8.709 ( 9.139 1.854 7.962) 12.261 8.947 ( -3.233 -5.956 5.766) 8.898 9.123 ( 1.309 1.978 -11.550) 11.791 9.499 ( -4.270 -1.649 -3.692) 5.881 11.304 ( 0.971 0.388 -6.859) 6.938 11.305 ( 3.774 -1.142 -0.896) 4.043 11.702 ( -0.347 0.281 4.056) 4.081 11.921 ( 3.895 -3.570 -3.124) 6.137 13.600 ( -0.030 -1.901 5.703) 6.011 13.718 ( 8.500 -3.879 6.708) 11.502 14.053 ( 6.086 5.596 0.671) 8.295 14.413 ( 5.926 -4.413 -0.316) 7.395 15.412 ( -0.571 7.286 4.016) 8.339 15.544 ( 1.409 8.376 0.348) 8.501 15.879 ( -0.627 -5.115 5.520) 7.551 15.974 ( 4.267 -1.863 -2.950) 5.512 16.150 ( -1.672 -3.054 -2.884) 4.521 16.198 ( 1.886 -3.335 -4.995) 6.295 16.471 ( -0.958 5.204 3.115) 6.141 16.756 ( 1.451 -2.600 4.515) 5.409 18.433 ( -4.425 -0.220 1.231) 4.598 18.583 ( -5.959 -2.232 5.392) 8.341 18.744 ( -3.329 0.307 0.902) 3.463 18.873 ( -5.655 -2.164 -0.873) 6.118 27.904 ( -0.704 -0.217 0.529) 0.907 28.011 ( 1.090 -1.082 0.238) 1.554 28.099 ( -0.519 -1.320 1.510) 2.072 28.214 ( 0.228 -1.888 2.291) 2.978 29.213 ( -0.281 1.576 4.349) 4.634 29.272 ( -1.036 0.363 2.777) 2.986 29.506 ( 1.916 5.395 6.754) 8.854 29.746 ( 2.752 -2.666 4.771) 6.119 29.964 ( -1.112 7.114 2.053) 7.487 30.220 ( 4.453 0.911 -0.303) 4.555 30.782 ( -0.811 11.062 -8.107) 13.739 31.002 ( 3.990 -1.568 1.683) 4.606 31.399 ( 2.357 -0.680 -2.122) 3.243 32.035 ( -6.165 -2.283 -13.630) 15.133 32.751 ( -6.782 6.938 7.300) 12.142 33.850 ( -1.417 -17.255 -7.131) 18.724 ======================= Grid point 104 (52/168) ======================= q-point: (-0.30 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -14.654 15.637 -5.214) 22.056 2.264 ( -16.662 18.754 -5.508) 25.685 2.651 ( -11.995 -3.805 8.821) 15.367 2.775 ( -3.734 -5.211 1.478) 6.579 3.140 ( -4.707 5.768 1.800) 7.659 3.299 ( -11.180 15.626 3.402) 19.513 3.639 ( -1.507 -4.167 -0.750) 4.494 3.711 ( -1.265 7.237 -7.742) 10.673 3.809 ( -2.713 -3.116 -4.368) 6.013 3.996 ( -17.756 7.430 -9.998) 21.690 4.165 ( -9.552 6.498 -1.230) 11.618 4.356 ( 1.901 -1.721 -0.049) 2.565 4.532 ( -10.990 -7.550 -5.193) 14.309 4.713 ( -1.532 -6.502 6.825) 9.550 5.018 ( -2.061 5.646 -6.988) 9.217 5.209 ( -3.676 1.497 5.206) 6.547 5.514 ( -7.466 -6.237 -1.094) 9.790 5.701 ( 0.916 -9.058 -2.132) 9.350 5.809 ( -11.406 -2.173 4.179) 12.341 5.924 ( -4.529 -3.477 -4.055) 7.004 6.101 ( -9.227 0.006 -0.083) 9.227 6.281 ( -4.509 -6.779 -3.032) 8.688 6.638 ( -0.181 8.708 -0.743) 8.742 6.890 ( 10.592 2.932 8.039) 13.617 7.065 ( -0.488 3.252 0.825) 3.390 7.153 ( 1.041 -1.658 -0.444) 2.007 7.420 ( -2.336 -1.317 0.543) 2.736 7.591 ( -6.185 5.578 2.923) 8.827 7.726 ( 2.689 -2.278 2.408) 4.268 7.914 ( 4.452 0.806 -7.079) 8.401 8.091 ( 0.145 1.480 -5.194) 5.402 8.324 ( 1.848 0.627 -2.724) 3.351 8.937 ( 6.723 -1.132 8.852) 11.174 8.982 ( -2.502 -5.252 8.023) 9.910 9.011 ( 1.417 1.133 -11.948) 12.085 9.367 ( -4.328 -0.904 -6.853) 8.155 11.239 ( 0.380 -1.447 -5.999) 6.182 11.356 ( 4.998 -3.855 -2.618) 6.833 11.730 ( -0.647 3.377 1.941) 3.948 11.963 ( 4.398 -1.574 -1.338) 4.859 13.681 ( 2.561 0.912 4.456) 5.220 13.962 ( 11.971 -4.837 6.455) 14.435 14.176 ( 7.922 5.025 0.351) 9.388 14.538 ( 9.827 -4.619 0.009) 10.859 15.447 ( 0.024 7.546 2.185) 7.856 15.601 ( 3.707 10.492 3.992) 11.822 15.885 ( 0.141 -3.485 -2.901) 4.536 16.030 ( 2.053 -1.323 2.048) 3.188 16.096 ( -0.241 -2.787 -4.593) 5.378 16.184 ( 3.509 -5.635 -3.497) 7.503 16.513 ( -0.088 5.420 5.477) 7.706 16.830 ( 2.289 -2.804 2.979) 4.688 18.349 ( -8.390 -0.262 2.144) 8.663 18.509 ( -10.849 -1.244 5.260) 12.121 18.661 ( -7.985 -3.657 -0.552) 8.800 18.747 ( -9.789 -2.204 0.733) 10.061 27.906 ( -0.066 1.071 1.063) 1.511 28.022 ( 0.359 0.080 -0.327) 0.492 28.106 ( -1.232 -2.204 1.920) 3.172 28.245 ( 0.919 -3.183 1.539) 3.653 29.239 ( -0.861 2.146 1.991) 3.052 29.303 ( -1.147 -0.067 5.172) 5.298 29.674 ( 6.980 8.030 11.877) 15.946 29.845 ( 3.828 2.584 2.739) 5.370 30.009 ( 1.972 4.327 5.013) 6.909 30.313 ( 7.336 1.683 -0.051) 7.526 30.655 ( -1.161 11.289 -10.655) 15.566 31.082 ( 4.640 -4.916 -0.927) 6.823 31.431 ( 4.408 -0.577 -1.383) 4.656 31.764 ( -8.148 0.327 -12.627) 15.031 32.678 ( -12.269 4.882 6.693) 14.805 33.686 ( -8.340 -21.007 -9.064) 24.352 ======================= Grid point 105 (53/168) ======================= q-point: (-0.20 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -15.763 20.588 0.662) 25.938 1.885 ( -22.743 19.869 -5.953) 30.781 2.581 ( -11.601 -4.253 10.004) 15.898 2.711 ( -5.609 -5.153 1.084) 7.693 2.984 ( -19.119 24.375 5.805) 31.518 3.126 ( -10.992 7.202 -4.711) 13.960 3.437 ( -15.037 -2.657 -4.819) 16.012 3.575 ( -13.798 3.048 -2.380) 14.329 3.668 ( 3.214 1.992 -6.226) 7.284 3.763 ( -3.698 4.144 -6.763) 8.752 4.013 ( -2.244 -0.308 -2.839) 3.632 4.293 ( -11.999 -3.208 0.210) 12.422 4.431 ( 4.161 -3.718 -2.005) 5.929 4.684 ( -5.913 -9.812 -0.451) 11.465 4.968 ( 2.429 8.319 -1.318) 8.766 5.231 ( -1.842 -0.645 4.594) 4.991 5.389 ( -6.166 -1.641 0.121) 6.382 5.567 ( -9.828 -3.737 -1.709) 10.653 5.790 ( -5.127 -4.218 4.607) 8.081 5.826 ( -1.015 -5.121 -1.788) 5.518 5.974 ( -6.739 -1.529 1.899) 7.166 6.241 ( 1.101 -6.142 0.004) 6.239 6.644 ( 1.637 9.741 -0.355) 9.884 7.010 ( 0.343 7.262 4.034) 8.315 7.058 ( -4.681 -0.116 -2.280) 5.208 7.193 ( 6.335 0.944 -1.027) 6.487 7.395 ( -1.943 -2.781 1.184) 3.593 7.451 ( -8.228 4.185 -1.137) 9.301 7.788 ( -0.655 -5.742 -1.068) 5.877 8.024 ( 9.595 4.426 1.713) 10.705 8.094 ( 6.172 -3.881 0.073) 7.291 8.332 ( 2.901 -0.402 -2.176) 3.648 8.872 ( -1.044 -2.767 -13.513) 13.832 9.026 ( -6.934 -4.233 9.481) 12.486 9.113 ( 3.968 -1.937 6.761) 8.075 9.227 ( -2.500 -1.035 -5.821) 6.420 11.185 ( 0.996 -1.524 -4.868) 5.197 11.403 ( 4.223 -5.857 -1.731) 7.425 11.726 ( -0.835 5.883 -0.421) 5.957 12.018 ( 3.593 -1.253 -0.624) 3.856 13.781 ( 4.729 4.632 2.757) 7.170 14.217 ( 10.989 -4.518 5.194) 12.968 14.290 ( 6.613 4.644 -1.095) 8.154 14.706 ( 10.710 -5.038 -0.170) 11.837 15.458 ( 0.334 7.040 -0.422) 7.060 15.769 ( 11.675 11.965 0.610) 16.729 15.847 ( 0.028 -2.316 -0.135) 2.320 16.028 ( -0.983 -2.664 -4.748) 5.532 16.052 ( -0.977 -2.940 0.206) 3.105 16.241 ( 7.491 -3.891 -2.642) 8.846 16.587 ( -0.634 3.958 7.876) 8.838 16.890 ( 1.769 -3.059 1.468) 3.826 18.225 ( -10.758 -0.783 2.967) 11.187 18.375 ( -13.104 -1.636 4.955) 14.105 18.474 ( -13.539 -4.775 -2.203) 14.524 18.578 ( -12.588 -2.950 0.774) 12.952 27.928 ( 0.950 2.044 1.433) 2.671 28.016 ( -0.406 0.514 -0.751) 0.996 28.100 ( -1.563 -1.894 0.937) 2.628 28.276 ( 1.255 -4.539 0.707) 4.762 29.240 ( -0.355 2.366 -0.081) 2.394 29.337 ( -2.528 -0.711 5.377) 5.984 29.918 ( 3.298 5.104 2.130) 6.439 30.042 ( 22.090 14.104 9.210) 27.779 30.114 ( -0.136 0.909 7.747) 7.801 30.439 ( 4.242 4.682 3.550) 7.247 30.543 ( 5.607 8.710 -8.078) 13.136 31.112 ( 3.189 -8.751 -4.352) 10.281 31.486 ( 0.889 0.730 -3.062) 3.271 31.533 ( -1.324 1.628 -7.035) 7.341 32.530 ( -15.530 2.600 6.438) 17.012 33.342 ( -20.648 -23.353 -12.500) 33.585 ======================= Grid point 106 (54/168) ======================= q-point: (-0.10 0.29 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -21.126 21.441 4.346) 30.413 1.548 ( -11.872 26.522 5.242) 29.527 2.452 ( -12.583 -0.510 0.140) 12.594 2.693 ( -1.033 -6.925 6.634) 9.645 2.759 ( -14.937 34.637 6.306) 38.244 2.867 ( -13.758 3.695 -3.328) 14.629 3.187 ( -8.346 -5.053 -2.595) 10.096 3.422 ( -5.042 4.403 0.146) 6.695 3.646 ( 2.456 4.248 -7.347) 8.834 3.683 ( 2.755 0.187 -4.491) 5.272 4.002 ( 0.578 -4.963 1.841) 5.325 4.143 ( -7.503 -0.226 1.903) 7.744 4.473 ( 3.884 -4.749 -1.508) 6.318 4.598 ( -2.779 -7.303 -0.609) 7.837 5.000 ( 1.313 4.741 -0.398) 4.935 5.217 ( -1.267 -3.845 -2.066) 4.545 5.379 ( -5.083 3.197 10.968) 12.504 5.420 ( -5.273 -1.414 0.742) 5.510 5.731 ( -1.637 -3.413 -1.111) 3.945 5.813 ( -4.065 -1.433 3.344) 5.455 5.950 ( -2.868 -4.624 5.753) 7.919 6.279 ( 2.053 -3.907 0.762) 4.479 6.701 ( 3.520 8.365 2.283) 9.358 6.972 ( -0.953 1.483 -2.314) 2.910 7.057 ( -0.327 4.896 3.137) 5.824 7.223 ( 1.511 0.548 -2.142) 2.678 7.314 ( -5.233 -3.241 0.447) 6.172 7.448 ( 3.482 5.478 1.124) 6.588 7.705 ( -3.969 -4.811 -3.442) 7.123 8.102 ( -1.697 0.794 0.893) 2.075 8.258 ( 12.274 -5.688 -3.636) 14.008 8.360 ( 2.652 1.849 -2.090) 3.849 8.680 ( -3.943 -2.657 -9.293) 10.439 8.937 ( -8.405 -3.846 -0.447) 9.254 9.169 ( -0.359 1.342 -1.066) 1.751 9.233 ( -0.792 -4.821 7.420) 8.884 11.168 ( 2.150 -0.767 -2.148) 3.134 11.452 ( 2.767 -6.954 0.525) 7.502 11.702 ( -0.266 7.347 -1.788) 7.566 12.053 ( 2.192 -1.750 -1.543) 3.201 13.881 ( 3.945 6.801 1.646) 8.032 14.351 ( 4.205 6.754 -2.868) 8.457 14.408 ( 5.901 -6.063 3.318) 9.088 14.841 ( 6.899 -5.486 -1.744) 8.985 15.457 ( 0.690 6.670 -0.765) 6.750 15.741 ( 3.894 2.240 -14.794) 15.461 15.959 ( 0.580 -3.036 -6.504) 7.201 16.023 ( 0.536 -4.746 -1.441) 4.989 16.114 ( 10.946 4.451 14.460) 18.674 16.335 ( 7.632 0.492 -2.211) 7.961 16.657 ( -2.974 1.506 8.429) 9.064 16.909 ( -0.867 -3.595 -0.048) 3.698 18.076 ( -15.637 -2.798 4.239) 16.441 18.156 ( -17.712 -4.024 1.398) 18.217 18.268 ( -6.914 2.430 0.193) 7.331 18.412 ( -6.413 -1.734 -1.415) 6.792 27.964 ( 1.427 2.306 1.034) 2.902 27.991 ( -1.127 0.519 -1.172) 1.707 28.081 ( -1.166 -1.394 -0.426) 1.867 28.294 ( 0.654 -5.052 -0.466) 5.115 29.228 ( 0.105 2.108 -1.546) 2.616 29.343 ( -3.407 -1.143 3.823) 5.247 29.953 ( 4.868 8.593 -9.890) 13.977 30.071 ( -3.770 3.666 -6.195) 8.126 30.401 ( 8.266 8.627 -2.523) 12.211 30.523 ( 5.379 8.694 8.251) 13.138 30.913 ( 23.453 -4.774 19.978) 31.177 31.112 ( 1.853 -9.681 -0.356) 9.863 31.419 ( 7.684 5.708 -2.251) 9.833 31.572 ( 5.566 -1.838 -3.023) 6.595 32.322 ( -20.060 0.775 2.214) 20.196 32.770 ( -29.119 -13.673 -9.547) 33.556 ======================= Grid point 107 (55/168) ======================= q-point: ( 0.00 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.438 19.141 5.762) 20.138 2.037 ( 1.047 -6.806 -0.625) 6.914 2.114 ( -1.466 14.937 7.004) 16.563 2.484 ( -1.672 -14.365 4.429) 15.125 2.893 ( 4.581 3.709 3.686) 6.952 2.992 ( 2.596 -5.594 0.872) 6.228 3.430 ( -1.255 18.095 0.907) 18.161 3.483 ( -2.042 8.344 -1.413) 8.706 3.647 ( 3.351 -0.448 -2.054) 3.955 3.787 ( 4.159 0.895 0.371) 4.270 3.915 ( -0.357 1.305 4.651) 4.843 4.092 ( -0.126 -5.569 5.560) 7.870 4.443 ( 2.038 -1.625 2.056) 3.320 4.476 ( -0.209 -4.460 2.805) 5.273 5.052 ( 0.361 1.620 -3.780) 4.128 5.110 ( 1.214 -4.108 -3.215) 5.356 5.389 ( -5.144 7.640 5.113) 10.534 5.547 ( -2.399 -1.398 7.893) 8.367 5.592 ( -0.847 -2.724 6.406) 7.012 5.710 ( -1.920 -8.107 8.294) 11.756 6.010 ( -0.835 5.672 2.817) 6.388 6.164 ( -1.579 -8.297 1.950) 8.667 6.888 ( -1.461 6.066 1.956) 6.539 6.978 ( -1.869 -2.286 0.944) 3.100 7.126 ( 2.521 3.233 1.404) 4.334 7.205 ( 1.344 -4.641 3.362) 5.886 7.388 ( 3.674 8.468 -4.292) 10.179 7.475 ( -0.044 1.550 -9.289) 9.417 7.752 ( 2.998 5.607 2.161) 6.715 7.943 ( 0.964 -10.864 -3.000) 11.312 8.257 ( 1.077 1.267 -3.949) 4.285 8.317 ( -0.405 -3.713 -0.959) 3.856 8.653 ( 0.613 3.799 -2.208) 4.437 8.743 ( -1.763 -4.549 -1.429) 5.084 9.163 ( -1.359 2.204 -1.619) 3.054 9.212 ( 0.603 -2.769 1.050) 3.022 11.235 ( 1.880 3.654 1.807) 4.489 11.346 ( 1.005 -6.846 2.894) 7.500 11.845 ( 1.181 7.545 -3.293) 8.316 11.979 ( 1.220 -5.120 -3.096) 6.107 14.082 ( -2.034 8.792 0.444) 9.035 14.267 ( -2.280 -8.451 -0.359) 8.761 14.551 ( 0.095 8.331 -2.641) 8.740 14.724 ( -0.006 -7.834 -3.407) 8.543 15.612 ( 1.506 6.591 -2.083) 7.075 15.670 ( 1.884 1.100 -9.785) 10.025 15.829 ( 1.067 -1.518 -7.679) 7.900 15.883 ( 1.151 -6.309 -2.460) 6.869 16.399 ( 1.613 3.037 6.011) 6.925 16.454 ( 3.754 -1.704 4.112) 5.823 16.691 ( -5.925 2.582 3.137) 7.184 16.770 ( -3.753 -4.477 -0.792) 5.896 17.928 ( -4.463 3.242 1.952) 5.851 17.992 ( -3.458 -2.773 1.715) 4.753 18.273 ( 1.115 2.498 0.171) 2.741 18.324 ( 1.732 -2.379 -0.084) 2.944 27.976 ( -0.959 1.175 -1.501) 2.134 28.000 ( -0.174 -0.965 -1.286) 1.617 28.083 ( 0.371 3.599 -0.115) 3.620 28.179 ( 0.100 -5.154 -0.907) 5.234 29.249 ( -1.007 2.127 -0.793) 2.483 29.293 ( -2.268 -1.925 1.204) 3.209 29.919 ( -3.786 4.367 -15.905) 16.922 29.969 ( -3.266 -0.544 -12.091) 12.536 30.641 ( 1.532 9.967 1.309) 10.169 30.818 ( -5.390 -2.657 0.676) 6.047 30.926 ( 2.852 3.116 10.204) 11.044 31.092 ( -1.100 -8.455 10.168) 13.270 31.599 ( 3.667 1.271 -0.531) 3.917 31.657 ( 5.593 -4.204 5.211) 8.724 32.192 ( -0.107 9.424 -0.677) 9.449 32.390 ( 3.818 -9.503 2.483) 10.538 ======================= Grid point 108 (56/168) ======================= q-point: ( 0.10 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 14.739 10.586 4.820) 18.776 2.092 ( 9.581 -5.178 -2.962) 11.286 2.250 ( 4.586 17.094 10.027) 20.341 2.531 ( 1.884 -9.650 4.763) 10.925 3.044 ( 6.490 5.956 1.979) 9.028 3.180 ( 14.170 -6.291 3.378) 15.867 3.438 ( -0.379 9.717 -2.716) 10.096 3.519 ( 9.901 5.371 1.962) 11.433 3.742 ( 10.916 2.667 0.112) 11.237 3.888 ( 7.431 -5.634 1.117) 9.392 4.003 ( 2.774 10.036 7.258) 12.692 4.185 ( 3.106 -4.628 5.326) 7.709 4.475 ( -2.142 -0.362 2.338) 3.191 4.523 ( 0.647 -5.367 5.044) 7.394 5.026 ( 1.808 0.986 -3.309) 3.897 5.093 ( 3.098 -5.479 -5.804) 8.562 5.384 ( -4.608 9.037 7.437) 12.578 5.575 ( -3.140 -8.028 5.381) 10.162 5.704 ( 0.796 2.425 12.644) 12.899 5.815 ( 1.014 -7.419 11.052) 13.350 6.042 ( 1.025 4.788 2.703) 5.593 6.171 ( -0.409 -7.158 2.727) 7.671 6.869 ( -3.041 5.614 0.926) 6.451 6.929 ( -3.052 -0.202 -3.085) 4.345 7.128 ( -0.582 2.705 -3.298) 4.305 7.219 ( -1.276 -5.825 -2.606) 6.508 7.442 ( 3.615 7.138 -0.646) 8.027 7.459 ( 3.246 5.291 -0.174) 6.210 7.763 ( -0.857 3.969 0.217) 4.066 7.969 ( 6.472 -11.492 -0.949) 13.223 8.204 ( -1.530 5.228 -2.042) 5.817 8.307 ( 1.424 -4.442 -1.145) 4.803 8.651 ( 2.995 1.139 -4.422) 5.461 8.718 ( 0.957 -5.007 -4.060) 6.517 9.138 ( 1.574 5.520 -0.857) 5.803 9.247 ( 3.248 -4.648 0.110) 5.672 11.286 ( 1.087 3.719 2.658) 4.699 11.395 ( -0.123 -6.674 4.285) 7.932 11.819 ( 0.579 7.731 -4.038) 8.741 11.957 ( 0.464 -5.400 -3.142) 6.264 13.993 ( -8.840 7.869 -0.378) 11.841 14.157 ( -9.699 -7.357 -1.627) 12.282 14.482 ( -4.128 7.202 -3.099) 8.861 14.637 ( -4.861 -7.300 -4.038) 9.655 15.559 ( -0.545 5.707 -7.657) 9.565 15.626 ( 2.877 0.870 -4.941) 5.783 15.765 ( 1.291 1.628 -6.424) 6.752 15.885 ( 2.311 -7.416 -2.851) 8.274 16.417 ( -9.010 3.466 8.031) 12.558 16.482 ( -5.624 -1.406 4.684) 7.452 16.622 ( -5.196 2.048 0.961) 5.667 16.711 ( -0.511 -5.261 -3.247) 6.203 17.979 ( 8.103 2.116 0.346) 8.382 18.030 ( 5.953 -2.542 0.623) 6.503 18.353 ( 7.985 2.965 0.444) 8.529 18.415 ( 8.306 -2.998 1.138) 8.903 27.940 ( -0.951 1.758 -1.801) 2.691 27.977 ( -0.170 -1.714 -2.021) 2.655 28.089 ( 0.494 3.005 -0.092) 3.047 28.164 ( -0.225 -3.912 -1.417) 4.167 29.222 ( -0.779 2.372 -1.335) 2.831 29.271 ( -1.747 -2.064 0.656) 2.782 29.684 ( -3.291 5.400 -13.695) 15.085 29.773 ( -3.165 -3.340 -11.567) 12.449 30.588 ( -9.894 6.894 0.155) 12.060 30.661 ( -12.195 0.137 0.409) 12.203 31.045 ( 0.856 7.490 8.674) 11.493 31.225 ( 1.066 -8.474 11.502) 14.326 31.557 ( -6.288 4.355 -0.370) 7.658 31.687 ( -6.322 -6.324 5.495) 10.495 32.364 ( 18.030 14.544 -0.200) 23.166 32.704 ( 24.959 -17.712 2.839) 30.737 ======================= Grid point 109 (57/168) ======================= q-point: ( 0.20 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 12.716 4.650 7.251) 15.359 2.272 ( 12.351 -0.343 3.399) 12.814 2.477 ( 11.928 10.674 5.841) 17.039 2.644 ( 5.809 -5.231 3.623) 8.616 3.141 ( 6.592 11.542 -2.370) 13.501 3.340 ( 5.397 -2.146 -5.798) 8.207 3.436 ( 3.806 6.729 -0.219) 7.734 3.671 ( 4.561 -10.900 0.912) 11.851 3.989 ( 15.508 2.208 0.427) 15.671 4.042 ( 10.444 -2.566 -1.723) 10.892 4.148 ( 5.318 12.646 5.980) 14.966 4.315 ( 8.330 -3.705 3.261) 9.682 4.456 ( -3.205 3.835 3.267) 5.971 4.581 ( -1.584 -7.417 6.901) 10.254 5.039 ( 4.082 0.969 -3.112) 5.224 5.088 ( 5.685 -5.255 -6.402) 10.046 5.402 ( -4.987 7.963 8.112) 12.413 5.585 ( -4.220 -9.136 6.562) 12.014 5.899 ( 3.847 2.214 13.279) 14.001 5.961 ( 1.098 -3.281 8.535) 9.209 6.127 ( 5.375 2.864 4.691) 7.688 6.230 ( 3.050 -6.765 5.167) 9.043 6.810 ( -3.293 4.487 -4.291) 7.028 6.826 ( -3.088 1.460 -3.390) 4.813 7.035 ( -3.966 1.858 -7.043) 8.293 7.122 ( -5.083 -4.920 -5.716) 9.095 7.450 ( 1.532 3.026 1.244) 3.613 7.469 ( -0.284 1.621 -1.730) 2.388 7.848 ( 6.931 10.916 3.707) 13.451 8.070 ( 5.912 -6.618 -0.591) 8.893 8.230 ( 3.257 5.564 3.425) 7.301 8.351 ( 3.422 -5.564 1.579) 6.720 8.634 ( 1.412 -1.425 -4.428) 4.861 8.658 ( 0.341 -3.171 -6.920) 7.620 9.201 ( 5.411 4.372 0.796) 7.002 9.311 ( 5.433 -4.743 -1.545) 7.376 11.326 ( 0.326 4.185 2.349) 4.810 11.440 ( -0.749 -6.723 4.788) 8.287 11.764 ( -1.043 8.330 -4.935) 9.739 11.918 ( -0.918 -6.297 -3.228) 7.136 13.817 ( -12.168 5.790 -0.160) 13.477 13.944 ( -14.026 -6.105 -1.477) 15.368 14.364 ( -6.218 6.336 -2.767) 9.299 14.500 ( -6.630 -6.551 -3.089) 9.819 15.477 ( 0.249 6.857 -5.355) 8.703 15.605 ( 1.685 -4.882 -4.717) 6.994 15.726 ( 1.135 6.678 -3.806) 7.770 15.879 ( 2.028 -7.032 -4.177) 8.427 16.341 ( -9.174 3.760 5.658) 11.415 16.426 ( -8.411 -3.901 5.702) 10.884 16.565 ( -1.947 3.785 -0.573) 4.295 16.662 ( -1.554 -4.908 -2.608) 5.771 18.144 ( 11.749 0.132 -0.634) 11.767 18.165 ( 9.554 -1.556 0.250) 9.683 18.510 ( 10.416 3.384 0.489) 10.963 18.583 ( 10.070 -3.514 1.506) 10.771 27.910 ( -0.518 1.762 -1.352) 2.281 27.952 ( -0.062 -2.189 -1.851) 2.867 28.097 ( 0.562 1.992 0.078) 2.072 28.143 ( -0.097 -2.252 -1.649) 2.793 29.196 ( -0.843 2.821 -0.917) 3.083 29.253 ( -1.567 -2.421 0.855) 3.008 29.521 ( -1.168 5.257 -8.266) 9.866 29.623 ( -1.504 -4.601 -7.853) 9.225 30.403 ( -12.704 6.096 1.833) 14.210 30.479 ( -11.119 -1.263 0.307) 11.194 31.159 ( -0.303 9.462 7.436) 12.038 31.271 ( -9.915 1.570 7.539) 12.554 31.477 ( -2.010 1.193 -1.775) 2.935 31.696 ( 3.848 -14.326 3.194) 15.174 32.662 ( 18.119 20.560 -0.124) 27.405 33.098 ( 20.935 -21.031 0.563) 29.680 ======================= Grid point 110 (58/168) ======================= q-point: ( 0.30 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 5.915 3.975 8.393) 11.010 2.524 ( 9.334 -1.474 8.306) 12.581 2.729 ( 12.899 5.762 2.771) 14.397 2.788 ( 8.128 -0.193 2.153) 8.410 3.204 ( 5.662 11.715 -4.005) 13.614 3.311 ( 3.855 4.902 -8.365) 10.434 3.478 ( 1.098 2.734 -1.077) 3.137 3.714 ( 1.502 -15.696 -0.206) 15.769 4.093 ( 2.770 -0.458 -5.384) 6.072 4.119 ( 4.338 -3.629 -2.504) 6.185 4.288 ( 1.843 8.278 3.579) 9.205 4.393 ( -4.670 1.401 4.172) 6.417 4.578 ( 12.971 4.732 2.046) 13.958 4.693 ( 8.255 -6.856 3.587) 11.315 5.051 ( 4.066 3.372 -5.562) 7.671 5.143 ( 7.952 -6.661 -3.316) 10.890 5.395 ( -6.765 6.959 6.583) 11.727 5.573 ( -6.837 -9.713 5.631) 13.145 6.020 ( 1.304 3.543 2.076) 4.309 6.086 ( 2.476 -2.329 7.035) 7.813 6.279 ( 4.374 4.580 6.115) 8.803 6.395 ( 4.965 -4.781 6.041) 9.165 6.662 ( -4.243 3.839 -3.067) 6.493 6.782 ( -0.529 -5.570 -4.370) 7.100 6.919 ( 0.993 3.981 -1.731) 4.453 7.019 ( -0.673 -4.470 -1.250) 4.690 7.479 ( 4.850 5.001 -2.807) 7.511 7.526 ( 4.401 0.234 1.423) 4.631 7.968 ( 3.157 10.782 1.827) 11.382 8.134 ( 3.000 -3.718 -1.912) 5.146 8.315 ( 1.579 4.940 1.904) 5.525 8.408 ( 1.948 -3.965 -0.319) 4.429 8.555 ( -1.418 3.471 -5.522) 6.675 8.670 ( 4.222 -6.432 1.282) 7.800 9.293 ( 4.742 1.655 -0.193) 5.026 9.374 ( 5.216 -4.523 -2.118) 7.222 11.353 ( -0.025 5.202 2.158) 5.632 11.480 ( -0.713 -6.967 3.913) 8.022 11.674 ( -2.529 8.997 -5.195) 10.693 11.851 ( -2.298 -7.792 -3.859) 8.994 13.634 ( -10.828 3.078 1.160) 11.317 13.714 ( -13.215 -4.374 0.277) 13.923 14.235 ( -6.042 6.425 -1.989) 9.041 14.370 ( -6.016 -6.278 -1.837) 8.887 15.451 ( 1.307 6.772 -1.545) 7.068 15.587 ( 1.588 -6.142 -2.261) 6.734 15.707 ( 0.836 7.726 -2.342) 8.116 15.860 ( 2.003 -6.468 -4.241) 7.990 16.274 ( -4.942 3.336 2.081) 6.315 16.353 ( -5.953 -4.106 1.339) 7.355 16.548 ( -1.755 2.439 2.353) 3.816 16.608 ( -2.468 -3.088 -0.637) 4.004 18.306 ( 9.359 -0.087 -0.889) 9.402 18.320 ( 8.873 -1.334 0.847) 9.013 18.670 ( 8.462 3.508 0.580) 9.179 18.745 ( 7.835 -3.595 1.271) 8.714 27.895 ( -0.020 1.243 -0.528) 1.351 27.934 ( -0.030 -2.347 -1.037) 2.566 28.109 ( 0.547 0.856 0.503) 1.134 28.127 ( 0.307 -0.706 -1.351) 1.555 29.179 ( -0.813 3.045 0.425) 3.180 29.241 ( -1.763 -2.668 1.685) 3.615 29.453 ( 0.745 4.413 -3.459) 5.657 29.546 ( 0.156 -4.600 -3.805) 5.971 30.254 ( -9.224 5.567 2.492) 11.058 30.327 ( -8.633 -1.648 0.628) 8.811 31.114 ( -8.927 4.807 0.777) 10.168 31.197 ( -8.250 1.296 4.046) 9.280 31.471 ( 3.705 10.745 -0.876) 11.399 31.835 ( 7.653 -19.771 1.836) 21.280 32.907 ( 12.972 23.131 -0.619) 26.527 33.368 ( 14.025 -20.970 -1.527) 25.273 ======================= Grid point 111 (59/168) ======================= q-point: ( 0.40 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -0.214 5.217 2.534) 5.804 2.691 ( 0.890 -6.012 4.827) 7.762 2.925 ( 5.859 5.680 2.991) 8.691 2.941 ( 6.727 3.894 1.735) 7.964 3.223 ( 5.225 11.299 -5.384) 13.563 3.322 ( 6.877 1.872 -3.832) 8.092 3.466 ( -1.438 4.871 1.158) 5.210 3.716 ( -0.301 -17.318 -1.473) 17.383 4.053 ( 2.145 2.124 -5.896) 6.623 4.142 ( 2.305 -5.507 -2.154) 6.346 4.312 ( -3.206 4.148 4.906) 7.180 4.360 ( -5.588 2.894 5.419) 8.304 4.744 ( 8.413 3.644 -5.399) 10.640 4.829 ( 7.370 -5.277 -4.164) 9.975 5.079 ( 5.701 6.839 -1.764) 9.077 5.243 ( 6.292 -8.264 0.218) 10.389 5.357 ( -5.736 4.636 5.551) 9.231 5.511 ( -7.422 -9.459 4.902) 12.984 6.059 ( 1.030 4.403 1.260) 4.694 6.161 ( 0.396 -4.031 2.566) 4.795 6.364 ( 1.008 7.919 1.017) 8.048 6.421 ( -0.709 7.540 -0.306) 7.579 6.660 ( 0.285 -6.742 0.416) 6.761 6.726 ( -1.125 -8.672 -0.608) 8.766 7.030 ( 5.993 0.855 2.343) 6.492 7.058 ( 3.652 -1.404 2.265) 4.521 7.526 ( 4.653 6.971 -2.470) 8.738 7.603 ( 3.612 -0.246 0.280) 3.631 7.987 ( -0.643 9.902 -1.234) 9.999 8.112 ( 0.330 -1.270 -4.713) 4.892 8.299 ( 0.414 1.133 -5.912) 6.034 8.378 ( -0.943 -6.463 -4.970) 8.207 8.550 ( 1.411 11.192 3.573) 11.833 8.763 ( 1.832 -8.110 4.298) 9.360 9.327 ( 2.632 2.650 -3.790) 5.321 9.429 ( 3.335 -6.285 -0.515) 7.133 11.368 ( -0.745 5.607 0.624) 5.691 11.476 ( -1.523 -3.587 -3.386) 5.162 11.610 ( -0.637 5.804 1.051) 5.932 11.776 ( -0.959 -8.659 -3.163) 9.268 13.521 ( -6.160 0.848 3.196) 6.991 13.558 ( -8.380 -2.615 3.003) 9.278 14.143 ( -3.161 6.661 -0.990) 7.439 14.278 ( -3.210 -6.174 -0.989) 7.028 15.474 ( 1.137 6.663 1.825) 7.002 15.608 ( 1.633 -5.453 1.344) 5.849 15.700 ( 0.869 7.120 -1.141) 7.263 15.851 ( 2.325 -6.422 -3.192) 7.539 16.226 ( -1.883 1.675 -1.338) 2.853 16.272 ( -3.041 -2.634 -2.843) 4.926 16.548 ( -2.296 1.706 2.721) 3.948 16.590 ( -1.518 -2.125 3.529) 4.390 18.418 ( 5.243 0.737 -0.020) 5.295 18.447 ( 5.227 -1.973 1.447) 5.771 18.780 ( 4.255 3.355 0.743) 5.469 18.849 ( 3.670 -3.319 0.869) 5.024 27.895 ( 0.192 0.687 0.278) 0.766 27.929 ( 0.121 -2.222 0.048) 2.226 28.115 ( 0.232 0.874 -0.553) 1.060 28.132 ( 0.587 -0.718 0.799) 1.224 29.182 ( -0.678 2.803 2.224) 3.642 29.238 ( -1.822 -2.349 2.740) 4.043 29.454 ( 1.570 3.699 0.233) 4.025 29.535 ( 1.191 -4.130 -0.028) 4.299 30.166 ( -5.593 4.880 2.316) 7.776 30.225 ( -5.108 -1.128 0.667) 5.274 30.994 ( -4.724 4.758 -1.568) 6.886 31.096 ( -5.742 -2.836 -0.828) 6.457 31.527 ( 3.065 15.907 -0.558) 16.209 31.937 ( 4.094 -21.179 -1.223) 21.605 33.055 ( 6.905 23.309 -0.910) 24.327 33.511 ( 7.643 -20.226 -3.102) 21.844 ======================= Grid point 112 (60/168) ======================= q-point: (-0.50 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -5.318 6.869 -2.914) 9.163 2.677 ( -5.216 -7.948 0.270) 9.511 2.940 ( -3.707 7.160 -1.413) 8.186 2.973 ( -2.844 3.954 -1.438) 5.079 3.281 ( 5.042 10.846 -1.821) 12.098 3.423 ( 6.274 -0.617 1.056) 6.393 3.493 ( 1.254 3.665 4.354) 5.828 3.681 ( -1.004 -15.346 -1.980) 15.505 4.043 ( 4.353 5.730 -5.227) 8.894 4.162 ( 2.948 -4.726 -1.003) 5.660 4.319 ( -3.726 2.406 6.116) 7.555 4.365 ( -2.324 0.570 7.402) 7.779 4.728 ( 0.894 3.688 -8.819) 9.601 4.818 ( -0.119 -5.222 -7.630) 9.246 5.173 ( 5.107 7.535 1.383) 9.208 5.310 ( -2.368 -1.244 4.483) 5.221 5.379 ( 2.216 -4.028 3.264) 5.638 5.476 ( -5.685 -8.457 6.895) 12.304 6.061 ( -1.854 3.747 -0.569) 4.219 6.150 ( -3.761 -3.194 -0.444) 4.954 6.375 ( -3.335 6.033 0.685) 6.928 6.409 ( 1.492 6.827 -0.614) 7.015 6.641 ( -3.031 -4.093 -1.866) 5.424 6.729 ( 4.084 -8.496 1.454) 9.538 7.015 ( -4.624 4.066 -3.869) 7.272 7.116 ( -2.469 -4.605 1.753) 5.511 7.566 ( 1.850 6.693 -0.895) 7.001 7.637 ( 0.061 0.010 0.402) 0.407 7.955 ( 0.238 9.690 -2.772) 10.082 8.089 ( 3.270 -2.266 -3.674) 5.415 8.216 ( 0.127 3.259 -8.888) 9.468 8.320 ( 2.853 -6.637 -6.926) 10.008 8.622 ( 1.285 8.117 4.930) 9.583 8.804 ( -2.206 -8.278 3.742) 9.349 9.301 ( 0.973 5.894 -5.301) 7.987 9.452 ( 0.550 -7.517 -1.315) 7.651 11.332 ( -1.155 3.410 -3.240) 4.843 11.387 ( -1.102 -1.175 -6.848) 7.034 11.661 ( 2.027 3.260 4.252) 5.729 11.773 ( 3.075 -6.733 -0.484) 7.418 13.518 ( -0.972 -0.826 4.849) 5.015 13.524 ( -1.481 -1.257 5.824) 6.140 14.120 ( 1.312 6.566 -0.206) 6.699 14.253 ( 1.176 -5.985 -0.452) 6.116 15.522 ( 0.259 7.387 4.423) 8.614 15.659 ( 0.939 -2.466 3.209) 4.155 15.715 ( 1.246 3.871 1.339) 4.281 15.860 ( 2.694 -6.509 -2.164) 7.369 16.177 ( -1.271 0.046 -3.299) 3.535 16.197 ( -0.220 -1.668 -5.296) 5.557 16.551 ( -1.383 3.750 3.287) 5.175 16.626 ( -0.329 -3.332 4.748) 5.809 18.468 ( 0.334 1.449 1.011) 1.798 18.514 ( 0.180 -2.805 2.621) 3.843 18.818 ( -0.590 2.927 0.711) 3.070 18.878 ( -1.079 -2.851 0.428) 3.078 27.905 ( 0.102 0.840 0.876) 1.218 27.941 ( 0.544 -2.335 1.033) 2.611 28.113 ( 0.039 1.627 -0.200) 1.639 28.150 ( 0.207 -1.803 1.166) 2.157 29.207 ( -0.707 2.175 3.923) 4.541 29.247 ( -1.591 -1.548 3.551) 4.187 29.503 ( 1.812 3.638 3.611) 5.436 29.581 ( 1.993 -3.849 3.525) 5.587 30.123 ( -2.481 5.148 1.266) 5.853 30.185 ( -0.816 -1.067 0.708) 1.518 30.940 ( 0.747 3.394 -2.541) 4.305 31.014 ( -1.007 -2.151 -3.955) 4.614 31.540 ( 0.009 15.552 -1.321) 15.608 31.929 ( -0.809 -19.591 -4.613) 20.143 33.104 ( 0.592 21.698 -0.915) 21.725 33.541 ( 1.629 -19.751 -4.390) 20.298 ======================= Grid point 113 (61/168) ======================= q-point: (-0.40 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -9.008 9.980 -4.181) 14.079 2.565 ( -8.628 -9.889 0.550) 13.136 2.814 ( -9.038 7.327 -3.028) 12.023 2.861 ( -7.415 2.358 -1.930) 8.016 3.304 ( 0.172 9.692 -0.630) 9.714 3.489 ( 2.199 -3.063 -2.352) 4.444 3.567 ( 0.354 0.858 3.864) 3.974 3.660 ( 0.566 -9.202 -0.117) 9.220 4.050 ( 2.927 10.609 -5.076) 12.119 4.212 ( 4.025 -4.252 -0.699) 5.897 4.326 ( -5.044 5.487 5.919) 9.517 4.442 ( -1.029 -2.937 6.690) 7.379 4.587 ( -7.090 1.209 -4.965) 8.739 4.651 ( -9.503 -5.136 -7.670) 13.248 5.225 ( -0.758 6.239 -1.115) 6.383 5.296 ( -3.777 2.665 3.134) 5.584 5.424 ( -3.180 -6.114 3.688) 7.816 5.490 ( -2.387 -7.345 6.829) 10.309 5.965 ( -7.455 1.889 -4.760) 9.045 6.016 ( -9.733 -2.112 -4.098) 10.770 6.282 ( -6.255 1.798 -1.043) 6.591 6.330 ( -7.903 -3.779 -4.512) 9.854 6.703 ( 10.369 8.061 6.120) 14.489 6.874 ( -1.575 0.079 0.586) 1.683 6.898 ( 6.845 0.079 2.033) 7.141 7.061 ( -4.258 -6.642 0.804) 7.930 7.534 ( -3.597 5.100 -1.893) 6.522 7.620 ( -3.073 -2.175 1.197) 3.950 7.911 ( -1.435 9.519 -4.293) 10.541 8.045 ( -1.307 -1.466 -8.650) 8.870 8.157 ( 4.180 4.542 -6.775) 9.165 8.297 ( 3.404 -6.035 -7.121) 9.935 8.717 ( 3.379 1.515 5.670) 6.772 8.811 ( -2.209 -6.727 5.276) 8.830 9.242 ( -0.505 8.403 -5.506) 10.059 9.411 ( -1.983 -6.769 -3.924) 8.072 11.285 ( 0.344 -0.105 -3.801) 3.818 11.298 ( 0.960 -0.963 -7.753) 7.871 11.750 ( 3.035 3.847 3.517) 6.032 11.838 ( 4.638 -4.301 0.289) 6.331 13.593 ( 2.884 1.143 6.133) 6.873 13.641 ( 5.960 -3.269 6.739) 9.572 14.178 ( 5.814 6.254 0.227) 8.542 14.305 ( 5.780 -5.793 -0.098) 8.184 15.579 ( -0.332 8.263 5.189) 9.763 15.703 ( 0.731 3.047 2.793) 4.198 15.771 ( 1.168 -1.726 4.020) 4.528 15.890 ( 3.539 -6.275 -0.546) 7.225 16.113 ( -0.877 -0.029 -4.357) 4.445 16.139 ( 0.934 -2.201 -6.218) 6.662 16.581 ( 0.020 5.291 3.705) 6.460 16.683 ( 0.969 -4.360 4.171) 6.112 18.451 ( -4.781 1.936 2.082) 5.563 18.511 ( -5.340 -3.685 3.852) 7.545 18.777 ( -5.311 2.250 0.282) 5.775 18.826 ( -5.807 -2.374 0.109) 6.274 27.920 ( 0.233 1.651 1.370) 2.158 27.967 ( 0.776 -2.644 1.526) 3.150 28.110 ( -0.289 2.016 0.075) 2.038 28.164 ( -0.017 -2.761 0.843) 2.887 29.245 ( -1.071 1.415 4.825) 5.141 29.268 ( -1.283 -0.699 3.899) 4.164 29.602 ( 2.925 4.134 7.670) 9.191 29.682 ( 3.193 -3.505 7.094) 8.533 30.120 ( 1.441 6.688 -0.107) 6.842 30.213 ( 3.464 -2.096 0.335) 4.063 30.932 ( 2.862 3.372 -6.619) 7.961 30.977 ( 2.986 -1.340 -4.461) 5.533 31.508 ( -1.584 11.851 -1.205) 12.017 31.817 ( -4.567 -15.398 -6.641) 17.380 33.052 ( -5.977 18.933 -0.834) 19.871 33.461 ( -4.645 -19.690 -5.516) 20.969 ======================= Grid point 114 (62/168) ======================= q-point: (-0.30 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -10.070 14.421 -1.940) 17.696 2.438 ( -10.056 -10.133 3.446) 14.686 2.586 ( -14.013 8.120 -4.326) 16.764 2.710 ( -9.359 -3.123 -1.482) 9.976 3.275 ( -3.264 7.597 -0.678) 8.296 3.443 ( -2.333 -5.973 -4.915) 8.079 3.589 ( -2.353 3.368 3.909) 5.671 3.678 ( 0.592 -5.176 -0.228) 5.215 3.981 ( -4.139 13.430 -6.666) 15.554 4.141 ( -14.069 2.102 -6.530) 15.652 4.268 ( -8.274 4.251 -4.029) 10.137 4.338 ( -2.168 -0.756 -4.329) 4.900 4.415 ( -12.149 -1.146 2.616) 12.480 4.540 ( -5.745 -9.502 6.576) 12.905 5.143 ( -3.055 6.290 -2.805) 7.535 5.262 ( -3.019 -1.025 -0.774) 3.281 5.402 ( -5.163 -0.123 6.332) 8.171 5.532 ( -1.828 -7.919 6.204) 10.225 5.745 ( -11.203 -0.837 -3.763) 11.848 5.797 ( -9.011 -5.347 -5.241) 11.715 6.147 ( -6.740 3.097 -2.023) 7.688 6.214 ( -4.091 -2.586 -1.144) 4.974 6.818 ( -0.764 8.635 -0.288) 8.673 6.956 ( 2.172 -1.111 7.215) 7.616 7.060 ( 7.962 -0.040 2.355) 8.303 7.123 ( 8.782 -2.550 3.789) 9.898 7.434 ( -5.070 4.855 -2.166) 7.347 7.586 ( -2.028 -7.877 1.664) 8.303 7.800 ( -4.760 11.182 -6.038) 13.570 7.959 ( 4.260 -1.235 -7.834) 9.003 8.117 ( 0.897 3.470 -5.867) 6.876 8.257 ( 1.278 -7.182 -5.422) 9.089 8.836 ( 2.138 -1.981 5.206) 5.966 8.872 ( -0.849 -4.420 8.726) 9.819 9.164 ( -1.238 8.165 -4.743) 9.524 9.306 ( -3.071 -5.056 -6.603) 8.865 11.227 ( 0.911 0.581 -5.930) 6.028 11.270 ( 2.825 -3.525 -4.502) 6.378 11.824 ( 2.482 4.884 1.397) 5.654 11.912 ( 4.192 -3.409 0.069) 5.404 13.738 ( 6.623 4.372 5.459) 9.633 13.848 ( 9.977 -5.757 6.245) 13.103 14.297 ( 8.395 6.278 0.219) 10.485 14.426 ( 9.147 -5.944 0.180) 10.910 15.617 ( -0.134 8.318 1.753) 8.502 15.757 ( -0.191 -2.042 4.499) 4.944 15.834 ( 4.232 4.662 1.617) 6.501 15.972 ( 3.220 -5.367 4.812) 7.895 16.051 ( -0.443 -0.470 -4.732) 4.776 16.082 ( 2.437 -3.310 -7.825) 8.839 16.633 ( 0.708 5.887 3.979) 7.141 16.748 ( 1.598 -4.982 3.306) 6.189 18.367 ( -9.278 2.017 2.900) 9.928 18.433 ( -10.456 -4.230 4.465) 12.131 18.657 ( -9.463 1.764 -0.528) 9.641 18.701 ( -9.861 -2.245 0.107) 10.114 27.944 ( 0.587 2.315 1.667) 2.913 27.996 ( 0.611 -2.425 1.375) 2.854 28.105 ( -0.533 2.126 0.063) 2.192 28.170 ( 0.158 -3.715 0.243) 3.726 29.275 ( -1.448 1.302 3.556) 4.055 29.295 ( -1.512 -0.683 4.499) 4.795 29.785 ( 5.163 3.962 13.050) 14.582 29.850 ( 5.063 -1.994 10.996) 12.269 30.172 ( 6.857 8.684 -1.930) 11.232 30.302 ( 8.162 -3.278 -0.779) 8.830 30.856 ( 0.761 7.444 -11.040) 13.336 30.977 ( 3.280 -5.054 -6.442) 8.821 31.484 ( -0.005 6.158 -0.156) 6.160 31.659 ( -5.053 -8.851 -6.197) 11.928 32.898 ( -12.354 15.192 -0.492) 19.588 33.263 ( -11.906 -19.317 -6.503) 23.605 ======================= Grid point 115 (63/168) ======================= q-point: (-0.20 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -11.996 18.856 0.972) 22.370 2.257 ( -16.531 15.467 -3.376) 22.889 2.355 ( -10.956 -14.781 4.237) 18.880 2.535 ( -8.858 -10.831 -2.449) 14.205 3.163 ( -9.518 5.428 -2.194) 11.174 3.290 ( -10.159 -5.643 -5.397) 12.813 3.586 ( -5.670 8.879 5.239) 11.765 3.640 ( -6.013 1.374 -0.108) 6.169 3.783 ( -7.719 10.511 -7.986) 15.292 3.829 ( -8.029 2.483 -5.994) 10.323 4.021 ( -8.577 4.867 -5.701) 11.391 4.229 ( -12.917 -6.551 2.401) 14.680 4.372 ( 1.797 0.656 -0.069) 1.914 4.488 ( -4.555 -8.962 1.018) 10.104 5.108 ( -0.225 5.303 -0.557) 5.337 5.200 ( -2.257 -3.085 -2.145) 4.383 5.421 ( -3.226 5.129 7.748) 9.836 5.536 ( -6.121 1.436 0.283) 6.293 5.601 ( -5.087 -9.805 5.022) 12.134 5.659 ( -4.640 -8.204 0.999) 9.478 6.044 ( -4.257 5.603 -0.420) 7.049 6.157 ( -1.744 -4.408 0.129) 4.743 6.821 ( 1.102 7.855 -0.195) 7.935 6.964 ( -2.255 -5.531 0.811) 6.028 7.163 ( -0.376 3.734 0.268) 3.762 7.262 ( 0.452 -5.257 1.774) 5.566 7.364 ( 2.865 12.272 -2.182) 12.790 7.620 ( 4.170 -10.428 -1.082) 11.283 7.660 ( -4.766 13.496 -3.059) 14.636 7.941 ( 0.574 -11.309 -5.070) 12.407 8.133 ( 7.021 5.851 -0.178) 9.141 8.260 ( 4.859 -5.948 -1.660) 7.858 8.842 ( -5.177 1.877 -1.193) 5.634 8.927 ( -5.528 -5.135 6.144) 9.730 9.137 ( 1.443 2.920 0.768) 3.347 9.196 ( -0.649 -2.306 -4.911) 5.464 11.190 ( 1.790 2.153 -4.063) 4.934 11.274 ( 2.764 -5.666 -2.530) 6.793 11.859 ( 1.531 6.194 -0.769) 6.427 11.966 ( 2.995 -3.907 -0.856) 4.997 13.910 ( 7.762 7.414 3.693) 11.351 14.073 ( 9.905 -7.898 4.351) 13.394 14.431 ( 8.046 7.452 -0.336) 10.972 14.581 ( 9.601 -6.805 -0.043) 11.768 15.621 ( 0.390 8.122 -1.078) 8.202 15.768 ( 0.579 -5.365 -2.307) 5.868 15.967 ( 1.605 2.611 1.291) 3.326 15.988 ( -2.368 -2.304 -2.076) 3.902 16.005 ( 6.594 4.829 -1.097) 8.247 16.142 ( 9.244 -5.764 1.048) 10.944 16.687 ( -0.058 5.463 4.252) 6.923 16.802 ( 0.713 -5.211 2.422) 5.791 18.230 ( -12.348 1.396 3.371) 12.875 18.286 ( -14.274 -4.024 4.086) 15.383 18.479 ( -11.153 2.189 -0.926) 11.403 18.528 ( -11.192 -2.345 -0.407) 11.442 27.974 ( 0.747 2.152 1.550) 2.755 28.013 ( 0.129 -1.328 0.463) 1.412 28.095 ( -0.605 2.277 -0.190) 2.363 28.176 ( 0.544 -4.808 -0.205) 4.843 29.282 ( -1.545 1.757 1.878) 3.000 29.314 ( -2.265 -1.374 3.830) 4.657 30.011 ( 3.426 4.376 10.717) 12.072 30.084 ( 3.450 -2.246 13.204) 13.831 30.326 ( 17.696 10.189 -1.716) 20.491 30.462 ( 12.930 -2.717 0.540) 13.223 30.726 ( -0.212 8.988 -9.959) 13.417 30.918 ( 0.488 -9.502 -7.656) 12.212 31.501 ( 2.108 1.490 -0.582) 2.647 31.540 ( -1.448 -1.428 -4.935) 5.338 32.661 ( -17.038 9.987 0.477) 19.755 32.935 ( -19.621 -16.224 -6.653) 26.314 ======================= Grid point 116 (64/168) ======================= q-point: (-0.10 0.43 0.12) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -15.890 21.173 2.270) 26.570 2.047 ( -5.335 18.909 0.525) 19.654 2.198 ( -12.870 -14.701 2.190) 19.661 2.453 ( -1.031 -15.521 2.298) 15.724 2.953 ( -10.935 4.904 -2.308) 12.205 3.060 ( -9.271 -5.250 -2.666) 10.983 3.501 ( -8.964 18.833 2.746) 21.037 3.541 ( -5.215 9.717 0.615) 11.045 3.660 ( -0.495 -0.499 -3.504) 3.574 3.754 ( 2.178 3.186 -3.678) 5.331 3.905 ( -2.537 -0.246 0.350) 2.573 4.092 ( -7.494 -7.095 3.898) 11.031 4.400 ( 2.127 -1.026 -0.217) 2.371 4.456 ( -1.074 -6.097 1.465) 6.362 5.090 ( -0.268 3.110 -2.274) 3.862 5.141 ( -1.397 -2.721 -2.480) 3.938 5.428 ( -4.348 3.631 1.376) 5.829 5.486 ( -4.905 6.344 10.837) 13.481 5.576 ( -1.506 -8.625 0.563) 8.774 5.667 ( -3.621 -9.365 8.003) 12.840 6.005 ( -1.906 6.665 1.619) 7.119 6.159 ( -0.364 -7.284 1.784) 7.508 6.856 ( 2.181 6.550 1.608) 7.088 6.957 ( 0.728 -2.694 1.523) 3.180 7.125 ( -2.429 1.950 -1.402) 3.415 7.200 ( -3.572 -4.923 -0.524) 6.105 7.405 ( 2.090 12.019 -3.709) 12.751 7.601 ( -0.468 -4.489 -8.166) 9.331 7.645 ( 3.566 10.729 3.153) 11.738 7.934 ( 3.354 -14.089 -1.410) 14.552 8.242 ( 4.990 2.695 -0.969) 5.753 8.319 ( 2.293 -4.340 -0.606) 4.946 8.713 ( -5.239 4.999 -2.768) 7.752 8.833 ( -7.447 -5.820 -0.728) 9.480 9.181 ( 0.141 0.038 0.171) 0.225 9.185 ( 1.274 -0.681 1.845) 2.343 11.194 ( 2.248 3.283 -0.847) 4.068 11.301 ( 2.159 -6.712 0.401) 7.062 11.860 ( 1.124 7.206 -2.363) 7.667 11.986 ( 1.890 -4.731 -2.225) 5.559 14.046 ( 4.637 8.806 1.880) 10.128 14.234 ( 5.199 -8.925 1.867) 10.496 14.530 ( 5.284 8.645 -1.353) 10.222 14.703 ( 6.105 -7.696 -1.486) 9.935 15.613 ( 1.057 7.706 -1.965) 8.022 15.736 ( 1.862 -2.980 -6.596) 7.473 15.904 ( -0.410 -1.703 -6.244) 6.485 15.918 ( -0.710 -3.704 -4.257) 5.687 16.224 ( 9.739 5.159 6.906) 13.006 16.310 ( 8.610 -2.827 2.455) 9.389 16.718 ( -2.575 4.133 4.110) 6.372 16.816 ( -1.947 -4.981 1.359) 5.518 18.060 ( -13.860 0.977 3.450) 14.316 18.098 ( -12.545 -2.308 2.626) 13.024 18.320 ( -6.828 2.540 -0.436) 7.298 18.371 ( -6.563 -2.236 -0.961) 7.000 27.995 ( -0.021 0.886 0.360) 0.956 28.011 ( -0.103 -0.082 -0.594) 0.608 28.084 ( -0.226 3.020 -0.357) 3.050 28.182 ( 0.554 -5.495 -0.468) 5.543 29.271 ( -1.411 2.023 0.390) 2.497 29.311 ( -2.575 -1.804 2.402) 3.957 30.088 ( 0.831 4.493 -4.659) 6.526 30.127 ( -2.801 0.863 -5.871) 6.562 30.576 ( 7.026 8.460 -1.077) 11.050 30.716 ( 8.796 8.748 8.217) 14.880 30.763 ( 10.522 -8.076 4.122) 13.890 30.913 ( 6.321 -9.273 5.339) 12.428 31.503 ( 5.618 2.484 -3.729) 7.186 31.539 ( 4.706 -1.424 -2.827) 5.672 32.388 ( -17.775 5.490 0.416) 18.608 32.541 ( -19.666 -9.062 -2.685) 21.819 ======================= Grid point 147 (65/168) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 9.297 0.000 15.900) 18.419 1.190 ( -6.425 0.000 28.238) 28.960 1.903 ( -10.048 0.000 -19.229) 21.696 2.198 ( -16.451 0.000 46.510) 49.334 2.635 ( 2.980 0.000 2.068) 3.627 3.088 ( 12.765 0.000 -5.035) 13.723 3.104 ( -0.508 0.000 5.615) 5.638 3.288 ( -3.723 0.000 -0.611) 3.773 3.357 ( 1.880 0.000 -7.474) 7.706 3.805 ( 6.336 0.000 3.193) 7.095 4.022 ( -3.691 0.000 -2.066) 4.230 4.307 ( 7.256 0.000 -0.235) 7.260 4.558 ( 1.148 0.000 3.986) 4.148 5.042 ( 8.540 0.000 -0.904) 8.587 5.134 ( 3.223 0.000 2.689) 4.197 5.318 ( 3.242 0.000 -4.075) 5.207 5.489 ( -3.723 0.000 8.370) 9.161 5.510 ( -0.092 0.000 12.513) 12.513 5.895 ( 8.322 0.000 9.448) 12.591 5.985 ( -13.235 0.000 4.653) 14.030 6.055 ( 9.994 0.000 0.113) 9.995 6.259 ( -0.315 0.000 -8.311) 8.317 6.610 ( 1.537 0.000 1.610) 2.226 6.875 ( -3.724 0.000 -2.461) 4.464 7.190 ( -20.393 0.000 0.387) 20.397 7.205 ( 8.871 0.000 -1.094) 8.938 7.348 ( -6.400 0.000 8.158) 10.369 7.375 ( 1.867 0.000 -0.860) 2.056 7.711 ( 15.250 0.000 -14.042) 20.730 7.749 ( -8.180 0.000 -9.737) 12.717 8.084 ( -0.897 0.000 3.962) 4.062 8.279 ( -3.184 0.000 7.839) 8.461 8.650 ( 6.054 0.000 -2.032) 6.386 8.913 ( 14.076 0.000 -2.976) 14.387 9.044 ( -17.312 0.000 1.823) 17.408 9.502 ( -6.324 0.000 -8.015) 10.209 11.150 ( 4.432 0.000 -5.542) 7.097 11.322 ( 1.932 0.000 -5.497) 5.826 11.822 ( -0.021 0.000 6.410) 6.410 12.116 ( 0.221 0.000 0.665) 0.701 13.795 ( -2.115 0.000 2.137) 3.006 14.060 ( 1.964 0.000 -3.368) 3.899 14.609 ( -5.199 0.000 0.878) 5.273 14.881 ( 4.076 0.000 -5.974) 7.233 15.292 ( -4.471 0.000 -1.390) 4.682 15.324 ( 3.699 0.000 -0.387) 3.719 15.901 ( 0.730 0.000 -5.641) 5.688 15.922 ( 2.257 0.000 -10.890) 11.121 16.375 ( 0.629 0.000 7.337) 7.364 16.713 ( -9.372 0.000 -0.794) 9.405 16.867 ( -1.107 0.000 -3.941) 4.094 16.955 ( 12.411 0.000 -2.466) 12.654 17.860 ( -6.318 0.000 4.099) 7.531 18.146 ( -0.390 0.000 -0.853) 0.937 18.213 ( -7.898 0.000 5.494) 9.621 18.416 ( 5.165 0.000 -0.064) 5.165 27.888 ( 1.313 0.000 1.100) 1.713 27.914 ( 0.453 0.000 -0.709) 0.841 28.049 ( -0.379 0.000 -1.996) 2.031 28.293 ( -2.366 0.000 -5.764) 6.231 29.016 ( 1.246 0.000 0.668) 1.414 29.110 ( -0.106 0.000 -2.623) 2.625 29.396 ( -3.733 0.000 3.749) 5.291 29.914 ( 0.684 0.000 -9.040) 9.066 30.222 ( 1.522 0.000 8.892) 9.021 30.548 ( -0.596 0.000 4.265) 4.306 31.213 ( -9.012 0.000 1.221) 9.094 31.399 ( -32.007 0.000 3.319) 32.179 31.429 ( -3.732 0.000 1.010) 3.866 31.586 ( 15.560 0.000 -7.227) 17.157 32.453 ( -15.770 0.000 10.148) 18.753 33.046 ( 44.410 0.000 -3.277) 44.531 ======================= Grid point 148 (66/168) ======================= q-point: ( 0.10 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.497 0.000 24.257) 24.671 1.529 ( 35.147 0.000 6.793) 35.798 1.690 ( 9.318 0.000 -14.468) 17.209 2.458 ( -6.860 0.000 29.821) 30.600 2.703 ( 2.040 0.000 0.714) 2.161 3.164 ( 2.531 0.000 0.342) 2.554 3.207 ( 6.215 0.000 -5.786) 8.491 3.365 ( 6.561 0.000 -3.213) 7.306 3.414 ( 14.503 0.000 8.260) 16.690 3.883 ( -4.538 0.000 -8.051) 9.242 3.978 ( 10.478 0.000 3.749) 11.129 4.413 ( 3.019 0.000 1.928) 3.582 4.637 ( 5.617 0.000 -0.547) 5.643 5.154 ( 6.081 0.000 -4.158) 7.367 5.215 ( 1.616 0.000 3.837) 4.163 5.308 ( 0.873 0.000 1.322) 1.584 5.513 ( -7.361 0.000 10.176) 12.559 5.677 ( 1.451 0.000 13.134) 13.214 5.803 ( -10.268 0.000 -2.731) 10.625 6.143 ( 4.549 0.000 -0.966) 4.651 6.156 ( -1.812 0.000 -5.035) 5.352 6.201 ( 12.771 0.000 12.703) 18.013 6.661 ( 4.338 0.000 -1.656) 4.643 6.799 ( -1.438 0.000 -3.503) 3.786 6.941 ( -8.083 0.000 1.882) 8.299 7.296 ( -6.011 0.000 -3.019) 6.726 7.353 ( 2.960 0.000 -2.723) 4.022 7.372 ( -4.262 0.000 4.181) 5.971 7.500 ( -4.472 0.000 -8.122) 9.272 7.781 ( 11.934 0.000 -12.555) 17.322 8.135 ( 2.004 0.000 3.374) 3.925 8.380 ( 3.224 0.000 11.891) 12.320 8.639 ( -5.183 0.000 -5.952) 7.893 8.848 ( -6.674 0.000 3.968) 7.764 9.122 ( 12.692 0.000 -3.279) 13.109 9.367 ( 2.246 0.000 -6.851) 7.210 11.158 ( 3.409 0.000 -4.310) 5.495 11.278 ( 1.128 0.000 -6.419) 6.517 11.890 ( -0.735 0.000 6.170) 6.213 12.121 ( -0.025 0.000 0.220) 0.221 13.753 ( -5.728 0.000 2.593) 6.288 14.037 ( -0.531 0.000 -3.859) 3.896 14.483 ( -11.547 0.000 0.813) 11.576 14.829 ( -2.648 0.000 -4.406) 5.140 15.203 ( -3.967 0.000 -1.000) 4.091 15.378 ( 3.234 0.000 -1.012) 3.389 15.843 ( 0.361 0.000 -5.289) 5.302 15.849 ( 2.508 0.000 -7.935) 8.322 16.473 ( 0.806 0.000 7.870) 7.911 16.501 ( -13.783 0.000 0.180) 13.784 16.783 ( -3.405 0.000 -4.340) 5.516 16.931 ( -7.893 0.000 0.217) 7.896 18.046 ( 17.598 0.000 -0.350) 17.601 18.175 ( 5.187 0.000 -1.039) 5.290 18.225 ( 1.432 0.000 4.118) 4.360 18.547 ( 10.259 0.000 0.558) 10.274 27.922 ( 1.417 0.000 -0.684) 1.574 27.933 ( 2.427 0.000 1.202) 2.708 28.038 ( 1.120 0.000 -0.711) 1.327 28.186 ( -2.170 0.000 -6.174) 6.544 29.059 ( 2.865 0.000 0.878) 2.997 29.081 ( 0.321 0.000 -2.872) 2.890 29.389 ( -3.303 0.000 4.740) 5.778 29.825 ( 0.271 0.000 -7.448) 7.453 30.306 ( -5.620 0.000 9.772) 11.273 30.540 ( -3.756 0.000 0.752) 3.830 30.767 ( -29.113 0.000 8.483) 30.324 31.310 ( -8.286 0.000 -2.338) 8.610 31.469 ( 9.843 0.000 4.124) 10.672 31.788 ( 10.950 0.000 -0.298) 10.954 32.353 ( -6.457 0.000 5.972) 8.795 33.561 ( 32.160 0.000 -12.341) 34.446 ======================= Grid point 149 (67/168) ======================= q-point: ( 0.20 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 8.992 0.000 14.055) 16.685 1.912 ( 24.243 0.000 3.444) 24.486 2.139 ( 28.769 0.000 6.601) 29.516 2.629 ( 1.268 0.000 6.729) 6.847 2.742 ( 2.428 0.000 1.261) 2.736 3.108 ( -1.289 0.000 -13.064) 13.127 3.299 ( 9.214 0.000 2.547) 9.560 3.485 ( 6.381 0.000 4.415) 7.760 3.696 ( 8.856 0.000 5.865) 10.622 3.763 ( 0.245 0.000 -5.752) 5.757 4.216 ( 15.576 0.000 0.582) 15.587 4.418 ( -5.055 0.000 2.592) 5.680 4.707 ( 10.186 0.000 -9.967) 14.252 5.097 ( -2.061 0.000 -7.107) 7.400 5.251 ( -3.878 0.000 4.743) 6.127 5.394 ( 2.603 0.000 2.735) 3.776 5.508 ( -6.106 0.000 9.627) 11.401 5.637 ( -1.415 0.000 -7.781) 7.909 5.808 ( -1.387 0.000 7.337) 7.467 6.103 ( 0.461 0.000 -3.324) 3.356 6.211 ( 6.054 0.000 -1.690) 6.285 6.563 ( 14.620 0.000 11.888) 18.844 6.697 ( 4.514 0.000 -4.685) 6.506 6.761 ( 0.276 0.000 0.262) 0.380 6.949 ( 4.722 0.000 1.911) 5.094 7.058 ( -11.993 0.000 -6.166) 13.485 7.204 ( -7.120 0.000 -4.944) 8.668 7.327 ( -4.637 0.000 1.382) 4.838 7.581 ( 7.841 0.000 2.610) 8.264 7.800 ( 4.914 0.000 -6.772) 8.367 8.212 ( 2.583 0.000 2.582) 3.652 8.426 ( -11.327 0.000 -2.432) 11.585 8.624 ( 9.487 0.000 6.185) 11.325 8.887 ( 0.754 0.000 9.195) 9.225 9.137 ( 2.472 0.000 -10.098) 10.396 9.467 ( 9.957 0.000 1.163) 10.025 11.159 ( 2.169 0.000 -2.775) 3.522 11.215 ( 0.949 0.000 -7.071) 7.135 11.929 ( -2.554 0.000 4.667) 5.321 12.119 ( 0.230 0.000 -1.207) 1.229 13.694 ( -5.810 0.000 3.585) 6.827 13.934 ( -5.734 0.000 -5.107) 7.678 14.279 ( -15.251 0.000 1.747) 15.351 14.714 ( -6.667 0.000 -2.372) 7.076 15.175 ( 0.991 0.000 0.838) 1.298 15.386 ( 0.022 0.000 -2.240) 2.240 15.807 ( 1.911 0.000 -3.530) 4.014 15.827 ( 3.277 0.000 -3.855) 5.060 16.326 ( -9.494 0.000 1.818) 9.666 16.565 ( -0.487 0.000 4.811) 4.836 16.678 ( -3.177 0.000 -2.110) 3.813 16.789 ( -10.237 0.000 0.978) 10.284 18.273 ( 7.791 0.000 -0.317) 7.797 18.292 ( 14.983 0.000 -2.429) 15.178 18.330 ( 6.248 0.000 2.791) 6.843 18.726 ( 10.936 0.000 0.319) 10.940 27.942 ( 1.744 0.000 -0.372) 1.783 27.980 ( 2.871 0.000 -0.777) 2.974 28.075 ( 1.959 0.000 2.888) 3.489 28.094 ( -1.215 0.000 -4.522) 4.683 29.058 ( 0.705 0.000 -2.312) 2.417 29.121 ( 3.782 0.000 0.566) 3.824 29.396 ( -3.501 0.000 5.482) 6.505 29.758 ( 0.763 0.000 -5.372) 5.426 30.235 ( -18.516 0.000 13.021) 22.637 30.456 ( -5.678 0.000 -1.985) 6.015 30.578 ( -6.090 0.000 3.685) 7.118 31.141 ( -8.341 0.000 -3.159) 8.919 31.672 ( 9.929 0.000 2.691) 10.287 31.823 ( -6.808 0.000 1.283) 6.928 32.460 ( 11.587 0.000 4.228) 12.334 33.826 ( 21.344 0.000 -13.382) 25.192 ======================= Grid point 150 (68/168) ======================= q-point: ( 0.30 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 9.475 0.000 16.010) 18.603 2.346 ( 21.303 0.000 5.643) 22.037 2.463 ( 1.106 0.000 5.392) 5.504 2.682 ( 5.084 0.000 -5.059) 7.172 2.856 ( 11.732 0.000 1.117) 11.785 2.898 ( -0.913 0.000 -15.103) 15.130 3.536 ( 13.159 0.000 4.583) 13.934 3.607 ( 3.063 0.000 2.570) 3.998 3.730 ( 0.657 0.000 -2.996) 3.067 3.844 ( 2.451 0.000 6.302) 6.762 4.339 ( -6.601 0.000 0.195) 6.604 4.440 ( 13.733 0.000 -3.771) 14.241 4.736 ( 9.540 0.000 -10.483) 14.174 4.987 ( -1.406 0.000 -5.881) 6.046 5.218 ( -4.611 0.000 3.856) 6.011 5.390 ( 0.559 0.000 -5.630) 5.658 5.554 ( -4.119 0.000 10.490) 11.270 5.574 ( 4.867 0.000 -9.784) 10.928 5.831 ( -2.273 0.000 4.464) 5.009 6.061 ( 2.347 0.000 -7.112) 7.489 6.302 ( 8.185 0.000 -1.970) 8.419 6.677 ( 3.596 0.000 -9.958) 10.588 6.825 ( -4.703 0.000 3.060) 5.611 6.867 ( 2.346 0.000 -0.387) 2.378 6.923 ( 12.410 0.000 11.437) 16.876 7.067 ( 6.030 0.000 0.087) 6.031 7.110 ( -3.490 0.000 3.038) 4.628 7.280 ( -2.598 0.000 1.946) 3.246 7.702 ( 2.726 0.000 2.917) 3.993 7.788 ( 1.231 0.000 -3.669) 3.870 8.257 ( -7.813 0.000 0.211) 7.816 8.262 ( 0.500 0.000 2.269) 2.323 8.697 ( 2.197 0.000 -8.152) 8.443 9.044 ( 2.472 0.000 -12.299) 12.545 9.106 ( 2.541 0.000 19.450) 19.616 9.605 ( 3.950 0.000 2.049) 4.450 11.154 ( 2.164 0.000 -7.354) 7.666 11.178 ( 2.584 0.000 0.329) 2.605 11.909 ( -5.090 0.000 2.501) 5.671 12.092 ( -0.088 0.000 -4.078) 4.079 13.661 ( -4.487 0.000 5.221) 6.884 13.780 ( -5.468 0.000 -3.946) 6.743 14.069 ( -14.345 0.000 3.529) 14.773 14.578 ( -7.013 0.000 -1.665) 7.208 15.236 ( 3.395 0.000 2.095) 3.989 15.340 ( -1.901 0.000 -2.166) 2.882 15.831 ( 4.170 0.000 -0.612) 4.215 15.856 ( 3.845 0.000 -1.507) 4.130 16.243 ( -4.528 0.000 2.855) 5.353 16.490 ( -4.058 0.000 -6.473) 7.640 16.639 ( -9.890 0.000 0.815) 9.924 16.711 ( -0.239 0.000 7.261) 7.265 18.401 ( 7.070 0.000 1.535) 7.234 18.453 ( 8.048 0.000 -0.450) 8.061 18.482 ( 9.330 0.000 1.205) 9.408 18.881 ( 8.184 0.000 -0.403) 8.194 27.952 ( 0.886 0.000 -2.106) 2.285 28.008 ( 2.493 0.000 -1.526) 2.924 28.065 ( 1.146 0.000 0.342) 1.196 28.152 ( 1.569 0.000 4.906) 5.151 29.056 ( 1.676 0.000 -0.977) 1.940 29.186 ( 3.744 0.000 -0.045) 3.744 29.400 ( -4.266 0.000 5.843) 7.234 29.730 ( 1.926 0.000 -2.983) 3.551 30.099 ( -16.428 0.000 12.971) 20.932 30.324 ( -6.010 0.000 -4.390) 7.443 30.556 ( -1.703 0.000 0.926) 1.938 31.001 ( -5.502 0.000 -1.006) 5.593 31.682 ( -8.020 0.000 -3.029) 8.573 31.822 ( 6.843 0.000 -0.290) 6.849 32.719 ( 11.151 0.000 6.451) 12.883 33.959 ( 15.364 0.000 -13.161) 20.231 ======================= Grid point 151 (69/168) ======================= q-point: ( 0.40 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.346 0.000 7.704) 8.845 2.384 ( -12.265 0.000 0.362) 12.271 2.607 ( 3.668 0.000 5.867) 6.919 2.710 ( 10.062 0.000 -9.983) 14.175 2.900 ( 18.902 0.000 -5.993) 19.830 3.047 ( 3.358 0.000 8.024) 8.699 3.652 ( -2.157 0.000 4.019) 4.561 3.709 ( 2.864 0.000 -3.759) 4.726 3.733 ( 6.855 0.000 0.402) 6.866 3.936 ( 0.017 0.000 4.527) 4.527 4.226 ( -4.976 0.000 -1.890) 5.323 4.557 ( 8.523 0.000 -5.311) 10.043 4.794 ( 7.526 0.000 -3.283) 8.211 4.912 ( -0.348 0.000 -6.354) 6.363 5.230 ( 1.401 0.000 1.865) 2.333 5.326 ( 1.456 0.000 -7.308) 7.452 5.549 ( 4.547 0.000 -7.008) 8.354 5.608 ( -3.484 0.000 9.811) 10.411 5.883 ( 2.662 0.000 4.677) 5.381 6.039 ( 5.060 0.000 -6.894) 8.552 6.414 ( 7.501 0.000 -0.917) 7.557 6.566 ( -0.631 0.000 -13.525) 13.540 6.742 ( -1.146 0.000 -1.896) 2.216 6.997 ( -1.273 0.000 10.571) 10.648 7.047 ( -5.616 0.000 0.051) 5.617 7.155 ( 2.346 0.000 7.023) 7.405 7.200 ( 6.831 0.000 4.684) 8.282 7.319 ( 3.913 0.000 1.465) 4.178 7.730 ( -1.398 0.000 0.838) 1.630 7.766 ( 0.771 0.000 -1.433) 1.627 8.187 ( -4.728 0.000 3.814) 6.074 8.310 ( 3.120 0.000 2.676) 4.110 8.562 ( -3.223 0.000 -12.445) 12.855 8.935 ( 2.984 0.000 -14.082) 14.395 9.307 ( -3.022 0.000 14.488) 14.800 9.622 ( -2.464 0.000 -1.158) 2.723 11.118 ( 3.859 0.000 -7.057) 8.043 11.254 ( 3.686 0.000 3.699) 5.222 11.846 ( -4.985 0.000 1.541) 5.218 12.019 ( -0.606 0.000 -7.421) 7.446 13.683 ( -1.456 0.000 7.268) 7.412 13.708 ( 0.180 0.000 -0.632) 0.657 13.923 ( -10.205 0.000 4.962) 11.347 14.471 ( -3.598 0.000 -1.733) 3.994 15.294 ( -1.334 0.000 -0.857) 1.585 15.300 ( 1.469 0.000 1.662) 2.218 15.898 ( 3.415 0.000 -1.759) 3.841 15.914 ( 4.739 0.000 1.975) 5.134 16.238 ( -0.804 0.000 2.935) 3.043 16.346 ( -3.328 0.000 -7.790) 8.471 16.505 ( -8.710 0.000 2.230) 8.991 16.781 ( -0.697 0.000 5.923) 5.964 18.517 ( 3.545 0.000 3.495) 4.978 18.549 ( 3.871 0.000 0.524) 3.906 18.638 ( 7.858 0.000 2.251) 8.174 18.965 ( 3.628 0.000 -1.491) 3.922 27.937 ( 0.774 0.000 -1.876) 2.030 28.021 ( 1.159 0.000 -1.409) 1.824 28.121 ( 2.598 0.000 3.178) 4.105 28.224 ( 0.100 0.000 4.905) 4.906 29.092 ( 3.034 0.000 0.754) 3.126 29.231 ( 2.193 0.000 -0.549) 2.261 29.394 ( -4.908 0.000 5.822) 7.615 29.754 ( 3.641 0.000 -0.400) 3.663 30.021 ( -12.043 0.000 12.554) 17.396 30.182 ( -3.614 0.000 -6.178) 7.157 30.525 ( -2.473 0.000 -0.866) 2.620 30.962 ( -0.673 0.000 2.999) 3.073 31.527 ( -3.908 0.000 -6.886) 7.917 31.871 ( 2.130 0.000 -3.760) 4.321 32.920 ( 3.395 0.000 7.641) 8.361 34.025 ( 12.337 0.000 -12.966) 17.897 ======================= Grid point 152 (70/168) ======================= q-point: (-0.50 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -18.758 0.000 0.934) 18.781 2.206 ( -18.167 0.000 0.750) 18.182 2.729 ( 1.306 0.000 8.144) 8.248 2.777 ( 11.909 0.000 -8.644) 14.715 3.128 ( -5.147 0.000 8.366) 9.823 3.162 ( 16.748 0.000 -3.138) 17.039 3.647 ( -0.416 0.000 -0.190) 0.457 3.733 ( 0.144 0.000 2.378) 2.382 3.769 ( -1.306 0.000 -2.310) 2.653 3.914 ( -5.545 0.000 0.450) 5.563 4.195 ( 1.167 0.000 2.917) 3.142 4.567 ( 1.289 0.000 -9.076) 9.167 4.814 ( -2.093 0.000 -7.595) 7.878 4.864 ( 4.929 0.000 -4.095) 6.408 5.262 ( -2.032 0.000 -3.398) 3.960 5.267 ( 0.510 0.000 0.781) 0.933 5.553 ( 1.995 0.000 -2.599) 3.276 5.672 ( -2.311 0.000 8.959) 9.252 6.027 ( 7.294 0.000 6.554) 9.806 6.053 ( 3.808 0.000 -3.208) 4.979 6.353 ( -6.586 0.000 -12.359) 14.004 6.486 ( 3.106 0.000 -3.867) 4.960 6.750 ( 1.933 0.000 2.289) 2.996 6.920 ( -7.384 0.000 -2.001) 7.650 7.049 ( -5.181 0.000 8.953) 10.345 7.255 ( -4.139 0.000 4.485) 6.103 7.337 ( 7.482 0.000 9.739) 12.282 7.385 ( 1.063 0.000 0.827) 1.347 7.702 ( -2.446 0.000 0.284) 2.462 7.814 ( 6.218 0.000 -0.112) 6.219 8.145 ( -5.229 0.000 -0.012) 5.229 8.354 ( -4.843 0.000 -9.320) 10.503 8.437 ( 10.477 0.000 0.741) 10.503 8.820 ( 3.689 0.000 -14.949) 15.398 9.346 ( -6.987 0.000 7.550) 10.287 9.523 ( -5.192 0.000 -4.014) 6.563 11.121 ( 5.568 0.000 -5.027) 7.502 11.352 ( 2.524 0.000 2.972) 3.899 11.800 ( -2.986 0.000 1.332) 3.269 11.925 ( 0.872 0.000 -7.675) 7.725 13.767 ( 5.822 0.000 1.909) 6.127 13.791 ( 3.588 0.000 8.534) 9.257 13.850 ( -6.397 0.000 4.495) 7.819 14.433 ( 1.785 0.000 -2.243) 2.866 15.281 ( -0.406 0.000 0.790) 0.888 15.319 ( -1.030 0.000 1.299) 1.658 15.912 ( 2.497 0.000 -4.435) 5.089 16.006 ( 3.098 0.000 2.636) 4.068 16.215 ( -1.999 0.000 -7.368) 7.634 16.264 ( 0.670 0.000 0.715) 0.980 16.439 ( -5.765 0.000 7.390) 9.373 16.826 ( -0.104 0.000 3.353) 3.355 18.578 ( -1.582 0.000 3.952) 4.257 18.587 ( -0.847 0.000 2.008) 2.179 18.782 ( 6.349 0.000 3.345) 7.176 18.958 ( -1.327 0.000 -2.803) 3.101 27.939 ( 1.141 0.000 -0.488) 1.241 28.010 ( -0.544 0.000 -1.383) 1.486 28.207 ( 3.002 0.000 3.821) 4.859 28.261 ( -1.761 0.000 3.590) 3.999 29.169 ( 4.359 0.000 2.263) 4.912 29.235 ( -0.888 0.000 -0.811) 1.202 29.380 ( -5.007 0.000 5.502) 7.439 29.836 ( 5.408 0.000 2.000) 5.766 30.001 ( -8.652 0.000 12.076) 14.855 30.086 ( 1.148 0.000 -6.667) 6.765 30.458 ( -4.227 0.000 -1.304) 4.424 31.039 ( 3.217 0.000 5.892) 6.713 31.409 ( 0.463 0.000 -8.532) 8.544 31.805 ( -2.717 0.000 -6.719) 7.248 32.996 ( -4.953 0.000 7.852) 9.284 34.059 ( 10.968 0.000 -13.081) 17.071 ======================= Grid point 153 (71/168) ======================= q-point: (-0.40 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -24.273 0.000 8.433) 25.696 1.871 ( -24.626 0.000 1.463) 24.670 2.831 ( -1.942 0.000 10.750) 10.924 2.874 ( 8.439 0.000 -5.175) 9.899 3.073 ( -9.505 0.000 3.102) 9.998 3.325 ( 10.911 0.000 -5.407) 12.177 3.574 ( -6.073 0.000 -5.744) 8.359 3.610 ( -15.655 0.000 -1.083) 15.693 3.807 ( 1.587 0.000 8.644) 8.788 3.821 ( -3.263 0.000 -3.786) 4.998 4.313 ( 6.052 0.000 5.651) 8.281 4.354 ( -14.350 0.000 -10.646) 17.868 4.678 ( -1.306 0.000 -8.691) 8.789 4.798 ( -4.000 0.000 -9.761) 10.549 5.201 ( -2.206 0.000 -0.596) 2.285 5.268 ( -0.868 0.000 0.820) 1.194 5.511 ( -6.118 0.000 -0.499) 6.138 5.731 ( -2.497 0.000 7.304) 7.719 6.068 ( 2.777 0.000 -2.587) 3.796 6.094 ( -9.772 0.000 -9.581) 13.686 6.241 ( 2.760 0.000 13.231) 13.516 6.381 ( -6.192 0.000 -9.720) 11.525 6.803 ( -5.472 0.000 -0.835) 5.536 6.863 ( 8.201 0.000 3.378) 8.870 7.061 ( -4.211 0.000 6.422) 7.679 7.228 ( -6.499 0.000 5.983) 8.834 7.390 ( -1.598 0.000 2.644) 3.090 7.575 ( 8.175 0.000 6.819) 10.645 7.650 ( -4.144 0.000 -1.485) 4.402 7.915 ( 5.810 0.000 -0.431) 5.826 8.036 ( -0.873 0.000 -3.787) 3.886 8.251 ( -2.894 0.000 1.057) 3.081 8.643 ( 19.475 0.000 -10.776) 22.257 8.723 ( 2.708 0.000 -7.183) 7.677 9.304 ( -6.361 0.000 5.193) 8.212 9.405 ( -3.523 0.000 -2.487) 4.312 11.181 ( 6.777 0.000 -1.835) 7.020 11.366 ( -0.276 0.000 -3.902) 3.911 11.767 ( -2.568 0.000 0.049) 2.569 11.904 ( 4.008 0.000 -2.336) 4.639 13.811 ( -3.459 0.000 1.766) 3.884 13.908 ( 8.233 0.000 1.783) 8.424 13.985 ( 8.257 0.000 8.456) 11.818 14.477 ( 7.540 0.000 -3.093) 8.150 15.294 ( -0.395 0.000 2.318) 2.351 15.305 ( -2.319 0.000 1.570) 2.800 15.877 ( 1.410 0.000 -6.338) 6.493 16.062 ( 1.979 0.000 -0.862) 2.159 16.125 ( -1.097 0.000 -2.780) 2.989 16.267 ( 0.540 0.000 -1.627) 1.714 16.495 ( -1.774 0.000 11.597) 11.732 16.860 ( 1.397 0.000 0.834) 1.627 18.555 ( -6.344 0.000 2.955) 6.999 18.568 ( -5.500 0.000 3.452) 6.494 18.863 ( -5.596 0.000 -3.927) 6.836 18.913 ( 4.997 0.000 3.641) 6.183 27.958 ( 1.121 0.000 0.316) 1.164 27.975 ( -1.753 0.000 -1.420) 2.256 28.252 ( -3.116 0.000 1.769) 3.583 28.297 ( 2.881 0.000 3.374) 4.437 29.187 ( -3.547 0.000 -1.091) 3.711 29.269 ( 4.558 0.000 1.549) 4.814 29.368 ( -4.361 0.000 6.096) 7.496 29.964 ( 6.791 0.000 2.855) 7.367 30.016 ( -5.066 0.000 8.703) 10.070 30.065 ( 4.763 0.000 -5.505) 7.280 30.380 ( -6.235 0.000 3.939) 7.375 31.159 ( 4.448 0.000 1.998) 4.876 31.365 ( 4.311 0.000 -4.167) 5.995 31.643 ( -6.160 0.000 -8.416) 10.430 32.957 ( -11.215 0.000 8.311) 13.959 34.069 ( 10.048 0.000 -14.639) 17.756 ======================= Grid point 154 (72/168) ======================= q-point: (-0.30 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -27.755 0.000 6.850) 28.588 1.588 ( -28.046 0.000 19.848) 34.359 2.663 ( -32.408 0.000 0.369) 32.410 2.916 ( -2.648 0.000 10.088) 10.429 3.078 ( 11.438 0.000 -6.452) 13.133 3.315 ( -16.499 0.000 -5.142) 17.281 3.332 ( -19.455 0.000 4.754) 20.028 3.430 ( 8.407 0.000 -4.830) 9.695 3.726 ( -1.447 0.000 -5.926) 6.100 3.928 ( -21.855 0.000 -8.925) 23.607 3.947 ( 3.159 0.000 8.162) 8.752 4.452 ( 3.311 0.000 -1.680) 3.713 4.552 ( -10.259 0.000 -5.428) 11.607 4.612 ( 3.937 0.000 -5.857) 7.057 5.181 ( -0.562 0.000 0.831) 1.003 5.259 ( -0.165 0.000 -3.735) 3.739 5.359 ( -12.098 0.000 3.833) 12.691 5.747 ( -3.926 0.000 3.334) 5.150 5.837 ( -10.995 0.000 -5.139) 12.136 6.091 ( 2.477 0.000 -0.441) 2.516 6.111 ( -9.404 0.000 -13.791) 16.692 6.366 ( -6.884 0.000 14.147) 15.733 6.713 ( -4.963 0.000 -0.475) 4.986 7.003 ( 5.103 0.000 -4.731) 6.958 7.095 ( 2.090 0.000 5.531) 5.913 7.180 ( -7.503 0.000 4.950) 8.988 7.412 ( -1.611 0.000 5.523) 5.753 7.504 ( -5.768 0.000 -5.914) 8.261 7.760 ( 8.393 0.000 3.646) 9.151 7.982 ( 2.921 0.000 0.383) 2.946 8.108 ( 4.170 0.000 6.768) 7.950 8.265 ( 2.124 0.000 2.185) 3.047 8.610 ( 10.181 0.000 -22.619) 24.805 8.855 ( 9.832 0.000 -5.810) 11.420 9.287 ( -4.725 0.000 7.298) 8.694 9.421 ( 4.133 0.000 7.516) 8.577 11.278 ( 5.966 0.000 0.146) 5.967 11.283 ( -0.177 0.000 -8.135) 8.137 11.721 ( -2.277 0.000 -0.789) 2.410 11.970 ( 4.374 0.000 0.749) 4.438 13.773 ( -1.605 0.000 -1.476) 2.181 14.034 ( 6.193 0.000 -0.783) 6.242 14.229 ( 10.818 0.000 6.809) 12.782 14.591 ( 11.747 0.000 -4.377) 12.536 15.300 ( -0.680 0.000 2.301) 2.400 15.318 ( -0.508 0.000 2.939) 2.982 15.841 ( 1.964 0.000 -2.630) 3.283 16.032 ( 1.428 0.000 -6.587) 6.740 16.137 ( -0.218 0.000 4.386) 4.392 16.242 ( -0.050 0.000 -3.642) 3.642 16.623 ( 0.237 0.000 11.786) 11.788 16.890 ( 2.689 0.000 -1.251) 2.965 18.455 ( -9.132 0.000 1.672) 9.284 18.493 ( -9.657 0.000 4.319) 10.579 18.703 ( -8.195 0.000 -4.317) 9.262 19.011 ( 3.589 0.000 0.189) 3.594 27.928 ( -2.031 0.000 -1.266) 2.393 27.974 ( 0.460 0.000 0.024) 0.461 28.209 ( -3.551 0.000 0.137) 3.554 28.370 ( 2.169 0.000 2.095) 3.015 29.110 ( -4.085 0.000 -1.156) 4.245 29.293 ( -1.183 0.000 -1.241) 1.715 29.418 ( 0.248 0.000 6.236) 6.241 30.007 ( -1.905 0.000 -1.146) 2.223 30.059 ( 7.689 0.000 -8.308) 11.320 30.142 ( 4.836 0.000 6.697) 8.261 30.430 ( -3.484 0.000 22.082) 22.355 31.205 ( 6.604 0.000 -7.155) 9.737 31.437 ( -6.944 0.000 -8.316) 10.834 31.448 ( 4.379 0.000 3.808) 5.803 32.850 ( -14.839 0.000 9.640) 17.695 34.010 ( 6.676 0.000 -21.257) 22.280 ======================= Grid point 155 (73/168) ======================= q-point: (-0.20 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -26.939 0.000 16.848) 31.774 1.377 ( -31.366 0.000 19.407) 36.884 2.099 ( -45.193 0.000 22.123) 50.317 2.873 ( -18.359 0.000 -9.766) 20.795 3.015 ( -5.650 0.000 6.219) 8.403 3.063 ( -20.142 0.000 1.452) 20.194 3.133 ( 4.179 0.000 -11.507) 12.243 3.500 ( 2.575 0.000 -0.634) 2.652 3.556 ( -8.345 0.000 -6.710) 10.708 3.681 ( -0.340 0.000 -1.698) 1.732 4.083 ( 3.695 0.000 5.866) 6.933 4.216 ( -12.549 0.000 -4.951) 13.490 4.555 ( 1.969 0.000 -1.384) 2.407 4.693 ( 11.616 0.000 -0.161) 11.617 5.124 ( -5.141 0.000 -4.196) 6.636 5.194 ( -0.624 0.000 2.483) 2.560 5.337 ( -3.297 0.000 8.239) 8.875 5.616 ( -6.993 0.000 -6.033) 9.236 5.700 ( -5.705 0.000 0.336) 5.715 5.852 ( -7.026 0.000 -3.342) 7.781 6.125 ( -0.851 0.000 2.954) 3.074 6.371 ( -6.704 0.000 6.695) 9.475 6.641 ( -3.349 0.000 -0.647) 3.411 6.976 ( 0.577 0.000 -3.884) 3.926 7.125 ( -5.210 0.000 4.565) 6.927 7.154 ( 0.617 0.000 -0.989) 1.166 7.380 ( -2.173 0.000 -3.719) 4.307 7.464 ( 0.320 0.000 5.406) 5.416 7.932 ( 6.875 0.000 1.527) 7.042 8.019 ( -0.022 0.000 1.851) 1.851 8.201 ( -2.564 0.000 6.453) 6.944 8.380 ( 9.231 0.000 1.647) 9.377 8.438 ( -0.112 0.000 -25.585) 25.585 8.844 ( 4.233 0.000 -11.066) 11.848 9.305 ( -6.011 0.000 8.745) 10.611 9.650 ( 7.736 0.000 7.995) 11.125 11.201 ( 2.033 0.000 -8.186) 8.435 11.347 ( 3.055 0.000 -1.496) 3.401 11.701 ( -0.233 0.000 1.667) 1.683 12.040 ( 3.208 0.000 0.811) 3.309 13.735 ( 0.100 0.000 -1.960) 1.963 14.080 ( 2.768 0.000 -3.085) 4.144 14.461 ( 9.413 0.000 4.676) 10.511 14.727 ( 12.500 0.000 -5.918) 13.830 15.330 ( -0.831 0.000 0.043) 0.833 15.335 ( 1.226 0.000 1.974) 2.324 15.938 ( 8.910 0.000 6.437) 10.992 15.981 ( 1.273 0.000 -5.726) 5.865 16.188 ( -0.367 0.000 -2.969) 2.992 16.199 ( 0.872 0.000 5.309) 5.380 16.754 ( 0.175 0.000 9.530) 9.532 16.912 ( 2.785 0.000 -2.812) 3.958 18.321 ( -9.010 0.000 0.776) 9.043 18.365 ( -12.296 0.000 3.883) 12.894 18.525 ( -7.715 0.000 -3.635) 8.529 18.955 ( -5.272 0.000 -13.396) 14.396 27.888 ( -1.390 0.000 -0.749) 1.579 27.965 ( -1.065 0.000 -0.988) 1.453 28.149 ( -3.099 0.000 -1.092) 3.286 28.406 ( 0.763 0.000 -0.161) 0.780 29.042 ( -2.859 0.000 -0.724) 2.949 29.236 ( -2.448 0.000 -3.347) 4.147 29.454 ( -3.047 0.000 3.117) 4.359 29.985 ( 1.176 0.000 1.253) 1.718 30.056 ( 5.104 0.000 -9.663) 10.928 30.309 ( 4.819 0.000 8.030) 9.365 30.840 ( 14.830 0.000 36.051) 38.982 31.244 ( 10.343 0.000 -8.569) 13.431 31.261 ( -4.169 0.000 -5.484) 6.889 31.539 ( 1.545 0.000 2.857) 3.248 32.720 ( -16.505 0.000 11.267) 19.984 33.680 ( -11.304 0.000 -36.533) 38.242 ======================= Grid point 156 (74/168) ======================= q-point: (-0.10 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -32.244 0.000 16.720) 36.322 1.069 ( -19.145 0.000 26.752) 32.897 1.964 ( -28.485 0.000 50.973) 58.392 2.374 ( -21.317 0.000 -16.184) 26.765 2.719 ( -14.225 0.000 -4.633) 14.960 3.053 ( -0.510 0.000 4.847) 4.874 3.056 ( 2.188 0.000 -7.725) 8.028 3.401 ( -4.787 0.000 -5.699) 7.442 3.458 ( -3.987 0.000 -4.044) 5.679 3.706 ( 3.143 0.000 1.081) 3.323 4.061 ( -4.023 0.000 1.144) 4.183 4.204 ( 4.352 0.000 3.402) 5.523 4.539 ( -0.375 0.000 -1.414) 1.463 4.914 ( 12.819 0.000 -2.608) 13.082 5.074 ( 1.233 0.000 0.231) 1.254 5.247 ( 5.584 0.000 1.885) 5.894 5.400 ( -2.090 0.000 10.074) 10.289 5.484 ( -3.965 0.000 0.855) 4.056 5.736 ( 5.301 0.000 3.881) 6.570 5.829 ( 3.288 0.000 8.281) 8.910 6.102 ( -9.799 0.000 7.087) 12.093 6.332 ( 0.416 0.000 -4.754) 4.773 6.597 ( -1.927 0.000 0.867) 2.113 6.949 ( -1.792 0.000 -1.078) 2.091 7.132 ( 2.219 0.000 -2.924) 3.671 7.156 ( 1.880 0.000 6.336) 6.609 7.349 ( 1.148 0.000 -0.866) 1.438 7.540 ( 3.976 0.000 -0.786) 4.053 7.902 ( -20.220 0.000 -16.462) 26.074 7.935 ( -2.167 0.000 -7.093) 7.416 8.084 ( -6.841 0.000 1.452) 6.993 8.239 ( -2.720 0.000 8.079) 8.524 8.543 ( 8.825 0.000 0.179) 8.827 8.811 ( 6.823 0.000 -7.967) 10.489 9.249 ( -12.425 0.000 5.487) 13.582 9.694 ( -5.155 0.000 -4.562) 6.884 11.158 ( 3.801 0.000 -7.457) 8.370 11.347 ( 1.938 0.000 -4.278) 4.697 11.749 ( 0.596 0.000 5.159) 5.193 12.091 ( 1.869 0.000 0.922) 2.084 13.760 ( 2.698 0.000 1.685) 3.181 14.071 ( 1.649 0.000 -3.665) 4.019 14.609 ( 3.226 0.000 2.472) 4.064 14.838 ( 10.047 0.000 -6.447) 11.937 15.303 ( -0.238 0.000 -1.289) 1.310 15.351 ( -1.328 0.000 -0.106) 1.333 15.943 ( 1.710 0.000 -5.304) 5.572 16.018 ( 2.530 0.000 -11.027) 11.313 16.283 ( 1.010 0.000 6.429) 6.508 16.462 ( 26.341 0.000 13.244) 29.483 16.826 ( -2.496 0.000 5.496) 6.036 16.908 ( 1.379 0.000 -3.673) 3.923 18.178 ( -15.832 0.000 -2.682) 16.057 18.204 ( -5.941 0.000 -0.053) 5.941 18.405 ( -2.543 0.000 -1.851) 3.146 18.474 ( -28.161 0.000 -11.419) 30.388 27.871 ( -0.122 0.000 0.131) 0.179 27.929 ( -1.488 0.000 -0.668) 1.631 28.091 ( -1.939 0.000 -1.865) 2.690 28.380 ( -1.391 0.000 -3.587) 3.847 29.008 ( -0.824 0.000 0.021) 0.825 29.156 ( -1.914 0.000 -3.232) 3.756 29.422 ( -4.436 0.000 3.039) 5.377 30.001 ( 2.349 0.000 -9.842) 10.119 30.081 ( 3.432 0.000 7.392) 8.150 30.462 ( 2.848 0.000 7.227) 7.768 31.181 ( 1.841 0.000 -2.048) 2.754 31.343 ( 12.698 0.000 -6.024) 14.055 31.556 ( -0.167 0.000 -1.369) 1.380 31.673 ( 30.009 0.000 18.664) 35.340 32.588 ( -17.026 0.000 11.831) 20.733 32.826 ( -34.249 0.000 -22.145) 40.785 ======================= Grid point 157 (75/168) ======================= q-point: ( 0.00 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 9.237 12.819 13.157) 20.561 1.514 ( -4.879 23.414 21.262) 32.002 1.952 ( -9.057 4.082 -14.577) 17.640 2.433 ( -15.669 22.010 36.494) 45.407 2.690 ( 2.199 4.281 4.088) 6.314 3.088 ( 3.474 -1.236 5.939) 6.990 3.118 ( 5.583 1.752 -4.292) 7.257 3.259 ( -0.949 -1.796 -0.742) 2.163 3.386 ( 6.472 2.835 -7.924) 10.617 3.753 ( 3.391 -2.075 1.955) 4.430 4.116 ( -1.645 5.288 1.369) 5.705 4.275 ( 7.596 -3.384 0.455) 8.328 4.540 ( -0.290 -0.658 0.666) 0.980 4.845 ( 7.323 -13.837 3.574) 16.058 5.041 ( 2.649 -5.714 1.274) 6.426 5.280 ( 2.516 -3.427 -1.495) 4.506 5.470 ( -5.908 -0.433 8.142) 10.069 5.637 ( -0.164 5.067 9.877) 11.102 5.895 ( 2.351 -1.070 8.369) 8.758 5.940 ( 3.637 -2.028 7.113) 8.242 6.061 ( -4.952 1.550 -1.236) 5.334 6.310 ( -0.863 4.457 -0.254) 4.547 6.662 ( 4.035 3.073 -1.183) 5.208 6.893 ( -3.990 0.947 -1.300) 4.302 7.140 ( -0.205 -1.491 -0.563) 1.607 7.175 ( -9.817 -4.669 -3.041) 11.288 7.340 ( 4.369 2.626 4.078) 6.528 7.472 ( -6.274 2.764 3.606) 7.747 7.640 ( 3.328 -1.177 -8.073) 8.811 7.874 ( 5.651 5.944 -13.741) 16.003 8.057 ( -1.095 -0.701 0.870) 1.564 8.323 ( -1.969 2.610 3.552) 4.828 8.633 ( 5.935 -1.830 -1.800) 6.466 8.910 ( 10.969 -0.279 -0.950) 11.014 9.023 ( -15.274 -1.844 -1.093) 15.424 9.424 ( -4.608 -5.874 -4.948) 8.956 11.159 ( 4.068 0.995 -3.564) 5.499 11.404 ( 2.381 6.725 -6.059) 9.360 11.759 ( -0.496 -5.462 6.295) 8.349 12.083 ( 0.755 -2.784 -0.076) 2.885 13.833 ( -2.338 3.591 2.049) 4.750 14.118 ( 1.498 5.098 -4.406) 6.902 14.576 ( -4.933 -3.091 0.910) 5.892 14.855 ( 3.324 -2.755 -6.412) 7.730 15.317 ( -3.243 3.024 -2.379) 5.032 15.371 ( 3.108 3.660 -1.475) 5.023 15.819 ( 1.290 -4.502 -7.625) 8.948 15.970 ( 1.909 1.030 -8.135) 8.419 16.384 ( 1.010 1.018 6.488) 6.645 16.660 ( -5.034 -4.672 0.781) 6.912 16.848 ( -0.721 -1.856 -3.439) 3.974 16.885 ( 5.254 -4.703 1.308) 7.172 17.876 ( -6.959 1.478 3.883) 8.104 18.147 ( -1.420 -1.009 1.721) 2.449 18.195 ( -5.460 -0.106 2.969) 6.216 18.404 ( 5.194 -1.190 -0.066) 5.329 27.896 ( -1.300 0.614 -0.712) 1.604 27.955 ( 1.696 2.513 -0.754) 3.124 28.043 ( -0.219 -0.504 -1.704) 1.791 28.279 ( -1.972 -1.411 -4.918) 5.484 29.118 ( 0.630 2.194 -2.527) 3.405 29.168 ( -0.173 10.542 -6.661) 12.471 29.407 ( -3.208 1.016 3.096) 4.572 29.865 ( -0.401 -3.376 -7.585) 8.312 30.314 ( 1.049 7.230 6.316) 9.657 30.613 ( -2.148 5.880 3.861) 7.355 31.181 ( -12.792 -3.224 1.811) 13.316 31.368 ( 5.924 -0.016 3.898) 7.092 31.532 ( -4.725 1.434 -3.225) 5.898 31.610 ( -10.738 7.084 -4.087) 13.498 32.361 ( -7.649 -8.420 11.606) 16.252 32.913 ( 34.275 -10.737 0.414) 35.920 ======================= Grid point 158 (76/168) ======================= q-point: ( 0.10 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 29.704 7.156 5.409) 31.028 1.720 ( 10.894 14.389 3.981) 18.482 1.831 ( 4.958 15.057 4.697) 16.533 2.595 ( -6.946 12.193 22.791) 26.765 2.753 ( -1.521 4.493 3.275) 5.764 3.092 ( 0.691 -3.719 -3.721) 5.306 3.247 ( 9.573 1.809 0.267) 9.746 3.438 ( 9.542 6.408 -6.848) 13.379 3.485 ( 16.560 5.758 10.623) 20.500 3.788 ( 1.259 -3.600 -2.642) 4.640 4.116 ( 3.426 7.102 -0.605) 7.908 4.389 ( 4.538 -2.389 0.342) 5.140 4.570 ( 3.383 -5.825 0.028) 6.736 4.990 ( 4.665 -9.349 -0.102) 10.449 5.102 ( 1.801 -11.022 4.880) 12.188 5.276 ( 1.799 -3.440 -3.496) 5.224 5.462 ( -8.374 -2.300 10.152) 13.360 5.771 ( 0.422 5.121 10.948) 12.094 5.880 ( -7.353 5.168 1.459) 9.105 6.014 ( 1.775 -4.424 -1.107) 4.894 6.189 ( 9.128 -1.343 12.854) 15.823 6.298 ( 1.011 7.165 -1.793) 7.455 6.706 ( 2.659 1.391 0.519) 3.045 6.814 ( -1.590 0.710 -3.725) 4.112 6.961 ( -5.369 2.963 -3.265) 6.947 7.160 ( -3.916 -6.749 0.626) 7.828 7.344 ( -2.626 -0.535 -4.375) 5.131 7.462 ( -6.320 2.769 2.180) 7.237 7.555 ( 2.006 5.567 -5.381) 7.998 7.855 ( 10.204 5.613 -12.746) 17.265 8.098 ( 1.591 -1.997 4.935) 5.556 8.398 ( 4.932 0.419 6.422) 8.108 8.651 ( -3.150 0.783 -5.659) 6.524 8.802 ( -6.888 -3.777 1.412) 7.981 9.126 ( 14.106 -0.852 0.475) 14.140 9.316 ( 0.659 -3.395 -6.900) 7.718 11.179 ( 2.849 1.996 -2.845) 4.494 11.356 ( 1.023 6.834 -6.918) 9.778 11.822 ( -0.987 -6.059 6.332) 8.820 12.089 ( 0.471 -2.979 -0.583) 3.072 13.784 ( -6.490 2.897 2.595) 7.567 14.075 ( -1.410 3.433 -4.209) 5.612 14.453 ( -11.290 -2.648 0.805) 11.624 14.791 ( -2.925 -3.614 -4.572) 6.521 15.233 ( -3.311 2.995 -1.481) 4.704 15.417 ( 3.331 3.435 -1.227) 4.940 15.761 ( 1.226 -4.271 -5.312) 6.925 15.904 ( 1.830 1.532 -7.981) 8.330 16.478 ( 0.609 0.534 7.547) 7.591 16.489 ( -12.850 -0.885 0.804) 12.905 16.756 ( -4.232 -2.464 -3.844) 6.226 16.893 ( -5.686 -3.451 0.548) 6.673 18.005 ( 13.038 -2.454 1.271) 13.328 18.192 ( 2.455 -2.385 3.889) 5.180 18.216 ( 6.511 2.664 -0.883) 7.090 18.537 ( 10.382 -1.154 0.562) 10.461 27.886 ( 0.379 -0.939 0.265) 1.047 27.969 ( 1.750 0.702 -1.584) 2.463 28.043 ( 1.166 0.622 0.560) 1.435 28.186 ( -1.971 -0.167 -5.414) 5.764 29.092 ( -0.040 1.224 -2.400) 2.694 29.137 ( 2.320 6.545 -2.435) 7.359 29.399 ( -3.020 0.655 4.154) 5.178 29.776 ( -0.251 -3.959 -6.675) 7.765 30.362 ( -7.012 4.783 8.487) 12.003 30.558 ( -7.329 2.241 0.894) 7.716 30.865 ( -20.904 7.314 5.523) 22.825 31.321 ( -10.013 1.594 -1.371) 10.231 31.583 ( 11.057 10.447 3.675) 15.649 31.735 ( 11.307 -4.984 0.594) 12.371 32.293 ( -7.154 -5.455 5.096) 10.340 33.420 ( 31.463 -12.567 -8.552) 34.942 ======================= Grid point 159 (77/168) ======================= q-point: ( 0.20 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 21.281 9.159 -0.242) 23.169 2.047 ( 13.213 13.510 13.353) 23.139 2.210 ( 23.732 7.209 7.571) 25.932 2.703 ( 1.129 5.569 1.849) 5.975 2.773 ( 0.020 4.864 4.920) 6.919 3.067 ( 1.293 -5.480 -2.295) 6.080 3.341 ( 3.318 5.130 -9.256) 11.091 3.521 ( 7.366 3.374 1.884) 8.318 3.760 ( 8.524 8.697 2.075) 12.353 3.881 ( 9.809 6.989 3.471) 12.534 4.239 ( 12.334 1.548 0.379) 12.437 4.403 ( -3.134 -1.615 0.812) 3.618 4.623 ( 7.396 -7.896 -7.106) 12.944 4.967 ( 0.325 -5.680 -6.950) 8.982 5.140 ( -3.207 -17.462 1.582) 17.824 5.303 ( -1.887 0.510 4.404) 4.819 5.468 ( -0.369 -4.301 5.836) 7.258 5.745 ( -3.671 6.447 -3.067) 8.028 5.913 ( -0.827 6.716 6.669) 9.501 6.038 ( 1.596 -0.671 0.069) 1.732 6.282 ( 0.136 2.770 -1.949) 3.390 6.493 ( 8.964 -6.546 12.418) 16.656 6.739 ( 2.922 1.681 -4.916) 5.961 6.790 ( 3.537 3.511 -2.082) 5.401 6.932 ( 3.396 -1.661 1.041) 3.921 7.029 ( -8.404 -1.184 -0.494) 8.501 7.182 ( -5.611 -0.642 -6.548) 8.647 7.408 ( -2.251 4.844 1.573) 5.569 7.616 ( 5.501 3.848 1.499) 6.879 7.862 ( 4.984 5.555 -7.966) 10.916 8.203 ( 3.503 -0.503 4.656) 5.849 8.443 ( -8.889 0.792 -6.020) 10.764 8.585 ( 6.222 -2.685 5.312) 8.610 8.830 ( 1.852 -4.292 5.678) 7.355 9.204 ( 3.254 4.349 -7.616) 9.354 9.407 ( 11.145 -5.299 2.321) 12.557 11.183 ( 1.223 2.560 -2.048) 3.499 11.286 ( 0.701 6.164 -7.056) 9.396 11.863 ( -2.400 -5.941 5.026) 8.143 12.081 ( 0.299 -3.526 -2.052) 4.090 13.708 ( -7.172 1.434 3.659) 8.178 13.960 ( -6.423 2.202 -4.611) 8.207 14.258 ( -14.374 -1.715 1.609) 14.565 14.675 ( -6.371 -3.591 -2.400) 7.697 15.206 ( 0.831 3.054 0.761) 3.255 15.427 ( 0.368 3.694 -2.297) 4.365 15.748 ( 2.213 -3.695 -1.555) 4.579 15.858 ( 3.036 0.906 -6.210) 6.972 16.326 ( -9.166 0.173 1.849) 9.352 16.562 ( -1.094 -0.387 3.838) 4.010 16.644 ( -4.124 -2.822 -0.521) 5.024 16.778 ( -8.385 -1.235 0.468) 8.488 18.204 ( 11.208 -3.464 -0.880) 11.764 18.304 ( 6.397 -2.169 3.131) 7.445 18.359 ( 11.524 3.500 -0.864) 12.075 18.716 ( 10.882 -1.108 0.330) 10.943 27.910 ( 1.614 -1.994 0.844) 2.700 27.977 ( 1.814 -0.530 -1.945) 2.712 28.085 ( 1.084 0.729 1.835) 2.252 28.106 ( -0.458 0.715 -3.076) 3.191 29.071 ( 0.455 1.415 -1.612) 2.193 29.167 ( 3.372 4.015 -0.643) 5.283 29.404 ( -3.266 0.393 5.120) 6.086 29.711 ( 0.515 -3.964 -4.711) 6.178 30.267 ( -17.412 3.127 11.176) 20.925 30.444 ( -6.668 0.390 -1.009) 6.756 30.721 ( -5.282 11.129 2.308) 12.533 31.145 ( -8.814 0.637 -2.633) 9.221 31.704 ( -0.925 -1.321 -0.425) 1.668 31.889 ( 5.758 10.195 3.873) 12.333 32.362 ( 10.329 -9.218 3.142) 14.197 33.719 ( 21.638 -9.895 -11.061) 26.238 ======================= Grid point 160 (78/168) ======================= q-point: ( 0.30 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 11.295 12.737 13.013) 21.428 2.416 ( 19.264 6.567 4.943) 20.944 2.481 ( 1.450 2.386 1.787) 3.315 2.723 ( 0.422 5.420 -1.724) 5.703 2.871 ( 11.999 3.535 -1.890) 12.651 3.053 ( 1.711 7.916 -5.647) 9.873 3.292 ( 4.681 -10.095 -3.167) 11.569 3.647 ( 2.877 1.866 3.396) 4.826 3.939 ( 8.270 10.476 2.743) 13.627 3.997 ( 3.852 13.389 0.694) 13.949 4.326 ( -5.781 -1.124 -1.401) 6.054 4.465 ( 14.414 1.108 -2.164) 14.618 4.634 ( 4.767 -8.836 -6.157) 11.777 4.905 ( 3.836 -3.781 -8.466) 10.034 5.085 ( -2.159 -19.588 -2.032) 19.811 5.282 ( -5.169 4.103 4.940) 8.244 5.566 ( 4.938 -5.099 2.456) 7.511 5.666 ( -0.743 5.151 -4.591) 6.940 5.938 ( -0.180 6.786 1.427) 6.937 6.021 ( -1.030 3.882 -3.797) 5.527 6.298 ( 2.298 -4.188 2.162) 5.244 6.595 ( -6.175 -10.805 0.653) 12.462 6.776 ( 10.598 4.344 -7.124) 13.488 6.866 ( 3.646 -0.854 2.553) 4.532 6.988 ( 3.015 3.739 1.978) 5.195 7.065 ( 5.870 -1.914 4.807) 7.825 7.105 ( 1.066 -0.172 1.684) 2.000 7.397 ( -2.203 8.742 1.742) 9.182 7.705 ( 1.849 1.335 2.953) 3.731 7.839 ( 2.251 4.815 -5.182) 7.423 8.251 ( -4.403 -0.002 -3.044) 5.353 8.300 ( -1.076 2.804 3.850) 4.883 8.638 ( 1.616 -5.258 -6.748) 8.706 8.953 ( 2.402 -4.132 4.378) 6.481 9.196 ( 2.979 3.481 -0.190) 4.586 9.576 ( 5.539 -2.920 2.560) 6.764 11.164 ( 0.701 2.609 -4.105) 4.915 11.246 ( 2.295 4.737 -2.753) 5.940 11.853 ( -4.562 -4.986 2.968) 7.381 12.046 ( -0.120 -4.285 -4.443) 6.174 13.651 ( -5.874 -0.517 4.677) 7.527 13.805 ( -6.801 1.630 -1.990) 7.271 14.063 ( -12.708 -0.075 2.776) 13.008 14.545 ( -6.583 -3.033 -1.665) 7.437 15.261 ( 2.631 2.564 2.418) 4.398 15.390 ( -1.011 4.380 -2.190) 5.000 15.794 ( 3.600 -2.889 1.383) 4.819 15.861 ( 4.342 -0.205 -3.757) 5.745 16.243 ( -4.458 0.054 2.237) 4.988 16.463 ( -4.833 -2.542 -5.985) 8.102 16.626 ( -7.821 -0.870 2.156) 8.159 16.710 ( -1.227 -0.315 5.970) 6.103 18.350 ( 8.125 -2.892 0.083) 8.625 18.450 ( 7.408 -1.482 2.766) 8.045 18.525 ( 9.408 3.571 0.075) 10.063 18.869 ( 7.983 -1.172 -0.274) 8.073 27.950 ( 2.083 -1.741 0.545) 2.769 27.972 ( 0.351 -0.960 -2.002) 2.248 28.070 ( 1.193 0.258 -0.934) 1.537 28.158 ( 1.358 0.065 4.227) 4.440 29.074 ( 1.359 1.820 -0.146) 2.276 29.219 ( 3.378 2.980 -0.022) 4.505 29.410 ( -3.780 0.490 5.636) 6.804 29.688 ( 1.671 -3.548 -2.185) 4.489 30.132 ( -15.065 3.232 10.937) 18.895 30.317 ( -6.581 -0.036 -2.625) 7.085 30.684 ( -1.981 10.803 -0.295) 10.987 31.004 ( -5.783 0.579 -0.820) 5.870 31.602 ( -6.804 -5.502 -2.788) 9.184 31.998 ( 6.502 13.721 -3.187) 15.514 32.609 ( 11.066 -9.813 6.956) 16.344 33.876 ( 15.377 -7.797 -11.642) 20.804 ======================= Grid point 161 (79/168) ======================= q-point: ( 0.40 0.14 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -9.106 2.037 -1.393) 9.434 2.527 ( -3.334 12.040 5.439) 13.625 2.669 ( 4.131 5.425 3.610) 7.715 2.749 ( 11.041 6.047 -3.955) 13.195 2.997 ( 8.372 4.143 -3.444) 9.956 3.094 ( 5.176 6.906 4.929) 9.938 3.397 ( 8.426 -12.507 -0.174) 15.082 3.685 ( -1.025 2.934 1.809) 3.596 3.978 ( -3.169 5.865 2.116) 6.994 4.107 ( 6.726 14.369 -2.215) 16.019 4.206 ( -4.523 -0.110 -3.190) 5.536 4.601 ( 7.892 1.311 -4.855) 9.358 4.672 ( 4.945 -7.882 -0.599) 9.323 4.867 ( 1.934 -4.340 -7.177) 8.607 5.069 ( 1.868 -14.759 -0.145) 14.877 5.292 ( 0.715 3.761 2.464) 4.553 5.626 ( 2.119 3.780 -3.731) 5.719 5.666 ( 4.513 -2.370 1.982) 5.469 5.960 ( -0.113 2.497 -4.195) 4.883 5.978 ( 3.247 6.196 1.551) 7.165 6.356 ( -0.078 -7.029 1.503) 7.189 6.508 ( -3.019 -7.252 0.434) 7.867 6.787 ( 3.848 3.979 -10.635) 11.989 6.931 ( 1.425 -0.031 4.023) 4.268 7.074 ( -1.903 -3.429 -3.573) 5.305 7.105 ( 2.455 -0.867 5.899) 6.448 7.256 ( 2.731 1.408 7.183) 7.812 7.400 ( 1.630 8.216 1.762) 8.560 7.736 ( -1.525 1.286 2.145) 2.929 7.829 ( 2.768 5.171 -2.708) 6.460 8.171 ( -3.485 -0.917 1.477) 3.894 8.359 ( 2.986 3.871 3.246) 5.868 8.519 ( -2.360 -4.112 -11.479) 12.420 8.950 ( 2.784 1.340 -9.622) 10.106 9.265 ( -3.030 -3.876 8.200) 9.563 9.624 ( -0.931 -0.512 -0.561) 1.202 11.132 ( 3.420 1.806 -6.391) 7.470 11.285 ( 2.252 2.515 2.210) 4.035 11.806 ( -4.320 -3.502 2.128) 5.954 11.976 ( -0.301 -4.049 -6.920) 8.024 13.643 ( -1.496 -2.061 4.835) 5.465 13.733 ( -3.493 0.411 3.996) 5.323 13.934 ( -7.762 1.595 3.067) 8.497 14.444 ( -3.331 -2.577 -1.775) 4.570 15.311 ( -0.155 2.760 2.070) 3.454 15.369 ( 0.806 5.206 -0.525) 5.294 15.885 ( 3.843 -2.271 3.419) 5.623 15.893 ( 4.181 -1.035 -2.951) 5.221 16.225 ( -1.040 -1.140 1.237) 1.978 16.320 ( -3.799 -2.367 -6.181) 7.632 16.520 ( -7.463 1.334 2.240) 7.905 16.770 ( -0.765 -1.087 5.708) 5.861 18.459 ( 4.238 -2.769 1.553) 5.296 18.590 ( 4.961 0.003 3.789) 6.242 18.652 ( 6.158 2.574 0.918) 6.737 18.953 ( 3.431 -1.144 -1.129) 3.788 27.947 ( -0.132 0.458 -1.445) 1.521 27.987 ( 1.636 -2.415 -0.223) 2.926 28.106 ( 1.975 -1.162 2.131) 3.129 28.222 ( 0.342 -0.584 4.163) 4.218 29.113 ( 2.441 2.126 1.682) 3.648 29.264 ( 1.670 2.695 0.357) 3.191 29.415 ( -3.573 1.511 5.574) 6.791 29.716 ( 3.053 -3.076 0.518) 4.364 30.042 ( -10.944 2.438 8.879) 14.302 30.196 ( -4.352 1.181 -2.190) 5.013 30.635 ( -2.250 9.395 -2.613) 10.008 30.958 ( -1.270 0.013 2.664) 2.951 31.469 ( -3.213 -4.584 -5.818) 8.074 32.006 ( 2.358 10.707 -7.721) 13.410 32.825 ( 4.088 -7.927 8.750) 12.494 33.951 ( 11.566 -7.038 -11.999) 18.091 ======================= Grid point 162 (80/168) ======================= q-point: (-0.50 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -16.248 4.576 -0.645) 16.892 2.391 ( -15.171 14.375 0.362) 20.903 2.756 ( 3.054 1.313 1.897) 3.828 2.847 ( 7.666 7.852 -3.275) 11.452 3.092 ( -1.167 -2.200 6.312) 6.786 3.266 ( 10.533 6.306 1.272) 12.343 3.475 ( 0.497 -5.899 -0.821) 5.976 3.699 ( 0.960 0.737 2.367) 2.659 3.922 ( -3.635 1.965 -2.404) 4.781 4.096 ( -1.195 14.660 -7.594) 16.553 4.176 ( -0.309 -0.189 5.532) 5.544 4.592 ( -0.474 -0.764 -7.618) 7.671 4.725 ( 1.984 -4.980 -1.824) 5.662 4.829 ( 1.492 -2.962 -4.715) 5.765 5.096 ( -0.781 -8.308 1.999) 8.580 5.320 ( -0.890 2.660 1.162) 3.035 5.631 ( 3.223 3.090 -4.928) 6.650 5.760 ( 2.643 -0.965 4.707) 5.484 5.915 ( 0.161 0.080 -4.250) 4.254 6.079 ( 3.332 4.088 5.765) 7.814 6.297 ( -3.844 -5.405 -3.543) 7.519 6.517 ( -1.105 -2.382 3.582) 4.442 6.720 ( 0.404 -1.884 -3.580) 4.066 6.884 ( -8.947 -4.610 -6.092) 11.765 7.009 ( -0.750 1.144 2.523) 2.870 7.214 ( -1.167 -3.519 7.717) 8.561 7.330 ( 2.442 0.632 5.418) 5.976 7.468 ( 2.519 5.500 1.276) 6.182 7.719 ( -2.854 2.032 1.435) 3.786 7.879 ( 6.237 4.754 -1.723) 8.029 8.123 ( -5.424 -1.571 -0.445) 5.665 8.342 ( -2.737 -1.336 -8.739) 9.255 8.495 ( 10.894 4.264 0.931) 11.736 8.860 ( 3.204 3.723 -13.248) 14.129 9.259 ( -6.626 -6.863 5.519) 11.020 9.549 ( -4.811 1.044 -3.568) 6.080 11.133 ( 5.615 1.142 -5.652) 8.049 11.342 ( 1.151 -0.955 1.726) 2.283 11.778 ( -2.632 -1.839 2.213) 3.899 11.899 ( 1.611 -2.355 -6.664) 7.249 13.714 ( 3.116 -3.289 3.786) 5.904 13.782 ( -1.220 -1.881 10.487) 10.725 13.889 ( -0.083 3.573 0.707) 3.643 14.408 ( 1.916 -2.363 -2.279) 3.801 15.323 ( -0.568 4.112 2.024) 4.618 15.383 ( 0.070 5.640 0.888) 5.710 15.904 ( 2.550 -0.807 -4.450) 5.192 15.984 ( 3.041 -2.066 3.342) 4.969 16.183 ( -1.806 -2.432 -5.182) 6.002 16.249 ( -0.176 -1.847 -0.591) 1.947 16.466 ( -4.839 2.470 6.194) 8.239 16.814 ( -0.018 -1.228 3.280) 3.502 18.513 ( -0.559 -2.547 2.650) 3.718 18.665 ( -1.631 3.453 4.009) 5.537 18.759 ( 5.291 -1.907 1.986) 5.964 18.951 ( -1.364 -0.716 -1.916) 2.458 27.935 ( -0.284 -0.489 -0.197) 0.599 27.998 ( 0.774 -0.746 -0.943) 1.430 28.169 ( 1.540 -2.841 3.419) 4.705 28.260 ( -0.498 -0.692 2.867) 2.991 29.185 ( 2.746 1.980 3.026) 4.541 29.278 ( -0.426 2.916 0.981) 3.106 29.425 ( -2.920 3.977 4.874) 6.935 29.791 ( 3.823 -3.207 2.460) 5.563 29.990 ( -5.530 0.662 5.606) 7.902 30.147 ( -1.314 3.533 1.445) 4.037 30.552 ( -3.429 8.213 -4.056) 9.781 31.017 ( 2.644 -1.868 4.768) 5.764 31.376 ( 0.859 -2.445 -6.687) 7.171 31.898 ( -2.508 7.353 -10.405) 12.986 32.929 ( -3.777 -5.265 9.008) 11.096 33.973 ( 9.122 -8.011 -12.581) 17.483 ======================= Grid point 163 (81/168) ======================= q-point: (-0.40 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -21.417 6.937 4.968) 23.054 2.107 ( -20.581 17.760 1.218) 27.212 2.821 ( 0.367 -0.934 4.297) 4.413 2.920 ( 4.057 3.286 -1.050) 5.325 3.103 ( -6.182 1.814 6.112) 8.880 3.381 ( -9.722 -3.810 2.419) 10.718 3.402 ( 7.388 6.282 -7.024) 11.974 3.756 ( 1.101 -2.996 -1.192) 3.407 3.834 ( -1.092 -0.047 -1.386) 1.765 3.913 ( -11.665 14.534 -6.924) 19.881 4.243 ( -3.266 -1.794 2.179) 4.317 4.430 ( -7.163 1.233 -3.317) 7.989 4.695 ( 0.259 2.983 -4.683) 5.559 4.751 ( -3.919 -3.593 -6.545) 8.433 5.073 ( -4.191 -6.946 0.712) 8.143 5.306 ( -3.430 1.839 4.191) 5.719 5.574 ( -1.620 2.192 -7.568) 8.044 5.846 ( 1.117 -1.574 3.872) 4.326 5.862 ( -1.499 -0.840 -3.162) 3.599 6.061 ( -10.905 -3.207 -0.273) 11.371 6.273 ( -1.928 1.783 5.574) 6.162 6.514 ( -2.837 6.351 -0.047) 6.956 6.668 ( -8.697 -13.264 -3.325) 16.205 6.778 ( 8.502 -5.863 1.918) 10.504 7.013 ( -2.550 1.437 3.581) 4.625 7.236 ( -4.838 -0.146 6.299) 7.944 7.438 ( 0.250 1.413 1.397) 2.003 7.565 ( 8.817 -0.200 4.955) 10.116 7.676 ( -4.394 2.248 -0.125) 4.938 7.927 ( 2.035 -0.522 -2.787) 3.490 8.020 ( -0.807 -0.346 -3.860) 3.959 8.264 ( -1.049 1.107 0.458) 1.592 8.699 ( 17.963 3.586 -12.892) 22.399 8.777 ( 3.174 5.239 -3.654) 7.132 9.231 ( -4.410 -5.720 6.375) 9.633 9.417 ( -5.294 0.110 -4.018) 6.647 11.175 ( 5.575 -0.607 -3.355) 6.535 11.344 ( 0.989 -2.195 -3.631) 4.357 11.753 ( -2.778 -0.829 0.535) 2.949 11.900 ( 4.396 -0.529 -1.812) 4.784 13.762 ( -2.263 -3.381 3.107) 5.120 13.925 ( 6.289 -0.128 5.764) 8.532 13.981 ( 8.304 0.921 3.521) 9.066 14.454 ( 7.652 -2.229 -2.966) 8.504 15.340 ( -0.463 4.287 1.773) 4.662 15.392 ( -0.600 7.562 2.094) 7.869 15.871 ( 1.127 -0.602 -5.733) 5.874 16.046 ( 2.131 -1.553 -0.803) 2.757 16.115 ( -1.016 -0.950 -1.333) 1.926 16.239 ( 0.274 -2.627 -1.553) 3.064 16.512 ( -1.538 1.672 9.947) 10.203 16.849 ( 1.596 -1.061 0.868) 2.104 18.501 ( -5.294 -2.170 3.204) 6.557 18.639 ( -6.664 3.727 3.284) 8.311 18.817 ( -1.897 -4.266 -2.108) 5.122 18.903 ( -1.020 -0.840 2.025) 2.418 27.927 ( -0.949 -1.284 0.304) 1.625 27.997 ( 0.568 0.810 -0.858) 1.310 28.210 ( -1.443 -3.297 2.504) 4.385 28.288 ( 1.313 -1.284 1.876) 2.625 29.217 ( -2.069 2.759 0.765) 3.533 29.324 ( 3.461 2.766 3.669) 5.752 29.430 ( -2.471 7.217 3.370) 8.339 29.869 ( 2.253 -4.164 2.309) 5.268 30.029 ( 1.772 0.781 6.788) 7.058 30.175 ( 1.808 5.566 1.905) 6.155 30.444 ( -5.140 6.291 -1.534) 8.267 31.114 ( 4.209 -4.098 0.560) 5.901 31.358 ( 4.002 -0.299 -2.182) 4.568 31.702 ( -6.021 4.656 -11.186) 13.530 32.920 ( -10.186 -2.827 9.057) 13.921 33.947 ( 6.587 -10.948 -14.166) 19.076 ======================= Grid point 164 (82/168) ======================= q-point: (-0.30 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -24.119 10.605 12.462) 29.146 1.797 ( -23.771 18.159 6.194) 30.548 2.778 ( -18.229 6.558 2.053) 19.481 2.928 ( -5.549 1.003 7.796) 9.622 3.031 ( -5.516 1.015 -2.819) 6.277 3.208 ( -9.887 -2.386 3.666) 10.812 3.452 ( 4.791 3.203 -4.782) 7.489 3.586 ( -14.612 12.536 -7.565) 20.686 3.669 ( -2.354 -4.626 -6.280) 8.147 3.840 ( -10.779 -4.011 -1.429) 11.590 4.021 ( -7.331 3.409 -0.428) 8.096 4.444 ( 2.204 -1.758 -0.617) 2.886 4.528 ( -10.893 -1.826 -3.976) 11.739 4.700 ( 3.803 8.281 -3.581) 9.791 5.000 ( -6.158 -10.168 2.230) 12.095 5.324 ( -2.320 2.029 6.594) 7.279 5.423 ( -4.032 2.482 -9.145) 10.298 5.771 ( -4.265 -5.865 -5.434) 9.062 5.845 ( -8.892 2.549 -2.985) 9.720 5.890 ( -4.924 1.269 5.028) 7.151 6.272 ( -6.175 -4.695 7.282) 10.640 6.423 ( -5.741 11.331 -1.769) 12.825 6.540 ( -5.290 -14.779 -0.590) 15.708 6.930 ( 4.278 -3.211 0.015) 5.349 7.069 ( 4.907 -0.386 3.642) 6.123 7.208 ( -7.062 0.976 5.357) 8.918 7.418 ( -2.106 0.009 0.238) 2.120 7.553 ( -6.424 2.467 -3.602) 7.768 7.780 ( 11.072 1.247 2.763) 11.479 7.920 ( 0.740 -4.946 -1.161) 5.134 8.073 ( 5.394 -2.531 5.369) 8.020 8.288 ( 0.587 1.777 2.255) 2.931 8.652 ( 8.237 3.442 -19.411) 21.365 8.919 ( 10.293 4.792 -6.710) 13.188 9.257 ( -4.538 -2.774 7.311) 9.041 9.365 ( 1.500 -4.832 5.756) 7.663 11.190 ( 1.385 -4.088 -4.717) 6.394 11.346 ( 5.477 1.201 -3.195) 6.453 11.706 ( -2.817 -0.551 -0.611) 2.935 11.968 ( 4.344 -0.366 0.353) 4.374 13.747 ( -1.399 -1.273 0.359) 1.926 14.064 ( 6.969 2.787 -0.592) 7.529 14.196 ( 10.450 -3.046 6.229) 12.541 14.575 ( 12.066 -1.836 -3.835) 12.793 15.344 ( -0.533 3.875 0.724) 3.978 15.424 ( 1.686 9.032 1.433) 9.299 15.841 ( 1.814 0.100 -1.408) 2.299 16.021 ( 0.865 -1.115 -5.620) 5.794 16.130 ( -0.351 -0.822 3.705) 3.811 16.219 ( 0.584 -2.087 -3.101) 3.784 16.626 ( 0.223 0.413 10.763) 10.773 16.885 ( 2.917 -0.682 -1.062) 3.178 18.423 ( -8.742 -1.666 2.891) 9.357 18.539 ( -10.221 2.963 2.881) 11.025 18.681 ( -7.865 -2.242 -4.242) 9.213 18.922 ( -2.575 -7.016 1.459) 7.615 27.913 ( -0.988 -0.283 0.330) 1.079 27.996 ( 0.307 1.063 -0.753) 1.338 28.187 ( -2.977 -1.993 0.415) 3.607 28.337 ( 1.947 -2.923 1.317) 3.751 29.181 ( -2.120 4.628 -0.371) 5.104 29.420 ( -0.978 0.133 6.429) 6.504 29.427 ( 3.088 12.604 -3.374) 13.408 29.938 ( 3.417 -1.892 2.736) 4.768 30.126 ( 2.372 2.012 -2.960) 4.294 30.237 ( 5.511 8.112 1.562) 9.930 30.441 ( -2.589 1.090 17.728) 17.949 31.151 ( 5.884 -4.975 -6.665) 10.188 31.439 ( 2.684 -0.051 2.408) 3.606 31.477 ( -5.500 2.745 -8.613) 10.582 32.829 ( -14.323 -1.569 9.512) 17.265 33.824 ( 0.278 -15.748 -18.945) 24.637 ======================= Grid point 165 (83/168) ======================= q-point: (-0.20 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -22.917 19.019 11.868) 32.059 1.483 ( -29.065 9.703 15.806) 34.478 2.396 ( -34.410 25.280 18.188) 46.411 2.822 ( -16.699 -1.675 -5.182) 17.565 2.947 ( -2.910 -4.582 4.892) 7.307 3.057 ( -13.680 -1.712 -4.770) 14.589 3.286 ( -9.484 9.495 -2.697) 13.689 3.481 ( 2.432 -1.195 -9.059) 9.456 3.528 ( -9.841 -0.695 -2.880) 10.277 3.634 ( -0.238 -3.224 -0.083) 3.234 4.060 ( 3.292 -2.511 2.229) 4.702 4.260 ( -11.709 3.552 -1.471) 12.324 4.528 ( 2.475 -3.585 1.716) 4.683 4.705 ( 3.014 1.268 -5.331) 6.254 4.966 ( -2.245 -6.767 3.902) 8.128 5.275 ( -2.951 0.618 -4.924) 5.774 5.381 ( -0.821 3.940 7.220) 8.266 5.618 ( -6.859 -2.961 -3.012) 8.055 5.704 ( -3.812 3.870 -0.228) 5.437 5.872 ( -5.434 4.533 4.658) 8.472 6.268 ( -8.022 -8.588 8.010) 14.222 6.311 ( -1.985 9.902 -3.267) 10.614 6.509 ( 1.926 -7.553 0.337) 7.802 6.940 ( -0.456 -1.773 -0.936) 2.056 7.147 ( -1.958 1.335 3.244) 4.017 7.163 ( -1.238 -0.101 0.961) 1.570 7.398 ( -1.835 0.384 -2.023) 2.758 7.440 ( -2.597 -0.970 1.197) 3.020 7.881 ( -0.997 -5.499 0.519) 5.612 8.007 ( 6.723 0.412 1.389) 6.877 8.208 ( 4.326 -2.090 2.158) 5.267 8.301 ( -0.875 -0.305 -1.894) 2.108 8.545 ( 4.625 4.470 -14.982) 16.304 8.898 ( 3.436 4.272 -11.756) 12.971 9.274 ( -4.995 -3.109 7.826) 9.791 9.516 ( 2.275 -10.151 8.224) 13.261 11.151 ( 2.228 -3.229 -5.467) 6.729 11.404 ( 4.469 3.230 -2.391) 6.010 11.671 ( -1.154 -1.869 1.122) 2.466 12.029 ( 3.039 -1.007 -0.043) 3.201 13.746 ( 1.445 1.949 0.220) 2.436 14.129 ( 4.347 4.231 -3.344) 6.927 14.421 ( 9.440 -3.715 4.462) 11.083 14.723 ( 12.687 -1.195 -5.528) 13.891 15.346 ( -0.207 3.052 0.491) 3.099 15.446 ( 2.437 7.484 -4.425) 9.029 15.921 ( 4.701 -1.147 -1.214) 4.989 15.993 ( 4.242 0.625 1.508) 4.545 16.145 ( -0.577 -2.809 1.221) 3.117 16.222 ( 2.273 1.178 1.440) 2.937 16.745 ( 0.047 -0.607 8.799) 8.820 16.913 ( 2.913 -0.208 -2.310) 3.724 18.305 ( -9.286 -1.163 2.122) 9.596 18.388 ( -12.151 1.621 1.732) 12.381 18.506 ( -7.914 -1.959 -3.316) 8.802 18.779 ( -14.700 -12.239 -5.661) 19.948 27.912 ( 0.332 1.601 0.499) 1.709 27.981 ( -0.765 1.076 -1.470) 1.976 28.137 ( -2.743 -1.242 -1.060) 3.192 28.367 ( 0.869 -3.427 -0.360) 3.554 29.151 ( -0.453 5.226 -1.246) 5.391 29.403 ( 2.160 16.048 -7.539) 17.861 29.450 ( -2.372 -0.130 1.557) 2.841 30.008 ( -0.179 2.410 -0.510) 2.470 30.098 ( 7.324 3.933 -5.441) 9.936 30.377 ( 4.301 5.888 7.516) 10.471 30.828 ( 15.880 -1.536 31.411) 35.230 31.180 ( 8.704 -5.692 -6.773) 12.411 31.287 ( -3.594 2.371 -6.526) 7.818 31.531 ( 1.533 -0.734 2.871) 3.336 32.691 ( -17.141 -2.404 9.279) 19.640 33.444 ( -17.854 -18.185 -26.093) 36.474 ======================= Grid point 166 (84/168) ======================= q-point: (-0.10 0.14 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -24.744 13.433 14.476) 31.659 1.409 ( -15.055 21.374 23.786) 35.345 2.241 ( -23.731 20.755 28.721) 42.648 2.417 ( -20.033 7.999 -5.093) 22.164 2.753 ( -12.229 2.971 -3.639) 13.101 2.974 ( 1.289 -3.838 3.120) 5.112 3.172 ( -4.458 5.069 -0.702) 6.787 3.342 ( -1.995 -2.968 -7.458) 8.271 3.437 ( -2.541 -1.294 -4.536) 5.358 3.676 ( 3.038 -1.649 1.678) 3.842 4.111 ( 0.160 2.096 0.360) 2.133 4.176 ( -0.232 -1.477 5.028) 5.246 4.552 ( 0.279 0.708 -1.428) 1.618 4.729 ( 4.776 -11.642 -0.355) 12.588 4.989 ( 1.418 -4.645 1.225) 5.008 5.243 ( 1.751 -0.946 0.169) 1.998 5.452 ( -1.018 2.419 5.413) 6.016 5.557 ( -2.030 2.796 5.672) 6.642 5.750 ( 4.416 1.375 6.384) 7.883 5.847 ( -3.353 3.130 5.526) 7.182 6.166 ( -9.423 -0.028 3.311) 9.988 6.315 ( 0.690 -0.023 0.021) 0.691 6.587 ( 6.537 2.525 -0.503) 7.026 6.934 ( -0.911 -1.173 1.365) 2.017 7.130 ( -1.799 0.146 0.837) 1.990 7.196 ( 4.622 1.491 1.909) 5.218 7.318 ( -3.222 -1.678 -2.792) 4.582 7.488 ( 3.155 -3.306 2.099) 5.029 7.803 ( -10.087 -6.765 -3.763) 12.716 7.982 ( -4.959 3.303 -6.595) 8.888 8.127 ( -1.259 1.492 -10.650) 10.828 8.307 ( -0.702 4.676 4.961) 6.853 8.550 ( 6.389 0.366 -1.723) 6.627 8.838 ( 4.260 2.184 -6.996) 8.478 9.223 ( -10.689 -2.475 3.573) 11.539 9.542 ( -5.172 -10.965 0.460) 12.132 11.142 ( 3.872 -0.969 -4.690) 6.158 11.421 ( 3.055 5.549 -4.425) 7.727 11.699 ( -0.027 -4.109 4.526) 6.113 12.065 ( 1.723 -2.097 -0.101) 2.715 13.801 ( 2.870 3.894 1.887) 5.192 14.137 ( 2.910 5.474 -4.758) 7.815 14.570 ( 3.536 -3.621 2.455) 5.625 14.829 ( 9.387 -1.487 -6.866) 11.725 15.341 ( 0.160 3.520 -0.896) 3.635 15.406 ( -0.377 4.557 -4.627) 6.506 15.886 ( 1.385 -3.854 -7.356) 8.419 16.029 ( 1.936 -0.562 -7.356) 7.627 16.296 ( 1.979 1.161 4.831) 5.348 16.406 ( 19.581 -3.640 11.813) 23.157 16.812 ( -1.970 -1.085 5.178) 5.645 16.914 ( 0.710 -0.235 -3.181) 3.268 18.166 ( -17.577 -1.588 -4.889) 18.313 18.196 ( -6.851 -0.842 1.762) 7.124 18.352 ( -18.232 -5.388 1.315) 19.057 18.404 ( -7.629 -1.315 -2.508) 8.138 27.931 ( 0.740 1.417 -0.053) 1.599 27.941 ( -1.028 2.715 -1.719) 3.374 28.082 ( -1.782 -0.895 -1.968) 2.801 28.349 ( -0.861 -2.802 -2.904) 4.126 29.134 ( 0.618 4.044 -2.115) 4.606 29.290 ( -0.319 15.073 -12.517) 19.595 29.426 ( -3.658 0.830 3.153) 4.900 29.952 ( -0.163 -1.919 -6.321) 6.608 30.206 ( 5.363 8.741 3.048) 10.698 30.531 ( 3.078 6.381 7.882) 10.598 31.187 ( 3.588 -1.055 -2.701) 4.613 31.256 ( 8.430 -5.714 -3.311) 10.709 31.542 ( 2.999 -1.175 -1.670) 3.628 31.680 ( 32.478 -1.314 21.460) 38.950 32.399 ( -32.644 -11.244 -0.338) 34.528 32.809 ( -21.372 -3.122 -5.309) 22.242 ======================= Grid point 167 (85/168) ======================= q-point: ( 0.00 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.114 16.598 7.696) 19.290 1.944 ( -2.292 13.417 4.638) 14.379 2.051 ( -6.896 8.044 4.687) 11.585 2.724 ( -4.301 -0.864 5.248) 6.840 3.009 ( -10.627 15.131 13.920) 23.143 3.059 ( 4.175 9.513 10.310) 14.637 3.117 ( 8.446 -1.942 3.124) 9.212 3.261 ( 1.714 3.944 -6.953) 8.176 3.482 ( 9.312 5.709 -8.304) 13.721 3.791 ( 2.480 5.713 6.574) 9.056 4.105 ( -0.067 -8.769 1.722) 8.937 4.201 ( 3.473 -0.057 3.237) 4.748 4.546 ( -3.058 -1.482 -0.739) 3.478 4.620 ( 6.451 -5.447 5.633) 10.150 4.973 ( 1.979 -0.379 -1.706) 2.640 5.168 ( 1.204 -7.484 -3.925) 8.536 5.461 ( -8.574 1.328 10.726) 13.796 5.709 ( -0.402 2.237 10.622) 10.863 5.828 ( 1.100 -4.296 7.087) 8.360 5.941 ( 1.778 -0.085 8.812) 8.990 6.063 ( -3.846 -1.207 1.702) 4.375 6.357 ( 0.119 -2.725 2.728) 3.858 6.769 ( -0.970 8.335 -0.398) 8.401 6.920 ( -3.219 2.121 -1.467) 4.124 7.074 ( 1.014 -1.478 -1.149) 2.129 7.171 ( -4.040 1.529 -7.803) 8.918 7.375 ( 6.148 1.295 3.346) 7.119 7.442 ( -4.936 -5.069 6.714) 9.754 7.671 ( 4.569 3.418 -3.343) 6.613 7.939 ( 6.510 -0.727 -11.775) 13.474 8.096 ( -1.015 4.251 -2.332) 4.953 8.345 ( -1.875 -0.807 -1.108) 2.323 8.583 ( 4.369 -2.071 -2.204) 5.314 8.851 ( -0.845 -6.012 1.158) 6.180 9.026 ( -3.759 2.936 -5.467) 7.255 9.311 ( -1.791 -4.836 -1.568) 5.390 11.197 ( 3.111 2.828 0.272) 4.213 11.528 ( 3.852 0.993 -2.590) 4.747 11.652 ( -1.671 -0.693 2.425) 3.025 12.010 ( 1.652 -4.222 -2.451) 5.155 13.940 ( -2.843 6.523 1.705) 7.317 14.241 ( 0.389 5.672 -5.343) 7.802 14.490 ( -3.806 -4.422 1.080) 5.933 14.767 ( 1.747 -5.456 -6.252) 8.480 15.407 ( -2.199 4.951 -5.429) 7.669 15.463 ( 3.460 5.188 -1.371) 6.385 15.730 ( 1.129 -3.811 -7.459) 8.452 15.942 ( 2.095 -3.787 -6.073) 7.457 16.419 ( 2.194 2.344 4.457) 5.493 16.568 ( 1.110 -3.248 3.046) 4.589 16.793 ( -1.095 -3.003 1.102) 3.382 16.806 ( -4.428 -3.075 -1.381) 5.565 17.920 ( -6.955 2.739 3.705) 8.343 18.102 ( -4.649 -2.517 4.206) 6.756 18.223 ( -0.578 2.037 -0.379) 2.151 18.368 ( 4.741 -2.139 -0.194) 5.205 27.916 ( -1.404 1.267 -1.426) 2.368 27.980 ( 0.275 -0.124 -1.968) 1.991 28.042 ( 0.363 0.781 -0.067) 0.864 28.231 ( -1.001 -3.163 -3.268) 4.656 29.168 ( -1.118 3.039 -1.456) 3.551 29.339 ( -2.500 2.126 -2.663) 4.226 29.474 ( -1.440 7.201 -7.907) 10.791 29.801 ( -2.114 -2.787 -8.493) 9.185 30.483 ( 0.813 8.740 3.885) 9.599 30.763 ( -6.444 7.336 1.978) 9.963 31.096 ( -5.057 -4.143 3.579) 7.453 31.349 ( 10.672 -3.377 4.407) 12.030 31.532 ( 3.279 1.971 -2.785) 4.732 31.827 ( -18.657 9.902 -0.160) 21.122 32.153 ( 7.424 -9.249 11.207) 16.317 32.671 ( 16.162 -11.899 1.888) 20.159 ======================= Grid point 168 (86/168) ======================= q-point: ( 0.10 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 23.836 10.195 3.256) 26.128 1.940 ( 13.566 7.930 -6.951) 17.182 2.208 ( 0.663 16.752 18.829) 25.211 2.742 ( -2.396 -0.735 6.781) 7.230 2.925 ( -6.227 7.343 2.312) 9.902 3.128 ( -2.856 10.695 -2.445) 11.337 3.288 ( 10.653 1.370 0.595) 10.757 3.541 ( 19.597 0.803 10.895) 22.436 3.584 ( 16.157 6.096 -8.128) 19.086 3.874 ( 0.902 11.393 3.974) 12.100 4.140 ( 2.511 -6.344 1.795) 7.055 4.300 ( 5.771 -5.165 -0.671) 7.774 4.489 ( -3.439 -0.046 0.795) 3.530 4.801 ( 4.345 -8.101 7.543) 11.891 4.970 ( 0.163 -1.340 -2.774) 3.085 5.127 ( 2.660 -9.227 -6.302) 11.486 5.464 ( -8.086 2.930 12.186) 14.916 5.809 ( -1.730 -2.078 8.553) 8.970 5.936 ( -0.799 1.030 8.988) 9.081 6.013 ( 0.047 2.291 0.209) 2.301 6.130 ( 5.052 -3.737 11.149) 12.798 6.382 ( 0.570 -2.004 1.115) 2.363 6.734 ( -3.730 4.413 2.043) 6.129 6.825 ( -3.522 1.123 -3.665) 5.206 7.039 ( -0.105 -2.035 -6.597) 6.905 7.081 ( 0.258 4.070 -5.209) 6.616 7.353 ( -5.501 1.811 -0.340) 5.801 7.499 ( -3.248 0.927 3.810) 5.092 7.668 ( 2.425 4.672 -2.611) 5.876 7.942 ( 9.839 1.656 -10.534) 14.509 8.110 ( 2.119 3.312 3.748) 5.432 8.370 ( 5.310 -2.907 0.659) 6.089 8.630 ( 3.795 -3.227 -2.507) 5.577 8.724 ( -7.725 -3.745 -4.791) 9.831 9.081 ( 9.349 -1.321 2.665) 9.811 9.272 ( 2.238 -1.668 -5.385) 6.065 11.239 ( 1.658 3.780 0.344) 4.142 11.519 ( 2.145 7.253 -7.108) 10.380 11.673 ( -2.116 -6.662 6.194) 9.340 12.004 ( 1.173 -5.021 -2.661) 5.803 13.872 ( -8.107 5.431 2.306) 10.027 14.155 ( -4.600 2.980 -4.348) 6.996 14.392 ( -9.041 -2.209 0.559) 9.324 14.689 ( -3.282 -5.936 -4.550) 8.167 15.323 ( -1.978 5.366 -2.718) 6.332 15.509 ( 3.754 5.101 -1.377) 6.482 15.673 ( 0.787 -4.080 -4.874) 6.405 15.896 ( 2.313 -2.549 -7.758) 8.487 16.481 ( -10.195 0.464 1.241) 10.281 16.500 ( -0.048 1.699 6.314) 6.539 16.691 ( -5.789 -3.509 -2.868) 7.352 16.800 ( -2.983 -5.169 1.070) 6.063 17.981 ( 7.633 0.390 2.666) 8.095 18.132 ( 2.355 -2.987 3.867) 5.424 18.280 ( 8.250 3.324 -1.018) 8.953 18.496 ( 10.256 -2.692 0.556) 10.618 27.886 ( -0.709 0.758 -0.525) 1.163 27.962 ( 0.859 -0.914 -2.262) 2.586 28.060 ( 0.957 0.967 1.202) 1.815 28.171 ( -1.243 -1.350 -3.754) 4.179 29.137 ( -0.786 3.072 -1.143) 3.371 29.276 ( 0.235 5.131 -3.999) 6.510 29.410 ( -2.311 0.980 0.768) 2.625 29.686 ( -1.249 -4.488 -6.637) 8.108 30.484 ( -8.434 6.525 5.389) 11.948 30.624 ( -10.312 3.282 -0.125) 10.822 31.009 ( -6.785 6.355 3.563) 9.956 31.399 ( -14.412 6.328 0.896) 15.766 31.582 ( 10.093 -9.162 0.375) 13.637 31.846 ( 9.650 10.436 6.628) 15.683 32.169 ( -3.747 -3.120 1.245) 5.032 33.096 ( 29.038 -17.381 -2.991) 33.975 ======================= Grid point 169 (87/168) ======================= q-point: ( 0.20 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 22.043 8.599 0.252) 23.662 2.279 ( 23.572 7.787 4.691) 25.264 2.438 ( 3.994 11.276 12.487) 17.292 2.801 ( 0.442 2.515 6.329) 6.824 2.900 ( 2.215 2.737 -0.455) 3.550 3.041 ( -1.602 9.160 -5.503) 10.805 3.398 ( 4.172 0.365 -4.561) 6.192 3.657 ( 8.829 6.473 -7.569) 13.309 3.951 ( 14.552 5.288 -0.170) 15.484 4.028 ( 11.156 8.303 10.623) 17.500 4.212 ( 5.178 -5.526 0.802) 7.615 4.354 ( 5.062 -3.069 -4.422) 7.389 4.465 ( -1.388 -2.628 2.017) 3.592 4.838 ( -5.129 -9.880 0.372) 11.138 4.924 ( 1.438 1.023 -5.965) 6.221 5.178 ( 8.624 -10.748 -1.176) 13.830 5.462 ( -8.663 4.277 10.039) 13.932 5.816 ( -4.543 -0.447 0.644) 4.610 5.975 ( 0.602 1.226 4.683) 4.878 6.109 ( 3.186 3.220 4.427) 6.334 6.324 ( 0.182 -5.062 10.628) 11.773 6.370 ( -1.109 2.977 -2.681) 4.157 6.733 ( 1.471 -0.954 0.501) 1.823 6.789 ( 1.918 -2.349 4.825) 5.699 6.926 ( -7.538 -3.894 -4.575) 9.640 7.022 ( 6.710 2.367 -8.906) 11.399 7.240 ( -4.864 6.792 -2.842) 8.824 7.482 ( 0.251 2.327 1.968) 3.058 7.737 ( 4.635 7.181 2.243) 8.837 7.986 ( 6.761 4.697 -8.295) 11.687 8.213 ( 3.784 2.119 5.039) 6.648 8.420 ( 0.607 -2.988 -6.051) 6.776 8.553 ( -2.676 -0.526 -1.174) 2.969 8.733 ( 4.329 -4.976 4.831) 8.176 9.228 ( 5.316 -3.269 -5.706) 8.456 9.311 ( 9.799 -2.025 1.753) 10.158 11.260 ( 0.372 4.692 0.759) 4.767 11.445 ( 0.082 8.457 -8.143) 11.741 11.711 ( -2.214 -7.805 5.731) 9.932 11.979 ( 0.209 -6.104 -3.888) 7.240 13.758 ( -10.014 3.355 3.661) 11.177 13.993 ( -10.374 -0.125 -2.287) 10.624 14.240 ( -10.065 1.103 0.217) 10.128 14.575 ( -5.739 -5.709 -2.404) 8.444 15.298 ( 0.667 5.586 0.459) 5.645 15.527 ( 1.233 5.708 -2.761) 6.459 15.662 ( 1.999 -4.603 -0.301) 5.028 15.849 ( 3.248 -1.961 -7.423) 8.336 16.340 ( -8.444 1.326 1.225) 8.635 16.533 ( -5.124 -3.028 -1.989) 6.275 16.595 ( -2.309 -0.800 5.474) 5.995 16.734 ( -5.555 -2.936 0.684) 6.320 18.152 ( 10.503 -1.207 0.394) 10.580 18.251 ( 6.958 -2.754 3.162) 8.124 18.435 ( 11.217 3.844 -0.174) 11.858 18.675 ( 10.792 -2.818 0.496) 11.165 27.883 ( 0.365 -0.387 0.378) 0.653 27.958 ( 1.119 -1.261 -1.304) 2.131 28.097 ( 0.949 0.320 2.044) 2.276 28.115 ( -0.438 0.135 -2.997) 3.032 29.121 ( -0.290 3.410 0.130) 3.425 29.262 ( 1.928 4.308 -1.551) 4.968 29.399 ( -2.650 -0.734 3.623) 4.549 29.616 ( 0.153 -4.886 -3.844) 6.219 30.357 ( -14.543 4.952 6.952) 16.863 30.469 ( -8.766 1.433 -0.736) 8.912 30.992 ( -1.245 14.388 2.300) 14.624 31.184 ( -11.239 3.727 -1.744) 11.969 31.604 ( -6.123 -7.048 -0.285) 9.340 32.093 ( 8.548 -15.060 4.127) 17.802 32.226 ( 13.091 19.067 -0.525) 23.134 33.442 ( 21.725 -16.039 -6.543) 27.785 ======================= Grid point 170 (88/168) ======================= q-point: ( 0.30 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 9.068 4.445 2.423) 10.386 2.591 ( 10.336 7.832 3.927) 13.550 2.633 ( 11.421 10.332 5.265) 16.276 2.893 ( -0.862 8.133 5.241) 9.714 2.963 ( 1.136 -4.489 0.715) 4.685 3.020 ( 13.275 6.364 -3.334) 15.095 3.336 ( 0.784 6.664 -8.896) 11.143 3.731 ( 6.401 5.015 -2.128) 8.406 4.048 ( 2.215 -3.981 -5.173) 6.893 4.203 ( 1.030 4.122 3.735) 5.657 4.366 ( 8.085 -1.776 -0.057) 8.278 4.397 ( 6.444 2.822 -2.803) 7.572 4.490 ( 1.377 -4.710 3.377) 5.957 4.763 ( 1.112 -5.991 -4.791) 7.751 4.892 ( 4.340 0.753 -5.592) 7.119 5.310 ( 6.786 -7.706 1.071) 10.323 5.432 ( -5.657 1.321 6.294) 8.565 5.728 ( -2.705 0.293 -4.090) 4.912 6.026 ( 0.190 1.523 2.483) 2.919 6.212 ( 3.139 1.976 5.842) 6.920 6.232 ( -5.335 7.930 -3.415) 10.150 6.385 ( -6.549 -6.259 3.991) 9.899 6.785 ( 4.304 -4.449 -2.190) 6.566 6.830 ( 2.827 -3.405 -3.669) 5.748 6.981 ( 6.176 -4.240 6.364) 9.829 7.047 ( 4.345 -0.226 3.460) 5.559 7.199 ( 4.349 9.941 -4.099) 11.600 7.533 ( 1.736 3.376 2.007) 4.294 7.806 ( -0.171 8.165 2.393) 8.510 7.960 ( 3.661 5.576 -8.376) 10.707 8.245 ( -1.449 -0.569 -5.961) 6.161 8.380 ( 1.185 5.081 3.423) 6.240 8.508 ( -1.323 -6.307 -4.358) 7.779 8.884 ( 3.411 -3.482 8.167) 9.511 9.212 ( 3.956 -1.053 -8.279) 9.236 9.486 ( 6.954 -5.628 2.693) 9.342 11.262 ( -0.880 6.126 -1.050) 6.277 11.360 ( 0.649 6.132 -5.854) 8.502 11.726 ( -3.096 -6.470 4.270) 8.347 11.923 ( -0.427 -7.303 -5.243) 9.000 13.656 ( -8.604 1.137 4.918) 9.976 13.812 ( -11.063 -1.391 1.860) 11.305 14.096 ( -8.012 3.670 0.278) 8.817 14.458 ( -5.784 -5.153 -1.636) 7.917 15.344 ( 1.897 5.288 2.923) 6.333 15.505 ( 0.454 6.303 -2.321) 6.732 15.717 ( 2.998 -4.399 2.584) 5.917 15.838 ( 4.554 -2.154 -5.202) 7.241 16.248 ( -4.534 0.471 0.421) 4.578 16.392 ( -5.799 -3.915 -4.774) 8.471 16.614 ( -5.195 -0.138 3.415) 6.218 16.692 ( -1.927 -1.409 4.931) 5.479 18.307 ( 8.468 -1.017 0.276) 8.533 18.407 ( 7.851 -2.552 2.828) 8.726 18.604 ( 9.053 3.929 0.825) 9.903 18.830 ( 7.813 -2.612 0.188) 8.240 27.902 ( 0.910 -1.563 0.832) 1.991 27.963 ( 0.500 -1.059 -0.299) 1.208 28.081 ( 0.421 0.911 -1.636) 1.919 28.148 ( 1.173 -0.884 2.863) 3.217 29.134 ( 0.343 3.791 2.015) 4.307 29.290 ( 1.736 3.075 0.656) 3.591 29.406 ( -2.171 -0.570 4.533) 5.058 29.604 ( 1.448 -4.317 -0.519) 4.583 30.225 ( -12.163 5.076 7.159) 14.999 30.328 ( -7.607 0.872 -0.950) 7.715 30.942 ( -4.936 11.301 -3.455) 12.807 31.056 ( -4.393 6.783 1.398) 8.201 31.471 ( -6.285 -6.779 -2.766) 9.649 32.180 ( 7.629 -8.483 -8.795) 14.405 32.499 ( 11.629 11.266 8.474) 18.275 33.645 ( 15.180 -14.110 -8.384) 22.357 ======================= Grid point 171 (89/168) ======================= q-point: ( 0.40 0.29 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -5.304 4.501 -1.676) 7.156 2.743 ( 1.530 8.555 -1.649) 8.846 2.804 ( 4.122 7.736 -0.585) 8.785 2.944 ( 3.887 3.493 5.897) 7.880 2.996 ( -0.883 1.271 2.868) 3.259 3.253 ( 11.829 3.776 -0.642) 12.433 3.313 ( 8.341 6.977 -1.069) 10.927 3.772 ( 2.389 4.938 -3.439) 6.474 3.969 ( -1.763 -8.178 -6.101) 10.354 4.209 ( -5.238 3.466 3.866) 7.375 4.404 ( 4.902 6.544 -6.025) 10.157 4.457 ( 3.552 -7.117 -2.202) 8.253 4.576 ( 0.948 -5.150 6.234) 8.142 4.776 ( 5.660 -0.671 -4.408) 7.205 4.950 ( 6.963 2.128 -1.007) 7.350 5.370 ( -1.390 2.683 3.226) 4.420 5.483 ( 5.113 -9.621 1.542) 11.004 5.667 ( 0.697 -0.669 -3.588) 3.715 6.058 ( 1.171 1.266 0.808) 1.904 6.164 ( -0.627 11.045 0.864) 11.097 6.287 ( -5.601 -0.739 -1.324) 5.803 6.328 ( -0.567 -3.233 8.909) 9.495 6.787 ( -0.343 -4.882 -6.278) 7.961 6.848 ( 3.547 -6.962 0.519) 7.831 7.004 ( -1.980 -1.432 -5.268) 5.807 7.226 ( 2.556 3.032 7.210) 8.229 7.261 ( 6.476 5.718 -0.135) 8.640 7.559 ( 1.238 5.537 -1.092) 5.778 7.804 ( -2.528 5.622 2.772) 6.760 7.941 ( 4.328 4.473 -5.747) 8.471 8.159 ( -1.283 -0.289 -3.211) 3.470 8.399 ( -1.725 -6.812 -9.397) 11.733 8.459 ( 3.015 5.857 3.571) 7.493 8.982 ( 0.658 0.163 2.386) 2.480 9.165 ( 0.224 -3.858 -5.753) 6.931 9.569 ( 1.480 -5.204 -0.230) 5.415 11.205 ( 0.999 5.078 -6.754) 8.509 11.340 ( -0.198 2.500 -0.514) 2.560 11.723 ( -2.387 -3.824 3.609) 5.775 11.860 ( 0.621 -6.671 -5.272) 8.526 13.615 ( -3.957 -0.507 5.784) 7.026 13.711 ( -7.627 -2.112 6.808) 10.439 14.004 ( -3.843 4.940 0.219) 6.263 14.367 ( -2.841 -4.651 -1.770) 5.730 15.404 ( 0.556 5.913 3.620) 6.955 15.502 ( 1.495 7.246 -0.752) 7.436 15.809 ( 3.661 -4.800 3.591) 7.024 15.863 ( 3.932 -2.250 -2.588) 5.217 16.197 ( -1.655 -1.329 -1.507) 2.603 16.257 ( -4.237 -3.356 -4.169) 6.826 16.559 ( -5.140 2.357 2.900) 6.355 16.735 ( -1.023 -2.211 5.199) 5.742 18.422 ( 4.755 -0.639 1.331) 4.979 18.553 ( 5.893 -2.867 3.299) 7.337 18.726 ( 4.478 3.786 1.354) 6.019 18.918 ( 3.247 -2.141 -0.173) 3.893 27.921 ( 0.028 -1.696 0.737) 1.849 27.970 ( 0.831 -0.415 0.115) 0.936 28.087 ( 0.948 -0.164 0.435) 1.056 28.196 ( 0.654 -1.810 2.656) 3.280 29.178 ( 0.878 3.868 3.936) 5.588 29.317 ( -0.809 1.748 2.502) 3.158 29.442 ( 0.195 1.369 4.641) 4.843 29.647 ( 2.439 -3.443 2.558) 4.934 30.126 ( -9.253 5.095 4.442) 11.459 30.225 ( -4.816 1.509 1.269) 5.204 30.835 ( -2.019 7.150 -4.875) 8.886 31.000 ( -4.128 5.004 0.388) 6.499 31.379 ( -0.772 -2.377 -3.507) 4.306 32.141 ( 2.907 -3.747 -12.510) 13.379 32.741 ( 5.700 5.568 9.044) 12.053 33.739 ( 9.977 -13.137 -9.663) 19.118 ======================= Grid point 172 (90/168) ======================= q-point: (-0.50 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -11.923 7.631 -1.050) 14.195 2.690 ( -8.154 13.086 -1.388) 15.481 2.787 ( 1.972 1.844 -3.109) 4.118 2.945 ( -5.962 -5.319 3.470) 8.711 3.101 ( 3.557 8.348 3.852) 9.858 3.360 ( 8.451 3.473 -3.739) 9.872 3.505 ( 5.865 3.564 5.404) 8.735 3.746 ( 2.406 5.577 -6.193) 8.674 3.873 ( -2.939 -7.021 -4.527) 8.856 4.182 ( -1.689 3.392 2.879) 4.758 4.383 ( 0.902 6.682 -7.610) 10.167 4.461 ( -1.810 -5.450 1.072) 5.842 4.680 ( 0.435 -1.660 9.911) 10.059 4.770 ( -0.030 -2.994 -5.736) 6.470 5.047 ( 3.920 3.779 0.132) 5.447 5.363 ( -3.721 1.206 1.796) 4.305 5.572 ( 4.502 -8.864 -0.682) 9.965 5.652 ( 0.874 -0.841 -1.779) 2.153 6.050 ( -3.317 1.845 1.205) 3.983 6.165 ( -6.950 -0.105 -1.454) 7.102 6.253 ( 4.695 7.186 4.596) 9.737 6.407 ( -1.566 -3.783 7.600) 8.633 6.651 ( -5.372 -4.794 -6.088) 9.429 6.822 ( -8.766 0.949 -6.256) 10.811 6.962 ( 6.320 -6.782 3.623) 9.953 7.249 ( -6.317 1.587 3.928) 7.606 7.360 ( 6.093 5.169 -0.572) 8.011 7.569 ( 2.561 4.338 -2.423) 5.590 7.789 ( -3.458 4.698 2.041) 6.180 7.961 ( 4.977 2.531 -5.984) 8.185 8.090 ( -5.146 -1.773 -2.021) 5.806 8.283 ( 2.538 -4.741 -9.114) 10.582 8.582 ( 8.969 4.289 1.795) 10.103 8.970 ( 1.063 5.996 -5.610) 8.279 9.099 ( -3.810 -7.249 0.664) 8.216 9.528 ( -3.250 -3.505 -3.983) 6.222 11.167 ( 4.229 1.982 -7.110) 8.507 11.313 ( -1.423 -1.822 -1.898) 2.991 11.742 ( -1.022 -1.209 3.696) 4.021 11.836 ( 3.245 -3.419 -3.623) 5.945 13.657 ( -0.177 -1.835 5.783) 6.070 13.730 ( -2.206 -2.769 10.334) 10.924 13.984 ( 1.914 5.405 -0.697) 5.776 14.337 ( 2.116 -4.360 -2.263) 5.348 15.444 ( -0.037 7.201 2.771) 7.716 15.530 ( 1.448 8.037 1.470) 8.297 15.867 ( 2.676 -3.280 -3.330) 5.386 15.926 ( 2.922 -3.322 4.077) 6.017 16.133 ( -1.754 -2.096 -4.008) 4.851 16.189 ( -1.409 -3.528 -0.888) 3.902 16.534 ( -3.080 3.857 4.413) 6.621 16.774 ( 0.026 -2.603 3.139) 4.077 18.483 ( -0.004 -0.313 2.434) 2.454 18.659 ( 1.763 -3.829 4.217) 5.963 18.771 ( -0.354 3.103 0.733) 3.208 18.929 ( -1.469 -1.428 -0.261) 2.065 27.922 ( -0.815 -0.459 0.831) 1.251 27.990 ( 1.429 -0.321 -0.161) 1.474 28.114 ( 0.445 -1.888 2.003) 2.788 28.226 ( 0.150 -2.446 1.528) 2.888 29.246 ( 0.751 3.407 5.093) 6.173 29.325 ( -2.095 1.420 3.356) 4.203 29.516 ( 1.910 4.160 5.092) 6.847 29.733 ( 3.227 -2.496 4.060) 5.755 30.045 ( -5.060 4.586 2.609) 7.311 30.206 ( -1.871 2.025 3.918) 4.791 30.742 ( -1.737 8.358 -7.260) 11.206 30.972 ( 0.733 -2.285 0.335) 2.423 31.353 ( 1.464 1.825 -2.254) 3.249 31.992 ( -2.076 -1.664 -14.057) 14.307 32.877 ( -1.320 3.260 8.475) 9.176 33.743 ( 5.468 -13.629 -10.840) 18.252 ======================= Grid point 173 (91/168) ======================= q-point: (-0.40 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -16.103 11.243 3.457) 19.941 2.478 ( -14.266 16.075 -2.664) 21.657 2.799 ( 0.968 -1.863 -0.816) 2.252 2.883 ( -8.062 -6.615 5.580) 11.828 3.170 ( 0.078 5.781 3.514) 6.766 3.412 ( 2.717 2.025 -3.494) 4.868 3.572 ( 0.929 4.324 -3.085) 5.392 3.712 ( -0.982 5.702 -3.921) 6.989 3.790 ( -1.417 -4.422 -1.656) 4.930 4.143 ( -6.748 7.542 -7.429) 12.554 4.298 ( -5.184 3.764 3.246) 7.182 4.392 ( -6.811 -0.816 -1.543) 7.031 4.645 ( -6.852 -4.775 -3.369) 9.006 4.804 ( -0.151 1.966 9.204) 9.413 5.010 ( -4.472 2.570 -6.267) 8.116 5.317 ( -4.684 -0.563 3.885) 6.111 5.568 ( -1.274 -2.895 -4.047) 5.136 5.657 ( 1.599 -3.967 -1.841) 4.656 6.005 ( -7.521 0.216 3.830) 8.443 6.016 ( -8.160 -2.332 -0.214) 8.490 6.266 ( -9.353 -1.845 3.105) 10.026 6.373 ( -8.397 -7.905 -0.780) 11.559 6.660 ( -1.744 7.254 1.105) 7.542 6.724 ( 12.405 1.558 3.979) 13.120 7.075 ( 1.349 1.139 0.555) 1.851 7.205 ( -4.309 -2.978 5.732) 7.764 7.420 ( 2.147 -1.189 -1.361) 2.806 7.611 ( 6.876 4.225 -0.861) 8.116 7.730 ( -5.255 2.836 -1.050) 6.063 7.868 ( -4.247 -3.756 -5.340) 7.788 8.030 ( 1.740 0.291 -5.602) 5.873 8.266 ( 3.581 -2.045 -3.025) 5.114 8.750 ( 11.684 1.749 -5.589) 13.070 8.925 ( 2.878 8.320 -4.145) 9.731 9.098 ( -2.077 -6.518 8.008) 10.532 9.392 ( -5.476 -2.714 -6.728) 9.089 11.159 ( 3.184 -0.754 -5.819) 6.676 11.275 ( 2.113 -4.081 -3.867) 6.006 11.754 ( -1.180 1.133 1.227) 2.045 11.880 ( 4.846 -1.364 -0.722) 5.086 13.712 ( -1.020 -0.901 5.373) 5.542 13.876 ( 5.659 -3.617 9.245) 11.427 14.049 ( 7.264 4.840 -1.165) 8.806 14.385 ( 7.648 -4.244 -2.757) 9.170 15.463 ( -0.449 7.225 0.960) 7.302 15.580 ( 2.018 9.745 2.270) 10.207 15.847 ( 0.620 -1.994 -3.673) 4.225 16.000 ( 2.676 -2.760 -0.487) 3.875 16.087 ( -1.103 -1.682 0.734) 2.141 16.162 ( -0.760 -4.507 -0.860) 4.651 16.566 ( -0.710 3.471 6.338) 7.261 16.812 ( 1.799 -2.570 1.082) 3.319 18.476 ( -4.871 -0.119 3.059) 5.754 18.686 ( -5.283 -3.377 4.466) 7.698 18.731 ( -4.002 0.713 -1.793) 4.443 18.879 ( -4.956 -1.507 1.214) 5.320 27.920 ( -0.625 0.642 1.073) 1.398 28.006 ( 1.086 0.157 -0.582) 1.242 28.139 ( -0.717 -3.020 2.261) 3.840 28.240 ( 0.557 -3.150 0.366) 3.220 29.285 ( -2.212 3.295 2.904) 4.918 29.357 ( -0.043 0.821 5.556) 5.617 29.621 ( 4.852 8.965 3.923) 10.923 29.826 ( 3.252 -0.241 2.999) 4.431 30.059 ( 0.076 2.368 7.357) 7.729 30.247 ( 1.488 1.496 3.576) 4.152 30.614 ( -2.821 8.830 -7.930) 12.199 31.006 ( 3.650 -5.855 -2.300) 7.273 31.375 ( 2.574 2.598 0.815) 3.747 31.769 ( -5.359 0.005 -13.533) 14.555 32.896 ( -8.009 2.154 7.898) 11.452 33.659 ( 0.361 -15.643 -12.170) 19.823 ======================= Grid point 174 (92/168) ======================= q-point: (-0.30 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -18.008 14.455 10.333) 25.298 2.187 ( -19.300 17.578 -2.247) 26.202 2.775 ( -2.939 -4.805 -1.042) 5.728 2.827 ( -8.689 -8.179 7.557) 14.124 3.178 ( -3.707 2.885 1.639) 4.976 3.333 ( -9.984 9.683 -1.092) 13.951 3.530 ( 3.015 5.375 -8.022) 10.116 3.606 ( -8.990 4.786 0.208) 10.187 3.722 ( -6.837 -1.422 -5.930) 9.162 3.877 ( -13.204 8.022 -2.744) 15.692 4.080 ( -12.726 2.236 -6.394) 14.416 4.382 ( 1.178 -3.656 1.259) 4.042 4.499 ( -11.037 -0.354 2.573) 11.339 4.809 ( -9.914 -7.149 -0.958) 12.260 4.910 ( 3.119 9.338 0.494) 9.857 5.288 ( -3.180 -4.025 0.039) 5.130 5.493 ( -4.518 3.735 1.769) 6.123 5.635 ( -1.035 -3.660 -2.842) 4.748 5.851 ( -6.954 -2.181 -2.709) 7.775 5.986 ( -8.191 -1.610 10.669) 13.547 6.132 ( -9.729 -5.296 3.329) 11.566 6.264 ( -4.593 -7.131 0.732) 8.514 6.629 ( -0.712 8.192 -1.193) 8.309 6.981 ( 6.717 8.289 0.512) 10.681 7.088 ( 3.998 1.982 2.356) 5.046 7.174 ( -7.023 -4.677 2.895) 8.921 7.411 ( 0.209 -1.162 -1.880) 2.220 7.568 ( -7.958 0.238 -2.686) 8.402 7.786 ( 2.423 -5.879 -0.138) 6.360 7.818 ( 10.496 0.439 -2.103) 10.713 8.039 ( 3.834 -0.723 1.875) 4.329 8.291 ( 2.201 -2.706 -1.492) 3.794 8.740 ( 3.148 5.063 -12.593) 13.933 9.010 ( 8.275 3.685 -2.916) 9.516 9.175 ( -4.307 -4.994 5.558) 8.624 9.257 ( -1.606 -4.751 1.795) 5.326 11.124 ( 1.201 -1.903 -5.076) 5.553 11.308 ( 5.828 -4.466 -2.150) 7.651 11.735 ( -1.336 3.336 -1.080) 3.752 11.950 ( 4.338 -1.478 -0.515) 4.612 13.758 ( 1.051 2.539 3.229) 4.240 14.096 ( 9.471 -4.489 7.091) 12.655 14.159 ( 8.129 4.281 -2.193) 9.445 14.510 ( 11.882 -4.254 -3.070) 12.989 15.456 ( -0.638 6.716 -0.248) 6.750 15.623 ( 3.653 8.606 -4.452) 10.355 15.848 ( 2.075 0.609 2.562) 3.353 15.985 ( 0.219 -2.272 -4.604) 5.139 16.094 ( -1.921 -2.666 1.784) 3.739 16.166 ( 2.348 -2.750 0.815) 3.707 16.648 ( 0.506 1.912 7.594) 7.847 16.855 ( 2.985 -2.300 -0.441) 3.793 18.402 ( -8.617 -0.206 2.942) 9.108 18.600 ( -8.282 -5.249 -1.375) 9.902 18.601 ( -10.369 2.846 1.051) 10.803 18.792 ( -9.611 -4.587 2.178) 10.870 27.929 ( 0.161 1.716 1.198) 2.099 28.010 ( 0.356 0.364 -0.909) 1.042 28.135 ( -1.940 -2.578 0.832) 3.332 28.258 ( 1.346 -4.445 0.031) 4.645 29.268 ( -2.465 3.799 1.220) 4.690 29.413 ( -1.478 -0.780 5.291) 5.549 29.737 ( 8.880 14.894 -4.976) 18.040 29.950 ( 6.880 2.757 7.888) 10.824 30.163 ( 0.486 1.422 3.221) 3.555 30.357 ( 8.225 1.170 5.477) 9.951 30.508 ( -3.049 6.630 1.354) 7.422 31.015 ( 3.951 -7.644 -6.272) 10.648 31.446 ( 2.573 0.969 3.342) 4.328 31.535 ( -5.666 2.092 -10.826) 12.397 32.814 ( -13.216 0.968 7.459) 15.206 33.456 ( -7.888 -17.847 -13.843) 23.924 ======================= Grid point 175 (93/168) ======================= q-point: (-0.20 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -23.373 15.339 11.557) 30.251 1.846 ( -18.270 19.482 6.096) 27.396 2.652 ( -12.122 -4.047 -2.352) 12.995 2.793 ( -4.208 -10.574 5.995) 12.863 3.031 ( -12.545 3.303 -4.725) 13.806 3.137 ( -17.369 20.359 7.912) 27.907 3.345 ( -14.101 5.969 -1.479) 15.384 3.516 ( -1.338 0.913 -6.555) 6.753 3.604 ( -9.129 3.519 2.784) 10.172 3.617 ( -1.886 6.405 -7.265) 9.867 3.981 ( 1.729 -4.656 -0.274) 4.974 4.315 ( -9.854 0.613 0.418) 9.882 4.440 ( -0.974 -3.325 3.468) 4.903 4.663 ( -5.744 -5.131 -0.695) 7.733 4.958 ( 2.062 4.702 -0.866) 5.207 5.224 ( -1.980 -4.107 -2.445) 5.174 5.478 ( -2.789 3.469 3.922) 5.932 5.582 ( -5.603 1.325 5.105) 7.695 5.747 ( -2.781 -1.451 -1.387) 3.430 5.961 ( -9.504 0.293 7.481) 12.099 6.073 ( -5.682 -8.031 7.813) 12.563 6.250 ( 1.584 -4.884 0.601) 5.169 6.639 ( 4.739 10.383 -0.544) 11.426 6.975 ( -1.949 5.702 -2.172) 6.405 7.112 ( -3.335 -3.315 2.642) 5.394 7.173 ( 2.744 0.876 -1.673) 3.331 7.396 ( -1.160 -1.223 -1.077) 2.001 7.447 ( -4.780 2.383 1.926) 5.678 7.736 ( -2.999 -7.348 -2.839) 8.429 8.022 ( 12.783 -1.960 -2.328) 13.140 8.125 ( 0.919 -2.644 0.983) 2.967 8.318 ( 2.748 -0.749 0.488) 2.890 8.625 ( -0.084 4.529 -9.545) 10.566 8.975 ( -0.944 1.908 -10.066) 10.288 9.176 ( 0.004 -5.231 3.416) 6.247 9.334 ( -2.398 -6.573 8.687) 11.154 11.106 ( 2.759 -0.511 -2.916) 4.047 11.390 ( 5.310 -4.965 0.379) 7.280 11.695 ( -0.991 4.595 -2.167) 5.176 11.996 ( 3.138 -2.335 -1.831) 4.319 13.829 ( 3.950 5.883 2.213) 7.423 14.239 ( 6.394 5.367 -4.066) 9.286 14.316 ( 9.049 -5.379 4.832) 11.583 14.664 ( 11.946 -4.366 -4.293) 13.423 15.444 ( -0.060 6.032 -0.751) 6.079 15.587 ( 2.412 5.301 -9.054) 10.766 15.892 ( 0.849 -1.815 -6.756) 7.047 15.983 ( 3.062 -2.713 0.474) 4.118 16.105 ( 2.289 0.402 7.106) 7.476 16.239 ( 4.498 0.216 1.626) 4.788 16.739 ( -0.016 0.254 6.766) 6.771 16.890 ( 2.390 -2.130 -1.306) 3.458 18.283 ( -9.902 -0.720 2.520) 10.243 18.400 ( -11.234 -2.620 -4.323) 12.319 18.455 ( -12.102 -0.325 3.322) 12.554 18.598 ( -16.350 -4.741 0.238) 17.025 27.951 ( 0.973 2.312 0.796) 2.631 27.996 ( -0.519 0.402 -1.174) 1.345 28.102 ( -2.080 -1.749 -0.778) 2.827 28.276 ( 1.041 -5.116 -0.610) 5.257 29.239 ( -2.081 3.837 -0.031) 4.366 29.425 ( -3.177 -1.668 3.303) 4.877 29.757 ( 6.393 14.720 -13.183) 20.769 30.078 ( -3.408 3.366 -7.192) 8.641 30.217 ( 13.351 7.628 3.647) 15.803 30.521 ( 3.754 7.436 6.901) 10.817 30.758 ( 15.430 -5.381 20.867) 26.505 31.027 ( 7.132 -8.454 -2.186) 11.274 31.358 ( -2.624 4.144 -7.479) 8.944 31.513 ( 1.038 -0.953 2.326) 2.720 32.648 ( -17.615 -0.942 5.021) 18.341 33.080 ( -19.533 -15.296 -12.395) 27.734 ======================= Grid point 176 (94/168) ======================= q-point: (-0.10 0.29 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -18.165 18.989 9.136) 27.821 1.834 ( -9.380 19.171 21.041) 29.971 2.334 ( -16.653 -3.419 -9.240) 19.349 2.801 ( -9.806 3.701 -1.302) 10.561 2.854 ( 2.617 -8.067 7.187) 11.116 2.994 ( -12.623 23.487 12.788) 29.572 3.178 ( -10.872 5.228 4.764) 12.971 3.373 ( -5.706 2.613 -5.488) 8.337 3.482 ( 3.667 7.108 -9.318) 12.280 3.677 ( 2.663 1.548 4.961) 5.839 4.045 ( 4.213 -6.350 1.839) 7.839 4.192 ( -6.924 1.087 3.090) 7.660 4.488 ( 3.145 -5.518 2.621) 6.871 4.603 ( -3.103 -2.220 0.530) 3.852 4.964 ( 1.796 2.103 -2.234) 3.555 5.185 ( -0.014 -4.842 -1.813) 5.171 5.474 ( -4.299 0.775 5.370) 6.922 5.608 ( -3.177 3.381 10.622) 11.591 5.745 ( 0.865 -2.955 3.628) 4.758 5.895 ( -5.908 0.377 5.163) 7.855 6.082 ( -4.216 -5.172 5.916) 8.918 6.307 ( 2.280 -1.793 2.499) 3.829 6.741 ( 5.202 9.204 0.342) 10.578 6.947 ( -0.360 3.484 0.560) 3.547 7.101 ( -1.903 -2.433 0.038) 3.089 7.191 ( 6.072 -0.929 -0.705) 6.183 7.320 ( -4.412 1.284 -2.621) 5.290 7.462 ( -1.375 -0.113 3.804) 4.046 7.655 ( -1.400 -5.189 -2.381) 5.879 8.038 ( -2.221 -3.098 -9.313) 10.062 8.126 ( 3.894 2.900 -4.226) 6.437 8.369 ( 0.912 0.046 0.861) 1.255 8.563 ( 1.473 1.841 -3.053) 3.858 8.864 ( -1.518 -0.963 -3.795) 4.199 9.159 ( -3.830 -2.561 -2.299) 5.149 9.350 ( -4.236 -6.926 3.895) 9.004 11.142 ( 3.794 1.350 -0.596) 4.071 11.473 ( 4.019 -3.623 0.787) 5.468 11.663 ( -0.456 3.653 -1.228) 3.881 12.010 ( 2.121 -3.316 -2.613) 4.725 13.916 ( 2.920 6.960 1.956) 7.797 14.268 ( 4.061 6.161 -5.392) 9.139 14.468 ( 3.940 -5.343 2.708) 7.170 14.764 ( 7.762 -4.696 -6.044) 10.901 15.440 ( 1.115 5.692 -1.085) 5.901 15.506 ( 0.071 4.595 -8.204) 9.403 15.808 ( 0.493 -3.451 -8.205) 8.915 15.973 ( 1.060 -4.696 -4.071) 6.304 16.320 ( 5.360 1.108 4.838) 7.305 16.365 ( 11.349 -0.143 6.198) 12.931 16.789 ( -1.966 -0.866 4.498) 4.985 16.885 ( -1.045 -2.402 -2.207) 3.425 18.120 ( -16.451 -1.588 -0.970) 16.556 18.176 ( -10.034 -1.111 2.886) 10.499 18.307 ( -11.140 0.171 3.139) 11.575 18.380 ( -5.809 -1.240 -1.966) 6.257 27.954 ( -0.772 1.387 -1.629) 2.275 27.984 ( 0.493 1.223 0.002) 1.319 28.060 ( -1.305 -0.859 -1.506) 2.170 28.270 ( -0.012 -4.623 -1.956) 5.020 29.203 ( -1.595 3.430 -0.987) 3.909 29.396 ( -3.669 -1.308 1.255) 4.093 29.633 ( 0.876 13.028 -16.574) 21.099 29.937 ( -2.390 0.059 -8.564) 8.892 30.398 ( 5.619 9.235 2.090) 11.011 30.708 ( 4.629 10.195 9.807) 14.885 31.028 ( 8.408 -10.456 -1.220) 13.472 31.238 ( 0.792 -0.054 1.271) 1.499 31.510 ( 9.161 -1.913 -0.077) 9.359 31.579 ( 23.200 -7.030 17.049) 29.637 32.289 ( -28.676 0.800 -4.589) 29.052 32.698 ( -16.028 -7.037 1.551) 17.573 ======================= Grid point 177 (95/168) ======================= q-point: ( 0.00 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 2.495 12.852 2.381) 13.307 1.972 ( -0.952 -5.065 -4.779) 7.028 2.353 ( -3.345 14.834 15.543) 21.745 2.612 ( -4.989 -9.574 8.507) 13.745 2.987 ( 7.030 -0.546 5.668) 9.047 3.022 ( 6.488 -3.578 2.267) 7.748 3.370 ( 2.864 7.747 -5.193) 9.756 3.493 ( -0.859 0.996 -1.749) 2.188 3.599 ( 1.607 13.020 -0.309) 13.122 3.852 ( 0.861 -9.192 4.005) 10.064 4.012 ( 2.600 10.131 5.572) 11.851 4.195 ( 0.706 -3.455 4.663) 5.846 4.517 ( 0.844 0.590 4.834) 4.942 4.552 ( -1.031 -2.520 5.271) 5.933 4.982 ( 1.196 0.049 -2.887) 3.125 5.019 ( 0.986 -4.966 -5.282) 7.317 5.546 ( -6.284 6.338 10.071) 13.457 5.689 ( -3.965 -6.255 8.142) 11.006 5.789 ( 0.783 3.259 11.307) 11.793 5.885 ( 0.103 -4.919 9.144) 10.384 6.083 ( -2.389 4.204 4.241) 6.432 6.223 ( -2.402 -8.177 3.864) 9.357 6.921 ( -1.677 4.436 0.271) 4.750 6.955 ( -2.751 0.419 -2.907) 4.025 7.118 ( -1.297 4.739 -3.400) 5.975 7.217 ( -1.373 -0.599 -10.788) 10.892 7.324 ( 4.319 -0.093 7.144) 8.348 7.399 ( 10.448 -1.575 2.298) 10.813 7.752 ( 1.853 4.067 -1.715) 4.787 7.853 ( 2.807 -5.794 -6.153) 8.905 8.201 ( -1.097 5.014 -1.266) 5.286 8.293 ( -1.305 -3.788 -1.396) 4.243 8.592 ( 0.750 3.325 -3.707) 5.035 8.706 ( -1.992 -6.971 -2.740) 7.750 9.111 ( -0.195 4.726 -3.262) 5.746 9.212 ( -0.101 -4.830 -1.457) 5.047 11.282 ( 2.007 5.376 3.109) 6.527 11.416 ( 1.462 -7.191 4.006) 8.360 11.766 ( 1.541 7.261 -4.505) 8.683 11.905 ( 2.049 -5.932 -4.299) 7.607 14.094 ( -3.273 8.031 0.856) 8.715 14.250 ( -3.016 -5.767 -1.472) 6.672 14.492 ( -0.160 5.650 -2.964) 6.382 14.636 ( 0.683 -7.038 -5.354) 8.869 15.501 ( 0.213 3.950 -6.325) 7.460 15.552 ( 2.013 0.803 -3.529) 4.142 15.698 ( 1.105 2.912 -5.489) 6.311 15.824 ( 1.791 -6.933 -4.251) 8.327 16.476 ( 3.954 2.783 2.877) 5.626 16.523 ( 4.220 -1.738 2.647) 5.276 16.745 ( -5.456 -1.263 1.048) 5.697 16.752 ( -6.030 -1.840 -0.793) 6.354 17.984 ( -6.306 3.199 3.752) 8.005 18.047 ( -5.615 -2.846 3.938) 7.426 18.269 ( 1.620 2.339 -0.695) 2.929 18.319 ( 3.484 -2.461 -0.503) 4.295 27.943 ( -1.035 1.202 -1.778) 2.383 27.965 ( -0.452 -1.010 -2.096) 2.370 28.080 ( 0.441 2.901 -0.114) 2.937 28.155 ( -0.062 -3.933 -1.593) 4.244 29.240 ( -2.088 3.764 -0.058) 4.305 29.314 ( -2.615 -2.968 0.899) 4.057 29.630 ( -2.807 6.524 -12.518) 14.393 29.737 ( -3.175 -3.839 -10.963) 12.042 30.670 ( 0.359 8.926 1.735) 9.100 30.820 ( -5.738 -3.824 -0.474) 6.912 31.086 ( 0.329 4.867 5.266) 7.179 31.229 ( 1.774 -7.262 3.122) 8.101 31.636 ( 6.105 7.484 5.466) 11.098 31.818 ( 2.774 -8.947 10.435) 14.023 32.182 ( 0.961 10.539 -0.480) 10.594 32.424 ( 4.969 -11.946 0.498) 12.948 ======================= Grid point 178 (96/168) ======================= q-point: ( 0.10 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 17.842 6.651 1.539) 19.104 2.038 ( 14.760 0.988 -2.093) 14.941 2.485 ( -1.103 10.151 13.368) 16.821 2.655 ( -1.505 -6.498 7.772) 10.242 3.056 ( 2.439 7.399 -0.915) 7.844 3.211 ( 7.563 -6.200 -0.609) 9.798 3.382 ( 2.701 9.803 -2.580) 10.491 3.560 ( 8.567 -4.774 -1.218) 9.882 3.715 ( 14.802 9.178 0.617) 17.427 3.920 ( 5.679 -10.898 0.855) 12.318 4.126 ( 2.992 10.472 4.802) 11.902 4.249 ( 2.157 -1.561 0.968) 2.833 4.542 ( -3.290 3.963 4.860) 7.081 4.646 ( 1.328 -6.768 6.778) 9.670 4.972 ( 1.395 -0.787 -2.950) 3.357 4.984 ( 2.050 -2.389 -4.211) 5.258 5.567 ( -6.027 6.522 10.601) 13.829 5.713 ( -4.359 -6.710 8.410) 11.608 5.956 ( 2.553 1.427 11.495) 11.861 6.004 ( 0.830 -2.741 5.104) 5.853 6.117 ( 1.267 3.614 7.465) 8.390 6.250 ( 0.034 -8.083 5.822) 9.962 6.835 ( -3.486 3.555 -5.047) 7.090 6.881 ( -5.520 1.059 -0.162) 5.623 7.009 ( -1.205 3.100 -8.981) 9.577 7.115 ( -1.577 -3.490 -7.254) 8.203 7.445 ( -0.141 6.088 1.565) 6.288 7.511 ( -1.833 -0.186 2.940) 3.470 7.761 ( 5.282 5.410 -0.024) 7.561 7.900 ( 11.223 -5.918 -4.925) 13.610 8.198 ( 2.337 4.676 1.257) 5.376 8.293 ( 3.245 -4.258 -0.562) 5.383 8.578 ( 2.027 -0.193 -2.905) 3.548 8.631 ( -1.842 -4.490 -4.844) 6.857 9.118 ( 4.175 4.144 -0.895) 5.950 9.212 ( 3.798 -4.136 -3.367) 6.547 11.338 ( 0.642 5.736 2.926) 6.471 11.475 ( 0.494 -7.194 3.518) 8.023 11.730 ( 0.330 7.834 -4.642) 9.112 11.883 ( 1.262 -6.665 -4.471) 8.125 14.001 ( -9.593 6.739 1.282) 11.794 14.132 ( -9.766 -5.010 -0.990) 11.020 14.424 ( -4.042 5.167 -2.514) 7.025 14.555 ( -3.426 -6.700 -4.093) 8.566 15.441 ( -0.249 5.652 -3.399) 6.600 15.546 ( 1.857 -3.820 -2.696) 5.031 15.668 ( 1.945 5.686 -4.392) 7.443 15.802 ( 2.515 -6.097 -5.757) 8.754 16.511 ( -7.013 2.155 0.644) 7.365 16.538 ( -1.581 0.838 3.244) 3.704 16.634 ( -6.169 -0.623 -0.703) 6.240 16.692 ( -2.834 -4.831 1.566) 5.815 18.014 ( 4.382 2.404 3.017) 5.839 18.071 ( 2.961 -2.927 3.317) 5.323 18.353 ( 9.071 3.679 -0.410) 9.798 18.430 ( 9.767 -3.592 0.231) 10.409 27.910 ( -0.783 1.357 -1.218) 1.985 27.939 ( -0.038 -1.325 -1.735) 2.183 28.088 ( 0.600 1.804 0.087) 1.903 28.132 ( -0.184 -2.215 -1.796) 2.857 29.214 ( -1.523 4.083 0.507) 4.387 29.291 ( -1.734 -2.717 1.194) 3.437 29.483 ( -1.604 5.223 -6.737) 8.674 29.590 ( -1.824 -4.828 -7.324) 8.960 30.607 ( -10.055 4.670 1.711) 11.218 30.661 ( -11.481 -0.294 -0.362) 11.491 31.158 ( 4.006 8.682 3.333) 10.126 31.368 ( 8.685 -10.889 2.376) 14.129 31.579 ( -15.277 10.445 3.275) 18.793 31.803 ( -11.560 -10.016 5.967) 16.418 32.358 ( 18.556 16.726 -0.530) 24.988 32.726 ( 24.954 -18.000 -0.518) 30.773 ======================= Grid point 179 (97/168) ======================= q-point: ( 0.20 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 19.517 5.684 3.222) 20.582 2.369 ( 21.690 0.177 4.355) 22.124 2.611 ( 1.532 6.600 7.388) 10.024 2.736 ( 1.506 -5.358 5.675) 7.949 3.090 ( 4.736 11.588 -2.232) 12.715 3.218 ( 0.781 2.406 -6.146) 6.646 3.421 ( 4.305 4.941 -1.981) 6.846 3.622 ( 6.881 -9.900 -7.090) 13.987 3.973 ( 9.990 -0.325 -0.741) 10.023 4.033 ( 5.949 -7.195 -0.400) 9.344 4.216 ( 6.203 9.682 2.561) 11.780 4.350 ( 10.499 -0.898 0.426) 10.546 4.539 ( -3.484 6.449 4.463) 8.581 4.686 ( -2.999 -6.710 2.775) 7.856 4.968 ( 1.664 1.696 -3.910) 4.575 5.001 ( 6.574 -3.946 -2.539) 8.077 5.580 ( -7.722 6.606 9.517) 13.923 5.731 ( -6.161 -7.032 7.311) 11.868 6.024 ( 0.643 3.296 1.083) 3.528 6.093 ( 2.616 -2.954 3.710) 5.416 6.285 ( 3.219 2.249 11.224) 11.891 6.376 ( 3.617 -4.305 6.957) 8.945 6.720 ( -5.275 1.803 -1.034) 5.669 6.791 ( -4.384 -3.394 -1.746) 5.812 6.878 ( -0.454 4.932 -7.885) 9.312 7.000 ( 0.220 -4.510 -6.873) 8.224 7.412 ( -0.778 7.341 -1.810) 7.600 7.499 ( 0.352 -1.162 1.211) 1.715 7.896 ( 7.358 7.609 0.802) 10.615 8.011 ( 8.373 -2.438 -5.311) 10.211 8.285 ( 3.273 3.672 1.263) 5.078 8.351 ( 4.108 -3.131 -1.086) 5.278 8.550 ( -1.708 0.831 -3.254) 3.768 8.618 ( 4.504 -5.495 2.643) 7.580 9.192 ( 5.847 1.373 -2.324) 6.440 9.258 ( 6.560 -3.686 -2.432) 7.907 11.373 ( -0.137 6.128 2.704) 6.699 11.508 ( -0.033 -5.878 0.883) 5.944 11.669 ( -1.561 7.197 -3.459) 8.136 11.835 ( -0.356 -7.683 -5.316) 9.350 13.844 ( -12.581 4.698 2.974) 13.755 13.941 ( -13.569 -4.249 1.157) 14.266 14.317 ( -6.032 5.608 -1.854) 8.442 14.447 ( -5.383 -6.467 -2.352) 8.737 15.426 ( 0.910 6.417 0.162) 6.483 15.554 ( 1.336 -5.702 -0.036) 5.856 15.655 ( 2.479 6.273 -3.949) 7.816 15.775 ( 3.097 -4.952 -6.173) 8.498 16.384 ( -7.780 2.841 -0.500) 8.298 16.455 ( -7.180 -3.878 -2.232) 8.461 16.610 ( -2.077 1.904 4.865) 5.622 16.666 ( -3.412 -3.296 2.402) 5.317 18.154 ( 8.994 1.239 1.556) 9.211 18.195 ( 7.779 -2.479 2.480) 8.533 18.518 ( 11.004 4.168 0.360) 11.772 18.604 ( 10.820 -3.923 0.584) 11.524 27.893 ( -0.218 1.206 -0.292) 1.260 27.926 ( 0.211 -1.749 -0.707) 1.898 28.103 ( 0.803 0.395 0.607) 1.082 28.112 ( 0.129 -0.359 -1.450) 1.499 29.206 ( -1.233 4.447 2.015) 5.035 29.287 ( -1.324 -2.538 2.319) 3.684 29.422 ( -0.050 3.699 -1.940) 4.177 29.515 ( 0.116 -4.770 -3.368) 5.840 30.447 ( -12.005 3.236 2.742) 12.733 30.484 ( -10.447 -0.353 0.188) 10.455 31.250 ( -1.383 8.875 2.459) 9.312 31.364 ( -10.945 12.876 1.243) 16.945 31.442 ( -2.677 -6.064 -1.241) 6.744 31.737 ( 2.591 -18.012 0.619) 18.208 32.653 ( 17.951 20.869 -0.729) 27.537 33.073 ( 20.566 -19.218 -2.964) 28.303 ======================= Grid point 180 (98/168) ======================= q-point: ( 0.30 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.639 5.604 4.034) 8.319 2.690 ( 7.784 -1.713 7.151) 10.708 2.778 ( 16.030 3.633 2.269) 16.592 2.818 ( 5.335 -1.760 0.365) 5.630 3.130 ( 1.451 9.542 -3.232) 10.178 3.181 ( 5.339 4.920 -3.317) 7.982 3.446 ( 3.382 5.682 -3.463) 7.464 3.656 ( 6.090 -12.474 -5.074) 14.779 3.985 ( 0.455 0.912 -5.428) 5.523 4.076 ( 3.038 -8.906 -3.022) 9.883 4.366 ( 3.254 6.467 4.781) 8.676 4.486 ( 0.020 -1.077 2.841) 3.038 4.571 ( 4.986 6.747 0.244) 8.393 4.679 ( 4.383 -4.086 -3.615) 6.998 4.969 ( 5.167 5.655 -3.138) 8.278 5.108 ( 8.989 -8.366 -1.032) 12.323 5.535 ( -9.285 6.235 7.090) 13.242 5.672 ( -8.005 -5.724 3.606) 10.481 6.061 ( 0.904 3.566 2.214) 4.294 6.158 ( 2.405 -4.712 1.444) 5.484 6.364 ( -1.496 5.853 -0.836) 6.099 6.439 ( -0.264 2.998 4.023) 5.025 6.676 ( -2.519 -3.234 -0.997) 4.219 6.730 ( 0.216 -5.384 -0.019) 5.389 6.941 ( 7.553 1.248 3.989) 8.632 7.002 ( 5.316 -3.482 0.835) 6.410 7.417 ( 4.617 9.310 -3.016) 10.821 7.544 ( 3.509 -2.539 0.372) 4.347 7.968 ( 2.313 5.758 -2.066) 6.540 8.025 ( 4.055 0.180 -8.513) 9.431 8.258 ( -1.443 2.895 -5.408) 6.301 8.361 ( -1.340 -5.975 -3.964) 7.295 8.550 ( 2.044 9.291 3.314) 10.074 8.756 ( 4.414 -9.134 5.968) 11.770 9.228 ( 4.804 3.725 -5.541) 8.225 9.350 ( 5.905 -7.002 -0.322) 9.165 11.390 ( -1.174 5.762 0.983) 5.962 11.464 ( -1.583 1.121 -6.142) 6.441 11.638 ( -1.115 0.706 2.445) 2.779 11.759 ( -0.898 -8.028 -5.051) 9.527 13.697 ( -11.193 2.688 5.143) 12.608 13.760 ( -12.535 -3.125 4.361) 13.636 14.204 ( -5.615 6.215 -1.163) 8.456 14.337 ( -5.303 -6.326 -1.532) 8.396 15.470 ( 1.798 6.459 3.148) 7.407 15.593 ( 1.862 -3.790 2.426) 4.870 15.657 ( 2.700 4.318 -2.624) 5.728 15.767 ( 3.925 -4.646 -4.678) 7.673 16.267 ( -5.061 1.535 -1.935) 5.631 16.316 ( -5.736 -3.139 -3.631) 7.479 16.624 ( -3.446 1.076 4.267) 5.589 16.656 ( -2.412 -1.833 4.671) 5.568 18.310 ( 8.313 1.232 1.147) 8.482 18.352 ( 8.084 -2.533 2.139) 8.737 18.686 ( 8.588 3.929 1.033) 9.500 18.764 ( 8.059 -3.561 0.750) 8.843 27.895 ( 0.196 0.837 0.621) 1.061 27.928 ( 0.218 -1.979 0.400) 2.030 28.104 ( 0.470 1.142 -0.746) 1.443 28.127 ( 0.920 -1.071 1.033) 1.750 29.222 ( -1.128 4.361 3.952) 5.993 29.299 ( -1.843 -2.477 3.911) 4.983 29.431 ( 1.570 3.259 1.092) 3.778 29.513 ( 1.638 -4.310 0.445) 4.632 30.312 ( -9.501 2.834 3.555) 10.533 30.340 ( -8.330 -0.069 0.762) 8.365 31.094 ( -10.204 6.567 -2.851) 12.465 31.222 ( -11.197 -2.345 -1.492) 11.537 31.450 ( 5.501 12.969 -1.345) 14.151 31.830 ( 7.298 -19.737 -2.570) 21.200 32.889 ( 12.897 20.814 -1.044) 24.508 33.303 ( 14.387 -18.554 -4.961) 23.997 ======================= Grid point 181 (99/168) ======================= q-point: ( 0.40 0.43 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -4.058 7.212 0.136) 8.276 2.760 ( -3.701 -8.361 2.228) 9.411 2.939 ( 6.386 5.741 -2.472) 8.936 2.956 ( 2.412 4.399 -0.399) 5.033 3.157 ( 6.951 7.443 -0.464) 10.195 3.279 ( 9.182 -2.651 -2.300) 9.830 3.477 ( 3.787 8.185 -0.137) 9.020 3.680 ( 1.222 -11.612 -1.018) 11.721 3.940 ( 2.836 5.197 -5.377) 7.998 4.090 ( 4.359 -10.046 -3.689) 11.555 4.435 ( -2.077 3.561 7.718) 8.750 4.462 ( -4.274 2.162 1.934) 5.165 4.630 ( 3.209 3.860 -1.416) 5.215 4.716 ( 5.572 -4.834 -6.162) 9.611 5.068 ( 8.600 7.653 -0.421) 11.519 5.244 ( 8.286 -9.363 -0.039) 12.503 5.485 ( -6.192 5.362 6.549) 10.487 5.609 ( -5.077 -5.108 4.465) 8.474 6.084 ( -0.399 3.214 0.418) 3.265 6.182 ( -0.806 -5.151 -0.421) 5.230 6.360 ( 1.828 8.787 1.223) 9.058 6.454 ( -2.612 4.274 2.045) 5.411 6.657 ( 0.064 -4.591 0.240) 4.598 6.708 ( -0.594 -6.025 -1.865) 6.335 7.024 ( 0.565 3.649 -1.830) 4.122 7.139 ( 2.638 -6.241 4.342) 8.047 7.481 ( 6.481 9.578 -1.760) 11.698 7.604 ( 3.525 -1.667 -0.581) 3.943 7.934 ( -0.054 5.156 -3.831) 6.424 7.987 ( 3.721 -0.115 -7.096) 8.013 8.165 ( -1.265 1.773 -6.524) 6.878 8.255 ( -3.012 -6.296 -7.202) 10.029 8.625 ( 2.136 10.083 2.959) 10.723 8.852 ( 0.263 -10.681 3.957) 11.394 9.224 ( 3.022 7.885 -5.765) 10.224 9.413 ( 2.813 -9.189 -1.363) 9.706 11.317 ( -2.200 4.832 -7.353) 9.069 11.372 ( -2.529 -0.104 -4.662) 5.305 11.672 ( 0.559 -0.380 3.871) 3.930 11.726 ( 1.830 -5.317 -1.207) 5.751 13.624 ( -6.631 1.250 6.989) 9.715 13.662 ( -8.177 -2.311 7.513) 11.342 14.124 ( -2.613 6.330 -0.970) 6.916 14.255 ( -2.520 -6.022 -1.526) 6.704 15.543 ( 1.628 7.100 4.323) 8.470 15.651 ( 2.136 5.191 0.971) 5.697 15.695 ( 3.089 -4.483 1.957) 5.785 15.789 ( 3.560 -4.967 -2.005) 6.432 16.179 ( -2.639 -0.176 -3.025) 4.019 16.198 ( -3.783 -2.027 -3.513) 5.546 16.615 ( -3.068 3.039 3.815) 5.762 16.680 ( -1.697 -3.014 4.577) 5.737 18.434 ( 5.054 1.704 1.687) 5.593 18.487 ( 5.426 -3.137 2.407) 6.714 18.801 ( 3.938 3.401 1.345) 5.374 18.866 ( 3.466 -2.860 0.807) 4.566 27.910 ( 0.211 0.685 1.222) 1.417 27.941 ( 0.363 -1.953 1.148) 2.294 28.107 ( 0.501 1.854 -0.143) 1.926 28.152 ( 0.646 -2.259 0.988) 2.549 29.259 ( -1.109 3.577 5.466) 6.626 29.316 ( -2.412 -1.711 4.959) 5.774 29.492 ( 2.722 3.404 3.541) 5.615 29.571 ( 2.499 -3.876 3.668) 5.893 30.219 ( -7.012 3.149 2.510) 8.086 30.247 ( -5.358 0.229 2.455) 5.898 30.937 ( -3.953 4.669 -4.388) 7.529 31.037 ( -6.443 -3.571 -5.097) 8.958 31.504 ( 3.014 14.769 -1.680) 15.167 31.869 ( 3.295 -18.005 -5.679) 19.164 33.035 ( 7.002 18.450 -0.874) 19.753 33.417 ( 8.412 -17.449 -6.323) 20.377 ======================= Grid point 182 (100/168) ======================= q-point: (-0.50 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -8.522 9.374 0.318) 12.673 2.695 ( -6.241 -9.937 1.459) 11.825 2.908 ( -5.080 6.849 -1.745) 8.704 2.932 ( -2.810 3.588 -2.143) 5.036 3.255 ( 4.734 5.436 -1.090) 7.291 3.361 ( 8.383 -4.353 -7.684) 12.176 3.545 ( 2.591 3.494 1.050) 4.475 3.673 ( -0.622 -8.237 -0.700) 8.290 3.964 ( 4.480 10.126 -1.413) 11.163 4.142 ( 4.986 -7.246 -0.245) 8.799 4.417 ( -2.097 5.082 -1.652) 5.740 4.497 ( -1.441 -0.156 5.982) 6.156 4.649 ( -2.276 -0.741 2.105) 3.188 4.699 ( -1.316 -3.451 -0.243) 3.701 5.179 ( 5.134 7.548 -1.610) 9.269 5.329 ( 2.057 -5.832 -1.378) 6.336 5.494 ( -2.739 3.162 6.965) 8.125 5.607 ( -3.324 -4.738 5.985) 8.325 6.044 ( -4.498 1.846 -1.167) 5.000 6.119 ( -5.175 -3.466 -2.870) 6.858 6.389 ( -6.454 1.474 0.550) 6.643 6.409 ( -3.245 1.562 0.830) 3.696 6.622 ( 1.975 4.713 1.053) 5.217 6.785 ( 7.197 -8.698 4.640) 12.206 6.941 ( -5.145 8.915 -3.086) 10.746 7.146 ( -4.384 -9.100 1.445) 10.204 7.529 ( 1.974 7.798 -3.433) 8.746 7.625 ( 2.030 -0.550 -2.754) 3.466 7.910 ( -1.176 6.504 -1.248) 6.726 8.004 ( 7.019 1.434 -6.821) 9.892 8.041 ( -5.896 -1.667 -6.674) 9.060 8.148 ( 5.116 -7.550 -10.665) 14.033 8.697 ( 3.230 7.208 3.316) 8.567 8.877 ( -1.383 -9.455 3.894) 10.319 9.191 ( 1.131 10.352 -5.668) 11.856 9.399 ( -0.744 -8.695 -4.169) 9.671 11.213 ( 0.640 2.484 -7.796) 8.208 11.267 ( -2.001 -2.522 -6.086) 6.885 11.737 ( 1.829 0.761 3.410) 3.944 11.772 ( 3.830 -2.490 0.505) 4.596 13.644 ( -1.951 0.600 7.843) 8.104 13.676 ( -2.353 -2.248 9.404) 9.951 14.106 ( 2.243 6.146 -1.450) 6.702 14.231 ( 2.236 -5.700 -1.988) 6.437 15.606 ( 1.025 7.986 2.352) 8.388 15.700 ( 2.178 7.799 2.533) 8.484 15.762 ( 2.297 -6.529 0.127) 6.922 15.840 ( 2.939 -5.349 2.583) 6.627 16.105 ( -1.936 -0.371 -3.187) 3.747 16.124 ( -2.044 -2.238 -1.859) 3.556 16.620 ( -1.487 4.321 3.441) 5.720 16.707 ( -0.399 -3.834 3.117) 4.958 18.503 ( 0.417 2.208 2.454) 3.327 18.571 ( 1.058 -4.129 2.860) 5.133 18.836 ( -1.345 2.951 1.187) 3.453 18.890 ( -1.525 -2.240 0.825) 2.832 27.928 ( 0.101 1.187 1.512) 1.925 27.965 ( 0.749 -1.986 1.347) 2.514 28.113 ( 0.122 1.756 0.192) 1.770 28.167 ( 0.207 -3.006 0.371) 3.036 29.308 ( -1.295 2.247 6.048) 6.581 29.335 ( -2.508 -0.400 5.126) 5.720 29.597 ( 3.913 3.823 5.766) 7.948 29.674 ( 3.698 -3.355 5.704) 7.581 30.154 ( -3.974 4.941 1.757) 6.580 30.220 ( -2.563 -1.080 3.230) 4.262 30.857 ( 0.274 3.309 -6.337) 7.154 30.919 ( -0.431 -2.921 -5.307) 6.073 31.507 ( 0.270 12.619 -1.840) 12.755 31.806 ( -1.113 -14.007 -7.781) 16.062 33.088 ( 0.561 15.015 -0.456) 15.032 33.426 ( 2.489 -16.423 -7.208) 18.107 ======================= Grid point 183 (101/168) ======================= q-point: (-0.40 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -11.256 12.634 3.292) 17.238 2.611 ( -7.728 -11.882 3.522) 14.605 2.754 ( -10.738 8.455 -2.906) 13.973 2.842 ( -7.251 -0.324 0.388) 7.269 3.280 ( 0.918 4.320 -1.992) 4.845 3.378 ( 4.786 -4.878 -7.701) 10.296 3.568 ( 2.396 1.816 -3.081) 4.305 3.659 ( 1.380 -6.236 -2.333) 6.799 4.002 ( -1.032 14.020 1.251) 14.113 4.221 ( 2.206 -6.903 1.976) 7.512 4.307 ( -6.818 7.197 -6.897) 12.078 4.425 ( -8.810 -2.663 -6.263) 11.132 4.602 ( -7.226 3.147 6.700) 10.345 4.730 ( -6.465 -6.918 11.192) 14.660 5.150 ( -1.993 8.276 -6.032) 10.433 5.289 ( -2.132 -3.764 -3.852) 5.793 5.527 ( -3.899 2.605 7.043) 8.461 5.634 ( -2.972 -3.419 6.943) 8.290 5.908 ( -10.558 -2.129 -1.110) 10.828 5.954 ( -10.909 -3.666 -1.163) 11.567 6.256 ( -8.752 0.557 -0.869) 8.813 6.294 ( -7.299 -2.520 0.205) 7.725 6.837 ( 7.280 8.870 4.729) 12.411 6.857 ( 4.150 10.175 2.884) 11.361 7.003 ( 10.570 -6.626 6.227) 13.943 7.080 ( -5.001 -9.517 1.113) 10.809 7.474 ( -2.257 6.274 -4.623) 8.114 7.618 ( 0.264 -5.705 -2.214) 6.126 7.817 ( -4.406 5.725 -7.349) 10.305 7.852 ( -1.815 1.733 -8.709) 9.063 8.032 ( 4.125 1.353 -5.285) 6.840 8.153 ( 6.231 -8.106 -6.930) 12.352 8.811 ( 4.639 4.662 4.501) 7.970 8.936 ( 0.671 -6.634 7.314) 9.897 9.133 ( 0.144 8.838 -5.371) 10.343 9.298 ( -3.123 -6.402 -7.483) 10.331 11.155 ( 1.718 0.652 -6.425) 6.682 11.195 ( 1.717 -3.189 -5.202) 6.338 11.795 ( 2.014 2.439 1.036) 3.329 11.844 ( 4.255 -2.119 0.288) 4.762 13.728 ( 1.188 2.279 7.427) 7.859 13.795 ( 3.689 -3.863 8.741) 10.244 14.163 ( 7.244 5.835 -1.953) 9.504 14.283 ( 7.462 -5.497 -2.438) 9.584 15.624 ( 0.008 7.824 -0.383) 7.833 15.755 ( 2.573 -0.044 -4.630) 5.297 15.790 ( 1.172 3.133 5.535) 6.468 15.924 ( 3.606 -5.086 1.252) 6.359 16.057 ( -1.738 -0.665 0.599) 1.955 16.077 ( -2.168 -2.815 -0.370) 3.572 16.651 ( 0.433 4.492 3.384) 5.640 16.742 ( 1.413 -4.071 1.776) 4.661 18.500 ( -4.634 2.455 2.722) 5.909 18.577 ( -4.218 -4.924 2.352) 6.897 18.786 ( -6.463 2.837 1.053) 7.137 18.840 ( -6.224 -2.257 1.156) 6.721 27.949 ( 0.318 1.965 1.576) 2.539 27.992 ( 0.884 -1.760 0.923) 2.175 28.114 ( -0.406 1.108 0.332) 1.226 28.168 ( 0.061 -3.470 -0.399) 3.494 29.340 ( -2.635 1.858 4.453) 5.498 29.362 ( -1.774 -0.367 5.455) 5.748 29.760 ( 7.519 4.578 7.578) 11.616 29.821 ( 6.345 -1.268 6.125) 8.910 30.141 ( -0.957 5.262 3.104) 6.183 30.235 ( 0.512 -2.808 2.054) 3.517 30.773 ( 0.062 6.169 -8.491) 10.496 30.887 ( 2.499 -5.384 -5.311) 7.965 31.487 ( -0.483 8.103 -0.607) 8.140 31.674 ( -3.522 -8.319 -7.683) 11.859 33.041 ( -6.145 11.390 0.093) 12.942 33.330 ( -3.923 -15.502 -7.647) 17.725 ======================= Grid point 184 (102/168) ======================= q-point: (-0.30 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -12.372 15.717 7.067) 21.214 2.503 ( -16.362 12.055 -3.315) 20.592 2.542 ( -7.695 -14.192 5.990) 17.219 2.703 ( -11.857 -6.512 1.102) 13.572 3.235 ( -3.119 3.482 -3.519) 5.851 3.329 ( -0.967 -4.688 -6.566) 8.126 3.575 ( 4.048 3.074 -4.079) 6.517 3.657 ( 1.650 -4.067 -3.341) 5.516 3.926 ( -11.080 11.710 1.914) 16.234 4.021 ( -17.621 2.946 -5.000) 18.552 4.130 ( -10.017 6.206 -7.651) 14.049 4.294 ( -0.076 -5.577 -0.457) 5.596 4.535 ( -12.181 3.845 7.434) 14.779 4.656 ( -13.027 -7.214 4.924) 15.684 5.086 ( 0.852 6.999 -2.867) 7.611 5.204 ( -1.622 -4.465 -4.459) 6.515 5.532 ( -4.504 3.103 5.287) 7.607 5.654 ( -4.239 -1.945 5.858) 7.488 5.735 ( -9.734 -2.276 1.958) 10.187 5.838 ( -8.808 -6.987 9.557) 14.756 6.131 ( -7.067 2.809 0.912) 7.659 6.200 ( -4.158 -2.731 -0.022) 4.974 6.813 ( -0.655 9.915 -0.748) 9.964 7.017 ( -3.349 -8.987 -0.517) 9.604 7.145 ( 7.641 4.209 4.845) 9.978 7.188 ( 6.458 4.517 3.814) 8.756 7.374 ( -3.621 2.429 -4.330) 6.145 7.552 ( -1.384 -8.148 -4.540) 9.430 7.700 ( -1.834 4.491 -4.570) 6.665 7.816 ( 7.568 -3.248 -6.503) 10.494 8.056 ( 3.782 3.177 0.568) 4.972 8.173 ( 4.396 -7.255 -2.499) 8.843 8.870 ( -1.229 7.354 -2.645) 7.911 9.020 ( -0.654 -5.758 4.223) 7.171 9.110 ( 0.951 2.075 -2.664) 3.508 9.175 ( -0.398 -3.416 -1.771) 3.869 11.122 ( 2.296 1.878 -4.106) 5.065 11.199 ( 4.026 -5.128 -2.570) 7.008 11.821 ( 1.650 4.426 -1.489) 4.953 11.902 ( 3.625 -3.145 -1.283) 4.968 13.846 ( 4.319 5.540 5.207) 8.744 13.973 ( 7.249 -6.399 6.315) 11.549 14.277 ( 9.695 6.227 -2.283) 11.747 14.404 ( 11.046 -5.778 -2.569) 12.728 15.607 ( -0.286 7.170 -1.904) 7.424 15.712 ( 1.020 -1.379 -6.524) 6.746 15.881 ( 3.522 2.830 1.178) 4.670 15.936 ( 0.879 -2.288 -5.208) 5.756 16.054 ( -1.589 0.103 4.163) 4.457 16.102 ( 1.980 -3.394 5.562) 6.810 16.707 ( 1.315 3.677 3.687) 5.371 16.789 ( 2.327 -3.842 0.963) 4.594 18.420 ( -8.797 2.044 2.173) 9.289 18.489 ( -8.805 -4.596 0.497) 9.945 18.662 ( -10.993 2.820 1.604) 11.462 18.720 ( -10.941 -2.888 1.523) 11.418 27.974 ( 0.657 2.251 1.350) 2.706 28.009 ( 0.526 -0.802 -0.089) 0.963 28.107 ( -0.911 0.647 0.103) 1.122 28.164 ( 0.415 -4.205 -0.694) 4.282 29.337 ( -2.891 2.825 2.826) 4.932 29.386 ( -2.520 -1.855 4.228) 5.260 29.976 ( 8.766 6.898 -1.993) 11.331 30.022 ( 12.130 2.424 8.379) 14.941 30.197 ( 0.650 3.305 5.154) 6.157 30.306 ( 6.932 -5.102 4.837) 9.873 30.676 ( -0.883 8.465 -5.771) 10.283 30.848 ( 1.416 -8.181 -6.409) 10.488 31.485 ( 0.039 2.737 0.628) 2.808 31.539 ( -3.222 -1.723 -5.890) 6.931 32.899 ( -12.319 7.562 0.866) 14.480 33.124 ( -11.260 -13.727 -7.262) 19.182 ======================= Grid point 185 (103/168) ======================= q-point: (-0.20 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -18.298 16.927 7.123) 25.925 2.207 ( -13.207 14.082 1.671) 19.378 2.471 ( -17.316 -12.524 3.591) 21.670 2.532 ( -4.848 -12.670 5.587) 14.671 3.087 ( -8.862 3.845 -5.158) 10.952 3.178 ( -8.331 -4.099 -6.209) 11.169 3.559 ( -0.721 3.370 -7.808) 8.535 3.620 ( 0.459 -1.169 -3.032) 3.282 3.731 ( -11.788 7.343 0.884) 13.916 3.801 ( -8.668 5.740 5.526) 11.774 3.953 ( -5.395 11.929 -0.916) 13.124 4.244 ( -6.154 -8.220 0.152) 10.269 4.442 ( -7.273 2.928 6.139) 9.958 4.539 ( -7.298 -6.186 4.791) 10.699 5.057 ( 0.747 4.027 -5.008) 6.469 5.136 ( -1.159 -3.986 -4.168) 5.883 5.514 ( -3.685 2.368 3.929) 5.884 5.624 ( -3.404 -7.457 1.741) 8.380 5.688 ( -7.765 6.545 11.520) 15.357 5.843 ( -8.294 -8.023 11.963) 16.622 6.065 ( -3.529 5.133 2.651) 6.770 6.180 ( -0.414 -4.435 2.546) 5.131 6.819 ( 3.024 7.693 -0.537) 8.283 6.963 ( -1.024 -5.914 -1.179) 6.116 7.163 ( -3.264 4.574 0.435) 5.636 7.260 ( -3.391 1.396 -4.073) 5.480 7.326 ( 3.651 3.698 0.683) 5.242 7.515 ( 1.758 -4.285 -6.056) 7.624 7.643 ( -0.355 4.865 -1.100) 5.001 7.855 ( 4.548 -11.342 -3.786) 12.793 8.163 ( 5.282 3.971 2.602) 7.102 8.255 ( 5.481 -4.452 1.106) 7.147 8.757 ( -4.237 7.768 -5.952) 10.664 8.918 ( -5.777 -6.758 -6.009) 10.731 9.148 ( 2.860 2.351 0.644) 3.758 9.223 ( -0.924 -4.496 5.116) 6.873 11.140 ( 3.444 3.804 -0.649) 5.172 11.255 ( 4.107 -6.773 0.869) 7.968 11.815 ( 1.318 6.058 -3.444) 7.092 11.926 ( 2.702 -4.427 -3.147) 6.067 13.977 ( 5.869 7.999 3.012) 10.368 14.148 ( 7.401 -8.129 2.959) 11.384 14.400 ( 8.889 7.416 -2.543) 11.853 14.549 ( 10.629 -6.570 -3.347) 12.936 15.578 ( 0.423 6.089 -3.070) 6.832 15.649 ( 1.135 0.100 -7.281) 7.370 15.858 ( -0.701 -0.706 -6.902) 6.974 15.895 ( -0.258 -4.183 -2.963) 5.133 16.159 ( 5.640 3.571 7.299) 9.891 16.221 ( 5.715 -2.066 3.976) 7.262 16.765 ( 0.368 2.354 3.504) 4.237 16.829 ( 1.278 -3.400 0.495) 3.666 18.283 ( -10.854 0.900 1.718) 11.026 18.324 ( -11.610 -3.063 -0.370) 12.013 18.487 ( -13.007 2.110 1.916) 13.316 18.533 ( -13.706 -2.343 0.792) 13.928 27.996 ( 0.442 1.261 0.542) 1.442 28.005 ( -0.094 0.369 -1.259) 1.316 28.089 ( -0.875 1.486 -0.428) 1.776 28.167 ( 0.686 -5.063 -0.595) 5.143 29.314 ( -2.973 3.409 1.366) 4.725 29.379 ( -3.212 -2.730 2.559) 4.931 29.994 ( 3.397 8.259 -11.205) 14.329 30.100 ( -0.778 -1.868 -10.303) 10.500 30.407 ( 13.755 9.994 6.874) 18.339 30.607 ( 13.749 -8.745 10.976) 19.647 30.679 ( 4.180 7.721 6.054) 10.665 30.848 ( 6.061 -8.473 3.134) 10.878 31.439 ( -1.357 3.251 -5.160) 6.248 31.488 ( -0.152 -1.598 -0.545) 1.695 32.677 ( -17.070 4.059 0.837) 17.566 32.821 ( -17.504 -9.722 -4.140) 20.446 ======================= Grid point 186 (104/168) ======================= q-point: (-0.10 0.43 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -14.937 16.974 4.283) 23.012 2.117 ( -10.458 -3.721 2.036) 11.285 2.271 ( -9.600 9.464 10.132) 16.863 2.580 ( -2.974 -15.189 10.013) 18.434 2.902 ( -4.607 5.025 -2.254) 7.181 3.011 ( -4.294 -4.955 -1.953) 6.842 3.442 ( -2.419 5.781 -6.112) 8.754 3.559 ( -0.008 -3.392 -6.509) 7.340 3.634 ( -9.209 14.977 5.700) 18.482 3.783 ( -1.189 5.486 6.476) 8.570 3.941 ( 0.694 3.711 2.639) 4.606 4.166 ( -4.457 -6.230 3.608) 8.468 4.449 ( -0.652 1.992 4.998) 5.420 4.527 ( -2.901 -4.506 5.589) 7.743 5.010 ( 0.991 1.602 -4.948) 5.295 5.071 ( -0.097 -4.872 -5.085) 7.043 5.522 ( -3.804 4.059 7.558) 9.384 5.633 ( -0.688 -6.107 5.685) 8.371 5.708 ( -5.977 5.634 11.008) 13.735 5.837 ( -6.202 -5.950 8.406) 12.022 6.067 ( -2.288 4.795 4.694) 7.090 6.212 ( -1.230 -7.133 3.734) 8.144 6.888 ( 4.091 5.657 0.839) 7.032 6.986 ( 2.426 -3.057 0.176) 3.906 7.121 ( -1.550 5.340 1.554) 5.774 7.209 ( 2.184 0.205 -0.511) 2.253 7.323 ( -0.996 0.696 -1.935) 2.284 7.405 ( -2.880 -4.124 -10.912) 12.016 7.691 ( 4.916 7.171 1.139) 8.768 7.877 ( 2.983 -9.684 -3.989) 10.890 8.224 ( 0.853 4.645 -0.700) 4.775 8.315 ( 0.698 -4.114 0.032) 4.173 8.647 ( -2.265 5.840 -3.842) 7.348 8.780 ( -4.064 -6.218 -3.346) 8.147 9.159 ( -0.156 2.353 -2.448) 3.399 9.234 ( -2.236 -4.591 1.704) 5.383 11.207 ( 3.352 4.934 2.197) 6.357 11.338 ( 2.969 -7.264 3.296) 8.512 11.791 ( 1.531 6.880 -4.335) 8.275 11.921 ( 2.201 -5.342 -4.221) 7.156 14.080 ( 3.101 8.589 1.584) 9.268 14.255 ( 3.509 -7.404 -0.039) 8.193 14.486 ( 5.278 7.017 -2.800) 9.217 14.640 ( 6.394 -7.056 -4.835) 10.679 15.552 ( 1.815 4.246 -4.651) 6.554 15.583 ( 0.602 1.935 -6.257) 6.577 15.765 ( -0.472 0.577 -6.837) 6.877 15.852 ( 0.016 -6.258 -3.334) 7.091 16.349 ( 7.515 1.483 4.492) 8.880 16.369 ( 8.258 -0.233 3.254) 8.878 16.787 ( -2.327 0.884 2.521) 3.542 16.827 ( -2.148 -2.738 -0.236) 3.489 18.116 ( -12.884 0.980 1.898) 13.060 18.147 ( -11.048 -1.651 2.718) 11.497 18.326 ( -8.440 1.237 0.899) 8.577 18.353 ( -6.993 -1.328 -0.932) 7.179 27.979 ( -0.799 0.868 -1.752) 2.112 27.994 ( -0.323 -0.449 -1.278) 1.393 28.078 ( 0.015 3.071 -0.229) 3.080 28.167 ( 0.397 -5.008 -0.995) 5.121 29.278 ( -2.709 3.626 0.303) 4.536 29.349 ( -3.256 -3.009 1.358) 4.637 29.839 ( -1.788 6.898 -15.853) 17.381 29.926 ( -3.092 -1.782 -12.571) 13.068 30.590 ( 6.091 9.563 1.484) 11.435 30.799 ( 6.747 -10.201 0.143) 12.231 30.944 ( 7.319 10.985 13.419) 18.823 31.159 ( 4.828 -8.200 12.763) 15.920 31.466 ( 15.739 -0.853 2.046) 15.894 31.485 ( 4.412 -2.059 -1.924) 5.235 32.378 ( -18.920 6.628 -1.097) 20.078 32.536 ( -15.500 -8.123 1.677) 17.580 ======================= Grid point 217 (105/168) ======================= q-point: ( 0.00 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 7.019 0.000 5.512) 8.925 1.485 ( -7.662 0.000 -9.201) 11.973 1.794 ( -10.684 0.000 20.204) 22.855 2.542 ( 3.166 0.000 -8.325) 8.907 2.952 ( -1.960 0.000 13.341) 13.484 3.036 ( -2.867 0.000 12.598) 12.920 3.193 ( 1.584 0.000 3.882) 4.193 3.225 ( 0.826 0.000 -6.498) 6.550 3.380 ( 0.779 0.000 9.417) 9.449 3.867 ( -4.087 0.000 -12.267) 12.930 3.885 ( 5.822 0.000 6.571) 8.779 4.283 ( 9.382 0.000 -4.288) 10.315 4.657 ( -3.669 0.000 6.159) 7.169 4.964 ( 10.867 0.000 -7.273) 13.076 5.229 ( 1.396 0.000 6.536) 6.684 5.298 ( 1.131 0.000 2.247) 2.515 5.646 ( 0.562 0.000 7.167) 7.189 5.785 ( -1.599 0.000 14.238) 14.328 5.968 ( -11.766 0.000 -8.097) 14.282 6.048 ( 5.145 0.000 0.299) 5.154 6.093 ( 11.812 0.000 7.850) 14.183 6.154 ( -2.727 0.000 -0.012) 2.727 6.644 ( -1.216 0.000 2.387) 2.679 6.808 ( -3.332 0.000 -4.334) 5.466 7.188 ( 12.101 0.000 -0.467) 12.110 7.189 ( -17.842 0.000 0.020) 17.842 7.322 ( -1.832 0.000 -4.870) 5.203 7.389 ( 1.543 0.000 -9.709) 9.831 7.513 ( 11.181 0.000 0.436) 11.189 7.598 ( -10.005 0.000 -4.952) 11.163 8.189 ( -2.750 0.000 6.608) 7.157 8.381 ( 2.417 0.000 0.498) 2.468 8.680 ( -1.873 0.000 6.600) 6.860 8.872 ( 14.626 0.000 -1.335) 14.686 9.054 ( -14.844 0.000 -0.136) 14.845 9.305 ( -3.099 0.000 -11.852) 12.250 11.082 ( 3.182 0.000 -1.047) 3.350 11.208 ( 1.185 0.000 -5.906) 6.024 11.948 ( -0.513 0.000 6.345) 6.365 12.110 ( 0.868 0.000 -1.496) 1.730 13.848 ( -2.591 0.000 3.253) 4.158 13.990 ( 2.533 0.000 -3.770) 4.542 14.635 ( -6.134 0.000 1.891) 6.419 14.770 ( 5.256 0.000 -5.261) 7.437 15.272 ( -4.809 0.000 -0.479) 4.833 15.304 ( 4.331 0.000 -1.552) 4.601 15.770 ( 1.162 0.000 -4.544) 4.690 15.799 ( 0.198 0.000 -4.516) 4.520 16.503 ( 2.600 0.000 5.593) 6.168 16.660 ( -6.726 0.000 -3.767) 7.708 16.813 ( -2.716 0.000 -1.044) 2.910 16.901 ( 7.359 0.000 -3.321) 8.073 17.955 ( -2.638 0.000 5.283) 5.905 18.115 ( 0.102 0.000 -2.433) 2.435 18.311 ( -7.726 0.000 4.360) 8.871 18.408 ( 6.554 0.000 -0.885) 6.614 27.906 ( 0.019 0.000 -0.049) 0.053 27.911 ( 1.311 0.000 0.852) 1.564 28.026 ( 0.217 0.000 0.203) 0.297 28.175 ( -2.513 0.000 -6.068) 6.568 29.030 ( 1.581 0.000 0.769) 1.758 29.071 ( -1.076 0.000 -1.554) 1.890 29.483 ( -3.450 0.000 5.327) 6.347 29.747 ( 1.818 0.000 -8.187) 8.387 30.390 ( 1.633 0.000 8.163) 8.325 30.584 ( -1.807 0.000 -0.667) 1.926 31.256 ( -6.174 0.000 3.143) 6.928 31.425 ( -6.527 0.000 -3.442) 7.379 31.451 ( -19.783 0.000 1.862) 19.870 31.476 ( 21.697 0.000 -2.054) 21.794 32.651 ( -20.144 0.000 9.959) 22.471 32.961 ( 32.000 0.000 -5.649) 32.495 ======================= Grid point 218 (106/168) ======================= q-point: ( 0.10 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 19.725 0.000 -6.057) 20.634 1.623 ( 34.231 0.000 4.585) 34.537 1.970 ( -1.727 0.000 23.602) 23.665 2.501 ( 8.114 0.000 -13.769) 15.982 2.950 ( -14.348 0.000 10.230) 17.622 3.053 ( -3.896 0.000 -10.235) 10.951 3.194 ( 9.741 0.000 6.821) 11.892 3.405 ( 9.279 0.000 5.207) 10.640 3.610 ( 9.060 0.000 11.524) 14.659 3.684 ( 0.093 0.000 -11.387) 11.388 4.051 ( 6.503 0.000 4.329) 7.812 4.345 ( 10.776 0.000 -13.638) 17.381 4.624 ( -6.917 0.000 3.182) 7.614 4.994 ( 5.432 0.000 -10.190) 11.547 5.311 ( 1.007 0.000 4.451) 4.563 5.358 ( 2.996 0.000 0.449) 3.030 5.687 ( -11.340 0.000 -7.191) 13.428 5.704 ( -5.827 0.000 10.011) 11.584 5.903 ( -2.120 0.000 8.482) 8.743 6.094 ( -2.683 0.000 -2.712) 3.814 6.102 ( 5.160 0.000 -3.445) 6.204 6.368 ( 14.429 0.000 1.117) 14.472 6.671 ( 0.195 0.000 5.238) 5.242 6.747 ( 0.667 0.000 -1.540) 1.678 6.984 ( -7.001 0.000 2.502) 7.435 7.163 ( -8.422 0.000 -6.824) 10.840 7.341 ( 1.597 0.000 -4.115) 4.414 7.350 ( -10.278 0.000 1.104) 10.337 7.436 ( 11.095 0.000 0.771) 11.122 7.672 ( 7.037 0.000 -0.573) 7.060 8.232 ( -0.656 0.000 5.932) 5.968 8.440 ( 4.991 0.000 -6.080) 7.866 8.645 ( -7.806 0.000 4.623) 9.072 8.977 ( -1.286 0.000 11.374) 11.446 9.006 ( 4.969 0.000 -9.453) 10.680 9.275 ( 12.310 0.000 -1.534) 12.405 11.116 ( 1.734 0.000 0.148) 1.740 11.149 ( 0.346 0.000 -6.484) 6.493 11.998 ( -1.519 0.000 4.835) 5.068 12.095 ( 0.607 0.000 -3.058) 3.117 13.819 ( -5.521 0.000 4.012) 6.825 13.957 ( -1.653 0.000 -4.311) 4.617 14.517 ( -11.927 0.000 2.775) 12.246 14.754 ( -0.788 0.000 -3.287) 3.381 15.202 ( -3.384 0.000 0.864) 3.493 15.347 ( 2.829 0.000 -1.618) 3.259 15.760 ( 0.725 0.000 -2.936) 3.024 15.762 ( 2.016 0.000 -1.528) 2.530 16.490 ( -9.561 0.000 -0.915) 9.605 16.599 ( 0.807 0.000 4.143) 4.221 16.736 ( -4.993 0.000 0.490) 5.017 16.890 ( -2.834 0.000 -3.467) 4.478 18.084 ( 9.930 0.000 3.282) 10.458 18.145 ( 6.803 0.000 -1.962) 7.080 18.297 ( 0.266 0.000 3.139) 3.150 18.544 ( 11.269 0.000 -1.020) 11.315 27.916 ( 1.072 0.000 -0.042) 1.072 27.934 ( 1.851 0.000 -0.823) 2.025 28.071 ( 2.039 0.000 3.911) 4.411 28.080 ( -1.462 0.000 -4.401) 4.638 29.041 ( -0.395 0.000 -1.443) 1.496 29.074 ( 2.744 0.000 0.709) 2.834 29.499 ( -3.394 0.000 6.571) 7.396 29.691 ( 1.876 0.000 -6.419) 6.687 30.482 ( -1.801 0.000 8.017) 8.217 30.511 ( -3.991 0.000 -3.700) 5.442 30.898 ( -28.211 0.000 5.799) 28.800 31.253 ( -8.889 0.000 -3.347) 9.498 31.534 ( 9.753 0.000 2.447) 10.055 31.796 ( 14.676 0.000 1.068) 14.715 32.466 ( -10.904 0.000 5.453) 12.191 33.332 ( 27.201 0.000 -11.971) 29.719 ======================= Grid point 219 (107/168) ======================= q-point: ( 0.20 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 31.163 0.000 2.601) 31.271 2.196 ( 27.803 0.000 -1.225) 27.830 2.250 ( 3.885 0.000 20.698) 21.059 2.532 ( 17.012 0.000 -8.692) 19.104 2.817 ( -10.605 0.000 2.292) 10.850 2.835 ( -4.544 0.000 -13.385) 14.135 3.444 ( 8.218 0.000 10.427) 13.276 3.545 ( 4.538 0.000 -3.014) 5.447 3.664 ( 5.394 0.000 -0.410) 5.410 3.852 ( 4.736 0.000 9.576) 10.683 4.198 ( 11.261 0.000 -1.905) 11.421 4.319 ( 12.890 0.000 -21.600) 25.154 4.540 ( -6.071 0.000 1.770) 6.324 4.924 ( 1.493 0.000 -10.121) 10.231 5.339 ( -0.198 0.000 -7.647) 7.650 5.360 ( -1.991 0.000 4.482) 4.904 5.463 ( -5.126 0.000 -7.634) 9.195 5.730 ( -6.217 0.000 11.870) 13.400 5.908 ( -3.725 0.000 2.600) 4.543 5.998 ( -1.583 0.000 -7.753) 7.913 6.146 ( 7.361 0.000 -5.735) 9.331 6.510 ( 8.236 0.000 -7.610) 11.213 6.796 ( 4.554 0.000 -2.174) 5.046 6.820 ( 8.216 0.000 8.038) 11.494 6.956 ( -9.138 0.000 2.414) 9.452 7.012 ( 3.358 0.000 4.607) 5.701 7.232 ( -6.515 0.000 6.100) 8.925 7.320 ( -1.121 0.000 -0.704) 1.324 7.653 ( 7.882 0.000 4.686) 9.170 7.739 ( 2.846 0.000 -0.025) 2.846 8.289 ( -0.500 0.000 4.319) 4.348 8.347 ( -4.192 0.000 -4.862) 6.420 8.621 ( 0.062 0.000 -3.192) 3.192 8.912 ( 1.845 0.000 -12.721) 12.854 9.203 ( 4.438 0.000 19.165) 19.672 9.495 ( 11.372 0.000 1.405) 11.459 11.077 ( 0.369 0.000 -6.529) 6.539 11.150 ( 1.692 0.000 1.768) 2.447 12.002 ( -3.832 0.000 2.790) 4.740 12.054 ( 0.138 0.000 -5.413) 5.415 13.785 ( -5.304 0.000 5.535) 7.666 13.839 ( -5.775 0.000 -4.553) 7.354 14.338 ( -15.077 0.000 4.314) 15.682 14.669 ( -5.754 0.000 -2.361) 6.220 15.210 ( 1.714 0.000 2.577) 3.095 15.350 ( -0.500 0.000 -0.933) 1.059 15.769 ( 2.954 0.000 -0.024) 2.954 15.792 ( 2.812 0.000 -0.218) 2.820 16.360 ( -7.126 0.000 1.619) 7.307 16.527 ( -6.565 0.000 -4.789) 8.126 16.764 ( 0.503 0.000 6.737) 6.756 16.774 ( -7.128 0.000 -1.513) 7.286 18.275 ( 9.933 0.000 0.843) 9.969 18.286 ( 11.501 0.000 1.130) 11.557 18.378 ( 5.754 0.000 2.101) 6.126 18.717 ( 11.553 0.000 -1.281) 11.624 27.924 ( 0.685 0.000 -1.699) 1.832 27.958 ( 2.465 0.000 -0.945) 2.640 28.048 ( 1.109 0.000 -0.079) 1.111 28.163 ( 2.244 0.000 5.574) 6.008 29.030 ( 0.774 0.000 -0.729) 1.063 29.129 ( 3.348 0.000 0.309) 3.362 29.521 ( -4.181 0.000 7.463) 8.554 29.664 ( 2.734 0.000 -4.394) 5.176 30.378 ( -5.639 0.000 -5.962) 8.206 30.495 ( -14.889 0.000 13.550) 20.132 30.612 ( -9.614 0.000 0.156) 9.615 31.091 ( -7.075 0.000 -1.758) 7.290 31.698 ( 8.483 0.000 0.016) 8.483 31.811 ( -9.972 0.000 -2.831) 10.366 32.572 ( 13.009 0.000 7.416) 14.975 33.556 ( 21.074 0.000 -14.711) 25.701 ======================= Grid point 220 (108/168) ======================= q-point: ( 0.30 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 13.310 0.000 -13.634) 19.054 2.383 ( 27.096 0.000 -1.722) 27.150 2.490 ( -1.478 0.000 13.128) 13.211 2.646 ( -11.032 0.000 2.433) 11.297 2.717 ( 2.159 0.000 2.066) 2.989 2.909 ( 20.875 0.000 3.987) 21.252 3.564 ( 7.307 0.000 -7.744) 10.647 3.661 ( 5.241 0.000 7.544) 9.186 3.696 ( -1.040 0.000 -0.802) 1.313 3.972 ( 0.153 0.000 5.253) 5.255 4.277 ( 3.898 0.000 -10.130) 10.854 4.355 ( 11.799 0.000 -4.427) 12.602 4.527 ( 9.581 0.000 -6.868) 11.788 4.837 ( 1.841 0.000 -9.178) 9.361 5.238 ( 1.397 0.000 -8.226) 8.344 5.300 ( -6.575 0.000 2.393) 6.997 5.424 ( 5.005 0.000 -3.070) 5.872 5.763 ( -5.654 0.000 9.930) 11.426 5.864 ( 0.506 0.000 -3.908) 3.941 5.943 ( 2.265 0.000 -1.368) 2.646 6.204 ( 10.829 0.000 -10.569) 15.132 6.513 ( 1.159 0.000 -2.700) 2.938 6.735 ( -0.812 0.000 -4.380) 4.454 7.020 ( 9.355 0.000 -2.334) 9.642 7.050 ( 3.952 0.000 10.872) 11.568 7.130 ( 3.315 0.000 5.964) 6.823 7.250 ( -4.523 0.000 10.139) 11.102 7.304 ( -0.081 0.000 1.102) 1.105 7.758 ( -0.041 0.000 2.834) 2.835 7.769 ( -0.458 0.000 1.466) 1.536 8.280 ( -2.207 0.000 2.561) 3.381 8.308 ( -0.822 0.000 1.465) 1.679 8.522 ( -3.619 0.000 -9.208) 9.893 8.790 ( 1.935 0.000 -13.409) 13.548 9.454 ( -0.229 0.000 15.165) 15.167 9.610 ( 2.818 0.000 -1.609) 3.245 11.021 ( 1.650 0.000 -5.452) 5.696 11.223 ( 3.495 0.000 3.729) 5.111 11.945 ( -5.753 0.000 1.449) 5.932 11.970 ( -0.917 0.000 -8.084) 8.135 13.720 ( -3.036 0.000 -2.193) 3.745 13.783 ( -3.859 0.000 6.821) 7.837 14.164 ( -14.029 0.000 6.339) 15.394 14.537 ( -6.529 0.000 -2.770) 7.092 15.281 ( 2.612 0.000 2.302) 3.482 15.322 ( -2.055 0.000 0.313) 2.079 15.836 ( 2.845 0.000 -0.507) 2.890 15.851 ( 4.929 0.000 2.563) 5.555 16.297 ( -3.711 0.000 1.846) 4.144 16.357 ( -5.532 0.000 -6.984) 8.910 16.653 ( -7.759 0.000 1.689) 7.940 16.834 ( -0.573 0.000 4.817) 4.851 18.456 ( 8.251 0.000 4.403) 9.353 18.459 ( 8.417 0.000 1.170) 8.498 18.516 ( 8.558 0.000 1.695) 8.724 18.860 ( 8.139 0.000 -1.604) 8.296 27.911 ( 0.736 0.000 -1.594) 1.756 27.986 ( 2.083 0.000 -0.715) 2.203 28.099 ( 2.888 0.000 2.542) 3.848 28.256 ( 1.067 0.000 5.439) 5.543 29.053 ( 2.400 0.000 0.453) 2.442 29.184 ( 3.226 0.000 0.128) 3.229 29.533 ( -5.523 0.000 7.847) 9.596 29.680 ( 4.256 0.000 -2.342) 4.858 30.206 ( -5.742 0.000 -7.474) 9.426 30.351 ( -17.064 0.000 11.181) 20.401 30.562 ( -2.330 0.000 1.319) 2.678 31.012 ( -2.867 0.000 2.283) 3.665 31.569 ( -9.466 0.000 -8.840) 12.952 31.787 ( 4.826 0.000 -3.310) 5.852 32.886 ( 10.375 0.000 11.015) 15.132 33.677 ( 16.918 0.000 -15.751) 23.115 ======================= Grid point 221 (109/168) ======================= q-point: ( 0.40 0.00 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -0.039 0.000 -3.757) 3.757 2.468 ( -10.446 0.000 3.751) 11.099 2.521 ( -0.038 0.000 -3.163) 3.163 2.670 ( 12.516 0.000 -1.995) 12.674 2.931 ( 10.087 0.000 10.512) 14.569 3.188 ( 6.322 0.000 5.992) 8.710 3.554 ( 5.843 0.000 -12.514) 13.811 3.730 ( 3.657 0.000 4.731) 5.979 3.760 ( 0.490 0.000 1.058) 1.166 3.978 ( -2.645 0.000 -0.510) 2.694 4.236 ( -1.321 0.000 1.810) 2.241 4.441 ( 6.071 0.000 -6.024) 8.552 4.635 ( 15.194 0.000 -11.914) 19.308 4.759 ( 1.022 0.000 -8.439) 8.500 5.232 ( 3.718 0.000 -1.792) 4.127 5.269 ( -0.462 0.000 0.960) 1.065 5.504 ( 4.122 0.000 3.908) 5.681 5.788 ( -3.812 0.000 7.856) 8.732 5.890 ( 7.766 0.000 -3.283) 8.431 6.008 ( 4.611 0.000 3.348) 5.698 6.191 ( 7.418 0.000 -17.834) 19.316 6.523 ( -2.711 0.000 6.111) 6.685 6.733 ( 2.457 0.000 1.184) 2.728 6.996 ( -3.734 0.000 -5.171) 6.379 7.211 ( -3.045 0.000 10.569) 10.999 7.274 ( 6.911 0.000 1.834) 7.151 7.318 ( 2.618 0.000 8.458) 8.854 7.347 ( 1.923 0.000 2.289) 2.990 7.751 ( -3.076 0.000 2.072) 3.708 7.760 ( -0.494 0.000 -0.026) 0.495 8.274 ( -9.928 0.000 0.428) 9.938 8.306 ( 2.458 0.000 -4.236) 4.897 8.339 ( -0.501 0.000 -5.297) 5.320 8.680 ( 2.519 0.000 -11.099) 11.382 9.512 ( -6.931 0.000 5.891) 9.096 9.560 ( -3.423 0.000 -4.704) 5.817 11.015 ( 3.557 0.000 -2.473) 4.332 11.323 ( 3.368 0.000 2.244) 4.047 11.858 ( -0.295 0.000 -7.968) 7.973 11.876 ( -4.874 0.000 1.608) 5.133 13.710 ( 2.629 0.000 0.838) 2.760 13.819 ( -1.067 0.000 5.878) 5.974 14.048 ( -10.982 0.000 8.151) 13.676 14.419 ( -3.061 0.000 -3.796) 4.876 15.306 ( -1.170 0.000 1.787) 2.136 15.330 ( 0.854 0.000 1.464) 1.695 15.858 ( 1.219 0.000 -1.656) 2.057 15.954 ( 4.405 0.000 1.067) 4.532 16.211 ( -3.319 0.000 -5.382) 6.323 16.272 ( -1.096 0.000 -0.130) 1.104 16.587 ( -6.013 0.000 6.395) 8.778 16.855 ( -1.064 0.000 1.461) 1.807 18.578 ( 4.197 0.000 2.292) 4.782 18.607 ( 2.907 0.000 5.335) 6.075 18.676 ( 8.950 0.000 1.681) 9.107 18.926 ( 2.828 0.000 -2.304) 3.647 27.917 ( 1.286 0.000 -0.236) 1.307 28.000 ( 0.648 0.000 -0.861) 1.078 28.184 ( 3.399 0.000 3.130) 4.621 28.311 ( -0.931 0.000 3.678) 3.794 29.116 ( 4.034 0.000 1.572) 4.330 29.227 ( 1.484 0.000 0.308) 1.515 29.526 ( -6.571 0.000 7.764) 10.171 29.744 ( 6.202 0.000 -1.206) 6.318 30.051 ( -2.787 0.000 -6.470) 7.045 30.236 ( -10.772 0.000 6.441) 12.551 30.539 ( -4.929 0.000 5.123) 7.109 31.048 ( 1.132 0.000 5.081) 5.206 31.353 ( -2.818 0.000 -10.436) 10.810 31.770 ( 0.318 0.000 -6.601) 6.609 33.109 ( 0.621 0.000 11.981) 11.997 33.741 ( 14.419 0.000 -16.024) 21.556 ======================= Grid point 222 (110/168) ======================= q-point: (-0.50 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -20.612 0.000 4.444) 21.086 2.276 ( -17.912 0.000 12.533) 21.861 2.598 ( 15.292 0.000 -8.909) 17.697 2.829 ( 9.499 0.000 -1.730) 9.656 3.155 ( 6.886 0.000 5.384) 8.741 3.250 ( -5.721 0.000 4.334) 7.177 3.522 ( 5.180 0.000 -8.880) 10.280 3.687 ( -3.426 0.000 -9.116) 9.738 3.848 ( 1.962 0.000 7.130) 7.395 3.908 ( -5.893 0.000 1.161) 6.006 4.290 ( 2.491 0.000 4.945) 5.537 4.407 ( -1.694 0.000 -5.689) 5.936 4.658 ( -3.067 0.000 -7.703) 8.292 4.689 ( 7.628 0.000 -10.951) 13.346 5.247 ( -1.997 0.000 0.895) 2.189 5.278 ( 0.423 0.000 -0.088) 0.432 5.601 ( -1.718 0.000 7.326) 7.524 5.822 ( -2.576 0.000 6.171) 6.687 5.973 ( 5.668 0.000 -3.122) 6.471 6.064 ( 1.829 0.000 -15.098) 15.208 6.210 ( 11.748 0.000 9.929) 15.382 6.471 ( -10.900 0.000 -0.804) 10.930 6.814 ( 3.151 0.000 3.581) 4.770 6.880 ( -4.156 0.000 -1.677) 4.482 7.207 ( -7.267 0.000 6.882) 10.009 7.367 ( -0.785 0.000 6.177) 6.226 7.376 ( 1.067 0.000 -0.977) 1.447 7.506 ( 6.868 0.000 6.417) 9.399 7.714 ( -4.769 0.000 0.457) 4.791 7.802 ( 6.858 0.000 -1.570) 7.035 8.052 ( -6.039 0.000 -5.830) 8.394 8.286 ( 8.687 0.000 -14.219) 16.663 8.340 ( -4.329 0.000 5.886) 7.307 8.633 ( 4.114 0.000 -5.733) 7.056 9.431 ( -6.370 0.000 1.387) 6.519 9.444 ( -3.830 0.000 -3.036) 4.888 11.080 ( 5.249 0.000 1.471) 5.451 11.330 ( -0.365 0.000 -5.792) 5.803 11.823 ( -4.005 0.000 0.776) 4.079 11.826 ( 3.758 0.000 -1.802) 4.168 13.804 ( 6.416 0.000 1.796) 6.662 13.848 ( -1.378 0.000 0.151) 1.386 14.032 ( -3.656 0.000 11.026) 11.617 14.362 ( 2.568 0.000 -5.277) 5.868 15.324 ( -0.301 0.000 2.801) 2.817 15.343 ( -0.989 0.000 1.158) 1.523 15.839 ( -0.629 0.000 -1.846) 1.950 15.984 ( 2.812 0.000 -5.700) 6.355 16.153 ( -1.298 0.000 1.746) 2.176 16.253 ( -0.101 0.000 -1.611) 1.614 16.611 ( -2.654 0.000 9.286) 9.658 16.845 ( 0.123 0.000 -1.572) 1.577 18.642 ( -0.261 0.000 3.383) 3.393 18.659 ( -2.993 0.000 3.777) 4.819 18.828 ( 7.715 0.000 1.306) 7.825 18.895 ( -2.343 0.000 -3.444) 4.165 27.942 ( 1.365 0.000 0.699) 1.534 27.986 ( -0.912 0.000 -1.229) 1.530 28.272 ( 3.301 0.000 2.790) 4.322 28.310 ( -2.647 0.000 1.330) 2.962 29.207 ( 4.700 0.000 1.522) 4.941 29.226 ( -1.952 0.000 -0.114) 1.955 29.510 ( -6.510 0.000 7.836) 10.187 29.826 ( 7.636 0.000 -5.070) 9.166 30.002 ( 2.079 0.000 0.329) 2.105 30.140 ( -6.431 0.000 0.001) 6.431 30.543 ( -6.218 0.000 11.977) 13.494 31.086 ( 2.460 0.000 -6.803) 7.234 31.302 ( 3.368 0.000 3.078) 4.562 31.652 ( -3.592 0.000 -9.061) 9.747 33.185 ( -7.746 0.000 11.844) 14.152 33.767 ( 12.343 0.000 -16.495) 20.602 ======================= Grid point 223 (111/168) ======================= q-point: (-0.40 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -24.008 0.000 8.371) 25.426 2.148 ( -22.176 0.000 19.964) 29.838 2.756 ( 15.057 0.000 -6.670) 16.468 2.909 ( 6.940 0.000 -6.536) 9.533 3.113 ( -16.418 0.000 3.107) 16.709 3.315 ( 4.349 0.000 4.864) 6.525 3.462 ( -4.413 0.000 -1.694) 4.727 3.484 ( -4.752 0.000 -13.118) 13.952 3.823 ( -8.911 0.000 4.580) 10.019 3.957 ( 2.452 0.000 5.519) 6.040 4.199 ( -18.087 0.000 -5.369) 18.867 4.385 ( 3.705 0.000 0.859) 3.803 4.534 ( -0.370 0.000 -5.520) 5.532 4.623 ( -3.058 0.000 -5.745) 6.509 5.215 ( -2.506 0.000 1.705) 3.031 5.266 ( -1.978 0.000 -0.861) 2.157 5.592 ( -10.316 0.000 8.790) 13.553 5.824 ( -3.802 0.000 1.562) 4.111 5.913 ( -3.332 0.000 -9.492) 10.060 6.009 ( 4.571 0.000 -3.404) 5.700 6.193 ( -13.879 0.000 -8.589) 16.322 6.527 ( 6.475 0.000 14.900) 16.246 6.799 ( -5.737 0.000 -0.318) 5.746 6.867 ( 2.268 0.000 -3.324) 4.024 7.178 ( -4.844 0.000 5.514) 7.339 7.347 ( -6.596 0.000 5.196) 8.397 7.429 ( 1.807 0.000 1.115) 2.123 7.552 ( -5.771 0.000 -7.071) 9.127 7.666 ( 4.741 0.000 3.584) 5.943 7.906 ( 7.216 0.000 -0.237) 7.220 8.060 ( 5.504 0.000 4.437) 7.070 8.259 ( 11.233 0.000 -18.052) 21.261 8.343 ( -4.607 0.000 7.862) 9.113 8.668 ( 7.906 0.000 -7.014) 10.569 9.387 ( -2.486 0.000 3.733) 4.485 9.424 ( 1.683 0.000 4.596) 4.895 11.201 ( 5.366 0.000 3.869) 6.615 11.218 ( -0.962 0.000 -9.759) 9.807 11.762 ( -3.594 0.000 -0.607) 3.645 11.900 ( 5.101 0.000 0.711) 5.150 13.791 ( -2.869 0.000 -2.600) 3.872 13.923 ( 6.701 0.000 -0.241) 6.705 14.166 ( 4.556 0.000 9.152) 10.223 14.382 ( 8.653 0.000 -6.728) 10.961 15.333 ( -1.509 0.000 1.137) 1.889 15.349 ( -0.452 0.000 1.997) 2.048 15.821 ( -0.285 0.000 1.462) 1.489 15.950 ( 2.365 0.000 -6.266) 6.698 16.176 ( -0.519 0.000 3.746) 3.781 16.226 ( -0.485 0.000 -2.558) 2.603 16.700 ( 0.073 0.000 9.062) 9.062 16.831 ( 2.176 0.000 -3.729) 4.318 18.606 ( -7.521 0.000 2.019) 7.787 18.644 ( -4.935 0.000 3.877) 6.276 18.781 ( -6.058 0.000 -4.279) 7.417 18.935 ( 5.112 0.000 -1.220) 5.255 27.948 ( -1.770 0.000 -1.348) 2.225 27.969 ( 0.703 0.000 0.766) 1.040 28.264 ( -3.546 0.000 -0.510) 3.583 28.346 ( 2.668 0.000 1.672) 3.149 29.168 ( -4.172 0.000 -0.960) 4.281 29.272 ( 2.049 0.000 -0.943) 2.256 29.516 ( -4.343 0.000 8.636) 9.667 29.865 ( 8.079 0.000 -8.885) 12.009 30.033 ( -3.810 0.000 -3.593) 5.237 30.111 ( 5.353 0.000 6.086) 8.105 30.641 ( -3.196 0.000 19.050) 19.316 31.025 ( 5.721 0.000 -12.609) 13.847 31.444 ( 3.338 0.000 8.819) 9.430 31.465 ( -5.539 0.000 -9.807) 11.263 33.156 ( -12.959 0.000 12.372) 17.916 33.735 ( 8.316 0.000 -18.832) 20.587 ======================= Grid point 224 (112/168) ======================= q-point: (-0.30 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -23.916 0.000 15.357) 28.422 1.984 ( -27.347 0.000 16.311) 31.842 2.810 ( -18.612 0.000 13.265) 22.855 2.924 ( 5.631 0.000 -7.691) 9.532 2.943 ( 3.280 0.000 -3.934) 5.122 3.159 ( -15.462 0.000 -9.085) 17.933 3.257 ( -5.936 0.000 -11.828) 13.234 3.546 ( -0.548 0.000 13.720) 13.731 3.740 ( -7.354 0.000 3.844) 8.298 3.784 ( -25.021 0.000 -2.346) 25.130 4.041 ( 3.550 0.000 0.148) 3.553 4.357 ( -6.045 0.000 -3.530) 7.000 4.536 ( 6.634 0.000 -2.475) 7.081 4.545 ( -2.100 0.000 2.200) 3.041 5.170 ( -5.928 0.000 -3.886) 7.088 5.223 ( -0.435 0.000 2.962) 2.993 5.548 ( -10.127 0.000 13.985) 17.267 5.691 ( -7.644 0.000 -8.515) 11.443 5.754 ( -5.202 0.000 -4.480) 6.865 5.953 ( -7.647 0.000 -0.720) 7.681 6.053 ( 5.653 0.000 -3.036) 6.417 6.631 ( -13.008 0.000 9.952) 16.378 6.701 ( -4.980 0.000 -0.892) 5.060 6.863 ( 7.299 0.000 -6.714) 9.917 7.177 ( -1.984 0.000 2.669) 3.325 7.271 ( -8.672 0.000 3.026) 9.185 7.397 ( -4.001 0.000 -4.463) 5.994 7.464 ( 2.645 0.000 -0.397) 2.675 7.818 ( 8.361 0.000 1.800) 8.552 7.997 ( 4.094 0.000 -2.230) 4.662 8.217 ( 6.209 0.000 4.462) 7.646 8.234 ( 6.307 0.000 -10.045) 11.861 8.372 ( -3.251 0.000 8.099) 8.727 8.667 ( 6.144 0.000 -12.216) 13.674 9.426 ( -1.517 0.000 6.963) 7.126 9.591 ( 7.441 0.000 7.536) 10.591 11.106 ( 0.904 0.000 -8.993) 9.038 11.302 ( 2.283 0.000 1.418) 2.687 11.722 ( -0.962 0.000 1.647) 1.907 11.982 ( 4.548 0.000 -0.006) 4.548 13.723 ( -1.140 0.000 -2.506) 2.754 13.993 ( 4.660 0.000 -3.425) 5.783 14.360 ( 8.093 0.000 6.366) 10.296 14.471 ( 12.604 0.000 -7.742) 14.792 15.335 ( 0.275 0.000 1.117) 1.151 15.345 ( -1.174 0.000 -0.471) 1.265 15.882 ( 3.134 0.000 4.503) 5.487 15.917 ( 1.438 0.000 -5.001) 5.204 16.184 ( -0.765 0.000 -1.447) 1.637 16.222 ( 0.799 0.000 4.196) 4.271 16.805 ( 1.139 0.000 6.798) 6.893 16.829 ( 3.731 0.000 -4.788) 6.070 18.481 ( -9.837 0.000 0.879) 9.876 18.571 ( -9.428 0.000 2.860) 9.852 18.620 ( -7.815 0.000 -4.096) 8.823 18.928 ( -1.426 0.000 -6.963) 7.108 27.906 ( -1.685 0.000 -0.937) 1.928 27.975 ( -0.647 0.000 0.097) 0.654 28.193 ( -3.674 0.000 -1.654) 4.029 28.388 ( 1.359 0.000 -0.457) 1.434 29.089 ( -3.870 0.000 -1.080) 4.018 29.246 ( -1.836 0.000 -2.954) 3.478 29.546 ( -3.986 0.000 6.058) 7.251 29.882 ( 7.194 0.000 -9.573) 11.975 29.979 ( 0.546 0.000 0.784) 0.955 30.281 ( 6.141 0.000 7.112) 9.397 30.901 ( 6.278 0.000 22.417) 23.280 30.995 ( 9.430 0.000 -13.082) 16.127 31.280 ( -4.324 0.000 -7.067) 8.285 31.571 ( 0.448 0.000 7.197) 7.211 33.075 ( -15.864 0.000 13.634) 20.918 33.552 ( -2.275 0.000 -23.690) 23.799 ======================= Grid point 225 (113/168) ======================= q-point: (-0.20 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -20.529 0.000 22.208) 30.243 1.650 ( -32.944 0.000 12.532) 35.247 2.668 ( -26.945 0.000 -10.376) 28.873 2.733 ( -22.015 0.000 30.660) 37.745 2.861 ( -4.631 0.000 -13.117) 13.910 2.975 ( 7.428 0.000 -6.882) 10.126 3.030 ( -9.277 0.000 -3.212) 9.817 3.480 ( -12.347 0.000 3.218) 12.759 3.604 ( -9.285 0.000 6.670) 11.433 3.695 ( -1.557 0.000 1.585) 2.222 4.067 ( 2.337 0.000 -2.480) 3.408 4.222 ( -5.290 0.000 -1.393) 5.470 4.561 ( -1.490 0.000 4.757) 4.985 4.677 ( 12.961 0.000 -1.983) 13.112 5.075 ( -1.621 0.000 0.510) 1.699 5.244 ( -1.016 0.000 2.385) 2.593 5.522 ( -1.799 0.000 -3.209) 3.678 5.584 ( -7.524 0.000 15.547) 17.272 5.704 ( 1.160 0.000 3.041) 3.255 5.888 ( -3.074 0.000 3.153) 4.404 6.112 ( 6.172 0.000 -3.406) 7.049 6.459 ( -13.690 0.000 0.672) 13.707 6.640 ( -2.556 0.000 0.999) 2.745 6.904 ( 3.359 0.000 -1.757) 3.791 7.146 ( -3.821 0.000 -0.771) 3.898 7.183 ( -2.747 0.000 -0.270) 2.760 7.332 ( -0.143 0.000 -1.369) 1.377 7.495 ( 1.919 0.000 -1.659) 2.537 7.890 ( 1.759 0.000 -4.817) 5.128 7.942 ( -1.870 0.000 -11.365) 11.518 8.199 ( -5.137 0.000 1.392) 5.322 8.321 ( 0.825 0.000 4.264) 4.343 8.463 ( 2.995 0.000 7.722) 8.283 8.637 ( 6.952 0.000 -8.615) 11.070 9.445 ( -6.784 0.000 5.327) 8.626 9.703 ( 0.270 0.000 -2.818) 2.831 11.046 ( 2.875 0.000 -6.449) 7.061 11.298 ( 0.006 0.000 -3.731) 3.731 11.778 ( 1.250 0.000 6.255) 6.379 12.048 ( 3.973 0.000 -0.007) 3.973 13.723 ( 2.753 0.000 0.909) 2.899 14.001 ( 2.978 0.000 -4.907) 5.740 14.547 ( 7.189 0.000 4.123) 8.288 14.591 ( 13.497 0.000 -7.783) 15.580 15.306 ( -1.614 0.000 -1.910) 2.501 15.356 ( 0.630 0.000 0.237) 0.673 15.880 ( 0.987 0.000 -4.545) 4.651 15.924 ( 0.641 0.000 -5.986) 6.020 16.281 ( 10.049 0.000 8.760) 13.331 16.300 ( 2.311 0.000 4.831) 5.356 16.836 ( 3.736 0.000 -4.418) 5.786 16.875 ( 0.118 0.000 2.933) 2.935 18.330 ( -9.525 0.000 -0.048) 9.525 18.400 ( -13.738 0.000 -1.819) 13.858 18.460 ( -6.462 0.000 -2.931) 7.095 18.713 ( -13.692 0.000 -7.333) 15.532 27.879 ( -0.813 0.000 0.001) 0.813 27.952 ( -1.830 0.000 -0.419) 1.878 28.116 ( -3.081 0.000 -2.177) 3.772 28.370 ( -0.780 0.000 -3.636) 3.719 29.031 ( -2.171 0.000 -0.475) 2.222 29.171 ( -2.775 0.000 -2.658) 3.842 29.521 ( -5.016 0.000 3.402) 6.061 29.866 ( 4.905 0.000 -9.885) 11.035 30.076 ( 4.479 0.000 7.406) 8.655 30.455 ( 5.054 0.000 6.843) 8.508 31.033 ( 14.495 0.000 -12.567) 19.184 31.133 ( 1.586 0.000 -3.470) 3.815 31.419 ( 19.379 0.000 19.892) 27.771 31.613 ( -3.319 0.000 3.913) 5.131 32.970 ( -17.866 0.000 14.384) 22.937 33.090 ( -20.686 0.000 -23.201) 31.084 ======================= Grid point 226 (114/168) ======================= q-point: (-0.10 0.00 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -27.050 0.000 11.140) 29.254 1.570 ( -14.876 0.000 23.142) 27.511 2.086 ( -27.061 0.000 -11.550) 29.422 2.608 ( -6.800 0.000 -1.532) 6.970 2.840 ( 6.127 0.000 1.023) 6.212 2.932 ( -18.685 0.000 26.769) 32.645 3.053 ( 8.792 0.000 -2.136) 9.047 3.383 ( -7.779 0.000 4.702) 9.090 3.427 ( -13.671 0.000 -1.468) 13.750 3.744 ( 4.380 0.000 2.910) 5.259 4.040 ( -2.728 0.000 -5.959) 6.554 4.188 ( 5.393 0.000 -2.345) 5.881 4.611 ( -1.818 0.000 7.989) 8.193 4.844 ( 12.497 0.000 -4.777) 13.379 5.125 ( 1.882 0.000 5.917) 6.209 5.265 ( 0.908 0.000 1.402) 1.671 5.550 ( 2.472 0.000 4.103) 4.790 5.662 ( -4.759 0.000 15.233) 15.959 5.840 ( 7.042 0.000 7.490) 10.280 5.945 ( 4.769 0.000 3.703) 6.038 6.153 ( 4.849 0.000 -6.407) 8.035 6.241 ( -14.375 0.000 0.714) 14.393 6.637 ( -1.681 0.000 3.150) 3.570 6.909 ( -1.166 0.000 -3.279) 3.480 7.082 ( 1.829 0.000 -2.469) 3.073 7.225 ( 8.574 0.000 -0.376) 8.583 7.341 ( 1.593 0.000 -0.464) 1.660 7.464 ( -0.393 0.000 -5.561) 5.575 7.661 ( -16.247 0.000 -9.669) 18.906 7.786 ( -4.750 0.000 -7.269) 8.683 8.162 ( -3.534 0.000 5.646) 6.660 8.362 ( -0.772 0.000 2.694) 2.802 8.594 ( 2.441 0.000 6.541) 6.981 8.701 ( 9.452 0.000 -3.000) 9.916 9.308 ( -14.492 0.000 0.665) 14.507 9.540 ( -7.411 0.000 -11.528) 13.705 11.047 ( 3.873 0.000 -3.119) 4.973 11.252 ( 1.141 0.000 -5.281) 5.403 11.872 ( 0.367 0.000 7.143) 7.152 12.098 ( 2.240 0.000 -0.415) 2.278 13.806 ( 3.038 0.000 3.070) 4.319 13.991 ( 2.893 0.000 -4.488) 5.339 14.655 ( 1.058 0.000 2.342) 2.570 14.707 ( 11.137 0.000 -6.726) 13.010 15.274 ( 1.142 0.000 -1.841) 2.166 15.341 ( -2.410 0.000 -0.720) 2.515 15.833 ( -0.223 0.000 -7.482) 7.485 15.844 ( 0.958 0.000 -4.680) 4.777 16.399 ( 2.761 0.000 5.137) 5.832 16.601 ( 16.798 0.000 2.974) 17.059 16.840 ( 1.595 0.000 -2.634) 3.079 16.864 ( -2.179 0.000 -1.199) 2.487 18.103 ( -17.030 0.000 -2.111) 17.161 18.191 ( -6.408 0.000 -1.401) 6.560 18.373 ( -0.746 0.000 -1.447) 1.628 18.445 ( -14.866 0.000 3.016) 15.169 27.883 ( 0.421 0.000 1.066) 1.146 27.920 ( -1.397 0.000 -0.304) 1.430 28.052 ( -1.784 0.000 -1.912) 2.615 28.286 ( -2.418 0.000 -5.846) 6.326 29.012 ( -0.143 0.000 0.304) 0.336 29.111 ( -1.820 0.000 -1.611) 2.431 29.489 ( -4.176 0.000 4.006) 5.787 29.814 ( 2.814 0.000 -9.442) 9.852 30.246 ( 4.056 0.000 8.900) 9.781 30.572 ( 1.418 0.000 3.792) 4.049 31.163 ( 5.326 0.000 0.330) 5.336 31.185 ( 20.933 0.000 -9.187) 22.860 31.559 ( -6.629 0.000 0.631) 6.659 31.823 ( -3.193 0.000 1.574) 3.559 32.624 ( 0.590 0.000 -4.308) 4.348 32.834 ( -19.703 0.000 13.332) 23.790 ======================= Grid point 227 (115/168) ======================= q-point: ( 0.00 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 5.809 10.491 5.503) 13.194 1.592 ( -6.739 8.829 -10.981) 15.620 2.013 ( -7.556 18.105 20.058) 28.058 2.670 ( 0.830 10.676 -5.834) 12.194 2.991 ( 4.220 1.759 1.590) 4.840 3.087 ( -14.055 6.129 17.231) 23.065 3.168 ( 0.608 -2.129 2.609) 3.422 3.241 ( 7.592 1.159 -6.356) 9.970 3.387 ( 5.490 0.493 12.014) 13.218 3.778 ( -1.883 0.023 -0.176) 1.891 4.060 ( 1.056 8.285 -3.959) 9.243 4.266 ( 7.657 -1.673 -2.607) 8.260 4.598 ( -2.977 -4.220 5.083) 7.246 4.860 ( 9.107 -7.741 -3.855) 12.559 5.094 ( 3.358 -9.244 5.520) 11.278 5.255 ( -1.479 -5.472 -0.575) 5.698 5.653 ( -3.374 0.796 9.412) 10.030 5.856 ( 1.171 3.986 11.163) 11.911 5.965 ( -0.953 -0.253 -3.951) 4.072 6.028 ( -6.341 0.000 1.602) 6.540 6.123 ( 8.012 2.794 9.287) 12.580 6.283 ( 0.408 7.774 -1.327) 7.896 6.641 ( 2.492 1.193 -0.241) 2.773 6.832 ( -4.773 1.397 -5.568) 7.465 7.119 ( -3.918 -5.085 -2.169) 6.776 7.133 ( -0.240 -3.724 -0.228) 3.739 7.369 ( -3.718 3.598 -0.535) 5.202 7.464 ( 5.607 4.211 -8.739) 11.205 7.546 ( 1.131 3.595 2.400) 4.468 7.648 ( -1.969 3.999 -7.541) 8.760 8.150 ( -1.957 -2.784 6.958) 7.745 8.360 ( 2.200 -1.895 -0.985) 3.067 8.646 ( 2.296 -3.311 4.006) 5.682 8.891 ( 3.440 1.168 -3.106) 4.779 9.000 ( -5.845 -4.707 1.114) 7.587 9.279 ( -4.274 -1.842 -9.238) 10.344 11.123 ( 2.746 3.692 0.224) 4.606 11.281 ( 1.472 6.236 -6.453) 9.093 11.886 ( -0.785 -5.549 6.524) 8.600 12.064 ( 1.272 -4.126 -2.104) 4.803 13.884 ( -2.736 3.424 3.218) 5.437 14.035 ( 2.232 4.064 -4.275) 6.306 14.601 ( -5.802 -3.123 1.784) 6.826 14.736 ( 4.767 -3.146 -5.515) 7.939 15.293 ( -4.424 2.129 -0.166) 4.913 15.341 ( 4.098 3.302 -1.861) 5.582 15.715 ( 0.542 -3.541 -2.500) 4.368 15.824 ( 0.992 0.535 -6.692) 6.786 16.504 ( 2.876 0.161 5.366) 6.090 16.639 ( -5.269 -1.843 -2.293) 6.035 16.792 ( -2.734 -1.902 -1.312) 3.580 16.869 ( 5.206 -2.712 -2.507) 6.383 17.965 ( -3.765 1.094 5.076) 6.414 18.126 ( 0.972 0.979 -2.572) 2.919 18.285 ( -7.945 -2.126 4.717) 9.481 18.395 ( 6.670 -1.294 -1.026) 6.871 27.891 ( -0.746 -0.223 0.267) 0.823 27.935 ( 0.872 0.706 -1.466) 1.846 28.034 ( 0.818 0.865 1.187) 1.681 28.178 ( -2.255 -0.038 -5.280) 5.741 29.084 ( 0.315 3.408 -0.996) 3.565 29.096 ( -0.175 4.024 -1.814) 4.418 29.481 ( -2.881 -0.349 4.602) 5.440 29.717 ( 0.784 -2.600 -7.464) 7.943 30.449 ( 1.647 5.042 7.140) 8.894 30.639 ( -3.450 4.796 -1.213) 6.031 31.231 ( -9.635 -2.452 3.381) 10.501 31.421 ( 8.691 -1.713 -6.348) 10.898 31.452 ( 11.292 2.589 4.508) 12.431 31.575 ( -17.670 8.396 -1.432) 19.616 32.574 ( -15.017 -7.185 10.292) 19.571 32.870 ( 26.459 -8.081 -4.442) 28.019 ======================= Grid point 228 (116/168) ======================= q-point: ( 0.10 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 19.046 9.613 -4.632) 21.832 1.700 ( 30.172 7.142 3.730) 31.230 2.185 ( -1.079 17.586 20.003) 26.656 2.608 ( 4.494 9.056 -11.209) 15.095 2.979 ( -13.123 2.947 6.956) 15.142 3.053 ( -0.298 -2.714 0.407) 2.760 3.202 ( 6.192 3.134 -4.228) 8.127 3.393 ( 10.717 -1.102 3.070) 11.202 3.677 ( 1.318 6.467 -3.781) 7.606 3.732 ( 13.378 4.148 9.155) 16.734 4.109 ( 4.296 4.734 1.266) 6.517 4.315 ( 8.208 -2.993 -11.105) 14.130 4.583 ( -5.214 -3.359 3.414) 7.080 4.884 ( 3.608 -6.448 -8.648) 11.375 5.182 ( -2.934 -12.268 -2.174) 12.800 5.263 ( 6.387 -7.457 4.369) 10.746 5.646 ( -10.357 0.063 6.484) 12.219 5.830 ( -6.275 6.749 -0.602) 9.235 5.970 ( 0.071 2.683 5.134) 5.793 6.025 ( -0.069 1.217 0.585) 1.352 6.257 ( 1.281 6.532 -1.991) 6.948 6.381 ( 11.530 0.574 3.233) 11.988 6.680 ( 1.621 2.446 0.938) 3.081 6.728 ( 0.049 -1.291 -4.242) 4.434 6.963 ( -5.882 -2.351 1.969) 6.634 7.185 ( -5.267 -4.541 2.369) 7.347 7.235 ( -6.371 2.319 -4.832) 8.326 7.436 ( -3.011 2.718 -2.574) 4.804 7.522 ( 6.389 7.035 0.780) 9.535 7.714 ( 7.737 3.866 -2.515) 9.007 8.214 ( 0.550 -1.338 6.388) 6.549 8.403 ( 4.778 -3.200 -6.267) 8.506 8.639 ( -7.109 -0.936 1.925) 7.425 8.844 ( 2.846 -7.178 4.264) 8.821 9.109 ( 2.058 4.052 -4.364) 6.301 9.223 ( 11.834 -4.126 1.175) 12.587 11.160 ( 0.944 4.113 0.898) 4.315 11.219 ( 0.593 6.100 -6.783) 9.141 11.935 ( -1.701 -5.683 5.163) 7.864 12.049 ( 0.913 -4.282 -3.683) 5.721 13.850 ( -6.216 2.971 4.187) 8.062 13.992 ( -1.981 3.214 -4.303) 5.724 14.486 ( -11.585 -2.722 2.700) 12.203 14.715 ( -0.950 -3.652 -3.232) 4.969 15.231 ( -3.044 2.844 1.132) 4.317 15.383 ( 3.065 3.178 -1.883) 4.800 15.716 ( 1.019 -2.777 0.419) 2.988 15.774 ( 1.768 -0.250 -5.133) 5.435 16.485 ( -9.319 -0.343 -0.811) 9.360 16.598 ( 0.406 -0.183 3.427) 3.456 16.714 ( -4.886 -1.952 0.956) 5.348 16.863 ( -2.232 -2.441 -2.779) 4.320 18.055 ( 6.806 -1.510 3.062) 7.614 18.185 ( 9.223 2.679 -1.412) 9.707 18.273 ( 0.217 -2.034 3.535) 4.084 18.532 ( 11.498 -1.226 -1.167) 11.621 27.898 ( 0.608 -1.050 0.899) 1.510 27.935 ( 1.610 -0.158 -1.517) 2.217 28.084 ( 0.681 0.999 1.428) 1.871 28.093 ( -0.366 0.813 -1.959) 2.153 29.063 ( -0.562 2.237 -0.710) 2.413 29.114 ( 2.733 3.701 -0.359) 4.614 29.497 ( -2.911 -0.350 5.976) 6.657 29.657 ( 1.295 -2.957 -5.519) 6.393 30.519 ( -3.954 3.121 3.757) 6.284 30.544 ( -5.518 2.913 1.467) 6.410 30.947 ( -21.764 4.268 3.314) 22.425 31.276 ( -10.441 2.506 -3.052) 11.163 31.596 ( 10.147 3.778 -1.269) 10.902 31.797 ( 15.827 1.991 4.568) 16.593 32.386 ( -12.649 -7.375 4.096) 15.204 33.241 ( 27.068 -8.376 -9.971) 30.037 ======================= Grid point 229 (117/168) ======================= q-point: ( 0.20 0.14 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 29.599 7.272 0.463) 30.483 2.231 ( 26.150 4.254 3.058) 26.670 2.404 ( 3.629 11.646 11.788) 16.963 2.610 ( 10.822 7.765 -3.570) 13.789 2.839 ( -9.331 3.307 0.135) 9.901 2.981 ( -0.068 10.490 -10.447) 14.805 3.253 ( 1.361 -10.719 2.958) 11.203 3.595 ( 7.950 -2.018 4.286) 9.255 3.736 ( 12.096 9.599 -2.718) 15.680 4.009 ( 2.878 11.313 7.557) 13.906 4.212 ( 13.129 0.302 -4.465) 13.871 4.290 ( 9.300 -2.382 -15.113) 17.904 4.525 ( -4.325 -1.406 0.976) 4.651 4.813 ( 1.016 -6.836 -8.171) 10.702 5.092 ( -2.343 -15.005 -4.734) 15.908 5.381 ( 2.910 -4.735 1.615) 5.788 5.516 ( -6.967 3.750 -1.725) 8.098 5.749 ( -6.987 0.538 3.390) 7.785 5.961 ( -2.114 2.870 -1.976) 4.075 6.027 ( -0.969 8.855 0.463) 8.920 6.256 ( 2.844 2.812 -2.256) 4.592 6.525 ( 10.327 3.361 -10.438) 15.063 6.662 ( -1.152 -7.690 -1.074) 7.850 6.822 ( 6.049 -0.711 7.479) 9.645 6.985 ( -1.501 -1.341 2.337) 3.084 7.050 ( -1.922 4.186 2.648) 5.313 7.166 ( -3.091 -3.946 4.946) 7.042 7.425 ( -0.121 6.230 0.823) 6.285 7.675 ( 5.916 3.223 4.576) 8.144 7.767 ( 3.308 2.593 -1.737) 4.548 8.277 ( -1.305 -1.726 0.079) 2.166 8.335 ( -0.454 -0.333 -2.459) 2.522 8.588 ( -1.074 -2.817 -2.880) 4.169 8.911 ( 1.687 -0.045 -5.283) 5.547 9.167 ( 5.722 -3.799 9.070) 11.377 9.462 ( 11.011 -2.882 3.339) 11.862 11.123 ( -0.774 4.705 -6.178) 7.804 11.207 ( 1.579 4.751 1.483) 5.221 11.941 ( -3.494 -5.427 2.456) 6.906 12.007 ( 0.186 -4.420 -5.009) 6.683 13.797 ( -7.255 1.449 4.713) 8.772 13.881 ( -5.238 3.520 -2.925) 6.956 14.314 ( -14.496 -2.001 4.277) 15.245 14.632 ( -5.527 -3.477 -2.203) 6.891 15.244 ( 1.575 3.266 2.896) 4.640 15.387 ( -0.008 3.328 -1.384) 3.605 15.750 ( 2.756 -1.866 0.046) 3.328 15.779 ( 3.049 -1.270 -0.329) 3.319 16.354 ( -7.150 -0.536 0.929) 7.230 16.508 ( -6.731 -1.776 -4.854) 8.487 16.742 ( -2.574 -1.462 4.596) 5.467 16.776 ( -3.569 -0.385 1.384) 3.847 18.210 ( 9.494 -2.734 1.343) 9.971 18.354 ( 9.524 0.658 0.885) 9.588 18.364 ( 8.181 1.381 2.426) 8.644 18.706 ( 11.686 -1.079 -1.344) 11.812 27.925 ( 1.476 -1.183 0.545) 1.968 27.946 ( 1.243 0.264 -1.193) 1.743 28.048 ( 0.609 0.298 -1.009) 1.216 28.167 ( 1.879 -0.045 4.761) 5.119 29.060 ( 0.550 2.946 0.381) 3.021 29.163 ( 3.490 3.144 0.105) 4.698 29.519 ( -3.565 -0.525 6.458) 7.395 29.637 ( 2.234 -2.288 -2.656) 4.157 30.386 ( -7.397 1.411 -4.250) 8.647 30.501 ( -15.220 0.456 12.210) 19.518 30.730 ( -6.565 10.052 -1.362) 12.083 31.101 ( -7.566 1.145 -1.668) 7.832 31.672 ( -1.077 -3.132 -2.887) 4.394 31.903 ( -0.421 8.663 -2.507) 9.028 32.462 ( 13.300 -9.535 7.155) 17.861 33.487 ( 21.011 -6.542 -12.794) 25.454 ======================= Grid point 230 (118/168) ======================= q-point: ( 0.30 0.14 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 16.153 1.021 -10.857) 19.490 2.486 ( 15.302 6.387 0.199) 16.582 2.625 ( 1.720 7.895 13.919) 16.094 2.701 ( -5.111 7.284 -1.452) 9.016 2.830 ( 5.062 9.522 -0.795) 10.813 2.975 ( 16.170 6.018 1.026) 17.284 3.319 ( 2.646 -12.248 3.592) 13.035 3.687 ( 0.683 -0.349 -0.798) 1.107 3.920 ( 12.252 12.815 -2.528) 17.909 4.021 ( -1.313 2.740 -1.571) 3.421 4.259 ( 3.445 -0.461 -7.248) 8.038 4.390 ( 11.125 2.559 -4.804) 12.385 4.516 ( 6.472 -0.708 -3.537) 7.409 4.768 ( 3.411 -4.618 -5.665) 8.066 5.028 ( 0.931 -13.465 -2.233) 13.680 5.364 ( -6.319 3.903 3.521) 8.220 5.476 ( 7.076 0.729 -6.538) 9.662 5.688 ( -2.320 -6.141 0.024) 6.564 5.932 ( 1.853 4.205 -0.754) 4.656 5.993 ( -4.178 10.343 1.486) 11.253 6.325 ( 6.931 -0.608 0.176) 6.960 6.470 ( 1.166 4.280 -11.470) 12.298 6.661 ( 2.952 -7.266 -2.469) 8.222 6.972 ( 1.465 -4.228 6.158) 7.612 7.005 ( 4.796 -1.536 -0.641) 5.077 7.135 ( 0.802 -0.816 6.820) 6.916 7.262 ( 3.477 1.104 7.944) 8.742 7.412 ( -1.820 7.053 0.387) 7.294 7.768 ( 0.301 3.089 2.797) 4.178 7.801 ( 0.477 1.645 1.692) 2.408 8.216 ( -1.190 -4.109 -0.780) 4.349 8.357 ( 0.531 2.609 1.421) 3.018 8.489 ( -4.320 -2.719 -7.282) 8.893 8.832 ( 1.615 3.835 -10.926) 11.692 9.359 ( 1.083 -8.459 9.873) 13.047 9.603 ( 3.446 -1.478 0.546) 3.789 11.048 ( 0.639 3.016 -5.783) 6.553 11.268 ( 2.309 3.701 3.252) 5.441 11.883 ( -3.445 -4.957 -1.940) 6.340 11.941 ( -2.186 -3.396 -3.796) 5.542 13.721 ( -4.820 0.641 0.965) 4.958 13.819 ( -4.009 2.814 4.573) 6.702 14.149 ( -13.503 -1.220 6.066) 14.854 14.505 ( -6.256 -2.957 -2.684) 7.422 15.317 ( 2.241 3.407 3.059) 5.098 15.364 ( -0.963 3.859 -0.421) 4.000 15.807 ( 4.383 -2.320 -0.726) 5.012 15.849 ( 3.408 -0.687 3.069) 4.637 16.276 ( -4.129 -1.738 0.294) 4.489 16.344 ( -5.332 -1.396 -5.736) 7.955 16.657 ( -7.192 0.378 2.223) 7.538 16.823 ( -0.716 -1.052 4.651) 4.822 18.377 ( 8.099 -3.174 2.682) 9.103 18.500 ( 8.490 -1.483 1.850) 8.815 18.548 ( 8.833 4.251 2.602) 10.142 18.852 ( 8.214 -0.848 -1.434) 8.382 27.934 ( 0.328 1.854 -1.123) 2.192 27.961 ( 1.563 -2.076 0.131) 2.601 28.085 ( 2.592 -1.026 2.043) 3.456 28.245 ( 0.928 -1.201 4.498) 4.747 29.092 ( 1.894 3.754 1.857) 4.596 29.222 ( 3.426 3.409 0.464) 4.855 29.531 ( -4.064 -0.662 6.196) 7.439 29.666 ( 2.988 -0.953 0.418) 3.164 30.210 ( -7.496 1.434 -5.201) 9.235 30.384 ( -15.062 1.649 11.359) 18.937 30.651 ( -2.203 8.213 -2.507) 8.866 31.016 ( -3.440 0.832 2.181) 4.157 31.503 ( -8.059 -5.082 -7.668) 12.230 31.890 ( 4.334 7.657 -7.402) 11.498 32.784 ( 11.138 -8.327 10.915) 17.679 33.625 ( 16.268 -5.215 -14.051) 22.120 ======================= Grid point 231 (119/168) ======================= q-point: ( 0.40 0.14 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.607 1.031 -2.433) 2.712 2.574 ( -3.147 5.259 1.040) 6.217 2.657 ( -6.398 8.334 -0.791) 10.537 2.724 ( 12.646 8.752 -5.475) 16.325 2.977 ( 9.425 3.381 7.007) 12.221 3.255 ( 6.716 6.430 7.770) 12.117 3.410 ( 4.397 -8.145 0.618) 9.276 3.673 ( 2.541 -2.684 -1.821) 4.120 3.934 ( -1.157 3.972 -6.401) 7.622 4.030 ( 2.444 8.023 -3.793) 9.205 4.245 ( -0.420 1.074 3.390) 3.581 4.463 ( 7.672 0.605 -7.635) 10.841 4.611 ( 9.798 -0.335 -5.184) 11.090 4.754 ( 1.943 -0.187 -4.938) 5.310 5.088 ( 4.209 -9.158 2.946) 10.500 5.340 ( -0.981 5.204 2.045) 5.677 5.525 ( 5.270 -0.111 -2.820) 5.979 5.694 ( 4.704 -9.797 -3.098) 11.301 5.954 ( -3.787 9.762 3.534) 11.052 6.015 ( 7.455 4.574 2.816) 9.189 6.342 ( -3.547 -1.506 -5.503) 6.718 6.458 ( 8.098 3.486 -0.932) 8.865 6.686 ( 1.844 -5.288 0.370) 5.613 6.947 ( -4.389 -3.917 -6.076) 8.457 7.081 ( -1.132 -5.732 7.514) 9.518 7.258 ( 2.836 -3.707 8.782) 9.945 7.372 ( 0.391 2.403 4.880) 5.454 7.408 ( 2.424 4.534 -1.326) 5.309 7.781 ( -0.379 4.124 0.931) 4.245 7.797 ( -1.718 2.024 0.605) 2.722 8.221 ( -2.927 -3.152 1.938) 4.718 8.293 ( -2.791 -3.346 -11.251) 12.065 8.392 ( 1.130 4.724 1.286) 5.025 8.733 ( 1.995 5.190 -10.365) 11.762 9.391 ( -5.202 -9.003 2.851) 10.782 9.588 ( -3.176 0.091 -2.676) 4.154 11.025 ( 3.163 1.197 -3.157) 4.626 11.331 ( 1.333 0.448 0.984) 1.717 11.814 ( 0.316 -3.198 -4.453) 5.491 11.865 ( -3.935 -1.689 -0.123) 4.284 13.708 ( 0.871 0.117 2.422) 2.576 13.839 ( -1.000 1.621 5.352) 5.681 14.032 ( -10.901 -1.212 7.357) 13.207 14.391 ( -2.879 -2.614 -3.819) 5.450 15.349 ( -0.712 3.858 1.680) 4.268 15.382 ( 1.449 4.735 1.558) 5.191 15.848 ( 1.851 -1.087 -1.263) 2.491 15.940 ( 3.845 -1.309 1.457) 4.315 16.191 ( -3.120 -1.700 -3.871) 5.254 16.256 ( -1.475 -1.577 -1.011) 2.384 16.598 ( -5.666 1.068 5.850) 8.214 16.842 ( -1.105 -1.266 1.469) 2.233 18.512 ( 3.972 -3.042 3.801) 6.283 18.656 ( 8.515 -1.708 0.785) 8.720 18.684 ( 3.479 3.980 4.118) 6.701 18.923 ( 3.002 -0.308 -1.763) 3.495 27.933 ( 0.437 1.285 -0.116) 1.362 27.980 ( 0.813 -1.624 -0.349) 1.849 28.159 ( 2.767 -2.055 2.984) 4.559 28.291 ( -0.554 -1.935 2.738) 3.398 29.160 ( 3.113 4.127 2.937) 5.946 29.273 ( 1.687 3.951 0.799) 4.369 29.536 ( -4.456 0.530 6.551) 7.941 29.734 ( 4.065 -0.492 1.114) 4.243 30.055 ( -4.033 1.441 -4.280) 6.054 30.298 ( -10.004 3.869 7.771) 13.246 30.590 ( -3.698 5.047 0.129) 6.258 31.029 ( -0.087 -1.607 3.544) 3.892 31.324 ( -1.645 -2.091 -8.113) 8.538 31.832 ( 0.650 4.766 -9.917) 11.022 33.025 ( 2.328 -6.749 11.955) 13.924 33.688 ( 12.831 -5.198 -14.809) 20.272 ======================= Grid point 232 (120/168) ======================= q-point: (-0.50 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -15.641 3.069 8.224) 17.936 2.435 ( -17.354 10.930 4.386) 20.973 2.649 ( 11.777 3.874 -7.423) 14.451 2.860 ( 9.048 3.231 -3.279) 10.152 3.153 ( 4.224 0.457 4.590) 6.255 3.350 ( -2.404 8.062 4.350) 9.470 3.452 ( 0.919 -3.765 -0.417) 3.898 3.695 ( 1.930 -2.538 -7.491) 8.141 3.854 ( -1.151 -0.256 0.716) 1.380 3.977 ( -2.622 7.347 -3.854) 8.701 4.309 ( -0.535 2.557 6.256) 6.780 4.452 ( 0.852 1.500 -6.061) 6.302 4.667 ( 2.123 2.920 -3.566) 5.075 4.701 ( 0.937 0.618 -7.329) 7.414 5.156 ( -2.423 -5.852 4.715) 7.896 5.356 ( 0.468 6.353 0.564) 6.395 5.544 ( -0.305 -4.780 -1.965) 5.177 5.724 ( 5.415 -11.441 -6.777) 14.357 5.966 ( -2.624 9.745 7.096) 12.337 6.212 ( -6.806 0.720 -2.896) 7.432 6.235 ( 11.171 4.483 7.490) 14.177 6.524 ( -0.324 4.548 -1.572) 4.823 6.720 ( 1.030 -7.273 1.389) 7.476 6.769 ( -6.686 -8.998 -5.115) 12.322 7.121 ( -4.810 -3.159 8.229) 10.042 7.364 ( -3.333 -1.817 6.513) 7.539 7.422 ( 1.352 1.005 0.655) 1.807 7.461 ( 7.079 -2.367 2.032) 7.736 7.753 ( -5.139 3.418 0.911) 6.238 7.823 ( 7.002 1.008 -4.522) 8.396 8.051 ( -6.849 -0.172 -4.115) 7.992 8.258 ( 3.562 -3.179 -5.194) 7.055 8.430 ( 2.851 7.535 -1.437) 8.183 8.679 ( 4.063 4.752 -6.331) 8.898 9.333 ( -3.822 -6.587 2.600) 8.047 9.471 ( -5.334 -0.176 -4.159) 6.766 11.076 ( 4.887 -0.302 0.556) 4.928 11.303 ( -0.874 -2.562 -6.048) 6.627 11.812 ( -3.716 -0.898 0.759) 3.897 11.819 ( 4.097 -0.620 -0.870) 4.234 13.784 ( 2.634 -1.217 3.379) 4.454 13.877 ( 1.500 2.491 -0.939) 3.056 14.005 ( -3.901 -2.372 10.951) 11.865 14.336 ( 2.789 -2.416 -5.335) 6.487 15.364 ( -0.458 3.951 2.127) 4.511 15.410 ( 0.267 5.797 1.127) 5.912 15.839 ( -0.614 0.004 -1.154) 1.308 15.977 ( 2.832 -0.799 -4.369) 5.268 16.142 ( -1.178 -0.977 1.565) 2.189 16.230 ( -0.340 -2.148 -1.534) 2.661 16.616 ( -2.586 0.509 8.379) 8.784 16.833 ( 0.201 -1.178 -1.450) 1.879 18.583 ( -1.120 -2.613 4.351) 5.198 18.720 ( -0.262 2.219 0.034) 2.235 18.795 ( 3.409 -1.918 2.888) 4.862 18.912 ( -0.542 0.947 -2.066) 2.336 27.941 ( -0.131 -0.059 0.769) 0.782 27.980 ( 0.445 -0.321 -0.972) 1.116 28.232 ( 1.689 -3.207 2.987) 4.697 28.293 ( -1.073 -1.879 0.453) 2.210 29.242 ( 1.553 3.725 2.655) 4.831 29.291 ( 1.020 4.822 0.253) 4.935 29.539 ( -5.087 2.777 6.893) 9.006 29.795 ( 4.866 -1.746 -3.309) 6.138 30.026 ( 2.147 2.425 2.746) 4.246 30.226 ( -5.152 6.053 -0.315) 7.955 30.557 ( -5.580 1.646 8.183) 10.041 31.038 ( 2.386 -4.273 -6.467) 8.110 31.309 ( 3.154 0.907 3.512) 4.807 31.687 ( -3.242 2.765 -11.324) 12.099 33.131 ( -6.042 -4.475 11.987) 14.150 33.694 ( 10.070 -6.736 -15.715) 19.843 ======================= Grid point 233 (121/168) ======================= q-point: (-0.40 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -20.368 8.757 10.133) 24.377 2.230 ( -20.398 8.041 12.710) 25.343 2.761 ( 10.499 0.189 -5.642) 11.921 2.918 ( 5.878 0.874 -6.619) 8.895 3.201 ( -8.234 5.147 5.196) 11.013 3.333 ( -2.739 4.167 -0.441) 5.006 3.416 ( -2.423 -1.354 1.138) 3.000 3.583 ( -1.675 3.994 -8.707) 9.725 3.834 ( -9.042 1.782 1.041) 9.275 3.914 ( -1.118 -2.070 2.407) 3.365 4.212 ( -15.184 1.832 -3.525) 15.695 4.428 ( 0.481 1.689 0.996) 2.019 4.592 ( -1.488 4.514 -4.623) 6.630 4.657 ( -1.374 4.100 -2.692) 5.094 5.135 ( -6.620 -5.462 5.896) 10.413 5.352 ( 0.398 6.718 -3.923) 7.790 5.479 ( -6.114 -6.747 2.142) 9.354 5.708 ( 2.832 -10.157 -7.595) 12.994 5.988 ( -6.732 8.949 4.904) 12.225 6.042 ( -9.581 0.789 -0.054) 9.614 6.342 ( -3.720 8.109 -4.806) 10.134 6.523 ( 0.611 -2.035 6.003) 6.368 6.647 ( -7.049 -10.938 0.983) 13.050 6.785 ( 7.911 -4.078 -1.548) 9.033 7.130 ( -4.954 -2.122 7.390) 9.147 7.366 ( -5.159 0.284 5.563) 7.593 7.412 ( 0.335 -2.193 -3.519) 4.160 7.602 ( 0.442 1.318 -4.659) 4.862 7.643 ( 2.187 -0.252 1.846) 2.873 7.879 ( 4.781 -2.432 -1.462) 5.560 8.040 ( 3.047 -1.615 5.342) 6.359 8.263 ( 6.439 -1.155 -7.808) 10.186 8.434 ( 0.377 8.457 -1.410) 8.582 8.715 ( 8.589 4.534 -7.300) 12.150 9.355 ( -2.337 -3.077 3.772) 5.400 9.385 ( 0.628 -3.586 3.598) 5.118 11.145 ( 0.265 -3.268 -2.231) 3.966 11.236 ( 4.714 -0.296 -3.469) 5.860 11.753 ( -3.790 -0.433 -0.410) 3.837 11.896 ( 4.995 -0.514 0.345) 5.033 13.781 ( -3.104 -0.433 -0.719) 3.215 13.944 ( 7.027 2.001 -0.919) 7.364 14.134 ( 4.231 -2.876 8.833) 10.207 14.362 ( 9.153 -1.979 -6.509) 11.405 15.371 ( -1.449 3.714 1.581) 4.289 15.419 ( 0.197 5.921 -0.336) 5.934 15.829 ( -0.335 0.741 1.932) 2.096 15.954 ( 2.116 0.176 -5.464) 5.862 16.163 ( -0.386 -1.166 3.241) 3.466 16.203 ( -0.504 -2.089 -2.082) 2.992 16.697 ( 0.081 -0.285 8.399) 8.404 16.824 ( 2.391 -0.777 -3.441) 4.262 18.570 ( -6.410 -1.962 3.600) 7.609 18.674 ( -4.569 0.982 -0.936) 4.766 18.769 ( -6.517 -0.660 -1.021) 6.629 18.923 ( 2.040 -1.068 -0.571) 2.372 27.935 ( -1.361 -0.438 0.375) 1.478 27.982 ( 0.839 0.609 -0.651) 1.224 28.236 ( -2.978 -2.498 -0.031) 3.887 28.313 ( 2.260 -2.988 0.903) 3.854 29.225 ( -3.388 4.654 0.013) 5.756 29.343 ( 3.502 6.059 -1.415) 7.140 29.535 ( -4.912 2.263 6.701) 8.611 29.842 ( 7.347 -0.783 -4.201) 8.499 30.097 ( -2.343 4.406 -3.168) 5.911 30.178 ( 5.037 5.837 3.666) 8.537 30.626 ( -3.311 -1.270 17.002) 17.367 30.987 ( 5.315 -3.508 -11.577) 13.213 31.442 ( 2.794 0.114 8.640) 9.081 31.487 ( -5.075 1.797 -10.809) 12.076 33.122 ( -12.034 -2.925 11.839) 17.133 33.633 ( 5.461 -9.043 -17.288) 20.260 ======================= Grid point 234 (122/168) ======================= q-point: (-0.30 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -21.072 13.002 11.320) 27.225 2.046 ( -25.368 5.797 16.650) 30.893 2.800 ( -2.255 -2.481 -0.938) 3.482 2.914 ( 4.153 -0.350 -7.223) 8.339 3.083 ( -12.560 14.080 8.217) 20.580 3.165 ( -10.079 -0.511 -7.124) 12.353 3.381 ( -5.778 10.094 -10.788) 15.864 3.501 ( -4.346 -3.047 6.336) 8.265 3.692 ( -13.624 -3.714 6.933) 15.731 3.783 ( -15.257 0.536 0.196) 15.268 4.028 ( -0.256 -1.226 -1.172) 1.716 4.394 ( -5.265 2.620 -1.170) 5.996 4.549 ( -1.267 1.433 2.353) 3.032 4.613 ( 0.858 4.866 -3.879) 6.282 5.079 ( -7.392 -6.035 2.421) 9.844 5.276 ( -1.651 1.876 -3.101) 3.982 5.468 ( -2.948 -1.171 7.304) 7.963 5.630 ( -0.987 -5.312 -7.686) 9.395 5.822 ( -10.306 3.006 1.398) 10.827 6.004 ( -5.154 8.204 5.743) 11.263 6.244 ( 0.617 11.250 -5.954) 12.744 6.515 ( -2.535 -14.063 -1.872) 14.412 6.538 ( -12.527 -7.343 7.410) 16.302 6.888 ( 5.456 2.159 -2.036) 6.211 7.144 ( -1.335 -1.592 3.290) 3.891 7.293 ( -7.310 -1.311 0.884) 7.479 7.401 ( 0.672 -1.831 -1.157) 2.268 7.474 ( -3.140 3.511 -3.528) 5.885 7.813 ( 8.930 -0.874 0.533) 8.989 7.952 ( 3.138 -4.157 3.294) 6.162 8.144 ( 3.103 -3.429 -1.561) 4.882 8.281 ( 5.200 0.733 -3.368) 6.239 8.433 ( -0.592 5.514 2.273) 5.993 8.726 ( 6.236 5.392 -11.016) 13.759 9.373 ( -0.846 -5.764 5.244) 7.838 9.524 ( 3.987 -4.969 7.747) 10.029 11.077 ( 0.786 -2.056 -6.389) 6.757 11.325 ( 4.346 1.118 0.821) 4.562 11.702 ( -1.961 -1.275 0.850) 2.488 11.969 ( 4.265 -1.283 -0.576) 4.491 13.734 ( -0.550 1.532 -1.036) 1.929 14.021 ( 5.630 2.578 -3.659) 7.192 14.317 ( 8.001 -3.707 5.509) 10.397 14.466 ( 12.978 -0.980 -6.852) 14.708 15.364 ( -1.102 3.083 1.005) 3.425 15.405 ( 0.092 4.879 -2.287) 5.389 15.868 ( 1.146 -0.874 -0.062) 1.442 15.938 ( 2.635 1.220 -1.460) 3.249 16.162 ( -0.834 -1.897 -0.150) 2.077 16.215 ( 1.420 -0.609 3.280) 3.626 16.791 ( 1.193 -1.068 4.786) 5.047 16.834 ( 3.867 0.068 -2.790) 4.769 18.469 ( -9.533 -1.016 1.396) 9.688 18.555 ( -7.895 -1.649 -2.498) 8.444 18.632 ( -9.606 1.272 0.249) 9.693 18.883 ( -4.946 -3.638 -4.210) 7.445 27.919 ( -0.805 1.078 0.203) 1.361 27.980 ( -0.207 0.394 -0.832) 0.944 28.175 ( -3.275 -1.666 -1.610) 4.012 28.347 ( 1.304 -3.562 -0.350) 3.810 29.169 ( -2.630 5.937 -0.919) 6.558 29.330 ( 0.046 8.269 -5.428) 9.891 29.537 ( -3.817 -0.562 4.580) 5.988 29.925 ( 8.024 3.597 -7.096) 11.300 30.009 ( -0.302 3.091 -0.192) 3.112 30.351 ( 6.265 6.029 7.555) 11.518 30.857 ( 5.796 -4.111 17.714) 19.086 30.965 ( 9.065 -2.868 -8.648) 12.853 31.296 ( -4.270 1.668 -7.727) 8.985 31.568 ( 0.107 -0.255 8.043) 8.048 33.032 ( -15.775 -3.767 10.673) 19.415 33.437 ( -5.031 -9.792 -18.639) 21.647 ======================= Grid point 235 (123/168) ======================= q-point: (-0.20 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -26.253 8.056 12.900) 30.340 1.867 ( -20.846 15.526 19.373) 32.418 2.615 ( -21.238 -1.526 -5.249) 21.931 2.847 ( -3.919 -1.000 -7.490) 8.513 2.963 ( -3.320 2.632 -4.718) 6.341 2.976 ( -20.095 15.347 23.008) 34.186 3.156 ( -0.214 9.297 -14.174) 16.952 3.388 ( -13.194 -4.725 6.370) 15.394 3.585 ( -9.566 -4.843 4.870) 11.776 3.697 ( -4.707 2.105 4.941) 7.141 4.050 ( 4.263 -1.951 -0.514) 4.716 4.283 ( -6.995 4.818 0.251) 8.497 4.563 ( -2.146 -0.611 2.530) 3.374 4.624 ( 6.315 -3.368 -2.533) 7.592 5.005 ( -1.781 -4.737 0.073) 5.061 5.251 ( -2.203 -0.148 2.562) 3.382 5.502 ( -0.111 -2.546 2.442) 3.530 5.591 ( 1.642 4.447 3.417) 5.844 5.775 ( -1.742 2.444 6.903) 7.527 5.974 ( -6.854 7.701 5.848) 11.852 6.233 ( 5.193 8.576 -4.338) 10.924 6.368 ( -10.978 -7.740 0.338) 13.437 6.532 ( 0.937 -5.873 3.242) 6.773 6.924 ( 1.945 1.140 0.032) 2.255 7.145 ( 0.257 -1.001 -1.348) 1.699 7.196 ( -4.472 -0.340 -1.581) 4.756 7.344 ( -3.086 0.904 -2.922) 4.345 7.470 ( 1.723 -0.812 1.129) 2.215 7.858 ( -0.601 -3.826 -3.356) 5.125 7.978 ( -1.220 3.626 -9.029) 9.806 8.110 ( -1.706 -6.783 0.262) 6.999 8.342 ( 1.343 1.175 2.875) 3.384 8.481 ( 2.400 1.586 3.166) 4.278 8.708 ( 5.169 5.812 -5.805) 9.705 9.383 ( -5.794 -6.728 2.928) 9.349 9.600 ( -1.942 -7.512 0.133) 7.760 11.048 ( 3.164 0.458 -4.137) 5.228 11.352 ( 1.483 4.211 -3.399) 5.611 11.731 ( 0.635 -3.847 5.328) 6.602 12.021 ( 3.427 -2.539 -0.788) 4.337 13.760 ( 3.500 3.529 1.384) 5.159 14.043 ( 4.094 3.700 -5.359) 7.692 14.496 ( 8.318 -4.081 2.368) 9.563 14.594 ( 12.265 -0.618 -6.443) 13.868 15.344 ( -1.522 3.415 -1.261) 3.946 15.387 ( 0.335 2.844 -1.356) 3.168 15.828 ( -0.553 -3.287 -5.249) 6.218 15.951 ( 1.223 0.670 -5.644) 5.813 16.262 ( 8.838 -1.331 7.850) 11.896 16.295 ( 3.123 -0.390 4.558) 5.539 16.828 ( 2.697 -0.746 -2.184) 3.550 16.877 ( 1.182 -0.134 0.797) 1.432 18.315 ( -9.708 -1.366 -1.771) 9.962 18.382 ( -10.908 -1.456 -1.462) 11.101 18.472 ( -9.316 0.986 -1.402) 9.472 18.665 ( -15.393 -3.609 -3.207) 16.133 27.918 ( 0.343 2.465 0.203) 2.497 27.954 ( -1.475 0.503 -1.188) 1.959 28.103 ( -2.824 -1.180 -2.251) 3.800 28.337 ( -0.423 -2.986 -2.812) 4.124 29.125 ( -1.127 6.482 -1.636) 6.780 29.239 ( -2.146 7.724 -6.230) 10.152 29.513 ( -4.089 -0.739 2.755) 4.986 29.876 ( 2.114 0.765 -9.476) 9.739 30.141 ( 7.026 5.993 6.328) 11.195 30.531 ( 4.832 6.736 7.831) 11.404 30.973 ( 12.852 -5.285 -10.147) 17.207 31.156 ( 2.446 2.089 -4.757) 5.743 31.373 ( 17.974 -4.088 17.660) 25.527 31.628 ( -2.106 0.652 7.126) 7.459 32.815 ( -22.117 -10.509 -2.340) 24.598 33.086 ( -17.292 -2.621 -4.076) 17.958 ======================= Grid point 236 (124/168) ======================= q-point: (-0.10 0.14 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -22.654 9.072 11.698) 27.062 1.808 ( -14.281 17.388 14.400) 26.714 2.133 ( -22.933 4.775 -6.405) 24.285 2.713 ( -4.359 7.088 0.464) 8.334 2.922 ( 6.224 6.073 -6.568) 10.897 3.012 ( -14.300 8.806 27.316) 32.066 3.094 ( 4.866 4.144 -3.080) 7.095 3.290 ( -9.095 -5.217 5.152) 11.682 3.421 ( -12.665 -2.622 0.975) 12.970 3.729 ( 2.152 0.866 3.519) 4.215 4.138 ( 2.138 4.655 0.640) 5.162 4.179 ( -0.201 0.906 -4.043) 4.148 4.574 ( -1.578 -2.031 4.481) 5.167 4.726 ( 8.633 -9.503 -0.283) 12.842 5.022 ( 1.608 -6.387 1.650) 6.790 5.257 ( -0.599 -2.364 2.041) 3.180 5.572 ( 1.833 1.127 6.000) 6.374 5.706 ( 1.911 4.184 9.869) 10.889 5.883 ( 3.841 -0.298 6.467) 7.527 5.969 ( -1.598 4.634 7.313) 8.804 6.195 ( -9.828 -3.014 -1.909) 10.456 6.275 ( 3.330 8.068 -1.866) 8.925 6.597 ( 2.429 -0.973 1.765) 3.157 6.950 ( -1.120 2.061 -1.366) 2.715 7.088 ( -1.145 0.137 -3.485) 3.671 7.207 ( 8.380 -1.298 -2.212) 8.764 7.275 ( -0.568 -4.139 -1.171) 4.338 7.503 ( 2.077 2.497 -1.654) 3.644 7.695 ( -13.708 0.553 -5.800) 14.895 7.798 ( -3.322 2.131 -9.007) 9.834 8.111 ( -2.161 -3.320 4.949) 6.339 8.367 ( -0.770 0.317 0.382) 0.916 8.560 ( 3.447 -2.298 2.280) 4.728 8.771 ( 6.112 5.218 0.878) 8.085 9.233 ( -12.571 -7.378 -2.837) 14.850 9.474 ( -7.247 -4.862 -6.774) 11.048 11.074 ( 3.831 2.654 -1.400) 4.867 11.323 ( 1.738 5.838 -5.548) 8.239 11.813 ( 0.157 -5.126 6.915) 8.609 12.056 ( 2.165 -3.742 -1.056) 4.451 13.847 ( 2.873 3.803 2.904) 5.581 14.040 ( 3.541 4.436 -5.165) 7.674 14.612 ( 2.568 -3.839 1.546) 4.870 14.691 ( 9.334 -1.684 -6.537) 11.519 15.313 ( 0.880 3.710 -1.883) 4.253 15.361 ( -2.226 1.867 -0.976) 3.065 15.757 ( -0.235 -4.081 -5.120) 6.551 15.888 ( 0.887 0.898 -6.910) 7.024 16.396 ( 3.383 -0.188 4.735) 5.822 16.548 ( 13.996 -4.050 4.130) 15.144 16.839 ( 1.675 -0.480 -2.052) 2.692 16.858 ( -2.441 -0.640 -2.065) 3.261 18.096 ( -13.923 -0.326 -1.502) 14.008 18.204 ( -7.965 1.003 -0.851) 8.073 18.362 ( -1.225 -0.988 -1.700) 2.316 18.418 ( -15.013 -2.153 4.108) 15.714 27.915 ( -1.759 0.444 -0.717) 1.951 27.930 ( 0.925 2.602 -0.177) 2.767 28.043 ( -1.425 -0.648 -1.656) 2.279 28.272 ( -1.922 -1.492 -4.865) 5.440 29.095 ( 0.092 6.118 -2.097) 6.468 29.147 ( -2.110 4.659 -3.374) 6.127 29.486 ( -3.444 -0.398 3.264) 4.762 29.796 ( 1.134 -1.412 -8.719) 8.905 30.316 ( 4.898 6.044 6.945) 10.429 30.652 ( 0.656 7.225 3.904) 8.238 31.124 ( 17.361 -4.754 -5.800) 18.912 31.188 ( 7.698 1.619 -0.621) 7.891 31.537 ( -5.946 -1.690 0.916) 6.249 31.888 ( 2.159 5.244 2.668) 6.268 32.416 ( -5.761 -14.981 2.233) 16.205 32.860 ( -16.586 -0.925 7.423) 18.195 ======================= Grid point 237 (125/168) ======================= q-point: ( 0.00 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 3.454 13.235 4.228) 14.317 1.784 ( -3.866 8.231 -8.522) 12.463 2.394 ( -4.406 16.067 18.468) 24.872 2.845 ( -4.848 2.060 5.373) 7.525 3.021 ( -4.658 2.610 -6.530) 8.435 3.142 ( 6.496 1.607 1.265) 6.811 3.186 ( 6.231 -2.345 -1.298) 6.783 3.322 ( 2.040 7.594 -4.260) 8.943 3.432 ( 2.788 7.169 16.595) 18.291 3.893 ( -1.029 8.521 1.068) 8.649 4.106 ( 1.996 -5.065 0.521) 5.469 4.242 ( 1.181 0.259 -0.345) 1.257 4.569 ( -3.798 2.095 4.345) 6.139 4.725 ( 8.894 -4.411 3.485) 10.521 4.948 ( 1.953 -3.317 -0.236) 3.856 5.086 ( -2.090 -9.500 -4.171) 10.584 5.679 ( -6.252 1.941 11.036) 12.832 5.894 ( -0.281 -0.396 6.221) 6.240 5.963 ( 4.673 0.204 6.791) 8.246 6.039 ( -2.836 -0.181 -2.315) 3.666 6.158 ( 0.887 0.847 12.006) 12.068 6.387 ( -1.181 0.591 -0.036) 1.321 6.714 ( 3.972 5.251 -3.505) 7.459 6.872 ( -5.787 3.370 -6.390) 9.257 7.035 ( 1.901 -4.818 -1.968) 5.541 7.055 ( -4.265 -0.957 -2.530) 5.050 7.435 ( 0.679 2.723 3.158) 4.225 7.532 ( 3.618 1.228 0.079) 3.822 7.624 ( -1.035 3.515 -0.409) 3.687 7.723 ( 2.929 2.429 -7.816) 8.693 8.128 ( -0.774 1.479 4.219) 4.537 8.313 ( 0.754 -2.368 -2.492) 3.520 8.564 ( 3.611 -3.664 0.952) 5.231 8.801 ( -8.181 -8.745 -7.936) 14.366 8.988 ( 5.306 3.189 3.703) 7.213 9.234 ( -3.428 -2.749 -5.905) 7.360 11.224 ( 1.617 5.803 2.820) 6.652 11.427 ( 2.458 6.758 -6.382) 9.615 11.749 ( -1.372 -6.639 6.142) 9.148 11.953 ( 2.004 -6.217 -3.680) 7.497 13.984 ( -3.070 5.914 2.869) 7.255 14.140 ( 1.463 5.427 -5.028) 7.542 14.515 ( -4.625 -4.674 1.689) 6.789 14.648 ( 3.338 -5.052 -5.595) 8.244 15.357 ( -3.535 3.783 -0.143) 5.180 15.432 ( 3.815 5.200 -2.210) 6.817 15.639 ( 0.177 -3.616 -1.409) 3.885 15.804 ( 1.575 -2.636 -7.561) 8.160 16.512 ( 3.501 0.700 4.517) 5.758 16.597 ( -1.407 -1.921 0.372) 2.409 16.745 ( -3.789 -2.248 -1.863) 4.784 16.804 ( 0.808 -3.282 -1.841) 3.849 18.003 ( -5.135 2.552 4.687) 7.406 18.147 ( 0.914 0.610 -1.073) 1.536 18.242 ( -6.586 -1.497 3.352) 7.540 18.355 ( 6.369 -2.413 -1.324) 6.939 27.897 ( -0.942 0.682 -0.398) 1.229 27.936 ( 0.076 -0.334 -2.234) 2.260 28.056 ( 0.888 1.051 1.483) 2.023 28.163 ( -1.339 -1.481 -3.634) 4.146 29.153 ( -1.792 4.123 -0.050) 4.496 29.231 ( 0.427 6.976 -5.051) 8.623 29.462 ( -1.957 -1.356 2.725) 3.619 29.650 ( -0.878 -3.700 -6.971) 7.941 30.573 ( 1.626 6.476 5.204) 8.466 30.751 ( -6.417 4.989 -2.737) 8.577 31.169 ( -5.243 -2.879 3.973) 7.181 31.342 ( 10.689 -4.994 -4.266) 12.546 31.579 ( 7.816 8.633 6.607) 13.390 31.794 ( -14.019 11.955 -3.056) 18.676 32.373 ( -3.387 -11.360 10.718) 15.981 32.657 ( 13.941 -11.817 -3.256) 18.563 ======================= Grid point 238 (126/168) ======================= q-point: ( 0.10 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 17.940 11.071 -1.796) 21.157 1.882 ( 24.262 9.028 1.477) 25.929 2.550 ( -2.628 14.378 15.893) 21.592 2.800 ( -0.005 8.146 -4.155) 9.145 2.945 ( -2.594 -5.591 4.187) 7.451 3.085 ( -6.919 7.031 -1.957) 10.057 3.289 ( 5.606 2.615 -3.011) 6.880 3.392 ( 13.958 1.442 -8.322) 16.315 3.759 ( 10.482 3.104 6.357) 12.646 3.898 ( 11.019 7.017 0.892) 13.094 4.168 ( 1.719 -0.414 1.996) 2.667 4.243 ( 3.090 -2.416 -5.048) 6.393 4.548 ( -5.480 1.834 4.204) 7.146 4.835 ( 4.589 1.499 -6.053) 7.743 4.931 ( -6.066 -9.620 -1.507) 11.473 5.062 ( 5.729 -10.328 1.390) 11.893 5.682 ( -8.635 3.032 9.466) 13.167 5.918 ( -7.620 1.382 -1.274) 7.848 5.970 ( 3.572 -0.361 2.278) 4.252 6.088 ( 3.068 1.272 2.403) 4.100 6.352 ( 5.302 -0.869 8.906) 10.401 6.370 ( 0.300 2.197 -0.451) 2.263 6.718 ( -2.969 3.147 -6.790) 8.051 6.774 ( 5.510 1.671 0.833) 5.817 6.916 ( -4.707 -0.885 -2.694) 5.495 7.039 ( -5.505 -6.497 0.507) 8.531 7.354 ( -9.183 6.481 0.317) 11.244 7.497 ( -2.907 2.879 -2.916) 5.024 7.658 ( 6.496 5.602 1.483) 8.706 7.802 ( 9.537 3.318 -4.172) 10.925 8.203 ( 2.376 0.821 5.295) 5.862 8.328 ( 4.123 -3.573 -5.599) 7.818 8.596 ( -3.895 -3.011 -2.702) 5.616 8.695 ( 5.445 -7.082 4.572) 10.035 9.118 ( 1.896 -2.299 -5.059) 5.872 9.178 ( 8.222 -0.187 2.412) 8.571 11.270 ( 0.083 6.102 2.985) 6.794 11.373 ( 0.914 7.938 -7.677) 11.080 11.789 ( -2.109 -7.513 5.574) 9.590 11.931 ( 1.341 -6.662 -4.960) 8.413 13.936 ( -7.718 4.999 4.272) 10.139 14.076 ( -3.395 4.164 -3.768) 6.562 14.419 ( -9.954 -3.157 2.413) 10.718 14.614 ( -1.336 -5.720 -3.033) 6.611 15.316 ( -2.062 5.078 1.552) 5.696 15.467 ( 3.545 4.704 -2.703) 6.481 15.647 ( 0.503 -3.875 1.956) 4.370 15.748 ( 2.227 -2.322 -6.813) 7.534 16.482 ( -8.625 0.254 -0.919) 8.677 16.586 ( -2.060 -1.179 0.327) 2.397 16.670 ( -3.272 -1.562 3.208) 4.841 16.796 ( -1.171 -3.731 -0.968) 4.029 18.045 ( 3.833 0.714 3.388) 5.165 18.204 ( 3.030 -2.422 2.752) 4.756 18.263 ( 8.016 2.875 -0.117) 8.517 18.490 ( 11.678 -2.748 -1.266) 12.063 27.887 ( -0.388 0.036 0.513) 0.645 27.929 ( 1.353 -0.397 -0.935) 1.692 28.097 ( 1.253 0.059 2.570) 2.860 28.103 ( -1.067 0.197 -3.087) 3.273 29.136 ( -0.961 4.682 1.105) 4.906 29.214 ( 2.182 5.328 -1.946) 6.077 29.474 ( -2.244 -2.000 4.666) 5.551 29.581 ( 0.420 -4.161 -4.071) 5.836 30.591 ( -7.387 3.361 0.199) 8.118 30.613 ( -8.695 3.150 4.500) 10.284 31.054 ( -6.789 5.785 1.120) 8.990 31.367 ( -11.172 5.720 -3.389) 13.000 31.576 ( 6.086 -4.066 -1.398) 7.451 31.972 ( 18.253 11.862 6.142) 22.619 32.190 ( -15.818 -9.418 0.165) 18.410 33.006 ( 26.271 -13.688 -5.999) 30.224 ======================= Grid point 239 (127/168) ======================= q-point: ( 0.20 0.29 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 25.281 9.544 -1.404) 27.059 2.347 ( 26.736 5.902 2.870) 27.530 2.612 ( -1.406 6.689 2.728) 7.360 2.834 ( 4.427 11.453 3.666) 12.815 2.958 ( -3.566 7.587 -2.746) 8.822 3.021 ( -0.182 -6.104 9.449) 11.250 3.222 ( 1.726 7.146 -13.983) 15.798 3.556 ( 13.239 -2.521 -2.665) 13.737 3.904 ( 9.736 4.357 -3.476) 11.218 4.144 ( 4.149 -2.099 -9.427) 10.512 4.210 ( 11.075 -0.980 3.538) 11.668 4.293 ( 7.603 5.926 2.550) 9.972 4.500 ( -2.704 0.752 0.463) 2.845 4.751 ( -2.431 -0.236 -7.225) 7.627 4.841 ( -2.205 -5.280 -1.382) 5.886 5.191 ( 7.259 -11.638 0.958) 13.750 5.615 ( -9.526 5.498 4.277) 11.801 5.774 ( -7.019 1.931 -2.698) 7.764 6.012 ( 1.196 1.478 -3.305) 3.813 6.179 ( 5.993 0.549 3.520) 6.972 6.311 ( -5.036 5.776 -1.303) 7.773 6.484 ( -0.465 -3.407 1.557) 3.775 6.645 ( 4.205 2.173 -6.817) 8.299 6.836 ( -1.467 0.362 1.169) 1.911 6.901 ( 2.699 -4.089 0.156) 4.902 7.028 ( 3.078 -6.093 10.699) 12.691 7.204 ( -5.025 7.371 -1.461) 9.040 7.512 ( 2.484 2.121 1.332) 3.528 7.791 ( 5.066 6.123 3.194) 8.565 7.837 ( 3.839 3.629 -6.364) 8.271 8.227 ( -1.469 -1.706 -5.282) 5.742 8.348 ( 4.112 1.141 1.079) 4.401 8.525 ( -2.550 -2.596 -1.931) 4.119 8.886 ( 4.816 -4.391 9.035) 11.140 9.072 ( 4.831 -2.635 -8.234) 9.903 9.381 ( 9.112 -5.062 4.280) 11.268 11.263 ( -1.799 7.991 -5.762) 10.014 11.321 ( 0.703 5.803 0.704) 5.888 11.804 ( -2.748 -7.048 3.111) 8.179 11.882 ( 0.144 -7.241 -5.198) 8.915 13.849 ( -9.936 3.394 5.124) 11.683 13.960 ( -6.793 3.363 -0.766) 7.619 14.274 ( -11.961 -1.123 3.419) 12.491 14.535 ( -5.070 -5.562 -1.886) 7.758 15.340 ( 1.360 5.741 3.440) 6.830 15.475 ( 1.331 4.808 -2.392) 5.532 15.692 ( 2.142 -3.701 1.109) 4.417 15.739 ( 3.629 -2.610 -1.473) 4.707 16.344 ( -7.289 -0.180 -0.603) 7.316 16.457 ( -7.175 -3.022 -4.498) 8.991 16.715 ( -2.735 -0.955 4.735) 5.551 16.757 ( -2.291 -1.364 2.609) 3.731 18.177 ( 8.337 -0.372 1.870) 8.552 18.309 ( 6.480 -2.831 2.561) 7.521 18.441 ( 12.074 3.995 0.951) 12.753 18.669 ( 11.934 -2.517 -1.148) 12.250 27.897 ( 0.537 -0.761 0.999) 1.366 27.950 ( 1.218 -0.457 0.458) 1.379 28.064 ( -0.015 1.167 -1.711) 2.072 28.152 ( 1.305 -1.344 3.147) 3.663 29.151 ( -0.074 5.580 2.983) 6.328 29.248 ( 3.260 4.570 0.058) 5.614 29.487 ( -2.422 -2.483 3.941) 5.250 29.580 ( 1.438 -3.236 1.259) 3.758 30.436 ( -8.658 2.907 -2.138) 9.380 30.510 ( -13.890 0.346 8.375) 16.223 30.992 ( -3.635 14.640 -2.749) 15.333 31.149 ( -8.254 3.813 -1.171) 9.167 31.570 ( -6.602 -6.334 -3.233) 9.704 32.014 ( 1.397 -7.152 -8.560) 11.242 32.339 ( 16.875 6.681 8.296) 19.956 33.290 ( 20.559 -12.193 -8.923) 25.514 ======================= Grid point 240 (128/168) ======================= q-point: ( 0.30 0.29 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 11.665 6.569 -7.624) 15.406 2.629 ( 9.254 7.019 0.382) 11.621 2.731 ( 5.746 4.171 2.911) 7.673 2.917 ( 3.078 10.421 3.460) 11.403 3.015 ( 7.631 -7.278 -3.286) 11.045 3.061 ( 5.080 10.160 0.090) 11.360 3.201 ( 4.926 4.805 5.324) 8.701 3.688 ( 5.536 -0.228 -3.886) 6.768 3.930 ( 2.115 -6.613 -5.317) 8.745 4.142 ( 9.118 0.359 -8.865) 12.722 4.273 ( 4.919 1.945 -8.530) 10.037 4.462 ( -0.719 5.719 6.710) 8.846 4.531 ( 7.605 2.963 -0.586) 8.182 4.696 ( 3.039 -2.803 -1.085) 4.274 4.839 ( 3.487 -2.094 0.682) 4.124 5.312 ( 7.643 -9.321 -0.729) 12.076 5.515 ( -5.395 5.054 1.145) 7.481 5.654 ( -3.685 1.850 -2.382) 4.762 6.001 ( 3.550 2.613 -3.264) 5.485 6.226 ( -3.987 5.401 1.000) 6.787 6.308 ( 2.875 7.579 1.025) 8.170 6.426 ( -4.834 -9.562 3.440) 11.253 6.637 ( 7.698 3.099 -12.334) 14.866 6.858 ( -0.581 -7.668 6.465) 10.047 6.958 ( 3.068 -1.195 -1.562) 3.645 7.184 ( 1.815 5.825 1.411) 6.262 7.247 ( 5.215 -2.531 9.950) 11.516 7.533 ( 0.126 3.985 -2.258) 4.582 7.831 ( 2.802 1.042 -3.165) 4.353 7.870 ( 0.472 4.714 3.295) 5.771 8.136 ( -0.594 -2.351 -5.463) 5.977 8.373 ( -1.267 -2.576 -4.506) 5.343 8.469 ( -1.896 3.097 1.314) 3.862 8.946 ( 1.616 7.110 -5.279) 9.002 9.129 ( 3.455 -12.860 2.835) 13.614 9.525 ( 4.368 -6.230 1.295) 7.718 11.151 ( -1.385 6.511 -7.466) 10.003 11.349 ( -0.265 3.523 1.723) 3.931 11.769 ( -1.232 -5.459 -2.507) 6.133 11.835 ( -1.817 -6.161 -0.331) 6.431 13.755 ( -7.803 2.502 4.340) 9.273 13.874 ( -6.639 1.766 4.712) 8.331 14.135 ( -10.739 0.651 3.958) 11.463 14.421 ( -5.710 -4.947 -2.414) 7.931 15.413 ( 1.787 5.541 3.433) 6.759 15.471 ( 1.427 6.161 -0.972) 6.398 15.744 ( 4.589 -3.752 -0.681) 5.967 15.815 ( 3.115 -2.647 3.680) 5.500 16.240 ( -4.810 -1.463 -1.328) 5.200 16.300 ( -5.449 -2.610 -4.217) 7.368 16.670 ( -5.620 0.997 3.041) 6.468 16.791 ( -1.176 -1.980 4.263) 4.845 18.335 ( 7.949 -0.769 2.507) 8.370 18.456 ( 8.274 -2.705 2.028) 8.938 18.632 ( 9.163 3.857 2.058) 10.152 18.823 ( 8.515 -1.925 -0.840) 8.770 27.922 ( 0.748 -1.250 1.211) 1.894 27.965 ( 0.067 0.485 0.292) 0.570 28.071 ( 1.543 0.056 0.583) 1.650 28.204 ( 0.861 -2.604 2.649) 3.813 29.200 ( 0.582 6.131 4.621) 7.699 29.310 ( 3.006 4.561 1.672) 5.713 29.499 ( -1.376 -2.018 3.838) 4.550 29.641 ( 1.264 -1.939 5.069) 5.572 30.273 ( -8.388 4.058 -2.722) 9.708 30.403 ( -11.780 0.334 9.101) 14.890 30.846 ( -4.868 8.789 -6.300) 11.859 31.081 ( -4.838 6.278 1.120) 8.005 31.384 ( -5.584 -5.586 -6.122) 9.993 31.973 ( 5.691 -3.521 -11.902) 13.654 32.674 ( 12.019 1.958 9.441) 15.408 33.457 ( 15.071 -10.793 -10.703) 21.405 ======================= Grid point 241 (129/168) ======================= q-point: ( 0.40 0.29 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -1.242 5.761 -0.749) 5.941 2.687 ( 2.476 5.336 -2.245) 6.296 2.790 ( -1.210 7.230 -0.204) 7.334 2.923 ( 4.847 3.192 -11.890) 13.231 3.071 ( 5.427 7.088 6.775) 11.206 3.255 ( 4.012 -6.729 3.877) 8.741 3.422 ( 9.621 6.454 8.694) 14.485 3.656 ( 1.936 2.742 -7.311) 8.044 3.888 ( -1.994 -5.177 -2.775) 6.203 4.201 ( 2.016 -2.915 -5.049) 6.169 4.229 ( 9.193 3.499 -8.133) 12.763 4.505 ( -1.427 6.158 5.441) 8.340 4.648 ( 8.130 1.233 -3.400) 8.898 4.755 ( 0.893 0.473 4.281) 4.398 4.958 ( 7.460 -1.991 2.106) 8.003 5.388 ( 2.379 -4.143 -0.588) 4.814 5.500 ( 2.316 1.761 -0.537) 2.959 5.614 ( 0.814 1.935 -1.289) 2.464 6.045 ( 4.478 1.219 -1.513) 4.882 6.214 ( -0.095 0.439 0.258) 0.518 6.263 ( -4.097 9.063 3.527) 10.553 6.488 ( 0.742 -7.134 5.662) 9.138 6.602 ( 4.546 1.340 -10.507) 11.526 6.902 ( -5.881 0.776 -3.357) 6.816 6.951 ( 0.914 -8.410 8.147) 11.744 7.260 ( 4.447 4.925 1.642) 6.836 7.369 ( -1.065 -2.918 5.096) 5.968 7.490 ( 1.340 3.798 -5.406) 6.741 7.821 ( 2.438 0.580 -5.288) 5.852 7.893 ( -3.789 4.796 4.129) 7.376 8.115 ( 5.143 -6.923 -4.660) 9.803 8.220 ( -8.017 -3.457 -6.571) 10.927 8.503 ( 2.928 6.341 2.155) 7.310 8.893 ( 1.536 9.988 -7.245) 12.435 9.165 ( -2.068 -12.280 2.124) 12.633 9.539 ( -1.409 -5.129 -2.923) 6.069 11.072 ( 1.275 3.379 -5.365) 6.468 11.324 ( -2.441 -1.506 -2.690) 3.932 11.750 ( 2.578 -2.451 -1.612) 3.906 11.811 ( -2.547 -3.108 1.927) 4.456 13.725 ( -2.766 1.605 5.315) 6.203 13.863 ( -3.573 -0.117 7.489) 8.298 14.027 ( -7.909 1.594 2.873) 8.565 14.316 ( -2.573 -4.462 -3.695) 6.339 15.454 ( 0.714 5.977 1.254) 6.149 15.512 ( 2.491 7.332 1.413) 7.871 15.807 ( 3.091 -2.917 0.056) 4.251 15.901 ( 2.773 -2.542 2.518) 4.527 16.153 ( -3.164 -1.642 -2.003) 4.089 16.208 ( -2.311 -2.819 -1.504) 3.943 16.630 ( -4.562 2.026 4.432) 6.676 16.804 ( -1.303 -2.419 1.556) 3.158 18.471 ( 4.441 -0.831 3.567) 5.756 18.602 ( 7.199 -3.248 1.352) 8.013 18.763 ( 3.828 3.473 2.521) 5.751 18.910 ( 3.472 -1.050 -0.693) 3.693 27.940 ( -0.370 -0.804 1.247) 1.529 27.969 ( 0.750 0.920 -0.237) 1.210 28.114 ( 1.583 -1.820 2.082) 3.186 28.234 ( 0.104 -3.332 1.131) 3.521 29.271 ( 1.178 5.741 5.021) 7.717 29.364 ( 0.293 4.144 2.549) 4.874 29.540 ( 0.490 0.343 4.870) 4.907 29.725 ( 1.276 -0.920 5.458) 5.680 30.126 ( -5.400 5.170 -2.241) 7.805 30.348 ( -8.546 0.856 8.764) 12.271 30.723 ( -2.382 6.313 -6.099) 9.095 30.986 ( -3.883 -2.718 -2.852) 5.531 31.314 ( 1.492 2.665 -1.958) 3.628 31.887 ( 1.578 -1.718 -13.328) 13.531 32.921 ( 4.934 -0.717 9.833) 11.025 33.526 ( 10.177 -10.148 -11.949) 18.691 ======================= Grid point 242 (130/168) ======================= q-point: (-0.50 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -11.414 7.094 6.907) 15.110 2.659 ( -8.829 9.097 -3.102) 13.052 2.726 ( 3.413 4.356 -1.385) 5.704 2.925 ( 5.504 1.230 -6.084) 8.296 3.197 ( 2.067 3.596 4.739) 6.298 3.325 ( 1.083 -6.929 2.216) 7.355 3.541 ( 0.588 2.454 -2.988) 3.911 3.635 ( 4.255 0.727 -5.011) 6.614 3.853 ( -2.401 2.245 3.911) 5.109 4.134 ( -0.228 6.853 -6.919) 9.741 4.330 ( 5.144 -3.920 1.830) 6.721 4.492 ( -6.116 5.384 -0.370) 8.156 4.681 ( 0.527 -1.273 -1.411) 1.972 4.822 ( 2.314 9.159 1.461) 9.559 5.058 ( -0.841 -3.850 4.180) 5.745 5.381 ( -1.064 -6.392 -2.294) 6.874 5.525 ( 1.767 5.615 -1.305) 6.030 5.621 ( 1.433 1.828 -1.809) 2.944 6.087 ( 0.482 0.105 2.231) 2.285 6.139 ( -6.478 -5.267 -0.420) 8.360 6.371 ( 2.179 6.483 5.355) 8.686 6.487 ( -5.225 -8.943 -1.238) 10.431 6.587 ( 4.950 2.281 1.753) 5.725 6.749 ( -7.264 4.608 -1.218) 8.688 7.072 ( 1.543 -4.762 7.646) 9.139 7.325 ( -2.490 1.337 3.838) 4.767 7.368 ( -0.177 -5.540 0.986) 5.630 7.470 ( 5.892 2.261 -6.922) 9.367 7.803 ( 0.066 0.053 -4.616) 4.616 7.842 ( -1.727 1.766 -3.310) 4.131 8.026 ( -6.071 -2.525 -3.771) 7.580 8.151 ( 5.566 -6.949 -4.724) 10.079 8.600 ( 5.056 8.392 2.238) 10.050 8.838 ( 2.002 10.172 -6.660) 12.322 9.171 ( -0.570 -8.647 5.252) 10.133 9.428 ( -5.149 -4.186 -6.256) 9.120 11.072 ( 3.492 0.081 -1.777) 3.919 11.230 ( -1.683 -4.171 -6.402) 7.824 11.793 ( -2.251 -0.759 1.242) 2.681 11.804 ( 4.250 -0.759 0.373) 4.333 13.773 ( -0.770 0.440 5.978) 6.043 13.930 ( 1.592 -0.993 6.325) 6.597 13.962 ( -2.546 1.958 1.798) 3.681 14.266 ( 3.053 -4.192 -5.267) 7.391 15.476 ( -0.069 6.464 1.398) 6.614 15.557 ( 2.101 7.624 -0.407) 7.918 15.833 ( -0.229 -0.760 1.134) 1.385 15.948 ( 2.470 -1.989 -1.724) 3.610 16.117 ( -1.065 -1.354 1.521) 2.298 16.170 ( -1.058 -3.357 -1.041) 3.670 16.635 ( -2.110 1.452 5.812) 6.351 16.796 ( 0.243 -2.329 -0.972) 2.535 18.547 ( -0.538 -0.723 4.050) 4.149 18.689 ( 3.058 -3.784 -1.591) 5.119 18.813 ( -1.920 2.548 3.897) 5.036 18.921 ( -0.441 -0.218 -0.829) 0.964 27.942 ( -0.969 0.281 1.210) 1.576 27.982 ( 1.272 0.500 -0.669) 1.522 28.160 ( 0.585 -3.283 2.577) 4.215 28.235 ( -0.120 -3.456 -0.608) 3.511 29.341 ( -0.532 4.881 4.185) 6.451 29.383 ( 0.206 3.350 2.171) 3.997 29.617 ( 0.844 4.404 5.451) 7.058 29.782 ( 2.097 0.251 -0.187) 2.120 30.097 ( 0.755 4.228 4.621) 6.309 30.315 ( -5.065 1.732 3.309) 6.293 30.625 ( -3.493 4.688 -1.600) 6.061 30.927 ( 2.202 -5.921 -6.113) 8.791 31.356 ( 2.293 4.050 3.699) 5.945 31.724 ( -2.343 -0.282 -13.228) 13.437 33.052 ( -2.804 -1.724 9.864) 10.399 33.508 ( 5.719 -10.550 -12.973) 17.672 ======================= Grid point 243 (131/168) ======================= q-point: (-0.40 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -15.295 9.264 12.638) 21.897 2.458 ( -15.057 12.491 1.073) 19.593 2.754 ( 2.888 -1.191 -3.217) 4.485 2.927 ( 1.036 -0.572 -2.739) 2.984 3.249 ( -2.452 0.465 3.680) 4.446 3.332 ( 0.125 -4.660 -3.208) 5.658 3.475 ( -1.225 2.196 -2.837) 3.791 3.647 ( 3.323 0.741 -4.532) 5.668 3.848 ( -8.068 6.455 7.252) 12.623 4.008 ( -6.052 7.435 -6.304) 11.474 4.268 ( -15.010 2.331 -6.551) 16.542 4.413 ( -0.976 -2.848 4.444) 5.368 4.657 ( -5.604 3.062 3.988) 7.529 4.815 ( 0.685 9.476 -7.338) 12.005 5.038 ( -9.410 -3.998 8.601) 13.360 5.313 ( -1.259 -7.276 -5.271) 9.073 5.535 ( -0.742 6.475 1.231) 6.632 5.612 ( 1.082 3.470 -2.076) 4.186 5.991 ( -10.647 -3.468 -0.023) 11.197 6.129 ( -1.562 -2.092 5.688) 6.258 6.309 ( -9.457 -6.325 2.024) 11.556 6.390 ( -6.945 -4.197 1.781) 8.308 6.648 ( -3.742 6.706 -3.281) 8.351 6.821 ( 13.238 6.797 4.558) 15.564 7.128 ( -3.704 1.699 5.989) 7.244 7.292 ( -5.572 -7.837 -0.369) 9.623 7.360 ( 2.587 -2.232 -3.290) 4.743 7.570 ( 10.662 -0.945 -1.774) 10.849 7.680 ( -5.213 0.806 -2.751) 5.949 7.801 ( -0.281 -5.110 -1.688) 5.389 8.006 ( 2.350 -1.238 3.722) 4.573 8.193 ( 6.788 -5.493 -5.100) 10.113 8.645 ( -0.285 11.003 -2.706) 11.334 8.845 ( 7.770 7.470 -5.326) 12.022 9.258 ( -3.637 -6.255 0.016) 7.236 9.290 ( 0.774 -5.288 4.522) 7.000 11.085 ( -0.626 -2.198 -2.894) 3.687 11.195 ( 5.844 -3.385 -2.150) 7.087 11.759 ( -2.600 1.078 -0.519) 2.862 11.876 ( 4.421 -1.371 -0.340) 4.641 13.794 ( -2.464 1.912 2.760) 4.165 14.007 ( 7.839 4.005 -2.478) 9.145 14.056 ( 3.191 -4.449 8.259) 9.909 14.301 ( 9.594 -3.841 -5.944) 11.922 15.477 ( -1.598 6.193 1.022) 6.477 15.560 ( 1.154 6.743 -3.641) 7.749 15.849 ( -0.199 0.973 2.640) 2.820 15.945 ( 1.282 -1.260 -3.338) 3.791 16.130 ( -1.043 -2.046 1.271) 2.625 16.153 ( 0.483 -2.274 0.514) 2.381 16.694 ( 0.343 0.178 6.237) 6.249 16.797 ( 2.602 -1.782 -2.505) 4.027 18.541 ( -5.713 -0.734 3.347) 6.662 18.649 ( -3.183 -2.890 -4.509) 6.230 18.782 ( -7.543 1.705 3.400) 8.447 18.896 ( -2.574 -1.531 0.140) 2.998 27.942 ( -0.635 1.130 1.089) 1.693 27.991 ( 1.008 0.359 -1.029) 1.485 28.173 ( -1.918 -3.212 0.790) 3.824 28.235 ( 1.392 -4.192 -0.424) 4.437 29.328 ( -3.446 4.702 1.466) 6.011 29.443 ( 2.267 2.157 2.216) 3.835 29.648 ( -0.789 8.618 -0.561) 8.672 29.855 ( 8.447 1.838 0.244) 8.648 30.185 ( -1.951 3.717 1.050) 4.327 30.291 ( 4.783 3.474 2.521) 6.427 30.609 ( -3.550 0.436 9.466) 10.119 30.890 ( 4.088 -5.464 -9.060) 11.342 31.458 ( 1.695 1.479 7.477) 7.808 31.528 ( -4.163 1.705 -11.166) 12.038 33.061 ( -9.772 -2.123 9.136) 13.545 33.406 ( 0.178 -11.629 -13.126) 17.537 ======================= Grid point 244 (132/168) ======================= q-point: (-0.30 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -16.307 14.405 5.593) 22.465 2.213 ( -21.076 9.870 15.313) 27.858 2.745 ( -0.865 -2.707 -1.200) 3.085 2.884 ( -3.376 -3.315 -2.414) 5.311 3.155 ( -7.831 0.120 -4.468) 9.017 3.277 ( -3.458 -2.839 -3.579) 5.729 3.465 ( -0.471 3.189 2.026) 3.808 3.601 ( -2.952 3.239 -7.003) 8.261 3.722 ( -18.919 13.962 9.765) 25.460 3.830 ( -12.087 4.449 -0.237) 12.882 3.992 ( -6.308 -2.041 -1.785) 6.866 4.407 ( -4.502 -1.815 2.388) 5.409 4.593 ( -9.323 2.801 5.315) 11.091 4.714 ( -2.163 4.229 -5.810) 7.505 4.975 ( -5.065 -2.872 1.075) 5.922 5.247 ( -2.727 -4.273 -0.739) 5.123 5.515 ( -1.003 3.116 -1.492) 3.598 5.634 ( 1.720 6.447 1.680) 6.881 5.842 ( -8.733 -0.549 2.769) 9.178 6.178 ( -5.659 5.197 8.888) 11.749 6.201 ( -4.532 -10.992 2.170) 12.086 6.301 ( -8.189 -7.099 3.716) 11.457 6.564 ( 1.182 9.809 -5.062) 11.102 6.976 ( 2.718 6.914 -0.574) 7.451 7.141 ( -1.072 1.236 1.290) 2.083 7.175 ( -3.892 -8.062 -2.244) 9.229 7.371 ( 1.800 -1.682 -1.621) 2.949 7.543 ( -4.085 2.477 -0.903) 4.862 7.749 ( 2.469 -6.766 -1.004) 7.272 7.844 ( 6.596 -5.086 5.299) 9.872 8.096 ( 3.143 -0.925 -0.312) 3.291 8.253 ( 5.732 -3.169 -0.703) 6.587 8.579 ( -1.329 8.180 -4.093) 9.243 8.871 ( 3.538 7.820 -7.665) 11.508 9.197 ( -0.435 -9.685 0.635) 9.716 9.418 ( 0.443 -5.707 8.247) 10.039 11.049 ( 1.427 -0.092 -2.552) 2.926 11.303 ( 6.306 -3.707 1.887) 7.554 11.705 ( -2.240 2.048 -1.523) 3.396 11.928 ( 3.620 -2.648 -1.912) 4.876 13.800 ( 1.261 4.773 1.147) 5.069 14.092 ( 7.502 3.713 -4.678) 9.589 14.222 ( 7.424 -4.881 5.400) 10.397 14.420 ( 13.093 -3.355 -5.743) 14.685 15.455 ( -1.707 5.348 0.027) 5.614 15.520 ( -0.007 5.555 -4.200) 6.964 15.848 ( -0.794 -1.160 -3.749) 4.004 15.944 ( 1.807 -1.230 -0.863) 2.350 16.126 ( 0.186 -0.824 2.660) 2.791 16.200 ( 2.767 -0.861 2.168) 3.619 16.769 ( 1.302 -0.775 3.631) 3.934 16.823 ( 3.887 -1.140 -1.807) 4.435 18.447 ( -9.081 -0.854 1.148) 9.193 18.508 ( -7.420 -2.546 -4.398) 8.993 18.666 ( -10.887 1.828 2.271) 11.270 18.807 ( -9.288 -3.322 -0.437) 9.873 27.948 ( 0.081 1.765 0.633) 1.877 27.988 ( 0.317 0.351 -1.243) 1.330 28.132 ( -2.485 -2.175 -1.221) 3.521 28.255 ( 1.104 -4.989 -0.284) 5.118 29.285 ( -3.194 5.006 0.340) 5.948 29.475 ( -0.119 0.468 -0.037) 0.484 29.606 ( 1.031 10.699 -6.729) 12.681 29.994 ( 6.905 1.907 -8.175) 10.869 30.116 ( 1.929 7.414 2.472) 8.050 30.488 ( 7.618 5.993 8.165) 12.673 30.742 ( 3.563 -6.455 10.205) 12.590 30.883 ( 7.737 -4.736 -1.693) 9.228 31.353 ( -3.845 3.800 -7.705) 9.412 31.558 ( -0.858 -0.919 7.948) 8.047 32.948 ( -15.008 -3.410 4.343) 15.992 33.210 ( -8.583 -10.843 -8.735) 16.356 ======================= Grid point 245 (133/168) ======================= q-point: (-0.20 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -23.348 13.969 7.847) 28.317 2.183 ( -13.760 13.472 19.596) 27.475 2.588 ( -19.696 -1.907 -3.132) 20.035 2.814 ( 1.176 -2.657 -2.300) 3.706 2.983 ( -7.258 1.089 -0.576) 7.361 3.128 ( -5.805 -3.961 -5.381) 8.851 3.400 ( -3.885 9.061 -9.517) 13.703 3.469 ( -7.308 -3.536 -0.825) 8.160 3.551 ( -17.297 22.367 17.835) 33.430 3.743 ( -6.395 1.566 7.977) 10.343 3.990 ( 3.145 -3.667 1.872) 5.181 4.337 ( -7.312 -0.241 2.284) 7.665 4.513 ( -4.821 -1.254 3.459) 6.065 4.645 ( -1.459 3.103 -2.085) 4.012 4.927 ( 0.262 -1.936 -2.374) 3.075 5.194 ( -3.031 -5.755 -0.597) 6.532 5.515 ( 1.664 3.262 2.581) 4.480 5.690 ( 1.728 4.315 3.487) 5.810 5.803 ( -3.438 1.045 6.874) 7.756 6.078 ( -10.846 0.115 5.073) 11.974 6.214 ( -7.670 -6.702 5.088) 11.385 6.287 ( 3.033 0.018 4.412) 5.354 6.608 ( 8.594 10.520 -2.517) 13.815 6.964 ( -0.800 3.203 0.040) 3.301 7.086 ( 1.880 -5.724 -5.320) 8.038 7.151 ( -2.464 -0.588 0.319) 2.553 7.350 ( -2.633 -0.477 -3.905) 4.734 7.514 ( -0.084 4.454 2.967) 5.352 7.708 ( -5.542 -10.344 0.390) 11.742 7.964 ( 2.183 -6.984 -4.102) 8.388 8.085 ( 1.379 5.892 -2.337) 6.487 8.343 ( 3.358 -1.356 1.722) 4.010 8.536 ( -0.110 3.976 -1.799) 4.365 8.832 ( 1.033 4.823 -2.803) 5.674 9.186 ( -2.049 -9.432 -2.266) 9.915 9.455 ( -4.401 -6.973 3.161) 8.831 11.079 ( 3.611 2.854 0.426) 4.622 11.407 ( 4.363 -0.916 0.468) 4.483 11.671 ( -0.832 -0.056 0.672) 1.071 11.950 ( 2.807 -4.152 -2.796) 5.739 13.867 ( 4.654 6.538 1.710) 8.206 14.138 ( 6.360 4.771 -6.200) 10.083 14.394 ( 7.848 -5.167 2.705) 9.778 14.553 ( 11.681 -3.301 -6.277) 13.665 15.430 ( -0.891 4.380 -0.764) 4.535 15.470 ( -0.828 4.977 -3.256) 6.005 15.762 ( -1.850 -2.860 -6.085) 6.973 15.926 ( 0.259 -3.111 -4.843) 5.762 16.246 ( 7.717 0.034 5.982) 9.765 16.287 ( 4.589 -0.344 3.110) 5.554 16.810 ( 1.713 -0.776 -0.289) 1.902 16.861 ( 1.650 -1.372 -0.720) 2.263 18.285 ( -9.753 -1.094 -3.054) 10.278 18.347 ( -8.777 -1.837 -0.207) 8.969 18.497 ( -12.017 1.335 0.242) 12.093 18.598 ( -16.047 -2.611 0.806) 16.278 27.949 ( -0.128 0.960 -1.147) 1.501 27.979 ( 0.130 1.313 -0.439) 1.391 28.075 ( -2.188 -1.090 -1.722) 2.990 28.255 ( 0.133 -4.682 -1.635) 4.961 29.236 ( -2.863 4.778 -0.295) 5.578 29.433 ( -1.490 3.896 -5.567) 6.956 29.529 ( -0.725 6.829 -5.744) 8.953 29.888 ( -0.647 0.101 -10.579) 10.600 30.300 ( 9.173 8.606 4.408) 13.328 30.701 ( 6.216 8.975 10.318) 15.021 30.832 ( 10.577 -7.861 -6.442) 14.668 31.224 ( 7.185 3.772 -2.744) 8.566 31.261 ( 12.198 -5.804 13.937) 19.409 31.606 ( -3.569 -3.271 7.806) 9.185 32.650 ( -21.486 -3.806 -5.901) 22.604 32.978 ( -15.850 -7.229 3.133) 17.700 ======================= Grid point 246 (134/168) ======================= q-point: (-0.10 0.29 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -18.128 14.306 8.266) 24.528 2.078 ( -17.525 5.918 -4.717) 19.090 2.310 ( -11.941 12.110 14.379) 22.271 2.826 ( -2.147 3.852 5.904) 7.370 2.982 ( 4.523 -2.750 4.892) 7.208 3.062 ( 3.282 -3.841 -1.784) 5.358 3.222 ( -4.772 6.680 -10.244) 13.128 3.353 ( -2.619 -0.981 -2.331) 3.641 3.456 ( -20.680 18.695 16.662) 32.477 3.809 ( 2.138 6.235 7.757) 10.179 4.079 ( 2.810 -6.675 2.236) 7.580 4.253 ( -5.465 2.088 2.222) 6.258 4.547 ( 3.892 -5.548 2.260) 7.144 4.607 ( -1.791 4.240 1.533) 4.851 4.925 ( 2.414 -2.119 -2.027) 3.798 5.145 ( -1.501 -8.120 -1.832) 8.459 5.616 ( 0.679 2.897 8.428) 8.938 5.784 ( 1.872 3.170 8.225) 9.011 5.858 ( -0.065 -1.413 6.178) 6.338 6.013 ( -4.047 -0.836 6.579) 7.770 6.154 ( -6.072 -0.982 3.130) 6.902 6.373 ( 0.938 0.301 3.536) 3.671 6.693 ( 5.746 9.502 -4.156) 11.857 6.961 ( 0.028 -0.594 -1.652) 1.756 7.070 ( -2.625 -1.962 -3.158) 4.551 7.198 ( -3.367 -2.521 -5.446) 6.881 7.203 ( 10.954 1.011 0.432) 11.009 7.579 ( 3.366 4.175 -2.043) 5.739 7.610 ( -7.980 -6.897 5.530) 11.909 7.846 ( -3.813 0.168 -8.638) 9.443 8.108 ( 0.025 3.942 1.772) 4.322 8.363 ( -1.287 -1.114 -1.670) 2.385 8.525 ( 1.259 -0.410 -1.007) 1.663 8.858 ( 1.404 0.527 3.402) 3.718 9.056 ( -6.144 -5.917 -8.163) 11.807 9.366 ( -6.461 -5.762 -2.206) 8.934 11.154 ( 3.322 4.949 2.282) 6.382 11.443 ( 3.075 4.123 -3.869) 6.436 11.697 ( -0.390 -4.465 4.743) 6.526 11.957 ( 2.312 -5.522 -3.005) 6.698 13.957 ( 2.663 6.498 2.320) 7.396 14.154 ( 4.693 5.792 -6.171) 9.677 14.510 ( 3.142 -5.391 1.449) 6.406 14.633 ( 7.696 -3.922 -6.625) 10.886 15.410 ( -0.527 3.286 -1.463) 3.635 15.421 ( -0.808 5.648 -1.975) 6.038 15.676 ( -0.634 -3.516 -4.659) 5.871 15.866 ( 0.887 -3.066 -6.677) 7.401 16.396 ( 4.976 0.298 3.661) 6.185 16.472 ( 10.480 -2.807 4.325) 11.680 16.819 ( 0.413 -1.196 -1.344) 1.846 16.836 ( -2.610 -1.470 -2.520) 3.914 18.102 ( -9.712 1.028 -0.400) 9.774 18.219 ( -8.381 -0.048 0.921) 8.432 18.339 ( -4.283 -0.997 -2.197) 4.916 18.377 ( -13.719 -1.558 3.897) 14.347 27.923 ( -0.801 0.653 -1.481) 1.806 27.968 ( -0.574 0.428 -1.693) 1.838 28.040 ( -0.326 0.756 -0.108) 0.831 28.221 ( -0.871 -3.332 -3.095) 4.630 29.190 ( -2.395 4.277 -0.460) 4.924 29.318 ( -1.240 8.142 -8.484) 11.824 29.477 ( -1.968 0.418 0.056) 2.013 29.761 ( -1.168 -2.164 -9.058) 9.385 30.461 ( 5.532 7.334 3.945) 9.997 30.832 ( -0.207 7.279 0.628) 7.309 31.012 ( 14.404 -3.255 1.001) 14.801 31.240 ( 6.514 3.046 1.158) 7.284 31.498 ( -2.715 -1.918 0.561) 3.371 31.916 ( 25.112 -8.501 14.093) 30.025 32.199 ( -24.694 0.854 -4.217) 25.066 32.770 ( -16.661 -7.260 5.021) 18.855 ======================= Grid point 247 (135/168) ======================= q-point: ( 0.00 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 1.260 8.228 1.133) 8.400 1.888 ( -1.065 0.950 -3.527) 3.805 2.650 ( -3.972 8.876 14.199) 17.209 2.791 ( -6.307 -5.172 9.156) 12.262 3.043 ( -0.796 0.980 0.100) 1.267 3.099 ( 7.057 -4.131 3.255) 8.801 3.273 ( 6.862 7.769 -3.936) 11.088 3.383 ( 7.739 -1.479 -7.022) 10.554 3.658 ( -3.675 10.938 5.089) 12.611 3.876 ( -0.953 -9.903 -1.919) 10.132 4.126 ( 2.146 8.061 5.401) 9.938 4.242 ( -0.405 -1.694 -0.254) 1.760 4.618 ( 1.852 1.024 5.638) 6.023 4.659 ( -1.177 -2.325 4.685) 5.361 4.935 ( 1.597 -0.886 -2.267) 2.911 4.949 ( -0.041 -0.978 -1.616) 1.889 5.743 ( -5.609 4.356 9.775) 12.083 5.843 ( -3.687 -4.374 7.166) 9.169 5.976 ( 3.535 1.282 5.983) 7.066 6.012 ( 1.152 -1.938 1.816) 2.895 6.196 ( -2.144 3.577 9.526) 10.399 6.309 ( -2.196 -6.344 5.337) 8.576 6.818 ( -0.623 4.589 -7.838) 9.104 6.920 ( -1.901 -5.073 -8.675) 10.228 6.988 ( -1.555 6.008 -2.569) 6.717 7.066 ( 2.531 -0.448 -4.453) 5.141 7.475 ( 2.867 1.248 7.309) 7.949 7.510 ( 6.344 -2.128 7.821) 10.293 7.696 ( -0.077 3.113 -4.176) 5.209 7.739 ( 1.432 -0.788 -4.668) 4.946 8.195 ( -1.539 3.944 0.190) 4.238 8.264 ( -0.991 -2.615 -1.823) 3.339 8.531 ( 1.155 1.224 -1.960) 2.584 8.624 ( -2.704 -7.277 -5.537) 9.535 9.068 ( 1.483 4.286 -0.505) 4.563 9.160 ( -0.824 -4.277 -3.533) 5.609 11.355 ( 0.687 6.569 4.357) 7.913 11.477 ( 1.539 -3.703 1.275) 4.208 11.697 ( 0.356 3.544 -1.555) 3.886 11.818 ( 2.167 -6.615 -4.726) 8.413 14.116 ( -3.153 6.373 1.484) 7.263 14.208 ( -1.175 -0.750 -2.783) 3.112 14.455 ( -1.305 0.630 -0.694) 1.607 14.535 ( 1.700 -5.507 -4.630) 7.393 15.441 ( -1.651 4.129 -0.072) 4.447 15.510 ( 1.069 -0.819 -0.573) 1.464 15.606 ( 1.305 3.256 -3.973) 5.300 15.717 ( 1.955 -5.442 -6.437) 8.653 16.534 ( 3.901 1.330 3.075) 5.142 16.563 ( 2.657 -1.437 1.814) 3.523 16.716 ( -5.043 -0.173 -1.927) 5.401 16.742 ( -3.056 -2.421 -1.757) 4.277 18.066 ( -5.700 3.228 4.436) 7.911 18.128 ( -4.607 -2.422 3.597) 6.326 18.247 ( 0.997 1.892 -1.198) 2.451 18.299 ( 4.808 -2.805 -1.661) 5.809 27.914 ( -0.706 0.799 -1.034) 1.485 27.927 ( -0.295 -0.494 -1.658) 1.755 28.081 ( 0.392 1.552 0.285) 1.626 28.122 ( -0.289 -2.203 -1.685) 2.789 29.248 ( -1.967 4.604 0.861) 5.080 29.317 ( -1.341 -0.573 -1.129) 1.844 29.466 ( -1.391 3.330 -3.949) 5.350 29.563 ( -1.612 -4.740 -6.979) 8.589 30.708 ( 0.526 6.117 2.189) 6.519 30.797 ( -4.523 -1.427 -1.883) 5.103 31.149 ( -0.384 1.725 2.154) 2.786 31.231 ( 3.085 -5.279 -1.794) 6.372 31.793 ( 5.916 11.465 9.311) 15.911 31.986 ( -4.536 -0.609 4.239) 6.238 32.191 ( 3.029 1.031 2.933) 4.340 32.398 ( 3.858 -12.697 -3.244) 13.661 ======================= Grid point 248 (136/168) ======================= q-point: ( 0.10 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 18.008 5.801 -0.114) 18.920 2.020 ( 20.322 3.166 0.400) 20.571 2.723 ( -5.469 4.159 9.398) 11.642 2.808 ( -3.137 -4.612 7.387) 9.257 3.024 ( 2.262 10.064 -0.800) 10.346 3.173 ( 1.843 -2.162 -2.267) 3.634 3.330 ( 3.812 4.131 -3.528) 6.636 3.408 ( 8.687 -1.543 -12.343) 15.172 3.815 ( 10.421 2.406 6.408) 12.468 3.898 ( 8.477 -5.123 -2.595) 10.240 4.190 ( 0.557 3.810 2.114) 4.392 4.239 ( 3.108 0.315 -1.225) 3.356 4.621 ( -3.952 3.588 1.717) 5.607 4.744 ( 0.880 -7.906 2.808) 8.436 4.910 ( 0.562 2.566 -2.563) 3.670 4.942 ( 0.503 -0.353 -0.990) 1.165 5.764 ( -5.890 4.839 9.085) 11.860 5.872 ( -4.250 -4.798 7.023) 9.508 5.998 ( 1.282 2.573 -3.240) 4.332 6.061 ( 2.649 -2.993 -0.405) 4.018 6.336 ( 2.379 1.021 11.457) 11.746 6.379 ( 2.457 -1.889 5.160) 6.019 6.762 ( 0.892 0.186 -1.422) 1.689 6.800 ( 1.318 -0.864 -9.431) 9.562 6.893 ( -8.372 3.120 0.315) 8.940 6.978 ( -6.099 -2.145 -5.159) 8.271 7.479 ( -6.491 4.940 1.362) 8.270 7.533 ( -4.670 -0.060 -1.061) 4.789 7.756 ( 9.607 4.065 -0.945) 10.475 7.820 ( 10.342 -1.522 -3.289) 10.958 8.239 ( 4.036 1.893 2.472) 5.098 8.272 ( 4.258 -1.715 -1.381) 4.793 8.541 ( -0.124 -1.425 -2.644) 3.006 8.568 ( 3.549 -4.290 1.274) 5.712 9.105 ( 2.388 1.193 -1.622) 3.123 9.150 ( 4.831 -2.378 -1.206) 5.518 11.401 ( -0.395 6.211 3.487) 7.134 11.489 ( 1.023 0.448 -3.165) 3.356 11.684 ( -1.511 0.169 1.089) 1.871 11.786 ( 0.965 -6.948 -5.329) 8.810 14.045 ( -8.905 5.124 3.288) 10.787 14.120 ( -7.437 -1.031 -0.257) 7.513 14.397 ( -5.093 2.045 -0.116) 5.490 14.490 ( -2.110 -5.869 -2.512) 6.723 15.431 ( -0.656 5.760 1.993) 6.130 15.539 ( 2.247 -2.888 0.883) 3.764 15.586 ( 1.146 2.935 -2.936) 4.306 15.679 ( 2.616 -4.235 -6.276) 8.011 16.501 ( -7.594 1.557 -1.526) 7.900 16.544 ( -5.962 -2.456 -1.918) 6.727 16.669 ( -0.648 1.415 3.878) 4.179 16.720 ( -0.514 -3.295 1.509) 3.661 18.081 ( 2.028 2.530 3.492) 4.765 18.142 ( 1.426 -3.164 3.583) 4.988 18.339 ( 10.744 3.992 -0.941) 11.500 18.421 ( 11.450 -3.788 -1.132) 12.113 27.898 ( -0.488 0.888 -0.003) 1.013 27.917 ( 0.402 -0.827 -0.376) 0.993 28.096 ( 0.663 0.042 0.638) 0.921 28.101 ( -0.028 -0.338 -1.248) 1.293 29.243 ( -1.052 5.048 2.520) 5.739 29.300 ( 0.566 1.321 -0.421) 1.498 29.434 ( -1.331 -0.309 1.398) 1.955 29.491 ( -0.080 -4.301 -2.926) 5.202 30.646 ( -9.772 1.734 0.394) 9.932 30.657 ( -10.627 0.821 1.921) 10.831 31.192 ( 5.521 7.669 0.633) 9.471 31.358 ( 10.228 -7.220 -1.896) 12.662 31.632 ( -19.234 10.419 0.656) 21.885 31.886 ( -17.001 -12.718 1.700) 21.299 32.346 ( 19.267 16.536 -0.577) 25.396 32.691 ( 24.092 -16.220 -2.700) 29.169 ======================= Grid point 249 (137/168) ======================= q-point: ( 0.20 0.43 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 23.318 7.356 -0.379) 24.454 2.422 ( 26.002 -0.029 1.359) 26.037 2.715 ( -2.626 4.734 2.499) 5.963 2.830 ( -1.903 -6.116 2.878) 7.022 3.113 ( 2.833 8.668 5.707) 10.758 3.128 ( -1.456 6.108 -2.657) 6.818 3.316 ( 4.955 2.793 -10.690) 12.109 3.442 ( 12.656 -8.119 -8.298) 17.174 3.939 ( 2.598 0.883 -2.981) 4.052 4.007 ( 3.485 -6.733 -2.494) 7.981 4.263 ( 8.823 4.778 -0.568) 10.049 4.352 ( 10.382 -1.541 1.385) 10.586 4.585 ( -0.545 6.835 0.397) 6.868 4.726 ( -5.677 -3.282 3.332) 7.356 4.884 ( 1.748 4.301 -5.000) 6.823 4.976 ( 5.358 -6.755 -0.766) 8.656 5.733 ( -8.751 5.575 4.908) 11.478 5.807 ( -7.512 -0.232 0.048) 7.516 6.029 ( 3.660 1.524 -1.939) 4.413 6.112 ( 4.759 -5.431 1.577) 7.391 6.384 ( -1.323 4.425 -3.156) 5.594 6.484 ( 1.184 -2.445 4.320) 5.103 6.701 ( -3.400 3.554 -4.098) 6.402 6.758 ( -4.835 -3.180 0.661) 5.824 6.882 ( 2.593 -0.746 2.989) 4.027 6.917 ( 6.376 -3.475 6.126) 9.500 7.380 ( -2.444 8.481 -2.033) 9.058 7.508 ( 1.057 -3.080 -0.008) 3.256 7.867 ( 6.537 1.630 -4.582) 8.148 7.884 ( 5.663 0.276 -6.088) 8.319 8.255 ( -1.385 4.162 -2.603) 5.100 8.342 ( 1.892 -2.809 -0.823) 3.485 8.538 ( 1.901 5.122 1.563) 5.683 8.711 ( 6.863 -10.166 5.597) 13.483 9.115 ( 3.770 5.410 -3.972) 7.698 9.252 ( 6.420 -6.994 1.222) 9.572 11.416 ( -1.609 5.510 -1.491) 5.931 11.433 ( -0.530 4.114 -4.343) 6.006 11.682 ( -1.661 -3.266 3.019) 4.748 11.729 ( -0.391 -6.570 -4.415) 7.925 13.926 ( -11.722 3.760 5.263) 13.388 13.986 ( -10.960 -1.285 3.288) 11.514 14.300 ( -6.955 3.850 0.312) 7.956 14.411 ( -5.006 -6.097 -1.395) 8.011 15.470 ( 1.295 6.458 3.604) 7.508 15.577 ( 3.125 4.807 -3.497) 6.715 15.596 ( 1.312 -5.385 2.966) 6.286 15.670 ( 3.817 -3.976 -2.994) 6.273 16.353 ( -7.539 1.163 -2.164) 7.929 16.394 ( -7.564 -2.691 -3.469) 8.745 16.708 ( -2.224 0.310 4.472) 5.004 16.726 ( -1.898 -1.358 3.737) 4.406 18.194 ( 7.344 1.888 2.296) 7.923 18.247 ( 6.767 -2.963 2.581) 7.825 18.525 ( 12.226 4.013 0.363) 12.873 18.605 ( 12.128 -3.557 -0.470) 12.648 27.900 ( 0.013 0.945 1.003) 1.378 27.928 ( 0.463 -1.471 0.899) 1.785 28.091 ( 0.410 1.316 -0.751) 1.569 28.120 ( 0.934 -1.535 1.088) 2.101 29.271 ( -0.571 5.231 4.293) 6.791 29.326 ( 1.492 1.434 1.810) 2.749 29.442 ( -0.693 -0.401 2.760) 2.874 29.500 ( 1.163 -4.267 2.744) 5.205 30.488 ( -9.648 1.818 0.232) 9.821 30.511 ( -11.555 -0.447 3.841) 12.184 31.261 ( -10.415 6.940 -1.993) 12.673 31.327 ( 2.611 16.877 -3.047) 17.347 31.421 ( -10.350 -7.389 -2.177) 12.902 31.701 ( 1.951 -17.998 -4.525) 18.660 32.641 ( 17.432 17.329 -0.414) 24.583 32.993 ( 19.334 -16.031 -4.970) 25.602 ======================= Grid point 250 (138/168) ======================= q-point: ( 0.30 0.43 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 7.905 9.821 -3.228) 13.014 2.758 ( 8.249 4.781 -1.091) 9.596 2.790 ( 17.667 -2.405 -1.153) 17.867 2.818 ( -1.771 -6.981 0.993) 7.270 3.099 ( 1.101 6.625 0.291) 6.723 3.175 ( 2.190 0.482 -2.818) 3.602 3.361 ( 9.325 9.362 0.107) 13.214 3.573 ( 10.706 -10.152 -3.327) 15.124 3.892 ( -1.046 2.283 -3.512) 4.317 3.986 ( 2.577 -7.848 -5.966) 10.189 4.371 ( 7.445 5.842 -5.269) 10.832 4.511 ( 6.827 -5.463 -0.431) 8.754 4.616 ( -0.211 6.257 2.975) 6.932 4.685 ( -4.597 0.770 7.002) 8.411 4.908 ( 8.751 6.785 -3.697) 11.674 5.091 ( 9.849 -10.450 -0.712) 14.377 5.635 ( -7.097 5.648 2.391) 9.380 5.699 ( -4.751 0.553 -0.024) 4.783 6.052 ( 2.939 3.582 -2.640) 5.333 6.189 ( 0.312 -9.115 0.556) 9.137 6.355 ( 2.143 8.194 0.511) 8.486 6.497 ( -1.762 0.408 0.313) 1.835 6.639 ( 1.258 0.172 -3.856) 4.059 6.706 ( -1.847 -4.804 1.364) 5.324 6.988 ( 3.462 4.183 2.642) 6.039 7.120 ( 4.685 -7.253 7.707) 11.574 7.380 ( 4.237 9.915 -0.809) 10.813 7.542 ( 3.012 -4.091 -0.652) 5.122 7.847 ( 3.833 1.400 -8.766) 9.669 7.893 ( 2.503 -1.930 -5.442) 6.294 8.173 ( -4.272 5.041 -3.089) 7.294 8.286 ( -4.589 -5.159 -3.361) 7.680 8.606 ( 2.539 9.545 2.085) 10.094 8.847 ( 3.778 -13.099 2.427) 13.848 9.133 ( 3.273 10.122 -3.043) 11.065 9.351 ( 4.276 -10.087 0.194) 10.958 11.295 ( -2.930 6.572 -8.573) 11.192 11.384 ( -2.985 -1.088 -3.879) 5.014 11.685 ( 0.642 -1.709 0.130) 1.830 11.717 ( -0.562 -4.368 3.204) 5.446 13.816 ( -10.150 3.142 6.616) 12.517 13.872 ( -10.252 -1.812 6.899) 12.489 14.193 ( -6.646 4.682 0.145) 8.131 14.307 ( -5.470 -5.782 -1.720) 8.143 15.534 ( 2.368 5.817 1.625) 6.487 15.604 ( 3.570 5.612 -1.027) 6.730 15.655 ( 3.290 -4.009 1.862) 5.510 15.735 ( 3.409 -5.022 3.111) 6.820 16.225 ( -5.480 0.160 -2.136) 5.884 16.248 ( -5.729 -2.048 -2.977) 6.774 16.700 ( -3.674 1.863 3.515) 5.416 16.745 ( -2.108 -2.343 3.863) 4.986 18.345 ( 7.809 1.639 2.330) 8.313 18.395 ( 7.931 -2.922 2.171) 8.727 18.708 ( 9.158 3.415 1.156) 9.842 18.773 ( 8.903 -2.810 0.108) 9.336 27.918 ( 0.193 0.841 1.631) 1.845 27.948 ( 0.186 -1.674 1.535) 2.279 28.095 ( 0.804 2.065 -0.192) 2.224 28.147 ( 0.870 -2.739 0.841) 2.994 29.318 ( -0.418 4.602 5.017) 6.821 29.375 ( 0.068 -0.017 3.912) 3.913 29.488 ( 1.471 2.559 4.556) 5.428 29.575 ( 1.266 -4.282 6.483) 7.872 30.352 ( -8.196 3.136 0.681) 8.802 30.396 ( -9.076 -1.138 4.920) 10.386 31.002 ( -9.840 7.069 -6.795) 13.891 31.142 ( -12.743 -4.893 -6.758) 15.232 31.421 ( 5.800 12.487 -1.492) 13.849 31.741 ( 6.693 -15.727 -6.216) 18.188 32.876 ( 12.527 14.427 -0.047) 19.107 33.189 ( 13.794 -14.638 -6.501) 21.138 ======================= Grid point 251 (139/168) ======================= q-point: ( 0.40 0.43 -0.62) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -3.072 9.052 1.207) 9.635 2.758 ( -1.349 -2.326 -2.850) 3.918 2.888 ( 6.493 0.994 -2.598) 7.063 2.927 ( 2.772 0.841 -1.471) 3.249 3.145 ( 6.411 0.766 -4.663) 7.965 3.194 ( 3.831 0.022 -1.543) 4.130 3.509 ( 3.934 4.542 2.359) 6.455 3.640 ( 2.720 -6.555 -4.434) 8.368 3.896 ( 3.825 5.896 2.032) 7.316 4.027 ( 8.766 -7.720 -1.214) 11.743 4.369 ( 2.324 7.630 -6.819) 10.494 4.550 ( 1.206 -7.700 -2.881) 8.309 4.665 ( 0.432 5.702 6.439) 8.612 4.756 ( -0.155 -1.769 10.067) 10.222 5.037 ( 10.163 8.392 -3.292) 13.584 5.230 ( 7.909 -9.201 -1.845) 12.273 5.595 ( -3.091 5.816 4.826) 8.165 5.671 ( -1.015 0.480 2.419) 2.667 6.056 ( 1.206 1.579 -2.929) 3.540 6.143 ( -2.294 -5.374 -3.664) 6.897 6.425 ( 1.789 3.944 2.619) 5.061 6.471 ( -1.173 3.169 -0.263) 3.389 6.618 ( 0.668 2.352 -1.673) 2.963 6.755 ( 1.786 -9.210 6.587) 11.463 6.997 ( -3.819 8.192 0.142) 9.040 7.201 ( -0.875 -9.702 2.084) 9.962 7.451 ( 4.268 8.495 -1.778) 9.671 7.549 ( 1.677 0.299 -5.092) 5.370 7.821 ( 4.766 0.446 -8.046) 9.362 7.894 ( 6.506 -5.548 -4.004) 9.441 8.050 ( -5.711 3.019 -4.958) 8.144 8.138 ( -8.366 -4.418 -3.784) 10.189 8.670 ( 3.033 9.826 2.735) 10.641 8.903 ( 1.459 -12.271 1.996) 12.517 9.132 ( 1.007 12.245 -3.750) 12.846 9.374 ( 0.297 -10.361 -2.826) 10.744 11.161 ( -1.623 4.898 -7.404) 9.024 11.261 ( -3.654 -4.339 -6.689) 8.770 11.726 ( 2.541 0.168 1.837) 3.140 11.753 ( 0.007 -2.216 3.280) 3.958 13.772 ( -5.866 2.717 7.893) 10.203 13.830 ( -6.718 -2.575 9.179) 11.663 14.101 ( -3.727 4.967 -1.426) 6.372 14.212 ( -2.589 -5.387 -3.060) 6.715 15.583 ( 2.698 6.014 -0.035) 6.591 15.652 ( 3.906 3.517 -1.494) 5.464 15.742 ( 2.416 -1.087 4.377) 5.116 15.825 ( 2.448 -4.863 3.883) 6.687 16.133 ( -3.477 -0.080 -1.210) 3.683 16.154 ( -3.242 -2.050 -1.228) 4.028 16.682 ( -3.073 2.871 2.909) 5.114 16.745 ( -1.896 -3.077 1.944) 4.103 18.479 ( 4.977 1.599 2.861) 5.959 18.532 ( 5.850 -3.225 2.008) 6.975 18.828 ( 3.991 2.780 1.350) 5.048 18.878 ( 3.879 -1.996 0.321) 4.374 27.940 ( 0.052 0.884 1.768) 1.977 27.968 ( 0.202 -1.252 1.388) 1.880 28.108 ( 0.711 1.545 0.230) 1.716 28.163 ( 0.467 -3.292 0.035) 3.325 29.370 ( -0.344 3.455 5.002) 6.089 29.410 ( -1.648 -0.205 4.387) 4.690 29.586 ( 2.775 4.191 6.041) 7.859 29.677 ( 1.317 -3.760 7.232) 8.257 30.246 ( -6.012 5.617 0.903) 8.277 30.333 ( -6.746 -2.429 5.469) 9.018 30.824 ( -2.817 3.947 -7.152) 8.641 30.910 ( -5.052 -4.300 -7.765) 10.213 31.470 ( 2.692 11.637 -1.452) 12.032 31.733 ( 2.456 -11.836 -7.870) 14.424 33.032 ( 6.562 10.228 0.793) 12.178 33.283 ( 8.110 -12.695 -7.197) 16.695 ======================= Grid point 252 (140/168) ======================= q-point: (-0.50 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -8.140 9.270 5.194) 13.385 2.706 ( -2.207 -4.221 -0.992) 4.865 2.877 ( -6.197 6.452 -0.879) 8.990 2.925 ( -0.956 0.342 0.774) 1.277 3.195 ( 8.133 -2.657 -6.743) 10.894 3.230 ( 2.921 -2.655 -2.364) 4.601 3.525 ( 0.191 1.294 -2.337) 2.678 3.601 ( 1.299 -4.650 -5.619) 7.408 4.017 ( 2.987 9.826 5.883) 11.835 4.177 ( 5.849 -5.382 3.396) 8.644 4.317 ( -0.111 6.758 -5.377) 8.637 4.479 ( -3.947 -6.862 -6.588) 10.299 4.747 ( -2.815 6.715 9.527) 11.991 4.882 ( -1.125 -5.233 11.981) 13.122 5.092 ( 3.395 8.521 -7.044) 11.565 5.256 ( 1.334 -6.388 -6.233) 9.024 5.633 ( -2.071 5.623 7.173) 9.346 5.705 ( -0.154 1.543 4.225) 4.501 6.014 ( -3.163 -2.906 -2.103) 4.782 6.046 ( -3.930 -3.549 -4.323) 6.836 6.394 ( -6.713 0.568 0.625) 6.766 6.432 ( -6.099 -1.870 0.721) 6.419 6.714 ( 8.319 8.997 7.970) 14.618 6.904 ( 3.731 -3.016 5.900) 7.604 6.918 ( -2.150 4.589 1.975) 5.439 7.166 ( -4.309 -12.010 -0.209) 12.762 7.443 ( -0.169 6.591 -4.096) 7.762 7.524 ( 4.714 0.573 -6.518) 8.065 7.791 ( 1.856 1.567 -10.546) 10.822 7.876 ( -5.354 -1.148 -9.039) 10.568 7.956 ( 2.651 -2.481 -1.946) 4.120 8.005 ( 0.494 -5.381 -1.296) 5.557 8.780 ( 4.364 9.087 5.905) 11.683 8.971 ( 1.082 -8.328 5.530) 10.055 9.082 ( 0.647 10.375 -5.331) 11.682 9.293 ( -3.301 -8.687 -6.762) 11.493 11.088 ( 0.998 1.654 -4.353) 4.762 11.144 ( -1.224 -3.667 -6.014) 7.149 11.785 ( 0.542 -0.005 1.452) 1.550 11.791 ( 2.895 -0.493 1.193) 3.170 13.804 ( -2.518 2.413 8.263) 8.969 13.866 ( -2.736 -3.360 9.729) 10.650 14.057 ( 2.452 5.305 -3.772) 6.956 14.168 ( 3.016 -5.173 -4.776) 7.660 15.613 ( 1.012 6.096 -0.171) 6.182 15.680 ( 2.782 1.892 -3.383) 4.771 15.819 ( 0.660 1.072 4.659) 4.826 15.891 ( 1.943 -3.720 0.940) 4.301 16.094 ( -1.535 -0.499 1.462) 2.178 16.109 ( -1.886 -2.047 0.229) 2.793 16.678 ( -1.105 2.629 2.612) 3.867 16.739 ( -0.155 -3.011 0.238) 3.024 18.556 ( 0.234 1.564 2.833) 3.245 18.610 ( 1.403 -3.476 0.897) 3.855 18.864 ( -1.507 2.222 1.697) 3.176 18.903 ( -0.948 -1.440 0.263) 1.743 27.959 ( -0.032 1.341 1.569) 2.064 27.986 ( 0.573 -0.662 0.594) 1.058 28.121 ( 0.147 0.133 0.652) 0.682 28.162 ( 0.086 -3.225 -0.843) 3.335 29.416 ( -1.603 1.999 4.426) 5.114 29.426 ( -1.602 0.861 3.726) 4.146 29.709 ( 4.504 4.184 5.471) 8.230 29.775 ( 2.994 -1.677 3.780) 5.106 30.201 ( -2.400 5.485 3.590) 6.981 30.298 ( -4.531 -3.181 3.596) 6.602 30.722 ( -0.802 4.258 -5.929) 7.344 30.812 ( 1.417 -4.820 -5.986) 7.815 31.484 ( 0.629 7.924 0.007) 7.949 31.649 ( -1.023 -6.724 -7.845) 10.382 33.098 ( -0.176 6.169 1.733) 6.410 33.281 ( 2.259 -10.627 -7.283) 13.079 ======================= Grid point 253 (141/168) ======================= q-point: (-0.40 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -10.712 10.439 8.811) 17.359 2.668 ( -3.279 -6.078 1.914) 7.167 2.717 ( -12.763 9.933 -0.520) 16.181 2.884 ( -7.348 -4.341 3.171) 9.104 3.219 ( 1.922 -2.088 -5.042) 5.786 3.236 ( 4.103 -3.308 -5.187) 7.395 3.507 ( 1.009 2.330 -1.544) 2.971 3.579 ( 3.124 -4.353 -4.365) 6.911 4.077 ( -4.448 10.294 4.273) 12.001 4.163 ( -3.911 7.308 -6.259) 10.387 4.243 ( -12.296 -4.233 -5.986) 14.316 4.326 ( -1.756 -5.653 2.836) 6.564 4.765 ( -8.680 6.797 8.454) 13.893 4.901 ( -11.200 -5.173 3.779) 12.903 5.045 ( 1.267 7.504 -2.940) 8.158 5.179 ( -0.027 -5.615 -6.088) 8.282 5.646 ( -5.179 6.105 3.991) 8.945 5.740 ( -1.619 1.683 3.014) 3.813 5.904 ( -7.771 -1.860 1.581) 8.145 5.978 ( -2.317 -6.279 2.784) 7.249 6.293 ( -8.739 0.537 4.599) 9.890 6.319 ( -9.753 -2.408 2.800) 10.429 6.829 ( -3.075 10.503 -3.093) 11.373 6.978 ( 10.535 5.715 4.181) 12.694 7.086 ( -1.590 -9.482 -2.158) 9.854 7.129 ( 7.969 -4.048 6.798) 11.229 7.377 ( -2.345 6.205 -3.846) 7.668 7.549 ( 4.578 -6.460 -3.408) 8.620 7.650 ( -3.750 1.634 -4.850) 6.344 7.721 ( -1.650 -2.818 -6.151) 6.965 8.000 ( 4.256 0.949 1.618) 4.651 8.065 ( 6.667 -5.501 -1.907) 8.851 8.874 ( -1.784 10.641 -0.977) 10.833 8.996 ( 4.637 5.236 -0.050) 6.995 9.108 ( -3.503 -6.632 -3.242) 8.171 9.169 ( 1.733 -6.293 1.794) 6.770 11.068 ( 0.925 0.766 -2.495) 2.769 11.116 ( 3.812 -3.581 -1.862) 5.552 11.795 ( 0.308 2.185 -0.878) 2.374 11.840 ( 2.927 -2.052 -0.862) 3.677 13.859 ( -0.667 4.152 5.503) 6.925 13.956 ( 1.460 -4.941 7.115) 8.785 14.104 ( 8.699 5.051 -3.778) 10.746 14.209 ( 9.393 -4.885 -5.036) 11.724 15.607 ( -1.118 5.493 -0.757) 5.657 15.658 ( 0.362 1.557 -4.372) 4.655 15.864 ( 0.260 0.851 1.257) 1.540 15.903 ( 0.486 -2.480 -1.787) 3.095 16.098 ( -0.889 -0.344 2.052) 2.263 16.115 ( 0.786 -1.524 2.674) 3.177 16.711 ( 1.168 1.515 2.755) 3.354 16.753 ( 2.169 -2.313 -0.527) 3.215 18.544 ( -5.030 1.080 1.603) 5.389 18.585 ( -4.125 -2.804 -1.378) 5.175 18.822 ( -6.651 1.940 2.170) 7.260 18.861 ( -5.209 -1.795 0.858) 5.576 27.976 ( 0.250 1.768 1.034) 2.063 27.997 ( 0.675 -0.054 -0.478) 0.829 28.124 ( -0.873 -0.869 0.472) 1.319 28.153 ( 0.322 -3.280 -0.850) 3.403 29.408 ( -3.199 2.961 2.430) 4.991 29.450 ( -1.489 -0.992 3.065) 3.549 29.823 ( 5.641 6.579 -2.312) 8.969 29.887 ( 8.952 0.167 0.756) 8.985 30.246 ( -1.352 2.398 4.256) 5.069 30.297 ( 2.077 -2.145 5.900) 6.612 30.665 ( -1.236 4.513 -0.950) 4.774 30.773 ( 1.911 -5.618 -5.951) 8.404 31.502 ( -0.279 2.459 2.489) 3.510 31.540 ( -2.411 -0.765 -5.708) 6.243 33.064 ( -7.058 2.957 2.334) 8.000 33.188 ( -4.008 -8.704 -6.399) 11.523 ======================= Grid point 254 (142/168) ======================= q-point: (-0.30 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -11.066 10.138 12.023) 19.229 2.464 ( -18.596 11.522 0.780) 21.890 2.655 ( -3.668 -5.586 5.230) 8.486 2.754 ( -13.766 -9.285 3.326) 16.935 3.151 ( -3.595 0.840 -4.690) 5.969 3.202 ( -1.352 -3.017 -5.734) 6.618 3.509 ( -0.015 2.655 -2.143) 3.412 3.577 ( 1.297 -3.271 -3.590) 5.027 3.916 ( -12.298 2.537 -4.710) 13.411 3.950 ( -8.582 -1.468 -3.904) 9.542 4.092 ( -7.967 15.838 5.998) 18.716 4.327 ( -4.512 -6.686 3.920) 8.969 4.674 ( -12.680 4.390 6.702) 14.999 4.735 ( -11.109 -1.545 3.023) 11.617 5.001 ( 0.153 4.629 -6.456) 7.946 5.124 ( -1.804 -6.674 -3.334) 7.676 5.596 ( -3.802 4.541 1.965) 6.240 5.702 ( -4.066 -4.166 0.784) 5.874 5.873 ( -4.903 6.811 8.404) 11.877 6.025 ( -1.200 -6.758 7.955) 10.507 6.197 ( -10.736 0.769 5.484) 12.080 6.244 ( -5.088 -1.510 5.894) 7.931 6.759 ( 1.360 8.975 -5.192) 10.457 6.957 ( -1.560 -9.939 -5.931) 11.679 7.168 ( 5.760 7.206 -3.704) 9.941 7.258 ( -4.182 10.976 4.051) 12.424 7.302 ( 2.694 -5.152 -2.447) 6.308 7.528 ( -4.603 -12.363 2.458) 13.420 7.615 ( 1.544 4.418 -2.385) 5.253 7.737 ( 6.379 -6.011 -0.884) 8.809 8.109 ( 5.210 2.047 2.895) 6.302 8.173 ( 6.590 -3.879 2.403) 8.015 8.762 ( -3.155 9.168 -6.836) 11.864 8.941 ( -4.951 -6.402 -7.288) 10.891 9.102 ( 4.063 5.984 1.841) 7.464 9.272 ( 0.574 -8.236 5.784) 10.080 11.086 ( 3.048 3.710 0.600) 4.839 11.192 ( 4.994 -5.976 2.233) 8.102 11.776 ( 0.227 4.152 -3.011) 5.133 11.860 ( 2.410 -3.775 -2.986) 5.383 13.923 ( 3.394 6.671 2.329) 7.839 14.062 ( 5.495 -6.261 1.583) 8.479 14.225 ( 10.161 4.882 -2.032) 11.455 14.332 ( 12.142 -4.946 -4.431) 13.839 15.566 ( -1.677 4.583 -2.131) 5.325 15.605 ( -0.970 1.564 -3.566) 4.013 15.831 ( -1.601 0.408 -4.450) 4.747 15.883 ( -0.613 -3.807 -2.014) 4.350 16.140 ( 2.566 1.731 3.530) 4.694 16.177 ( 3.443 -1.468 2.296) 4.391 16.766 ( 1.978 0.576 1.847) 2.767 16.792 ( 3.092 -1.666 -0.332) 3.528 18.440 ( -8.615 0.283 -0.289) 8.624 18.462 ( -8.004 -1.742 -2.409) 8.538 18.705 ( -11.092 1.927 2.072) 11.447 18.749 ( -10.768 -2.333 1.250) 11.089 27.987 ( 0.479 1.469 -0.709) 1.700 27.996 ( 0.293 0.319 -0.669) 0.797 28.104 ( -1.293 0.197 -0.480) 1.393 28.155 ( 0.365 -4.221 -0.090) 4.238 29.377 ( -3.340 3.833 1.117) 5.205 29.443 ( -2.586 -2.546 1.509) 3.930 29.833 ( 4.773 9.431 -10.476) 14.882 29.975 ( 5.316 -3.933 -10.288) 12.230 30.305 ( 5.911 10.101 5.262) 12.832 30.500 ( 9.570 -7.040 7.649) 14.130 30.683 ( 1.222 3.105 5.279) 6.245 30.779 ( 5.176 -5.123 2.814) 7.807 31.444 ( -3.097 4.467 -3.670) 6.558 31.522 ( -2.099 -2.757 3.305) 4.789 32.924 ( -13.029 1.567 0.436) 13.130 33.017 ( -10.780 -7.247 -2.131) 13.163 ======================= Grid point 255 (143/168) ======================= q-point: (-0.20 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -20.540 13.549 4.386) 24.994 2.368 ( -14.875 -0.091 7.858) 16.823 2.545 ( -14.221 2.147 8.548) 16.731 2.702 ( -1.681 -8.382 8.711) 12.205 2.997 ( -9.202 2.399 -2.921) 9.948 3.072 ( -5.853 -3.079 -3.585) 7.523 3.429 ( -2.932 2.561 -5.131) 6.440 3.501 ( -1.544 -1.634 -8.756) 9.040 3.783 ( -3.991 4.128 4.430) 7.252 3.896 ( -0.206 -5.441 1.695) 5.702 4.016 ( -10.610 18.478 7.952) 22.743 4.279 ( -6.427 -6.693 3.554) 9.937 4.570 ( -8.772 5.575 6.439) 12.227 4.653 ( -6.249 -1.807 5.836) 8.739 4.938 ( 2.241 2.179 -6.629) 7.329 5.038 ( -1.698 -7.695 -5.465) 9.590 5.600 ( -0.181 4.267 4.920) 6.515 5.687 ( -0.925 -3.781 4.584) 6.013 5.889 ( -5.533 6.915 8.229) 12.089 6.040 ( -9.966 -6.636 7.827) 14.305 6.144 ( -2.855 4.863 5.404) 7.811 6.268 ( -2.031 -4.099 6.595) 8.027 6.780 ( 7.296 5.763 -3.493) 9.932 6.905 ( 4.222 -6.961 -4.695) 9.398 7.135 ( -0.257 8.485 -7.620) 11.407 7.202 ( -3.716 4.393 2.815) 6.405 7.318 ( -0.452 -1.633 -4.471) 4.782 7.462 ( -6.607 -11.902 2.144) 13.781 7.639 ( 2.335 7.271 1.594) 7.801 7.807 ( 3.092 -8.182 -0.920) 8.795 8.200 ( 2.802 4.911 1.001) 5.741 8.289 ( 3.509 -3.585 1.912) 5.368 8.653 ( -2.393 7.128 -4.548) 8.787 8.811 ( -3.738 -6.881 -3.428) 8.548 9.137 ( 0.535 5.182 -2.054) 5.600 9.293 ( -3.032 -8.345 1.517) 9.008 11.171 ( 3.912 5.846 3.766) 7.979 11.309 ( 4.313 -6.835 4.444) 9.223 11.740 ( 0.605 5.247 -3.951) 6.596 11.852 ( 2.081 -5.198 -4.311) 7.067 14.018 ( 5.720 7.668 1.078) 9.627 14.160 ( 7.076 -4.576 -2.379) 8.756 14.357 ( 8.335 3.394 -1.281) 9.090 14.462 ( 10.451 -5.256 -5.107) 12.764 15.515 ( -0.980 3.611 -2.658) 4.590 15.553 ( -1.166 1.242 -2.356) 2.907 15.737 ( -2.172 1.856 -5.835) 6.497 15.831 ( -1.127 -5.538 -4.168) 7.023 16.260 ( 7.029 1.040 3.537) 7.937 16.278 ( 6.086 -0.624 2.322) 6.544 16.804 ( 1.271 0.366 0.033) 1.323 16.827 ( 1.344 -1.649 -0.540) 2.195 18.280 ( -9.103 0.686 -1.918) 9.328 18.308 ( -8.492 -1.785 -0.602) 8.699 18.525 ( -13.625 1.377 1.199) 13.747 18.555 ( -14.974 -1.620 1.581) 15.144 27.970 ( -0.127 1.085 -2.113) 2.379 27.989 ( -0.225 -0.504 -1.244) 1.361 28.082 ( -0.754 2.168 -0.213) 2.305 28.156 ( 0.127 -4.520 -0.584) 4.559 29.331 ( -3.361 4.219 0.276) 5.401 29.408 ( -3.083 -3.053 0.360) 4.354 29.731 ( 0.592 8.707 -13.828) 16.352 29.858 ( -0.677 -3.526 -12.961) 13.449 30.480 ( 8.721 8.624 1.472) 12.353 30.659 ( 8.853 -8.580 -2.398) 12.559 30.894 ( 11.188 9.565 13.559) 20.013 31.090 ( 16.820 -8.998 15.972) 24.879 31.353 ( -2.379 6.872 -3.431) 8.041 31.497 ( -4.696 -6.616 1.965) 8.348 32.668 ( -17.672 4.783 -1.601) 18.378 32.811 ( -15.838 -8.182 2.819) 18.048 ======================= Grid point 256 (144/168) ======================= q-point: (-0.10 0.43 0.38) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -16.478 11.549 3.499) 20.424 2.090 ( -17.371 -3.994 -2.684) 18.025 2.559 ( -6.070 11.195 15.049) 19.714 2.784 ( -4.955 -10.357 9.578) 14.952 2.916 ( 2.673 3.851 5.121) 6.943 3.014 ( -0.617 -4.413 3.254) 5.517 3.316 ( -2.062 5.389 -7.293) 9.300 3.396 ( 2.577 0.101 -9.419) 9.766 3.739 ( -9.859 7.845 4.688) 13.443 3.906 ( -2.891 -8.418 3.629) 9.612 4.022 ( 0.461 13.309 6.821) 14.962 4.239 ( -2.805 -5.401 3.452) 6.997 4.547 ( -1.465 5.099 3.655) 6.443 4.646 ( -4.269 -1.416 6.475) 7.884 4.926 ( 3.154 0.532 -3.584) 4.803 4.972 ( 0.430 -6.074 -3.858) 7.209 5.690 ( -0.601 4.209 9.183) 10.120 5.776 ( 1.560 -3.555 8.320) 9.181 5.892 ( -4.372 4.323 7.210) 9.475 5.977 ( -5.558 -3.051 5.957) 8.700 6.166 ( -3.141 3.791 5.664) 7.504 6.298 ( -2.946 -6.781 5.149) 9.009 6.871 ( 7.123 5.554 -2.985) 9.513 6.945 ( 1.802 -1.963 -3.781) 4.625 7.053 ( 4.314 3.314 -7.636) 9.376 7.151 ( -2.708 -3.589 -13.065) 13.817 7.266 ( 3.478 5.442 7.694) 10.046 7.421 ( -4.147 -9.003 6.785) 12.012 7.701 ( 2.533 5.843 0.559) 6.393 7.803 ( -0.652 -3.695 -3.366) 5.040 8.220 ( -0.950 5.355 0.448) 5.457 8.312 ( -1.436 -3.551 -0.427) 3.855 8.571 ( -1.818 5.104 -3.774) 6.603 8.726 ( -3.455 -9.107 -2.772) 10.127 9.092 ( -0.878 5.927 -3.632) 7.006 9.231 ( -3.657 -6.975 -1.907) 8.104 11.276 ( 2.583 6.591 4.833) 8.572 11.414 ( 2.559 -5.933 3.998) 7.598 11.711 ( 1.165 5.050 -3.340) 6.166 11.834 ( 2.270 -6.131 -4.574) 7.979 14.104 ( 2.957 7.244 0.836) 7.869 14.219 ( 4.432 -1.817 -3.723) 6.067 14.444 ( 4.119 1.214 -1.184) 4.454 14.533 ( 6.266 -5.386 -5.590) 9.976 15.475 ( -1.049 3.132 -1.759) 3.742 15.517 ( -0.415 0.810 -1.492) 1.748 15.649 ( -0.382 3.036 -5.333) 6.149 15.766 ( 0.406 -6.131 -5.613) 8.322 16.409 ( 6.854 0.895 2.701) 7.421 16.431 ( 8.500 -1.314 3.042) 9.123 16.800 ( -1.199 -0.443 -1.359) 1.865 16.806 ( -2.350 -1.062 -1.815) 3.153 18.139 ( -7.228 2.431 0.615) 7.650 18.192 ( -6.770 -2.312 1.497) 7.309 18.334 ( -9.090 0.513 -0.891) 9.148 18.351 ( -11.561 -1.020 1.681) 11.727 27.941 ( -0.472 0.971 -1.946) 2.226 27.960 ( -0.848 -0.818 -2.003) 2.324 28.076 ( 0.016 2.587 0.061) 2.588 28.144 ( -0.167 -3.761 -1.372) 4.007 29.282 ( -2.903 4.378 0.116) 5.254 29.360 ( -2.749 -2.602 -0.434) 3.810 29.574 ( -1.431 7.019 -10.582) 12.779 29.695 ( -2.055 -4.384 -10.678) 11.724 30.616 ( 7.002 7.709 1.122) 10.475 30.779 ( 8.549 -7.582 -2.257) 11.648 31.146 ( -2.727 10.385 5.706) 12.159 31.279 ( -1.672 -1.090 2.699) 3.357 31.483 ( 10.529 2.246 3.273) 11.253 31.648 ( 23.093 -12.721 12.529) 29.190 32.358 ( -18.567 10.480 -0.916) 21.340 32.581 ( -16.982 -10.394 2.631) 20.083 ======================= Grid point 287 (145/168) ======================= q-point: ( 0.00 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -8.641 0.000 -7.036) 11.143 1.298 ( 8.641 0.000 7.036) 11.143 2.229 ( 7.613 0.000 -21.250) 22.573 2.229 ( -7.613 0.000 21.250) 22.573 3.083 ( -8.219 0.000 -7.476) 11.111 3.083 ( 8.219 0.000 7.476) 11.111 3.243 ( -13.441 0.000 1.393) 13.513 3.243 ( 13.441 0.000 -1.393) 13.513 3.611 ( -3.678 0.000 -13.415) 13.910 3.611 ( 3.678 0.000 13.415) 13.910 4.099 ( 3.927 0.000 -13.436) 13.998 4.099 ( -3.927 0.000 13.436) 13.998 4.803 ( 8.399 0.000 -8.592) 12.015 4.803 ( -8.399 0.000 8.592) 12.015 5.324 ( 0.431 0.000 -1.683) 1.738 5.324 ( -0.431 0.000 1.683) 1.738 5.786 ( -5.655 0.000 -8.505) 10.213 5.786 ( 5.655 0.000 8.505) 10.213 5.997 ( 2.889 0.000 -6.530) 7.141 5.997 ( -2.889 0.000 6.530) 7.141 6.174 ( -9.454 0.000 -0.173) 9.456 6.174 ( 9.454 0.000 0.173) 9.456 6.717 ( 0.118 0.000 -4.812) 4.814 6.717 ( -0.118 0.000 4.812) 4.814 7.190 ( -16.143 0.000 -0.390) 16.147 7.190 ( 16.143 0.000 0.390) 16.147 7.251 ( -5.924 0.000 0.683) 5.963 7.251 ( 5.924 0.000 -0.683) 5.963 7.545 ( -10.512 0.000 -1.549) 10.625 7.545 ( 10.512 0.000 1.549) 10.625 8.316 ( 3.952 0.000 -5.830) 7.044 8.316 ( -3.952 0.000 5.830) 7.044 8.828 ( 9.693 0.000 -5.134) 10.968 8.828 ( -9.693 0.000 5.134) 10.968 9.099 ( 5.467 0.000 -7.025) 8.901 9.099 ( -5.467 0.000 7.025) 8.901 11.111 ( -0.741 0.000 -3.707) 3.780 11.111 ( 0.741 0.000 3.707) 3.780 12.054 ( 0.965 0.000 -4.319) 4.425 12.054 ( -0.965 0.000 4.319) 4.425 13.917 ( 2.723 0.000 -3.771) 4.652 13.917 ( -2.723 0.000 3.771) 4.652 14.685 ( 6.031 0.000 -3.453) 6.950 14.685 ( -6.031 0.000 3.453) 6.950 15.277 ( -4.551 0.000 0.948) 4.649 15.277 ( 4.551 0.000 -0.948) 4.649 15.741 ( -0.515 0.000 -1.130) 1.242 15.741 ( 0.515 0.000 1.130) 1.242 16.588 ( -4.990 0.000 -3.689) 6.205 16.588 ( 4.990 0.000 3.689) 6.205 16.835 ( 5.013 0.000 -2.929) 5.806 16.835 ( -5.013 0.000 2.929) 5.806 18.050 ( 1.087 0.000 -4.298) 4.433 18.050 ( -1.087 0.000 4.298) 4.433 18.377 ( 7.272 0.000 -2.458) 7.676 18.377 ( -7.272 0.000 2.458) 7.676 27.912 ( 0.342 0.000 -0.452) 0.567 27.912 ( -0.342 0.000 0.452) 0.567 28.072 ( -1.820 0.000 -4.279) 4.650 28.072 ( 1.820 0.000 4.279) 4.650 29.047 ( -1.547 0.000 -0.989) 1.836 29.047 ( 1.547 0.000 0.989) 1.836 29.601 ( 2.802 0.000 -6.888) 7.436 29.601 ( -2.802 0.000 6.888) 7.436 30.524 ( -2.031 0.000 -5.357) 5.729 30.524 ( 2.031 0.000 5.357) 5.729 31.332 ( 4.854 0.000 -4.677) 6.740 31.332 ( -4.854 0.000 4.677) 6.740 31.470 ( -14.347 0.000 0.250) 14.349 31.470 ( 14.347 0.000 -0.250) 14.349 32.827 ( -25.186 0.000 8.152) 26.472 32.827 ( 25.186 0.000 -8.152) 26.472 ======================= Grid point 289 (146/168) ======================= q-point: ( 0.10 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 25.833 0.000 -1.794) 25.895 1.733 ( 28.834 0.000 5.616) 29.376 2.161 ( 15.214 0.000 -18.512) 23.962 2.395 ( -0.842 0.000 19.453) 19.471 2.843 ( -8.623 0.000 -9.191) 12.603 3.023 ( -12.321 0.000 1.185) 12.378 3.353 ( 12.382 0.000 6.506) 13.987 3.408 ( 8.281 0.000 -11.083) 13.835 3.517 ( 11.982 0.000 -4.298) 12.730 3.845 ( 5.836 0.000 12.210) 13.533 3.951 ( 3.700 0.000 -21.813) 22.124 4.138 ( -2.735 0.000 3.890) 4.756 4.731 ( -11.049 0.000 6.476) 12.807 4.793 ( 4.320 0.000 -10.262) 11.134 5.276 ( 0.048 0.000 -7.914) 7.914 5.320 ( 1.444 0.000 -3.179) 3.491 5.602 ( -9.119 0.000 -1.851) 9.305 5.882 ( -2.261 0.000 1.531) 2.731 5.981 ( -4.015 0.000 0.230) 4.022 5.998 ( -6.559 0.000 -7.470) 9.941 6.001 ( 4.603 0.000 -1.074) 4.726 6.306 ( 11.103 0.000 -4.438) 11.957 6.707 ( 3.439 0.000 -3.482) 4.894 6.812 ( 2.111 0.000 6.901) 7.217 7.033 ( -3.878 0.000 2.579) 4.657 7.148 ( -11.102 0.000 5.014) 12.182 7.318 ( 0.933 0.000 1.324) 1.619 7.379 ( -6.398 0.000 2.490) 6.866 7.508 ( 15.550 0.000 6.153) 16.723 7.689 ( 5.275 0.000 2.526) 5.849 8.297 ( 2.711 0.000 -7.819) 8.275 8.336 ( -1.077 0.000 4.176) 4.313 8.680 ( -8.383 0.000 0.161) 8.385 8.787 ( 1.773 0.000 -11.961) 12.092 9.264 ( 5.089 0.000 16.158) 16.941 9.289 ( 15.452 0.000 1.853) 15.563 11.050 ( -1.791 0.000 -3.164) 3.636 11.159 ( -0.002 0.000 3.942) 3.942 12.005 ( 0.386 0.000 -6.144) 6.156 12.070 ( -2.158 0.000 2.548) 3.339 13.876 ( -2.609 0.000 -4.026) 4.798 13.903 ( -4.334 0.000 4.565) 6.294 14.591 ( -11.781 0.000 5.003) 12.799 14.700 ( -0.143 0.000 -2.453) 2.458 15.233 ( -2.284 0.000 2.165) 3.147 15.331 ( 2.554 0.000 0.021) 2.554 15.744 ( 0.882 0.000 1.685) 1.902 15.773 ( 0.679 0.000 2.380) 2.475 16.466 ( -5.765 0.000 -1.916) 6.075 16.625 ( -7.406 0.000 -0.223) 7.410 16.802 ( -0.308 0.000 4.570) 4.580 16.831 ( -1.656 0.000 -1.794) 2.441 18.106 ( 10.510 0.000 -1.721) 10.650 18.148 ( 7.163 0.000 2.995) 7.764 18.344 ( 0.075 0.000 1.809) 1.810 18.507 ( 12.384 0.000 -2.763) 12.688 27.907 ( -0.104 0.000 -1.126) 1.131 27.920 ( 1.521 0.000 -0.429) 1.581 28.032 ( 0.584 0.000 -0.367) 0.690 28.169 ( 2.584 0.000 5.921) 6.461 29.021 ( -0.338 0.000 -0.701) 0.779 29.088 ( 2.299 0.000 0.833) 2.446 29.578 ( 3.260 0.000 -5.236) 6.168 29.642 ( -3.229 0.000 8.258) 8.867 30.404 ( -3.997 0.000 -7.173) 8.212 30.589 ( 0.320 0.000 2.416) 2.437 31.020 ( -26.447 0.000 7.451) 27.476 31.193 ( -7.800 0.000 -2.585) 8.217 31.562 ( 8.835 0.000 0.519) 8.850 31.820 ( 13.622 0.000 1.073) 13.664 32.555 ( -10.983 0.000 3.778) 11.614 33.091 ( 23.129 0.000 -13.042) 26.552 ======================= Grid point 290 (147/168) ======================= q-point: ( 0.20 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 32.292 0.000 -7.144) 33.072 1.991 ( 16.896 0.000 -18.767) 25.252 2.503 ( 31.370 0.000 5.592) 31.865 2.639 ( -0.159 0.000 18.494) 18.495 2.697 ( 2.217 0.000 1.812) 2.863 2.863 ( -11.388 0.000 3.748) 11.989 3.364 ( 7.488 0.000 -15.047) 16.807 3.616 ( 10.165 0.000 5.655) 11.632 3.704 ( 1.813 0.000 1.119) 2.131 3.787 ( 22.280 0.000 -28.214) 35.950 4.016 ( -0.113 0.000 5.639) 5.640 4.169 ( 6.722 0.000 0.402) 6.734 4.616 ( -10.995 0.000 4.179) 11.763 4.723 ( 2.607 0.000 -10.287) 10.612 5.164 ( -0.419 0.000 -8.372) 8.383 5.304 ( 2.154 0.000 -4.587) 5.068 5.471 ( -6.939 0.000 2.956) 7.543 5.824 ( -2.650 0.000 -8.501) 8.905 5.855 ( 3.560 0.000 -6.912) 7.775 5.928 ( -0.535 0.000 -0.846) 1.001 6.027 ( -1.545 0.000 1.212) 1.964 6.438 ( 8.694 0.000 0.329) 8.700 6.695 ( 1.178 0.000 -4.827) 4.968 6.894 ( 3.091 0.000 0.806) 3.195 7.099 ( -1.859 0.000 7.662) 7.884 7.105 ( 4.771 0.000 3.813) 6.108 7.319 ( -0.941 0.000 0.292) 0.985 7.392 ( -2.913 0.000 8.706) 9.180 7.761 ( 5.176 0.000 6.849) 8.585 7.788 ( 1.527 0.000 4.736) 4.976 8.261 ( 3.208 0.000 -3.809) 4.980 8.347 ( -2.099 0.000 1.191) 2.414 8.567 ( -6.639 0.000 -1.055) 6.722 8.666 ( 0.910 0.000 -12.326) 12.360 9.504 ( 9.281 0.000 -0.953) 9.330 9.537 ( 4.315 0.000 14.012) 14.661 10.994 ( -1.582 0.000 -1.278) 2.034 11.214 ( 1.303 0.000 4.381) 4.570 11.921 ( -0.770 0.000 -7.853) 7.891 12.038 ( -4.446 0.000 1.111) 4.583 13.764 ( -4.782 0.000 -3.108) 5.703 13.897 ( -3.907 0.000 5.790) 6.985 14.446 ( -14.470 0.000 6.812) 15.993 14.617 ( -5.929 0.000 -3.136) 6.707 15.263 ( 1.779 0.000 2.611) 3.160 15.350 ( -0.596 0.000 0.585) 0.835 15.812 ( 0.806 0.000 2.326) 2.462 15.813 ( 2.992 0.000 4.466) 5.376 16.366 ( -4.395 0.000 -1.582) 4.671 16.425 ( -10.045 0.000 -6.074) 11.738 16.770 ( -5.181 0.000 1.732) 5.463 16.868 ( 0.517 0.000 3.387) 3.426 18.315 ( 10.015 0.000 1.432) 10.117 18.320 ( 13.256 0.000 4.060) 13.864 18.414 ( 5.762 0.000 1.883) 6.062 18.684 ( 12.469 0.000 -1.625) 12.574 27.891 ( 0.330 0.000 -1.264) 1.306 27.948 ( 2.199 0.000 -0.097) 2.201 28.073 ( 2.656 0.000 2.102) 3.387 28.276 ( 1.915 0.000 5.752) 6.062 29.025 ( 1.385 0.000 0.089) 1.387 29.139 ( 2.885 0.000 0.882) 3.017 29.587 ( 4.384 0.000 -3.597) 5.671 29.681 ( -4.636 0.000 9.085) 10.199 30.236 ( -5.573 0.000 -8.412) 10.091 30.562 ( -4.192 0.000 -3.938) 5.751 30.775 ( -18.297 0.000 13.854) 22.951 31.083 ( -4.308 0.000 1.143) 4.457 31.675 ( 6.308 0.000 -2.332) 6.725 31.697 ( -15.656 0.000 -9.489) 18.307 32.758 ( 17.232 0.000 12.494) 21.285 33.262 ( 19.610 0.000 -15.518) 25.007 ======================= Grid point 291 (148/168) ======================= q-point: ( 0.30 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 18.641 0.000 -18.000) 25.913 2.218 ( 26.827 0.000 -10.396) 28.771 2.722 ( -6.351 0.000 10.453) 12.231 2.748 ( -11.649 0.000 8.144) 14.214 2.950 ( 5.757 0.000 16.002) 17.007 3.010 ( 21.014 0.000 6.471) 21.988 3.295 ( 9.977 0.000 -20.526) 22.822 3.686 ( 4.998 0.000 1.165) 5.132 3.747 ( 2.787 0.000 -2.453) 3.712 3.987 ( 25.414 0.000 -15.176) 29.600 4.010 ( -2.395 0.000 0.502) 2.447 4.311 ( 7.234 0.000 0.799) 7.278 4.500 ( -6.335 0.000 1.278) 6.463 4.657 ( 2.951 0.000 -8.684) 9.172 5.138 ( 5.194 0.000 -1.385) 5.376 5.276 ( -0.261 0.000 -2.458) 2.472 5.500 ( 2.408 0.000 8.279) 8.622 5.761 ( 4.486 0.000 -3.959) 5.983 5.830 ( 5.895 0.000 -10.247) 11.822 5.955 ( 3.930 0.000 0.409) 3.951 5.999 ( -1.946 0.000 -1.022) 2.198 6.588 ( 3.856 0.000 7.978) 8.860 6.690 ( 3.010 0.000 -0.367) 3.032 6.922 ( 3.716 0.000 -7.376) 8.259 7.195 ( 3.318 0.000 0.926) 3.445 7.231 ( 6.167 0.000 7.052) 9.369 7.335 ( 1.931 0.000 2.212) 2.936 7.419 ( -4.682 0.000 5.217) 7.010 7.814 ( -4.027 0.000 2.059) 4.522 7.843 ( -3.467 0.000 7.504) 8.266 8.279 ( 1.259 0.000 -6.568) 6.688 8.293 ( -3.439 0.000 -2.967) 4.543 8.456 ( -8.167 0.000 7.068) 10.801 8.553 ( 2.565 0.000 -10.790) 11.090 9.545 ( 0.897 0.000 -5.031) 5.110 9.641 ( -4.475 0.000 3.426) 5.635 10.985 ( 0.003 0.000 2.414) 2.414 11.293 ( 2.436 0.000 2.655) 3.603 11.811 ( -1.202 0.000 -7.372) 7.470 11.969 ( -5.261 0.000 1.055) 5.365 13.698 ( -0.607 0.000 0.026) 0.607 13.905 ( -3.575 0.000 5.565) 6.614 14.310 ( -13.476 0.000 8.450) 15.906 14.466 ( -6.728 0.000 -4.584) 8.141 15.320 ( 1.813 0.000 1.764) 2.529 15.338 ( -1.340 0.000 0.761) 1.541 15.848 ( 0.246 0.000 2.023) 2.038 15.908 ( 2.469 0.000 2.197) 3.305 16.229 ( -4.534 0.000 -5.700) 7.283 16.290 ( -2.276 0.000 -2.444) 3.340 16.724 ( -5.433 0.000 5.359) 7.631 16.878 ( -1.144 0.000 -0.642) 1.311 18.483 ( 9.293 0.000 0.812) 9.328 18.553 ( 7.992 0.000 2.586) 8.400 18.557 ( 8.758 0.000 4.592) 9.888 18.840 ( 7.031 0.000 0.777) 7.074 27.896 ( 1.209 0.000 -0.041) 1.209 27.978 ( 1.512 0.000 -0.223) 1.528 28.151 ( 3.521 0.000 2.587) 4.369 28.347 ( -0.050 0.000 3.676) 3.676 29.068 ( 3.262 0.000 1.017) 3.417 29.199 ( 2.740 0.000 1.603) 3.174 29.632 ( 5.689 0.000 -3.014) 6.438 29.699 ( -6.531 0.000 9.213) 11.293 30.059 ( -4.451 0.000 -6.888) 8.201 30.398 ( -8.273 0.000 -4.261) 9.306 30.729 ( -9.893 0.000 13.757) 16.945 31.082 ( -1.010 0.000 3.804) 3.936 31.342 ( -8.163 0.000 -13.781) 16.018 31.699 ( 2.422 0.000 -5.746) 6.235 33.154 ( 8.366 0.000 17.125) 19.059 33.366 ( 16.792 0.000 -16.101) 23.265 ======================= Grid point 292 (149/168) ======================= q-point: ( 0.40 0.00 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 19.969 0.000 -12.893) 23.770 2.459 ( 14.077 0.000 -8.735) 16.567 2.646 ( -9.513 0.000 3.160) 10.024 2.679 ( -12.946 0.000 13.407) 18.637 3.183 ( 1.320 0.000 11.716) 11.790 3.285 ( 5.776 0.000 4.446) 7.289 3.286 ( 14.538 0.000 -10.168) 17.741 3.649 ( -2.142 0.000 -12.953) 13.129 3.835 ( 5.842 0.000 4.671) 7.480 3.984 ( -2.893 0.000 1.700) 3.356 4.205 ( 16.184 0.000 -5.215) 17.003 4.380 ( 1.019 0.000 -0.268) 1.053 4.481 ( 4.156 0.000 -1.222) 4.332 4.621 ( 1.865 0.000 -4.800) 5.150 5.240 ( 4.253 0.000 1.627) 4.553 5.255 ( 1.125 0.000 -1.926) 2.231 5.675 ( 2.154 0.000 11.971) 12.163 5.819 ( 8.802 0.000 -11.758) 14.688 5.852 ( 7.574 0.000 -0.493) 7.590 5.947 ( -4.127 0.000 0.895) 4.223 6.079 ( 10.533 0.000 3.982) 11.261 6.668 ( -10.396 0.000 5.574) 11.796 6.773 ( 5.107 0.000 2.298) 5.600 6.855 ( 4.262 0.000 -7.711) 8.810 7.260 ( 6.074 0.000 -2.769) 6.675 7.369 ( -6.575 0.000 4.560) 8.002 7.420 ( 8.705 0.000 1.804) 8.889 7.424 ( 3.179 0.000 5.519) 6.369 7.735 ( -2.617 0.000 -2.880) 3.891 7.845 ( -7.830 0.000 7.120) 10.583 8.119 ( -7.392 0.000 -5.230) 9.055 8.173 ( -3.451 0.000 -7.427) 8.189 8.481 ( -5.483 0.000 10.634) 11.965 8.507 ( 4.671 0.000 -8.207) 9.443 9.465 ( -2.090 0.000 -4.619) 5.069 9.525 ( -6.755 0.000 -3.829) 7.764 11.051 ( 2.003 0.000 6.141) 6.460 11.299 ( -1.207 0.000 -4.664) 4.817 11.762 ( 2.508 0.000 -1.641) 2.997 11.901 ( -4.923 0.000 0.774) 4.983 13.740 ( 3.552 0.000 2.251) 4.205 13.898 ( -3.779 0.000 2.496) 4.529 14.224 ( -9.804 0.000 9.302) 13.515 14.320 ( -3.202 0.000 -6.619) 7.353 15.338 ( 0.260 0.000 0.872) 0.910 15.354 ( 0.510 0.000 0.899) 1.033 15.862 ( -1.625 0.000 2.459) 2.947 15.907 ( 0.986 0.000 -5.449) 5.538 16.178 ( -0.138 0.000 1.657) 1.662 16.240 ( -0.345 0.000 -2.748) 2.770 16.724 ( -3.587 0.000 6.967) 7.837 16.830 ( -0.944 0.000 -4.136) 4.242 18.618 ( 6.128 0.000 1.058) 6.218 18.683 ( 3.218 0.000 1.076) 3.394 18.712 ( 7.871 0.000 2.558) 8.276 18.901 ( -0.565 0.000 0.703) 0.902 27.925 ( 1.628 0.000 0.933) 1.876 27.985 ( -0.008 0.000 -0.814) 0.814 28.236 ( 3.651 0.000 2.216) 4.271 28.356 ( -2.022 0.000 0.872) 2.202 29.146 ( 4.479 0.000 1.370) 4.684 29.245 ( 0.162 0.000 1.457) 1.466 29.673 ( 5.718 0.000 -6.642) 8.764 29.689 ( -7.641 0.000 8.995) 11.802 29.983 ( 0.775 0.000 0.174) 0.795 30.225 ( -6.863 0.000 -4.960) 8.467 30.754 ( -7.305 0.000 14.436) 16.179 30.988 ( -1.082 0.000 -14.524) 14.565 31.289 ( 3.783 0.000 6.871) 7.843 31.621 ( -1.509 0.000 -8.788) 8.916 33.385 ( -3.449 0.000 16.630) 16.984 33.429 ( 14.327 0.000 -15.667) 21.231 ======================= Grid point 293 (150/168) ======================= q-point: (-0.50 0.00 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 17.318 0.000 -6.419) 18.469 2.370 ( -17.318 0.000 6.419) 18.469 2.637 ( 13.016 0.000 -14.483) 19.472 2.637 ( -13.016 0.000 14.483) 19.472 3.305 ( -4.675 0.000 -1.088) 4.800 3.305 ( 4.675 0.000 1.088) 4.800 3.453 ( -5.364 0.000 -8.751) 10.264 3.453 ( 5.364 0.000 8.751) 10.264 3.939 ( -3.752 0.000 -0.752) 3.827 3.939 ( 3.752 0.000 0.752) 3.827 4.346 ( -4.016 0.000 -1.601) 4.323 4.346 ( 4.016 0.000 1.601) 4.323 4.568 ( -5.622 0.000 0.026) 5.622 4.568 ( 5.622 0.000 -0.026) 5.622 5.267 ( 1.669 0.000 -0.903) 1.897 5.267 ( -1.669 0.000 0.903) 1.897 5.798 ( 4.443 0.000 -12.335) 13.111 5.798 ( -4.443 0.000 12.335) 13.111 5.912 ( 3.716 0.000 -3.571) 5.153 5.912 ( -3.716 0.000 3.571) 5.153 6.391 ( -17.199 0.000 -7.680) 18.836 6.391 ( 17.199 0.000 7.680) 18.836 6.861 ( -1.770 0.000 -1.089) 2.078 6.861 ( 1.770 0.000 1.089) 2.078 7.313 ( 6.221 0.000 -4.308) 7.567 7.313 ( -6.221 0.000 4.308) 7.567 7.511 ( 3.595 0.000 -6.111) 7.090 7.511 ( -3.595 0.000 6.111) 7.090 7.745 ( 9.210 0.000 -3.717) 9.931 7.745 ( -9.210 0.000 3.717) 9.931 8.058 ( 1.357 0.000 -6.986) 7.117 8.058 ( -1.357 0.000 6.986) 7.117 8.495 ( 6.058 0.000 -8.736) 10.631 8.495 ( -6.058 0.000 8.736) 10.631 9.426 ( -1.190 0.000 -0.734) 1.398 9.426 ( 1.190 0.000 0.734) 1.398 11.178 ( -3.197 0.000 -7.932) 8.552 11.178 ( 3.197 0.000 7.932) 8.552 11.825 ( -4.830 0.000 -0.506) 4.857 11.825 ( 4.830 0.000 0.506) 4.857 13.834 ( -4.830 0.000 -1.297) 5.001 13.834 ( 4.830 0.000 1.297) 5.001 14.226 ( 2.989 0.000 -8.746) 9.242 14.226 ( -2.989 0.000 8.746) 9.242 15.356 ( -0.688 0.000 -0.237) 0.728 15.356 ( 0.688 0.000 0.237) 0.728 15.868 ( 2.175 0.000 -4.738) 5.214 15.868 ( -2.175 0.000 4.738) 5.214 16.208 ( 0.162 0.000 -2.947) 2.951 16.208 ( -0.162 0.000 2.947) 2.951 16.767 ( 0.970 0.000 -6.360) 6.434 16.767 ( -0.970 0.000 6.360) 6.434 18.693 ( -1.725 0.000 -0.861) 1.928 18.693 ( 1.725 0.000 0.861) 1.928 18.845 ( -5.627 0.000 -1.300) 5.775 18.845 ( 5.627 0.000 1.300) 5.775 27.962 ( -1.230 0.000 -1.210) 1.726 27.962 ( 1.230 0.000 1.210) 1.726 28.311 ( -3.177 0.000 -1.125) 3.371 28.311 ( 3.177 0.000 1.125) 3.371 29.224 ( -3.524 0.000 -0.302) 3.537 29.224 ( 3.524 0.000 0.302) 3.537 29.675 ( 6.859 0.000 -8.959) 11.283 29.675 ( -6.859 0.000 8.959) 11.283 30.071 ( -5.037 0.000 -4.999) 7.096 30.071 ( 5.037 0.000 4.999) 7.096 30.835 ( 4.247 0.000 -15.853) 16.412 30.835 ( -4.247 0.000 15.853) 16.412 31.462 ( -4.086 0.000 -10.179) 10.968 31.462 ( 4.086 0.000 10.179) 10.968 33.451 ( 10.646 0.000 -15.544) 18.840 33.451 ( -10.646 0.000 15.544) 18.840 ======================= Grid point 299 (151/168) ======================= q-point: ( 0.00 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -6.585 10.200 -6.502) 13.772 1.416 ( 6.585 10.200 6.502) 13.772 2.403 ( 5.159 14.660 -18.745) 24.350 2.403 ( -5.159 14.660 18.745) 24.350 3.086 ( -3.494 -0.177 -7.276) 8.073 3.086 ( 3.494 -0.177 7.276) 8.073 3.231 ( -12.320 -1.051 -0.537) 12.376 3.231 ( 12.320 -1.051 0.537) 12.376 3.653 ( -6.927 4.068 -12.458) 14.823 3.653 ( 6.927 4.068 12.458) 14.823 4.134 ( 2.120 2.949 -9.491) 10.162 4.134 ( -2.120 2.949 9.491) 10.162 4.730 ( 6.261 -5.007 -7.908) 11.261 4.730 ( -6.261 -5.007 7.908) 11.261 5.212 ( -4.345 -9.363 -4.779) 11.375 5.212 ( 4.345 -9.363 4.779) 11.375 5.822 ( -2.607 2.507 -8.000) 8.780 5.822 ( 2.607 2.507 8.000) 8.780 6.021 ( -0.896 1.473 -3.675) 4.059 6.021 ( 0.896 1.473 3.675) 4.059 6.251 ( -2.665 6.005 -3.380) 7.388 6.251 ( 2.665 6.005 3.380) 7.388 6.698 ( -1.362 -0.806 -6.514) 6.704 6.698 ( 1.362 -0.806 6.514) 6.704 7.114 ( -9.733 -4.357 -0.715) 10.688 7.114 ( 9.733 -4.357 0.715) 10.688 7.361 ( -8.510 6.739 1.391) 10.944 7.361 ( 8.510 6.739 -1.391) 10.944 7.574 ( -9.384 2.722 -1.449) 9.878 7.574 ( 9.384 2.722 1.449) 9.878 8.285 ( 3.257 -2.575 -6.166) 7.434 8.285 ( -3.257 -2.575 6.166) 7.434 8.771 ( -5.689 -5.192 -7.398) 10.680 8.771 ( 5.689 -5.192 7.398) 10.680 9.102 ( -4.134 0.234 -8.169) 9.159 9.102 ( 4.134 0.234 8.169) 9.159 11.171 ( -0.420 5.339 -4.494) 6.991 11.171 ( 0.420 5.339 4.494) 6.991 11.998 ( 1.228 -5.072 -4.774) 7.073 11.998 ( -1.228 -5.072 4.774) 7.073 13.954 ( 2.656 3.505 -3.984) 5.934 13.954 ( -2.656 3.505 3.984) 5.934 14.650 ( 5.025 -3.251 -3.249) 6.810 14.650 ( -5.025 -3.251 3.249) 6.810 15.306 ( -1.529 2.748 0.177) 3.150 15.306 ( 1.529 2.748 -0.177) 3.150 15.725 ( 0.152 -1.563 -3.204) 3.568 15.725 ( -0.152 -1.563 3.204) 3.568 16.585 ( -4.999 -0.309 -3.276) 5.984 16.585 ( 4.999 -0.309 3.276) 5.984 16.811 ( 1.914 -2.214 -2.335) 3.745 16.811 ( -1.914 -2.214 2.335) 3.745 18.059 ( 1.204 0.915 -4.195) 4.460 18.059 ( -1.204 0.915 4.195) 4.460 18.359 ( 4.635 -1.670 -1.982) 5.311 18.359 ( -4.635 -1.670 1.982) 5.311 27.906 ( 0.430 -0.343 -1.236) 1.353 27.906 ( -0.430 -0.343 1.236) 1.353 28.086 ( -1.860 0.988 -3.956) 4.482 28.086 ( 1.860 0.988 3.956) 4.482 29.078 ( -1.576 3.017 -0.186) 3.409 29.078 ( 1.576 3.017 0.186) 3.409 29.585 ( 1.919 -1.575 -6.131) 6.614 29.585 ( -1.919 -1.575 6.131) 6.614 30.573 ( -2.942 4.239 -5.262) 7.370 30.573 ( 2.942 4.239 5.262) 7.370 31.311 ( -4.358 -2.049 -2.364) 5.364 31.311 ( 4.358 -2.049 2.364) 5.364 31.530 ( -14.456 5.853 -3.329) 15.947 31.530 ( 14.456 5.853 3.329) 15.947 32.750 ( -10.717 -7.109 -1.536) 12.952 32.750 ( 10.717 -7.109 1.536) 12.952 ======================= Grid point 301 (152/168) ======================= q-point: ( 0.10 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 23.394 9.526 -3.085) 25.447 1.806 ( 27.193 6.326 6.875) 28.753 2.302 ( 9.137 12.460 -15.863) 22.144 2.570 ( 0.710 14.423 16.264) 21.749 2.918 ( -5.237 6.003 -9.428) 12.343 3.028 ( -11.117 0.569 1.160) 11.192 3.236 ( 3.946 -7.235 2.032) 8.488 3.444 ( 12.840 -4.489 -0.553) 13.613 3.523 ( 11.190 6.692 -9.254) 15.989 3.891 ( 11.321 3.005 -6.585) 13.437 4.039 ( 0.506 7.670 -1.408) 7.814 4.163 ( -1.689 2.061 1.142) 2.899 4.664 ( -7.228 -5.075 1.772) 9.008 4.720 ( 1.396 -5.146 -5.650) 7.769 5.090 ( -2.613 -11.217 -5.507) 12.766 5.302 ( 4.005 -5.845 -1.218) 7.189 5.658 ( -8.418 4.180 -2.809) 9.809 5.864 ( -5.078 -0.050 -2.523) 5.671 5.961 ( -0.584 -0.030 -2.813) 2.873 6.054 ( -0.625 4.993 2.987) 5.852 6.177 ( 2.780 8.596 -6.640) 11.213 6.318 ( 6.279 2.586 -4.812) 8.323 6.644 ( 0.400 -3.448 -2.985) 4.578 6.835 ( 2.369 0.948 9.710) 10.039 7.015 ( -1.600 -1.843 3.594) 4.345 7.185 ( -7.358 2.401 -0.699) 7.772 7.242 ( -5.975 -4.303 2.703) 7.844 7.434 ( 0.959 3.043 3.042) 4.408 7.587 ( 9.406 6.619 5.475) 12.739 7.702 ( 4.817 1.252 1.131) 5.104 8.249 ( 1.959 -3.822 -8.278) 9.326 8.324 ( 0.435 -0.983 4.217) 4.351 8.618 ( -4.377 -4.204 -3.019) 6.778 8.852 ( -0.802 4.288 -5.377) 6.924 9.122 ( 9.041 -9.639 7.100) 15.002 9.323 ( 10.199 -0.094 7.538) 12.683 11.102 ( -1.879 4.873 -4.063) 6.617 11.222 ( -0.305 5.417 4.495) 7.046 11.946 ( 0.297 -5.255 -6.313) 8.219 12.018 ( -1.989 -4.763 2.933) 5.937 13.911 ( -3.047 3.313 -3.449) 5.670 13.942 ( -4.463 3.640 4.644) 7.398 14.560 ( -11.248 -2.858 4.867) 12.584 14.665 ( -0.403 -3.290 -2.010) 3.876 15.269 ( -2.112 3.378 2.489) 4.698 15.358 ( 2.829 2.373 -0.579) 3.738 15.711 ( 1.140 -2.518 -0.448) 2.800 15.773 ( 0.407 -0.641 4.586) 4.648 16.460 ( -6.185 -0.493 -1.988) 6.516 16.601 ( -7.455 -2.144 -1.690) 7.939 16.788 ( 0.434 -1.158 4.526) 4.692 16.822 ( -1.281 -0.954 -0.575) 1.698 18.090 ( 6.848 -0.720 0.219) 6.889 18.178 ( 10.236 2.194 1.137) 10.530 18.327 ( 0.150 -1.487 2.146) 2.615 18.490 ( 12.778 -1.521 -3.102) 13.236 27.910 ( 1.129 -0.711 -0.024) 1.334 27.923 ( 0.635 0.990 0.466) 1.265 28.036 ( -0.195 0.598 -1.250) 1.399 28.173 ( 2.220 -0.028 5.090) 5.554 29.064 ( -0.468 4.106 0.849) 4.219 29.116 ( 2.624 2.738 0.575) 3.836 29.556 ( 1.968 -1.943 -3.875) 4.760 29.637 ( -1.596 -0.730 7.357) 7.564 30.444 ( -5.126 3.635 -5.898) 8.619 30.656 ( 0.762 5.480 3.716) 6.665 31.014 ( -23.511 -0.166 4.417) 23.923 31.216 ( -9.114 2.385 -2.763) 9.817 31.564 ( 9.274 -0.427 -1.717) 9.441 31.874 ( 13.241 5.703 2.954) 14.717 32.436 ( -12.032 -10.656 0.772) 16.091 33.040 ( 22.880 -5.002 -10.489) 25.662 ======================= Grid point 302 (153/168) ======================= q-point: ( 0.20 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 27.024 4.719 -10.347) 29.320 2.169 ( 17.988 12.491 -10.143) 24.135 2.498 ( 24.984 2.042 4.530) 25.474 2.769 ( -3.074 6.031 -1.653) 6.968 2.803 ( 6.488 10.394 14.048) 18.640 2.900 ( -8.282 4.078 4.392) 10.222 3.271 ( 4.492 -6.228 -4.058) 8.685 3.633 ( 8.565 -4.391 -0.967) 9.673 3.707 ( 16.516 6.070 -5.817) 18.532 3.801 ( 11.555 1.631 -20.536) 23.620 4.098 ( -1.664 4.371 -3.463) 5.820 4.226 ( 8.856 6.360 4.135) 11.661 4.570 ( -6.870 -3.366 2.277) 7.982 4.670 ( 2.313 -4.534 -6.507) 8.261 5.014 ( -1.089 -9.147 -2.173) 9.464 5.332 ( 5.036 -1.549 -4.839) 7.154 5.504 ( -8.006 2.126 0.336) 8.290 5.719 ( -4.407 -1.299 -6.628) 8.064 5.899 ( -0.315 0.964 -4.456) 4.570 6.081 ( 0.728 10.625 0.691) 10.672 6.166 ( 2.414 8.640 -3.082) 9.486 6.369 ( 6.095 -3.991 -3.029) 7.890 6.610 ( 0.692 -5.614 -3.904) 6.873 6.925 ( 0.898 1.265 1.257) 1.997 7.060 ( -3.907 -2.973 6.336) 8.016 7.134 ( 5.168 1.378 4.382) 6.915 7.275 ( 1.593 -2.343 4.784) 5.560 7.457 ( -2.226 3.823 2.175) 4.930 7.781 ( 1.465 0.596 4.111) 4.405 7.798 ( 5.285 2.510 6.961) 9.093 8.187 ( 1.542 -5.615 -5.402) 7.943 8.360 ( -0.348 0.759 0.960) 1.272 8.530 ( -3.911 -2.106 -2.335) 5.018 8.747 ( -1.255 6.021 -8.147) 10.208 9.360 ( 7.354 -11.195 6.362) 14.828 9.539 ( 6.637 -1.814 4.756) 8.364 11.028 ( -2.183 3.489 -2.440) 4.784 11.273 ( 0.501 4.900 4.380) 6.591 11.862 ( -0.812 -5.174 -7.429) 9.089 11.999 ( -3.674 -3.768 1.557) 5.488 13.798 ( -5.505 3.287 -2.483) 6.875 13.931 ( -4.531 3.137 5.878) 8.057 14.422 ( -13.905 -2.168 6.637) 15.559 14.585 ( -5.986 -2.981 -2.574) 7.166 15.303 ( 1.834 3.760 2.790) 5.029 15.376 ( -0.086 2.344 0.083) 2.347 15.753 ( 2.743 -3.235 1.974) 4.678 15.842 ( 1.212 0.284 5.041) 5.192 16.349 ( -5.424 -1.452 -1.803) 5.897 16.406 ( -8.682 -1.620 -5.932) 10.639 16.771 ( -4.875 0.020 2.096) 5.306 16.859 ( 0.362 -0.897 3.384) 3.519 18.254 ( 10.042 -2.573 3.186) 10.845 18.367 ( 10.226 0.613 0.555) 10.259 18.420 ( 8.568 1.347 3.174) 9.235 18.670 ( 12.983 -1.276 -2.069) 13.209 27.924 ( -0.006 2.185 -0.494) 2.240 27.938 ( 1.677 -0.487 0.448) 1.803 28.060 ( 2.348 -0.891 1.841) 3.114 28.262 ( 1.508 -1.491 4.736) 5.189 29.085 ( 0.925 5.525 2.102) 5.983 29.174 ( 3.313 3.376 1.299) 4.905 29.559 ( 2.589 -2.247 -2.026) 3.982 29.698 ( -2.295 0.874 8.400) 8.752 30.275 ( -6.903 3.786 -6.842) 10.430 30.659 ( -2.776 8.377 -4.553) 9.931 30.751 ( -18.112 -2.149 11.810) 21.729 31.095 ( -4.648 1.364 1.319) 5.020 31.589 ( -6.549 -4.754 -6.239) 10.219 31.794 ( -3.515 4.837 -8.422) 10.329 32.633 ( 18.599 -9.703 10.457) 23.440 33.237 ( 18.996 -3.180 -12.588) 23.009 ======================= Grid point 303 (154/168) ======================= q-point: ( 0.30 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 19.096 5.287 -12.260) 23.301 2.344 ( 22.142 10.039 -13.515) 27.816 2.723 ( -7.201 1.175 5.266) 8.998 2.796 ( -2.650 1.858 4.263) 5.352 2.956 ( 6.987 2.259 11.547) 13.684 3.117 ( 12.161 7.224 11.161) 18.019 3.324 ( 8.760 3.463 -5.292) 10.805 3.601 ( 2.952 -4.478 -5.846) 7.934 3.831 ( 7.678 4.279 -7.206) 11.366 3.965 ( 20.820 -1.540 -7.756) 22.271 4.012 ( 0.777 0.441 -7.990) 8.040 4.377 ( 5.524 5.970 1.480) 8.267 4.513 ( -3.013 1.082 2.203) 3.886 4.663 ( 4.685 0.054 -5.414) 7.160 5.038 ( 4.265 -6.724 3.202) 8.583 5.333 ( 2.141 4.085 -5.547) 7.214 5.480 ( 0.723 -4.410 5.717) 7.257 5.612 ( 0.522 -3.252 -5.939) 6.791 5.891 ( 6.178 1.653 -3.995) 7.541 6.064 ( -3.678 11.579 2.974) 12.507 6.205 ( 7.613 12.159 -6.737) 15.849 6.430 ( 1.272 -11.279 4.922) 12.371 6.627 ( 6.064 -6.786 -1.967) 9.310 6.922 ( 0.209 0.667 -4.487) 4.541 7.130 ( 1.381 -4.349 5.813) 7.389 7.247 ( 4.315 -1.547 3.947) 6.049 7.367 ( 2.572 1.546 3.185) 4.376 7.431 ( -2.660 2.132 1.478) 3.716 7.805 ( -3.241 -0.227 1.320) 3.507 7.892 ( -3.287 4.217 6.915) 8.741 8.172 ( 2.792 -7.811 -4.944) 9.656 8.317 ( -4.188 0.113 -3.968) 5.770 8.458 ( -3.647 1.038 3.206) 4.965 8.645 ( -0.671 7.429 -6.065) 9.614 9.444 ( -0.205 -9.713 -1.097) 9.777 9.609 ( -1.078 -2.567 -0.845) 2.909 10.995 ( -0.499 1.227 0.962) 1.637 11.325 ( 0.442 2.406 1.760) 3.014 11.767 ( -0.315 -3.585 -6.033) 7.025 11.947 ( -4.628 -2.252 1.453) 5.348 13.723 ( -1.588 2.501 0.101) 2.965 13.929 ( -4.337 2.164 5.651) 7.445 14.288 ( -13.131 -1.960 7.776) 15.386 14.439 ( -6.998 -2.513 -3.876) 8.386 15.364 ( 2.116 3.887 1.534) 4.684 15.370 ( -0.694 3.094 0.874) 3.289 15.821 ( 2.030 -2.157 2.289) 3.744 15.914 ( 1.075 0.093 2.870) 3.066 16.214 ( -4.249 -1.227 -4.930) 6.623 16.276 ( -2.685 -1.292 -2.605) 3.958 16.729 ( -5.261 0.346 4.943) 7.227 16.867 ( -1.321 -1.051 -0.456) 1.749 18.445 ( 8.395 -2.682 3.726) 9.568 18.518 ( 8.885 -1.542 0.503) 9.032 18.615 ( 8.961 2.954 3.154) 9.949 18.830 ( 7.910 -0.880 0.168) 7.961 27.922 ( 0.513 2.067 -0.241) 2.144 27.967 ( 0.987 -0.869 0.505) 1.409 28.132 ( 3.180 -1.534 2.561) 4.362 28.318 ( -0.114 -2.734 2.759) 3.886 29.138 ( 2.337 6.105 2.421) 6.971 29.248 ( 2.800 4.578 2.601) 5.963 29.587 ( 2.576 -2.675 -0.565) 3.756 29.754 ( -2.994 3.252 8.287) 9.392 30.090 ( -5.715 3.289 -6.269) 9.098 30.481 ( -8.942 6.607 -4.209) 11.889 30.711 ( -7.721 -1.394 11.069) 13.567 31.078 ( -3.153 -0.248 2.431) 3.989 31.307 ( -6.108 -2.789 -11.205) 13.063 31.732 ( 2.596 2.366 -8.622) 9.310 33.023 ( 11.445 -9.691 12.919) 19.794 33.359 ( 14.379 -2.241 -11.872) 18.781 ======================= Grid point 304 (155/168) ======================= q-point: ( 0.40 0.14 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 16.414 6.729 -8.455) 19.652 2.510 ( 14.011 4.507 -12.922) 19.586 2.659 ( -6.593 1.547 4.881) 8.348 2.733 ( -10.709 3.894 8.262) 14.075 3.174 ( 2.606 0.019 11.385) 11.680 3.297 ( 8.482 5.156 -3.667) 10.582 3.445 ( 4.325 8.625 3.734) 10.346 3.597 ( 1.591 -4.966 -8.476) 9.952 3.846 ( 3.707 1.202 0.121) 3.899 3.963 ( 0.673 -0.496 -3.695) 3.788 4.202 ( 16.977 -0.663 -3.942) 17.441 4.430 ( -0.844 4.899 1.598) 5.222 4.541 ( 4.807 4.570 -0.462) 6.648 4.666 ( 1.636 3.516 -3.485) 5.214 5.183 ( 5.159 -4.625 5.376) 8.769 5.305 ( 1.922 4.159 -4.520) 6.436 5.569 ( 0.157 -8.932 5.619) 10.554 5.589 ( 4.389 -5.775 -5.947) 9.381 5.998 ( 7.407 1.716 1.044) 7.675 6.091 ( 5.009 12.470 0.603) 13.452 6.230 ( 2.490 10.248 0.642) 10.565 6.533 ( 2.135 -11.514 4.853) 12.676 6.714 ( 4.001 -8.089 0.795) 9.059 6.796 ( -6.061 0.373 -7.737) 9.836 7.216 ( 3.087 -3.015 2.825) 5.158 7.344 ( -0.257 -2.480 -1.189) 2.763 7.398 ( 4.435 -2.909 3.485) 6.346 7.479 ( 0.643 3.392 6.286) 7.172 7.721 ( -2.109 -1.094 -4.674) 5.243 7.869 ( -7.089 2.090 2.578) 7.828 8.124 ( -2.412 -1.472 -3.691) 4.648 8.176 ( -4.599 -0.006 -4.493) 6.429 8.483 ( 0.040 1.876 4.113) 4.520 8.589 ( -1.303 7.246 -1.957) 7.618 9.386 ( -2.355 -7.036 -1.794) 7.633 9.512 ( -4.517 -1.577 -5.823) 7.537 11.041 ( 2.085 -0.803 4.675) 5.181 11.288 ( -2.966 -1.249 -4.793) 5.773 11.750 ( 3.319 -0.830 -0.865) 3.529 11.890 ( -4.655 -1.149 1.114) 4.923 13.751 ( 3.077 1.308 2.046) 3.920 13.912 ( -4.293 1.371 2.471) 5.140 14.198 ( -9.405 -2.391 8.363) 12.811 14.294 ( -3.822 -2.344 -5.801) 7.331 15.380 ( 0.423 3.822 1.389) 4.089 15.402 ( 1.064 4.300 0.337) 4.443 15.860 ( -0.378 -0.228 2.343) 2.384 15.913 ( 0.132 0.501 -3.580) 3.617 16.164 ( -0.100 -1.290 1.107) 1.703 16.222 ( -0.648 -1.622 -2.488) 3.040 16.723 ( -3.588 -0.103 6.359) 7.302 16.819 ( -1.062 -1.002 -3.836) 4.104 18.593 ( 4.749 -2.051 3.594) 6.299 18.643 ( 6.307 -2.170 -1.120) 6.764 18.758 ( 5.966 2.629 2.074) 6.841 18.903 ( 0.583 -0.023 0.300) 0.656 27.936 ( 1.166 0.987 0.264) 1.550 27.976 ( -0.283 -0.704 -0.033) 0.759 28.211 ( 3.149 -2.197 2.264) 4.457 28.321 ( -1.683 -3.146 0.357) 3.585 29.210 ( 3.638 5.557 1.781) 6.877 29.301 ( -0.222 5.052 2.172) 5.504 29.623 ( 2.636 -1.903 -0.011) 3.251 29.759 ( -5.484 3.848 2.727) 7.233 30.015 ( 1.384 3.215 1.649) 3.869 30.299 ( -6.904 6.042 -5.829) 10.870 30.737 ( -6.361 -1.565 12.814) 14.391 30.947 ( -1.136 -3.778 -13.485) 14.050 31.300 ( 3.599 1.294 6.997) 7.974 31.634 ( -1.080 1.038 -10.410) 10.517 33.273 ( 3.708 -7.945 10.254) 13.491 33.416 ( 7.977 -3.093 -9.301) 12.638 ======================= Grid point 305 (156/168) ======================= q-point: (-0.50 0.14 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.734 4.623 -5.998) 7.608 2.426 ( -0.734 4.623 5.998) 7.608 2.679 ( 10.816 3.789 -11.363) 16.139 2.679 ( -10.816 3.789 11.363) 16.139 3.317 ( 0.402 0.779 -8.636) 8.680 3.317 ( -0.402 0.779 8.636) 8.680 3.506 ( 2.643 3.978 -7.093) 8.552 3.506 ( -2.643 3.978 7.093) 8.552 3.921 ( -1.101 -0.538 -3.395) 3.609 3.921 ( 1.101 -0.538 3.395) 3.609 4.379 ( -5.722 2.438 -1.209) 6.336 4.379 ( 5.722 2.438 1.209) 6.336 4.622 ( -4.257 4.671 -0.486) 6.339 4.622 ( 4.257 4.671 0.486) 6.339 5.277 ( 3.006 0.526 -6.870) 7.518 5.277 ( -3.006 0.526 6.870) 7.518 5.596 ( 4.475 -8.816 -5.753) 11.438 5.596 ( -4.475 -8.816 5.753) 11.438 6.100 ( 0.230 7.580 -6.548) 10.019 6.100 ( -0.230 7.580 6.548) 10.019 6.425 ( -10.641 2.939 -8.647) 14.022 6.425 ( 10.641 2.939 8.647) 14.022 6.728 ( -2.253 -9.131 -0.027) 9.405 6.728 ( 2.253 -9.131 0.027) 9.405 7.290 ( 3.924 -1.617 -8.217) 9.248 7.290 ( -3.924 -1.617 8.217) 9.248 7.504 ( 3.769 -2.545 -2.367) 5.127 7.504 ( -3.769 -2.545 2.367) 5.127 7.740 ( -8.876 0.360 1.297) 8.977 7.740 ( 8.876 0.360 -1.297) 8.977 8.092 ( 3.468 1.158 -7.592) 8.426 8.092 ( -3.468 1.158 7.592) 8.426 8.537 ( 4.430 4.790 -8.241) 10.511 8.537 ( -4.430 4.790 8.241) 10.511 9.392 ( -2.013 -3.232 -3.840) 5.408 9.392 ( 2.013 -3.232 3.840) 5.408 11.158 ( -3.325 -1.890 -7.140) 8.100 11.158 ( 3.325 -1.890 7.140) 8.100 11.820 ( -4.675 -0.472 -0.323) 4.709 11.820 ( 4.675 -0.472 0.323) 4.709 13.842 ( -3.602 0.891 -2.192) 4.310 13.842 ( 3.602 0.891 2.192) 4.310 14.199 ( 3.151 -2.457 -8.776) 9.643 14.199 ( -3.151 -2.457 8.776) 9.643 15.403 ( 0.464 4.298 -1.651) 4.627 15.403 ( -0.464 4.298 1.651) 4.627 15.878 ( 2.011 0.800 -4.578) 5.064 15.878 ( -2.011 0.800 4.578) 5.064 16.190 ( -0.021 -1.658 -2.570) 3.058 16.190 ( 0.021 -1.658 2.570) 3.058 16.759 ( 1.008 -0.689 -5.953) 6.077 16.759 ( -1.008 -0.689 5.953) 6.077 18.669 ( 1.393 -1.899 -4.156) 4.777 18.669 ( -1.393 -1.899 4.156) 4.777 18.863 ( -1.954 1.297 -2.928) 3.752 18.863 ( 1.954 1.297 2.928) 3.752 27.960 ( -0.352 -0.057 -0.980) 1.043 27.960 ( 0.352 -0.057 0.980) 1.043 28.279 ( -2.192 -2.835 -1.646) 3.944 28.279 ( 2.192 -2.835 1.646) 3.944 29.282 ( -2.114 4.963 -0.903) 5.470 29.282 ( 2.114 4.963 0.903) 5.470 29.681 ( 3.678 0.884 -7.083) 8.030 29.681 ( -3.678 0.884 7.083) 8.030 30.130 ( -4.882 4.943 -6.771) 9.701 30.130 ( 4.882 4.943 6.771) 9.701 30.809 ( 4.206 -2.365 -14.621) 15.397 30.809 ( -4.206 -2.365 14.621) 15.397 31.470 ( -3.645 0.797 -10.765) 11.393 31.470 ( 3.645 0.797 10.765) 11.393 33.392 ( 8.094 -5.251 -14.883) 17.736 33.392 ( -8.094 -5.251 14.883) 17.736 ======================= Grid point 311 (157/168) ======================= q-point: ( 0.00 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -3.382 11.439 -4.897) 12.895 1.657 ( 3.382 11.439 4.897) 12.895 2.719 ( 0.188 12.870 -14.710) 19.546 2.719 ( -0.188 12.870 14.710) 19.546 3.061 ( 5.413 -1.702 -7.087) 9.078 3.061 ( -5.413 -1.702 7.087) 9.078 3.229 ( -6.226 1.468 -4.461) 7.798 3.229 ( 6.226 1.468 4.461) 7.798 3.749 ( -3.789 3.919 -13.868) 14.901 3.749 ( 3.789 3.919 13.868) 14.901 4.182 ( -0.646 0.957 -5.136) 5.264 4.182 ( 0.646 0.957 5.136) 5.264 4.691 ( 5.258 1.957 -5.992) 8.208 4.691 ( -5.258 1.957 5.992) 8.208 5.000 ( -4.318 -9.278 -4.603) 11.221 5.000 ( 4.318 -9.278 4.603) 11.221 5.864 ( 2.334 1.539 -7.260) 7.780 5.864 ( -2.334 1.539 7.260) 7.780 6.035 ( -5.042 -0.364 0.218) 5.060 6.035 ( 5.042 -0.364 -0.218) 5.060 6.346 ( -1.480 2.408 -5.619) 6.290 6.346 ( 1.480 2.408 5.619) 6.290 6.718 ( -3.831 2.253 -5.799) 7.306 6.718 ( 3.831 2.253 5.799) 7.306 7.029 ( -6.754 -3.205 -0.471) 7.491 7.029 ( 6.754 -3.205 0.471) 7.491 7.492 ( 3.754 5.725 -2.709) 7.362 7.492 ( -3.754 5.725 2.709) 7.362 7.639 ( -6.847 2.561 -2.062) 7.596 7.639 ( 6.847 2.561 2.062) 7.596 8.234 ( 1.292 -1.738 -5.660) 6.060 8.234 ( -1.292 -1.738 5.660) 6.060 8.639 ( -5.422 -6.541 -6.878) 10.931 8.639 ( 5.422 -6.541 6.878) 10.931 9.103 ( -4.639 -0.229 -7.066) 8.456 9.103 ( 4.639 -0.229 7.066) 8.456 11.307 ( 0.533 7.185 -5.596) 9.123 11.307 ( -0.533 7.185 5.596) 9.123 11.864 ( 1.692 -7.173 -5.488) 9.189 11.864 ( -1.692 -7.173 5.488) 9.189 14.051 ( 2.466 5.409 -4.118) 7.232 14.051 ( -2.466 5.409 4.118) 7.232 14.562 ( 3.250 -4.863 -3.100) 6.620 14.562 ( -3.250 -4.863 3.100) 6.620 15.383 ( 4.082 4.421 -2.404) 6.479 15.383 ( -4.082 4.421 2.404) 6.479 15.677 ( 0.730 -3.020 -4.880) 5.785 15.677 ( -0.730 -3.020 4.880) 5.785 16.579 ( -4.548 -0.183 -2.296) 5.098 16.579 ( 4.548 -0.183 2.296) 5.098 16.754 ( -0.692 -2.963 -2.009) 3.646 16.754 ( 0.692 -2.963 2.009) 3.646 18.091 ( 0.818 2.143 -3.603) 4.271 18.091 ( -0.818 2.143 3.603) 4.271 18.312 ( 3.612 -2.658 -2.227) 5.008 18.312 ( -3.612 -2.658 2.227) 5.008 27.903 ( 0.011 0.077 -0.983) 0.986 27.903 ( -0.011 0.077 0.983) 0.986 28.098 ( -1.246 0.071 -2.872) 3.131 28.098 ( 1.246 0.071 2.872) 3.131 29.168 ( 1.379 5.356 -1.745) 5.799 29.168 ( -1.379 5.356 1.745) 5.799 29.536 ( 0.529 -3.049 -4.834) 5.740 29.536 ( -0.529 -3.049 4.834) 5.740 30.673 ( -3.958 4.848 -4.923) 7.963 30.673 ( 3.958 4.848 4.923) 7.963 31.252 ( -7.689 -3.404 -2.121) 8.672 31.252 ( 7.689 -3.404 2.121) 8.672 31.707 ( -16.709 10.813 -5.249) 20.583 31.707 ( 16.709 10.813 5.249) 20.583 32.551 ( -16.074 -11.503 -3.625) 20.095 32.551 ( 16.074 -11.503 3.625) 20.095 ======================= Grid point 313 (158/168) ======================= q-point: ( 0.10 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 19.730 12.197 -3.606) 23.475 1.954 ( 23.283 6.828 5.545) 24.890 2.578 ( 2.288 11.598 -11.410) 16.430 2.887 ( -0.777 14.073 12.126) 18.592 3.027 ( -0.632 4.010 -7.083) 8.164 3.029 ( -3.168 -3.908 1.460) 5.238 3.120 ( -0.873 -0.146 -3.945) 4.043 3.351 ( 7.891 -4.206 -0.705) 8.970 3.686 ( 13.769 8.103 -8.075) 17.902 3.958 ( 6.789 2.807 -3.707) 8.229 4.116 ( 2.105 -1.563 -2.638) 3.719 4.241 ( 2.454 4.265 2.884) 5.704 4.582 ( -6.999 -2.166 -1.626) 7.505 4.692 ( 1.854 4.273 -6.353) 7.878 4.899 ( -4.107 -5.713 -0.202) 7.039 5.112 ( 4.212 -10.965 2.105) 11.933 5.753 ( -6.087 4.545 -3.978) 8.575 5.880 ( -5.596 1.481 -0.488) 5.809 5.956 ( 0.516 -0.773 -4.663) 4.755 6.091 ( 4.850 -0.840 -1.491) 5.143 6.284 ( 4.258 1.628 -8.457) 9.607 6.421 ( 2.903 4.105 -1.195) 5.168 6.635 ( -3.413 3.632 0.170) 4.987 6.866 ( 0.547 2.397 7.760) 8.140 6.950 ( -1.806 -4.173 5.805) 7.374 7.091 ( -0.733 -7.177 4.072) 8.284 7.300 ( -12.141 5.765 -5.913) 14.683 7.495 ( 1.153 2.526 3.533) 4.494 7.714 ( 8.295 4.105 2.636) 9.623 7.735 ( 3.584 1.458 -2.419) 4.563 8.190 ( 0.831 -0.481 -6.249) 6.322 8.306 ( 3.031 -0.611 4.009) 5.063 8.537 ( -1.611 -3.029 -2.323) 4.143 8.863 ( 8.375 -9.253 10.579) 16.361 8.973 ( -1.360 1.981 -7.413) 7.793 9.282 ( 7.917 -3.727 5.801) 10.499 11.235 ( -1.349 7.375 -5.910) 9.546 11.352 ( -1.257 6.447 4.868) 8.175 11.812 ( 0.301 -6.953 -6.170) 9.301 11.890 ( -1.957 -7.054 3.873) 8.282 14.004 ( -4.150 5.250 -1.848) 6.943 14.041 ( -4.861 5.362 4.629) 8.591 14.485 ( -9.510 -3.937 4.075) 11.070 14.573 ( -1.113 -5.224 -0.940) 5.423 15.366 ( -1.526 5.660 3.122) 6.642 15.421 ( 3.248 3.539 -1.737) 5.108 15.651 ( 1.361 -3.201 -2.024) 4.025 15.736 ( 0.126 -3.015 6.079) 6.787 16.452 ( -7.019 -0.165 -2.149) 7.343 16.546 ( -7.523 -2.832 -3.352) 8.709 16.762 ( 1.302 -1.155 4.478) 4.804 16.793 ( -0.149 -1.668 1.166) 2.041 18.092 ( 3.887 1.041 1.206) 4.200 18.221 ( 9.681 1.147 0.108) 9.749 18.294 ( 2.788 -0.855 2.421) 3.790 18.447 ( 13.175 -2.524 -3.120) 13.773 27.901 ( 0.096 -0.033 0.844) 0.851 27.934 ( 1.518 0.003 1.377) 2.049 28.056 ( -0.595 1.159 -1.675) 2.122 28.156 ( 1.332 -1.566 3.403) 3.975 29.177 ( 0.283 5.884 2.083) 6.249 29.203 ( 2.249 5.633 1.916) 6.361 29.505 ( 0.689 -2.828 -2.070) 3.572 29.603 ( 0.204 -2.628 6.878) 7.365 30.537 ( -6.660 4.798 -3.671) 8.992 30.748 ( -4.753 1.630 6.979) 8.599 31.051 ( -9.291 4.725 -1.459) 10.525 31.293 ( -9.567 4.609 -3.822) 11.286 31.532 ( 4.840 -1.946 -2.587) 5.823 32.061 ( 10.197 11.200 1.181) 15.192 32.160 ( -11.071 -14.273 -2.087) 18.184 32.882 ( 22.361 -10.085 -6.438) 25.360 ======================= Grid point 314 (159/168) ======================= q-point: ( 0.20 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 22.703 10.416 -8.511) 26.388 2.387 ( 20.688 6.863 -0.316) 21.798 2.591 ( 13.661 5.784 -2.448) 15.035 2.866 ( -2.324 2.523 -8.435) 9.106 2.966 ( -0.619 5.823 1.815) 6.131 3.019 ( 1.409 3.328 2.994) 4.693 3.203 ( 4.390 2.221 9.589) 10.777 3.507 ( 12.472 -7.060 -2.759) 14.594 3.844 ( 3.603 2.503 -3.706) 5.743 3.894 ( 13.543 9.585 -15.101) 22.435 4.109 ( 1.994 -2.761 -9.402) 10.000 4.372 ( 8.476 4.132 0.319) 9.435 4.528 ( 1.172 -0.254 3.254) 3.468 4.635 ( -0.232 4.905 -3.941) 6.296 4.866 ( -2.239 -4.804 3.261) 6.223 5.195 ( 5.601 -10.012 -0.296) 11.476 5.593 ( -6.229 5.490 -4.536) 9.461 5.746 ( -7.424 2.636 -1.918) 8.109 5.921 ( 2.186 1.299 -4.967) 5.580 6.168 ( 8.210 -0.283 -4.186) 9.220 6.291 ( 3.579 -1.046 -1.776) 4.130 6.400 ( 2.685 5.992 -7.869) 10.248 6.569 ( -6.636 4.063 0.724) 7.815 6.930 ( 1.024 0.034 4.172) 4.296 6.961 ( -5.916 -7.248 6.346) 11.305 7.173 ( 1.025 3.881 -1.674) 4.349 7.228 ( 6.047 -2.734 8.872) 11.080 7.532 ( -1.231 3.118 0.481) 3.386 7.745 ( 4.888 -3.414 -3.124) 6.731 7.868 ( 4.149 0.767 4.705) 6.320 8.116 ( -1.923 1.388 -4.748) 5.308 8.365 ( 0.011 -0.744 -0.239) 0.782 8.508 ( -1.188 0.626 0.608) 1.474 8.882 ( -0.059 6.083 -6.334) 8.782 9.092 ( 5.981 -12.674 7.094) 15.707 9.454 ( 6.528 -6.335 2.658) 9.477 11.135 ( -2.792 6.398 -5.296) 8.762 11.380 ( -1.417 4.397 3.076) 5.550 11.739 ( -0.273 -5.701 -5.748) 8.100 11.892 ( -2.700 -6.017 3.105) 7.289 13.893 ( -6.931 5.515 -0.703) 8.885 14.013 ( -6.267 4.241 6.098) 9.719 14.366 ( -12.015 -2.882 5.282) 13.438 14.501 ( -6.163 -4.839 -1.193) 7.926 15.406 ( 1.662 5.483 2.552) 6.273 15.443 ( 1.492 4.240 -0.479) 4.520 15.683 ( 3.122 -3.457 1.448) 4.878 15.818 ( 1.213 -2.694 5.935) 6.630 16.320 ( -6.710 -1.056 -2.040) 7.093 16.366 ( -7.410 -2.030 -4.836) 9.078 16.770 ( -3.774 -0.075 2.523) 4.540 16.832 ( -0.068 -1.617 3.204) 3.589 18.222 ( 8.621 -0.367 2.857) 9.089 18.343 ( 7.142 -2.272 0.872) 7.545 18.471 ( 12.538 2.930 1.965) 13.025 18.634 ( 13.653 -2.069 -2.277) 13.995 27.921 ( 0.600 -0.253 1.445) 1.585 27.967 ( 0.413 0.709 0.956) 1.260 28.051 ( 1.268 0.438 0.407) 1.402 28.211 ( 0.864 -3.205 2.820) 4.355 29.219 ( 1.540 6.045 2.318) 6.655 29.283 ( 2.444 7.150 5.373) 9.272 29.509 ( 1.369 -2.243 -0.155) 2.632 29.695 ( -0.231 -1.388 8.986) 9.096 30.379 ( -8.127 5.628 -3.652) 10.538 30.680 ( -13.038 -3.888 8.758) 16.180 30.884 ( -6.867 12.007 -8.029) 15.994 31.156 ( -3.392 4.882 1.927) 6.249 31.476 ( -10.995 -6.155 -6.945) 14.388 31.811 ( 0.436 -5.641 -11.921) 13.195 32.500 ( 19.064 0.272 8.334) 20.808 33.113 ( 18.194 -8.647 -8.966) 22.049 ======================= Grid point 315 (160/168) ======================= q-point: ( 0.30 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 16.521 10.157 -6.843) 20.565 2.549 ( 15.279 8.295 -12.669) 21.511 2.750 ( -4.121 0.919 -1.234) 4.399 2.826 ( 6.205 1.516 -1.647) 6.596 3.038 ( 5.823 5.503 6.943) 10.602 3.176 ( 8.292 -4.875 6.696) 11.720 3.406 ( 5.077 5.160 11.969) 13.988 3.569 ( 2.332 -0.102 -7.192) 7.561 3.863 ( 6.415 -0.007 -3.097) 7.123 3.950 ( 10.790 -2.426 -10.073) 14.959 4.063 ( 7.747 6.536 -10.443) 14.553 4.474 ( 8.227 0.851 -3.950) 9.166 4.595 ( -2.468 7.848 6.299) 10.362 4.673 ( 9.364 2.813 -2.387) 10.064 4.914 ( 2.356 -5.517 5.582) 8.195 5.283 ( 6.703 -7.733 -2.476) 10.529 5.499 ( -1.360 5.989 -0.802) 6.194 5.642 ( -4.193 4.125 0.229) 5.886 5.928 ( 6.127 1.958 -4.524) 7.864 6.218 ( 0.994 -4.990 -0.906) 5.168 6.318 ( 2.002 8.437 -1.689) 8.835 6.395 ( 8.531 -0.919 -8.547) 12.111 6.490 ( -1.564 1.714 1.453) 2.737 6.958 ( -1.557 2.621 1.055) 3.226 7.014 ( -0.121 -7.677 8.805) 11.682 7.209 ( 3.889 1.019 -0.064) 4.020 7.357 ( 1.578 -2.168 0.837) 2.809 7.501 ( -1.729 3.428 1.425) 4.095 7.776 ( 0.398 -3.092 -2.688) 4.116 7.963 ( 3.543 -8.358 1.157) 9.152 8.022 ( -4.225 4.258 -2.208) 6.392 8.296 ( -5.199 -2.088 -3.372) 6.539 8.513 ( -0.533 4.566 3.345) 5.685 8.828 ( 0.566 9.445 -3.725) 10.169 9.191 ( 0.437 -12.872 1.734) 12.996 9.521 ( 1.290 -6.319 -2.341) 6.861 11.046 ( -1.829 3.763 -2.728) 4.995 11.352 ( -3.528 -0.784 -1.893) 4.079 11.700 ( 1.663 -1.739 -1.816) 3.015 11.879 ( -3.206 -3.991 2.874) 5.871 13.803 ( -3.801 5.071 0.921) 6.404 13.985 ( -6.143 2.738 6.135) 9.104 14.236 ( -11.628 -2.666 5.102) 12.975 14.368 ( -7.598 -4.113 -2.166) 8.907 15.445 ( 1.290 4.292 0.713) 4.538 15.479 ( 2.316 6.325 1.036) 6.815 15.768 ( 3.387 -2.755 3.419) 5.546 15.896 ( 0.902 -2.095 3.814) 4.444 16.190 ( -4.317 -0.742 -3.468) 5.587 16.242 ( -3.694 -1.842 -2.184) 4.670 16.737 ( -4.521 0.523 3.734) 5.887 16.835 ( -1.734 -1.944 0.024) 2.605 18.401 ( 8.097 -1.249 4.136) 9.177 18.479 ( 8.583 -2.210 0.351) 8.870 18.673 ( 9.657 2.611 1.558) 10.125 18.804 ( 9.332 -1.567 -0.680) 9.487 27.946 ( 0.557 -0.138 1.010) 1.162 27.970 ( -0.507 1.441 0.380) 1.574 28.098 ( 2.303 -1.443 1.923) 3.329 28.242 ( -0.022 -4.242 1.235) 4.418 29.274 ( 2.300 5.952 1.886) 6.653 29.384 ( 0.625 7.510 6.503) 9.954 29.543 ( 2.169 -0.874 1.413) 2.732 29.795 ( -1.482 0.273 10.085) 10.197 30.200 ( -7.590 6.965 -4.528) 11.253 30.573 ( -11.823 -0.500 5.480) 13.041 30.720 ( -2.607 4.114 -4.111) 6.374 31.061 ( -10.630 -2.387 -6.413) 12.642 31.276 ( 1.295 1.735 -1.764) 2.792 31.745 ( 3.887 -2.417 -11.201) 12.100 32.861 ( 12.866 -3.832 9.670) 16.545 33.254 ( 13.036 -7.581 -9.479) 17.812 ======================= Grid point 316 (161/168) ======================= q-point: ( 0.40 0.29 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 9.770 8.912 -2.069) 13.385 2.619 ( 9.507 5.361 -14.698) 18.307 2.699 ( 1.658 2.192 1.216) 3.006 2.830 ( -5.317 5.462 4.399) 8.801 3.201 ( 3.554 1.715 6.694) 7.771 3.323 ( 3.548 -8.140 0.643) 8.903 3.524 ( 2.498 2.708 -4.178) 5.570 3.558 ( -0.808 -0.356 3.078) 3.202 3.889 ( 2.307 3.799 4.070) 6.026 4.034 ( 5.760 7.149 -10.153) 13.688 4.170 ( 15.030 -2.447 1.694) 15.322 4.519 ( 2.599 0.291 -5.722) 6.291 4.657 ( 1.355 8.119 6.501) 10.488 4.760 ( 4.985 6.494 -3.371) 8.854 5.063 ( 6.308 -6.698 6.822) 11.454 5.313 ( 2.855 -5.446 -6.473) 8.927 5.516 ( 1.310 6.274 2.603) 6.918 5.604 ( -1.271 5.636 -0.398) 5.791 6.012 ( 8.507 -0.844 -1.783) 8.732 6.195 ( -1.802 -7.294 -1.258) 7.617 6.355 ( 4.194 5.494 0.548) 6.934 6.432 ( 5.642 -1.045 -4.568) 7.334 6.556 ( 3.684 0.614 3.628) 5.207 6.874 ( -8.786 5.775 -0.971) 10.559 7.138 ( 0.946 -7.127 10.278) 12.543 7.281 ( 7.693 0.174 -4.704) 9.018 7.337 ( -0.797 -3.149 -1.473) 3.567 7.502 ( -5.941 -1.088 5.222) 7.984 7.702 ( 0.343 -0.566 -5.342) 5.383 7.893 ( -2.043 -2.154 -8.750) 9.240 8.030 ( -0.573 -4.741 2.798) 5.535 8.154 ( -7.057 -2.643 -2.689) 8.001 8.582 ( 2.727 7.301 5.276) 9.412 8.795 ( -1.964 11.830 -1.959) 12.151 9.199 ( 0.462 -10.277 2.069) 10.494 9.446 ( -3.350 -5.093 -6.895) 9.204 11.031 ( 1.265 0.252 1.207) 1.767 11.237 ( -4.978 -3.721 -5.052) 8.009 11.742 ( 3.550 0.330 0.772) 3.648 11.855 ( -3.488 -2.073 1.891) 4.477 13.803 ( 1.379 3.686 2.092) 4.457 13.953 ( -5.005 2.437 2.777) 6.221 14.132 ( -8.164 -3.598 5.571) 10.518 14.229 ( -5.081 -3.767 -3.990) 7.478 15.481 ( 1.401 5.490 1.705) 5.917 15.517 ( 1.683 6.193 -0.464) 6.434 15.847 ( 1.543 -1.030 3.159) 3.663 15.917 ( -0.476 -0.514 -0.407) 0.810 16.134 ( -0.359 -1.249 -0.206) 1.316 16.180 ( -1.604 -2.162 -1.560) 3.112 16.721 ( -3.331 -0.049 4.535) 5.627 16.790 ( -1.392 -1.742 -2.862) 3.628 18.552 ( 4.356 -1.491 4.487) 6.429 18.598 ( 6.429 -2.180 -1.448) 6.941 18.807 ( 5.661 2.070 1.159) 6.138 18.896 ( 2.752 -0.702 -0.469) 2.878 27.959 ( 0.787 0.723 -0.455) 1.161 27.968 ( -0.881 0.578 1.110) 1.531 28.157 ( 2.082 -2.747 2.037) 4.004 28.239 ( -0.911 -4.362 -0.431) 4.476 29.334 ( 3.098 5.497 1.135) 6.411 29.426 ( -2.520 5.403 3.295) 6.812 29.615 ( 3.824 1.949 2.783) 5.115 29.829 ( -6.455 2.231 3.799) 7.815 30.112 ( 0.728 5.982 2.351) 6.469 30.416 ( -7.889 3.686 -4.801) 9.943 30.702 ( -3.096 -1.293 6.594) 7.398 30.848 ( -1.428 -5.146 -10.932) 12.167 31.354 ( 3.074 4.106 6.225) 8.066 31.644 ( 0.009 -0.655 -11.457) 11.476 33.118 ( 5.817 -5.685 9.307) 12.360 33.306 ( 6.910 -6.907 -9.028) 13.302 ======================= Grid point 317 (162/168) ======================= q-point: (-0.50 0.29 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 2.550 5.934 -8.513) 10.686 2.538 ( -2.550 5.934 8.513) 10.686 2.778 ( 8.079 5.342 -6.267) 11.536 2.778 ( -8.079 5.342 6.267) 11.536 3.308 ( -0.431 -3.090 -6.036) 6.795 3.308 ( 0.431 -3.090 6.036) 6.795 3.536 ( 4.446 -1.222 -4.626) 6.532 3.536 ( -4.446 -1.222 4.626) 6.532 3.984 ( 1.151 6.755 -8.111) 10.618 3.984 ( -1.151 6.755 8.111) 10.618 4.409 ( -7.713 -0.781 -5.869) 9.723 4.409 ( 7.713 -0.781 5.869) 9.723 4.748 ( 0.717 7.912 -5.978) 9.942 4.748 ( -0.717 7.912 5.978) 9.942 5.227 ( 0.547 -5.750 -10.530) 12.010 5.227 ( -0.547 -5.750 10.530) 12.010 5.571 ( -0.075 6.388 -3.390) 7.232 5.571 ( 0.075 6.388 3.390) 7.232 6.127 ( -4.979 -5.042 -1.430) 7.229 6.127 ( 4.979 -5.042 1.430) 7.229 6.430 ( -0.694 -1.801 -2.566) 3.211 6.430 ( 0.694 -1.801 2.566) 3.211 6.693 ( -7.301 6.364 -5.773) 11.275 6.693 ( 7.301 6.364 5.773) 11.275 7.253 ( 1.931 -3.398 -10.145) 10.872 7.253 ( -1.931 -3.398 10.145) 10.872 7.404 ( -5.153 -4.222 -1.575) 6.845 7.404 ( 5.153 -4.222 1.575) 6.845 7.753 ( -5.409 -0.168 -3.337) 6.357 7.753 ( 5.409 -0.168 3.337) 6.357 8.054 ( 2.524 -4.206 -4.845) 6.894 8.054 ( -2.524 -4.206 4.845) 6.894 8.701 ( -1.244 10.131 -6.973) 12.361 8.701 ( 1.244 10.131 6.973) 12.361 9.294 ( -4.091 -6.076 -7.150) 10.236 9.294 ( 4.091 -6.076 7.150) 10.236 11.108 ( -3.083 -2.644 -4.905) 6.368 11.108 ( 3.083 -2.644 4.905) 6.368 11.808 ( -3.584 -0.509 -0.098) 3.621 11.808 ( 3.584 -0.509 0.098) 3.621 13.878 ( -0.684 2.665 -4.300) 5.106 13.878 ( 0.684 2.665 4.300) 5.106 14.132 ( 3.280 -3.853 -8.518) 9.907 14.132 ( -3.280 -3.853 8.518) 9.907 15.516 ( 0.933 6.052 -2.671) 6.681 15.516 ( -0.933 6.052 2.671) 6.681 15.892 ( 1.036 0.248 -3.637) 3.789 15.892 ( -1.036 0.248 3.637) 3.789 16.148 ( -0.530 -2.111 -1.370) 2.571 16.148 ( 0.530 -2.111 1.370) 2.571 16.740 ( 0.931 -1.060 -4.547) 4.761 16.740 ( -0.931 -1.060 4.547) 4.761 18.629 ( 1.427 -1.790 -4.076) 4.675 18.629 ( -1.427 -1.790 4.076) 4.675 18.885 ( -0.230 0.767 -2.791) 2.904 18.885 ( 0.230 0.767 2.791) 2.904 27.965 ( 1.112 0.612 -1.072) 1.661 27.965 ( -1.112 0.612 1.072) 1.661 28.207 ( -0.892 -3.765 -2.046) 4.377 28.207 ( 0.892 -3.765 2.046) 4.377 29.394 ( -2.018 4.889 -0.482) 5.311 29.394 ( 2.018 4.889 0.482) 5.311 29.723 ( -2.465 3.128 -4.557) 6.052 29.723 ( 2.465 3.128 4.557) 6.052 30.235 ( -4.498 4.332 -8.306) 10.392 30.235 ( 4.498 4.332 8.306) 10.392 30.749 ( 3.735 -2.991 -10.743) 11.760 30.749 ( -3.735 -2.991 10.743) 11.760 31.496 ( -2.487 1.579 -10.093) 10.514 31.496 ( 2.487 1.579 10.093) 10.514 33.263 ( 3.947 -6.361 -11.946) 14.098 33.263 ( -3.947 -6.361 11.946) 14.098 ======================= Grid point 323 (163/168) ======================= q-point: ( 0.00 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.003 4.886 -1.831) 5.313 1.837 ( 1.003 4.886 1.831) 5.313 2.861 ( -2.102 1.544 -5.539) 6.122 2.861 ( 2.102 1.544 5.539) 6.122 3.061 ( 6.591 1.343 -4.653) 8.179 3.061 ( -6.591 1.343 4.653) 8.179 3.276 ( -1.513 1.972 -3.739) 4.490 3.276 ( 1.513 1.972 3.739) 4.490 3.783 ( -0.598 -0.199 -6.908) 6.937 3.783 ( 0.598 -0.199 6.908) 6.937 4.205 ( -0.763 1.592 -2.981) 3.465 4.205 ( 0.763 1.592 2.981) 3.465 4.697 ( -4.496 -2.564 -1.133) 5.298 4.697 ( 4.496 -2.564 1.133) 5.298 4.923 ( -1.314 1.453 -0.786) 2.111 4.923 ( 1.314 1.453 0.786) 2.111 5.896 ( 2.542 1.585 -4.486) 5.394 5.896 ( -2.542 1.585 4.486) 5.394 6.004 ( 0.302 -2.105 -1.777) 2.771 6.004 ( -0.302 -2.105 1.777) 2.771 6.372 ( -0.706 0.547 -3.645) 3.753 6.372 ( 0.706 0.547 3.645) 3.753 6.736 ( -1.315 -0.528 -3.866) 4.118 6.736 ( 1.315 -0.528 3.866) 4.118 7.006 ( -0.375 0.484 -1.835) 1.935 7.006 ( 0.375 0.484 1.835) 1.935 7.595 ( -1.470 3.992 -4.242) 6.007 7.595 ( 1.470 3.992 4.242) 6.007 7.654 ( -4.656 -1.155 -4.448) 6.542 7.654 ( 4.656 -1.155 4.448) 6.542 8.218 ( -0.231 -0.091 -2.428) 2.441 8.218 ( 0.231 -0.091 2.428) 2.441 8.535 ( -1.761 -2.861 -2.628) 4.266 8.535 ( 1.761 -2.861 2.628) 4.266 9.094 ( -1.698 -0.428 -2.785) 3.290 9.094 ( 1.698 -0.428 2.785) 3.290 11.442 ( 0.951 4.748 -4.138) 6.370 11.442 ( -0.951 4.748 4.138) 6.370 11.729 ( 1.374 -4.800 -4.038) 6.421 11.729 ( -1.374 -4.800 4.038) 6.421 14.154 ( 1.446 3.569 -2.480) 4.580 14.154 ( -1.446 3.569 2.480) 4.580 14.469 ( 1.589 -3.269 -2.037) 4.167 14.469 ( -1.589 -3.269 2.037) 4.167 15.479 ( 2.428 4.223 -3.087) 5.767 15.479 ( -2.428 4.223 3.087) 5.767 15.604 ( 1.227 -3.607 -4.262) 5.717 15.604 ( -1.227 -3.607 4.262) 5.717 16.579 ( -2.238 0.121 -0.952) 2.435 16.579 ( 2.238 0.121 0.952) 2.435 16.703 ( -0.851 -1.517 -1.047) 2.030 16.703 ( 0.851 -1.517 1.047) 2.030 18.139 ( 0.240 2.061 -2.049) 2.916 18.139 ( -0.240 2.061 2.049) 2.916 18.257 ( 1.220 -2.173 -1.525) 2.922 18.257 ( -1.220 -2.173 1.525) 2.922 27.907 ( -0.132 0.175 -0.308) 0.378 27.907 ( 0.132 0.175 0.308) 0.378 28.094 ( -0.380 -0.251 -1.086) 1.178 28.094 ( 0.380 -0.251 1.086) 1.178 29.276 ( 0.686 4.107 -2.130) 4.677 29.276 ( -0.686 4.107 2.130) 4.677 29.467 ( 0.063 -2.997 -2.936) 4.196 29.467 ( -0.063 -2.997 2.936) 4.196 30.753 ( -2.327 2.323 -2.434) 4.091 30.753 ( 2.327 2.323 2.434) 4.091 31.189 ( -3.923 -1.979 -1.307) 4.584 31.189 ( 3.923 -1.979 1.307) 4.584 31.950 ( -15.316 11.143 -4.927) 19.570 31.950 ( 15.316 11.143 4.927) 19.570 32.301 ( -15.442 -11.260 -4.305) 19.590 32.301 ( 15.442 -11.260 4.305) 19.590 ======================= Grid point 325 (164/168) ======================= q-point: ( 0.10 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 18.655 7.647 -1.668) 20.230 2.044 ( 20.288 0.932 1.861) 20.394 2.754 ( -1.525 6.393 -5.280) 8.431 2.887 ( -2.547 -6.816 -0.389) 7.287 3.087 ( 5.080 4.627 -3.160) 7.563 3.140 ( 6.605 0.039 -5.916) 8.867 3.160 ( -3.939 7.110 -0.517) 8.145 3.270 ( -0.277 -3.738 1.085) 3.902 3.815 ( 9.434 4.488 -3.408) 10.989 3.922 ( 6.098 -5.663 1.795) 8.513 4.154 ( 1.170 5.855 -5.383) 8.039 4.259 ( 3.284 -2.531 1.710) 4.485 4.598 ( -2.571 4.617 -2.703) 5.936 4.749 ( 3.860 -5.700 -2.908) 7.473 4.878 ( -3.958 3.771 0.431) 5.484 4.941 ( 0.114 -3.048 0.355) 3.071 5.842 ( -3.141 4.078 -4.520) 6.850 5.914 ( -4.907 -1.851 -3.612) 6.368 5.943 ( 2.813 3.210 -0.331) 4.281 6.039 ( 4.149 -4.295 -0.416) 5.986 6.318 ( 3.080 3.314 -8.963) 10.041 6.412 ( 5.130 -4.087 -5.247) 8.399 6.754 ( -1.059 5.877 6.504) 8.830 6.861 ( -1.293 -4.459 8.568) 9.745 6.916 ( -4.143 2.007 3.580) 5.832 6.966 ( -5.993 -3.826 3.594) 7.967 7.424 ( -6.585 5.663 -7.351) 11.378 7.510 ( -1.732 -1.845 -1.533) 2.958 7.744 ( 5.578 0.433 -3.804) 6.766 7.755 ( 5.356 0.020 1.050) 5.458 8.238 ( 2.075 3.762 -1.155) 4.449 8.293 ( 4.009 -1.181 1.754) 4.532 8.520 ( 1.136 2.230 0.968) 2.683 8.646 ( 5.774 -9.333 5.347) 12.208 9.062 ( 0.655 5.218 -1.017) 5.357 9.179 ( 4.551 -5.734 2.866) 7.862 11.386 ( -0.641 6.496 -6.217) 9.015 11.452 ( -1.504 1.639 0.872) 2.389 11.697 ( -0.283 -2.430 -2.436) 3.453 11.748 ( -1.983 -5.874 4.146) 7.458 14.109 ( -5.686 4.164 0.929) 7.109 14.134 ( -5.673 2.436 3.740) 7.219 14.421 ( -5.994 -1.194 2.108) 6.465 14.464 ( -2.490 -4.642 0.399) 5.283 15.480 ( 0.835 4.338 -0.005) 4.418 15.503 ( 2.312 3.962 -0.100) 4.588 15.587 ( 0.880 -1.964 -0.765) 2.284 15.650 ( -0.093 -5.064 5.639) 7.580 16.459 ( -7.615 0.961 -2.495) 8.071 16.493 ( -7.700 -2.197 -3.208) 8.626 16.747 ( 1.517 -0.071 3.709) 4.008 16.760 ( 0.985 -1.252 2.594) 3.044 18.132 ( 2.328 2.663 1.552) 3.862 18.193 ( 2.485 -2.865 1.444) 4.058 18.325 ( 11.315 2.906 -0.189) 11.683 18.389 ( 12.881 -3.032 -2.037) 13.389 27.910 ( -0.049 0.776 1.194) 1.425 27.926 ( 0.819 -0.675 1.273) 1.657 28.082 ( 0.025 1.380 -0.584) 1.498 28.117 ( 0.620 -1.974 1.346) 2.468 29.284 ( 1.684 4.290 0.068) 4.609 29.316 ( 1.315 2.967 3.559) 4.816 29.460 ( 0.340 -0.000 1.511) 1.548 29.527 ( 0.659 -4.449 6.551) 7.946 30.634 ( -8.556 4.533 -0.796) 9.715 30.720 ( -9.891 -3.386 3.555) 11.043 31.191 ( 6.103 7.471 -0.661) 9.670 31.321 ( 7.489 -3.792 -1.847) 8.595 31.585 ( -18.257 8.927 -5.192) 20.975 31.842 ( -21.209 -14.501 -6.500) 26.502 32.344 ( 19.207 14.216 0.446) 23.900 32.635 ( 21.139 -13.322 -2.952) 25.160 ======================= Grid point 326 (165/168) ======================= q-point: ( 0.20 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 21.619 10.125 -5.123) 24.416 2.428 ( 24.078 -3.074 -0.659) 24.282 2.711 ( 2.495 5.828 -3.409) 7.198 2.829 ( -1.554 -5.099 -3.737) 6.510 3.051 ( 6.207 2.604 -10.720) 12.658 3.077 ( 2.412 2.682 -3.104) 4.758 3.303 ( 3.050 3.766 10.964) 11.987 3.368 ( 9.209 -5.002 0.487) 10.491 3.871 ( 2.008 1.166 -4.023) 4.645 3.939 ( -1.194 -4.572 -3.700) 6.001 4.174 ( 10.337 9.496 -7.218) 15.784 4.352 ( 8.295 -5.937 -2.832) 10.586 4.617 ( 5.061 8.687 2.104) 10.272 4.765 ( 4.123 0.292 -5.550) 6.920 4.823 ( -5.386 2.896 4.597) 7.650 4.969 ( 3.972 -9.986 0.957) 10.789 5.706 ( -4.410 5.010 -5.533) 8.670 5.777 ( -5.098 -1.020 -3.750) 6.410 5.982 ( 3.231 5.723 -2.127) 6.908 6.135 ( 7.475 -7.145 -1.425) 10.438 6.269 ( 3.243 6.080 -7.291) 10.032 6.419 ( 5.678 -5.097 -8.179) 11.186 6.705 ( -8.876 5.726 3.413) 11.100 6.807 ( -7.636 -5.872 4.691) 10.714 6.980 ( 2.568 5.453 7.810) 9.865 7.121 ( 4.284 -6.572 10.238) 12.898 7.321 ( 1.867 8.681 -3.911) 9.703 7.502 ( 2.131 -7.229 -0.918) 7.592 7.727 ( 2.354 3.507 -7.005) 8.180 7.820 ( 2.173 -4.144 -2.133) 5.142 8.217 ( -2.462 5.873 -1.259) 6.492 8.318 ( -1.418 -3.670 -1.282) 4.138 8.583 ( 2.667 6.862 2.841) 7.891 8.781 ( 5.344 -11.487 1.292) 12.734 9.089 ( 1.707 8.747 1.624) 9.059 9.286 ( 4.764 -9.397 1.722) 10.676 11.279 ( -2.884 7.103 -7.123) 10.464 11.401 ( -2.993 -3.338 -3.991) 6.002 11.683 ( -0.162 1.424 1.174) 1.853 11.767 ( -1.697 -5.612 4.340) 7.295 14.010 ( -8.493 5.121 2.281) 10.176 14.071 ( -8.654 0.137 5.616) 10.317 14.331 ( -8.480 0.591 2.337) 8.816 14.397 ( -6.594 -4.820 0.539) 8.185 15.499 ( 2.111 3.717 -0.644) 4.323 15.542 ( 2.876 2.269 -0.625) 3.716 15.632 ( 2.358 0.927 4.248) 4.946 15.731 ( 1.724 -5.439 5.826) 8.154 16.311 ( -7.335 0.253 -2.151) 7.648 16.329 ( -7.367 -1.406 -3.146) 8.133 16.774 ( -2.210 0.627 2.652) 3.509 16.797 ( -0.876 -1.545 2.854) 3.361 18.238 ( 7.536 1.799 2.254) 8.069 18.288 ( 6.986 -2.755 1.602) 7.678 18.531 ( 13.389 2.806 0.193) 13.682 18.587 ( 13.738 -2.484 -1.389) 14.030 27.929 ( 0.137 1.028 1.953) 2.211 27.956 ( 0.511 -1.296 1.860) 2.324 28.082 ( 0.595 2.295 -0.206) 2.380 28.141 ( 0.626 -3.296 0.975) 3.493 29.324 ( 2.394 4.268 1.048) 5.005 29.385 ( 1.960 -0.350 3.095) 3.680 29.517 ( 0.539 4.935 7.163) 8.716 29.633 ( 0.409 -4.677 9.926) 10.981 30.491 ( -8.787 5.034 0.011) 10.127 30.590 ( -10.663 -4.581 4.188) 12.337 31.134 ( -13.958 11.120 -10.342) 20.626 31.310 ( 6.585 8.327 0.266) 10.620 31.332 ( -17.657 -5.772 -7.381) 19.989 31.581 ( 5.615 -13.936 -6.590) 16.406 32.643 ( 17.122 11.139 0.716) 20.439 32.893 ( 17.399 -11.984 -5.100) 21.733 ======================= Grid point 327 (166/168) ======================= q-point: ( 0.30 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 14.098 12.202 -4.415) 19.161 2.661 ( 11.642 1.330 -9.356) 14.994 2.756 ( 0.307 -0.388 -4.238) 4.266 2.797 ( 11.021 -6.027 -2.134) 12.741 3.079 ( 2.590 2.194 0.835) 3.495 3.141 ( 4.590 0.187 1.261) 4.764 3.468 ( 4.643 1.343 5.584) 7.385 3.524 ( 7.708 -3.496 -0.508) 8.479 3.877 ( 4.092 0.016 1.322) 4.300 3.888 ( 2.415 -1.367 -1.908) 3.368 4.240 ( 7.450 9.788 -7.808) 14.569 4.427 ( 7.187 -6.328 -5.792) 11.191 4.718 ( 2.034 4.861 3.923) 6.569 4.801 ( 7.744 -0.671 -3.264) 8.430 4.858 ( 2.623 8.127 6.178) 10.541 5.085 ( 7.930 -10.916 0.527) 13.502 5.627 ( 0.069 5.762 -1.658) 5.996 5.705 ( -1.277 -0.353 0.355) 1.372 5.992 ( 2.626 5.640 -4.053) 7.425 6.144 ( -1.356 -6.514 -4.632) 8.108 6.311 ( 9.862 3.294 -5.455) 11.742 6.407 ( 5.671 -2.165 -8.874) 10.751 6.641 ( -4.223 7.749 5.463) 10.379 6.813 ( -1.160 -9.584 7.834) 12.433 7.069 ( -2.147 7.626 5.326) 9.546 7.232 ( 0.038 -5.771 4.060) 7.056 7.353 ( 4.976 7.535 -3.220) 9.586 7.527 ( 0.126 -4.487 0.089) 4.489 7.695 ( 4.653 -0.525 -7.209) 8.596 7.785 ( -0.450 -6.729 -5.064) 8.434 8.137 ( -6.063 5.144 -0.897) 8.002 8.232 ( -6.125 -3.948 -2.742) 7.786 8.653 ( 2.182 8.784 3.809) 9.820 8.861 ( 4.434 -9.833 0.969) 10.830 9.117 ( -0.611 9.505 0.151) 9.526 9.343 ( 1.671 -10.494 -1.570) 10.742 11.149 ( -3.342 5.975 -5.818) 8.984 11.278 ( -4.575 -5.750 -5.962) 9.462 11.716 ( 0.974 2.800 2.843) 4.107 11.792 ( -1.326 -4.173 3.915) 5.874 13.918 ( -6.236 5.541 3.071) 8.890 14.005 ( -7.738 -1.845 6.186) 10.076 14.212 ( -9.017 1.253 1.182) 9.180 14.278 ( -8.179 -4.286 -0.268) 9.238 15.536 ( 2.804 4.154 0.372) 5.025 15.583 ( 3.205 1.522 -0.642) 3.605 15.737 ( 2.994 1.465 5.331) 6.287 15.823 ( 1.969 -4.753 4.327) 6.722 16.188 ( -4.868 0.461 -1.862) 5.232 16.207 ( -4.721 -1.362 -1.401) 5.109 16.755 ( -3.349 1.288 2.108) 4.162 16.791 ( -2.350 -2.081 0.803) 3.240 18.397 ( 8.004 0.867 2.994) 8.589 18.431 ( 8.142 -2.179 1.499) 8.560 18.723 ( 10.022 2.268 0.192) 10.278 18.767 ( 10.018 -1.965 -0.684) 10.231 27.954 ( -0.007 1.039 2.009) 2.262 27.979 ( -0.120 -0.843 1.441) 1.674 28.095 ( 1.066 1.617 0.221) 1.949 28.156 ( 0.382 -3.808 0.086) 3.828 29.376 ( 2.395 4.013 1.248) 4.837 29.440 ( 1.309 -1.819 1.928) 2.956 29.625 ( -0.241 7.400 9.903) 12.365 29.754 ( -1.169 -4.317 11.256) 12.112 30.356 ( -7.735 7.511 -0.613) 10.800 30.495 ( -8.213 -5.643 4.731) 11.031 30.836 ( -7.153 6.039 -9.762) 13.525 30.965 ( -11.476 -6.064 -11.335) 17.232 31.406 ( 4.596 9.506 0.314) 10.564 31.615 ( 5.072 -9.346 -6.162) 12.290 32.893 ( 12.406 6.171 1.875) 13.982 33.068 ( 12.440 -9.562 -5.486) 16.622 ======================= Grid point 328 (167/168) ======================= q-point: ( 0.40 0.43 -0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 4.913 7.792 -2.403) 9.520 2.696 ( -1.159 -0.126 -2.186) 2.477 2.774 ( 14.014 6.942 -7.162) 17.201 2.917 ( 3.664 -1.021 -0.352) 3.820 3.122 ( -0.020 -3.911 3.609) 5.322 3.192 ( 0.482 -4.666 0.184) 4.695 3.519 ( -0.094 0.150 -0.913) 0.930 3.549 ( -0.194 -1.648 -2.888) 3.331 3.997 ( 6.003 4.848 7.176) 10.537 4.081 ( 11.069 -3.625 6.174) 13.182 4.238 ( 3.927 10.074 -6.504) 12.618 4.437 ( 2.584 -7.498 -6.677) 10.367 4.820 ( 3.047 6.094 6.583) 9.474 4.919 ( 8.766 -1.620 -1.220) 8.997 4.969 ( 2.759 7.417 3.969) 8.853 5.168 ( 3.472 -8.401 -4.021) 9.940 5.663 ( 3.597 6.242 1.832) 7.434 5.727 ( 0.351 2.430 3.111) 3.964 5.978 ( 2.594 0.175 -4.898) 5.545 6.055 ( -2.030 -5.310 -4.877) 7.490 6.385 ( 6.353 0.436 -4.235) 7.647 6.412 ( 5.573 -0.356 -5.824) 8.069 6.707 ( 1.850 9.321 8.315) 12.627 6.923 ( 1.911 -11.228 9.453) 14.802 7.027 ( -8.160 8.631 1.861) 12.023 7.216 ( -4.478 -8.474 -1.048) 9.642 7.389 ( 5.594 7.989 -4.663) 10.810 7.492 ( -5.164 -0.351 1.393) 5.360 7.678 ( 2.430 -1.490 -4.948) 5.710 7.739 ( 5.486 -8.493 -9.249) 13.703 8.021 ( -6.883 2.076 0.188) 7.192 8.082 ( -7.551 -3.607 -2.839) 8.837 8.763 ( 3.991 9.757 6.868) 12.582 8.974 ( 4.833 -9.527 5.957) 12.232 9.059 ( -3.438 11.405 -4.183) 12.625 9.292 ( -2.552 -9.685 -5.957) 11.653 11.063 ( -1.171 2.868 -2.355) 3.891 11.145 ( -3.973 -4.677 -4.502) 7.611 11.765 ( 1.463 1.769 2.005) 3.048 11.809 ( -1.319 -2.271 2.360) 3.531 13.895 ( -1.175 4.861 3.223) 5.950 13.979 ( -3.796 -1.796 5.020) 6.545 14.084 ( -7.217 0.710 -0.149) 7.254 14.146 ( -6.357 -3.976 -2.043) 7.772 15.590 ( 2.411 4.345 1.198) 5.112 15.621 ( 2.295 2.395 -0.820) 3.417 15.831 ( 1.960 0.430 3.812) 4.308 15.879 ( 0.728 -3.013 1.548) 3.465 16.123 ( -1.652 0.282 -0.453) 1.736 16.142 ( -2.362 -1.417 -0.466) 2.793 16.727 ( -2.659 0.729 1.741) 3.260 16.753 ( -1.923 -1.677 -1.011) 2.744 18.538 ( 4.850 0.138 2.942) 5.675 18.557 ( 5.614 -1.593 0.511) 5.858 18.845 ( 5.182 1.585 0.098) 5.420 18.875 ( 4.348 -1.256 -0.634) 4.570 27.973 ( -0.163 1.004 1.485) 1.800 27.986 ( -0.221 0.261 0.397) 0.524 28.118 ( 0.949 -0.302 0.745) 1.244 28.154 ( -0.031 -3.388 -0.723) 3.464 29.426 ( 2.226 3.273 0.835) 4.046 29.469 ( -0.091 -0.702 1.188) 1.383 29.718 ( -0.261 6.482 7.142) 9.648 29.824 ( -3.970 -2.945 6.782) 8.392 30.260 ( -2.891 7.856 0.532) 8.388 30.404 ( -6.897 -4.825 -0.707) 8.447 30.705 ( -0.791 1.574 -2.892) 3.386 30.756 ( -1.652 -3.411 -7.064) 8.017 31.467 ( 2.237 6.362 1.608) 6.933 31.589 ( 1.250 -4.662 -6.388) 8.007 33.071 ( 6.379 1.344 3.017) 7.183 33.159 ( 6.528 -6.427 -4.871) 10.376 ======================= Grid point 329 (168/168) ======================= q-point: (-0.50 0.43 0.50) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 2.798 3.795 -4.605) 6.591 2.651 ( -2.798 3.795 4.605) 6.591 2.897 ( 1.180 5.893 -1.701) 6.247 2.897 ( -1.180 5.893 1.701) 6.247 3.169 ( -0.174 -8.129 -3.142) 8.717 3.169 ( 0.174 -8.129 3.142) 8.717 3.515 ( 0.998 -0.449 -2.221) 2.476 3.515 ( -0.998 -0.449 2.221) 2.476 4.145 ( -1.351 7.179 -6.450) 9.745 4.145 ( 1.351 7.179 6.450) 9.745 4.339 ( -5.168 -4.806 -6.903) 9.872 4.339 ( 5.168 -4.806 6.903) 9.872 4.931 ( 2.227 7.826 -8.986) 12.122 4.931 ( -2.227 7.826 8.986) 12.122 5.098 ( -0.345 -5.596 -9.723) 11.223 5.098 ( 0.345 -5.596 9.723) 11.223 5.737 ( -0.054 6.629 -1.985) 6.920 5.737 ( 0.054 6.629 1.985) 6.920 5.986 ( -2.055 -5.775 -0.549) 6.154 5.986 ( 2.055 -5.775 0.549) 6.154 6.421 ( 0.624 0.225 -1.583) 1.716 6.421 ( -0.624 0.225 1.583) 1.716 6.867 ( -7.163 9.414 -5.913) 13.225 6.867 ( 7.163 9.414 5.913) 13.225 7.084 ( -4.192 -10.747 -8.477) 14.315 7.084 ( 4.192 -10.747 8.477) 14.315 7.426 ( 3.727 3.833 -2.415) 5.867 7.426 ( -3.727 3.833 2.415) 5.867 7.705 ( -0.351 -3.726 -3.875) 5.387 7.705 ( 0.351 -3.726 3.875) 5.387 7.977 ( -0.748 -2.063 -1.667) 2.756 7.977 ( 0.748 -2.063 1.667) 2.756 8.919 ( -4.074 9.953 -7.614) 13.177 8.919 ( 4.074 9.953 7.614) 13.177 9.144 ( -4.904 -8.059 -8.216) 12.510 9.144 ( 4.904 -8.059 8.216) 12.510 11.063 ( -1.359 -1.284 -1.736) 2.551 11.063 ( 1.359 -1.284 1.736) 2.551 11.801 ( -1.319 -0.179 -0.029) 1.331 11.801 ( 1.319 -0.179 0.029) 1.331 13.947 ( 1.560 3.662 -5.754) 6.997 13.947 ( -1.560 3.662 5.754) 6.997 14.047 ( 2.764 -3.983 -7.154) 8.642 14.047 ( -2.764 -3.983 7.154) 8.642 15.627 ( 0.434 3.619 -1.783) 4.058 15.627 ( -0.434 3.619 1.783) 4.058 15.881 ( -0.103 -0.969 -1.726) 1.982 15.881 ( 0.103 -0.969 1.726) 1.982 16.116 ( -0.556 -0.768 -0.209) 0.971 16.116 ( 0.556 -0.768 0.209) 0.971 16.722 ( 0.410 -0.557 -1.784) 1.913 16.722 ( -0.410 -0.557 1.784) 1.913 18.602 ( 0.538 -0.716 -1.628) 1.857 18.602 ( -0.538 -0.716 1.628) 1.857 18.895 ( 0.046 0.169 -1.116) 1.130 18.895 ( -0.046 0.169 1.116) 1.130 27.983 ( 0.231 0.872 -0.802) 1.207 27.983 ( -0.231 0.872 0.802) 1.207 28.140 ( -0.213 -2.152 -1.228) 2.487 28.140 ( 0.213 -2.152 1.228) 2.487 29.462 ( -1.523 1.584 0.051) 2.198 29.462 ( 1.523 1.584 -0.051) 2.198 29.790 ( -2.250 2.350 -2.117) 3.881 29.790 ( 2.250 2.350 2.117) 3.881 30.291 ( -2.289 1.081 -4.385) 5.063 30.291 ( 2.289 1.081 4.385) 5.063 30.702 ( 1.629 -1.236 -4.038) 4.526 30.702 ( -1.629 -1.236 4.038) 4.526 31.526 ( -0.870 0.953 -4.458) 4.641 31.526 ( 0.870 0.953 4.458) 4.641 33.161 ( 1.077 -2.795 -4.843) 5.694 33.161 ( -1.077 -2.795 4.843) 5.694 =================== 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 3/40320 10.0 1093.902 642.350 1168.684 0.000 1.869 0.000 3/40320 20.0 323.009 212.008 242.606 0.000 -38.738 0.000 3/40320 30.0 125.540 86.770 82.632 0.000 -14.979 0.000 3/40320 40.0 67.822 46.253 42.386 0.000 -8.442 0.000 3/40320 50.0 43.459 29.193 26.534 0.000 -5.478 0.000 3/40320 60.0 30.912 20.577 18.665 0.000 -3.882 0.000 3/40320 70.0 23.589 15.637 14.175 0.000 -2.934 0.000 3/40320 80.0 18.921 12.528 11.356 0.000 -2.329 0.000 3/40320 90.0 15.744 10.429 9.455 0.000 -1.919 0.000 3/40320 100.0 13.466 8.931 8.101 0.000 -1.626 0.000 3/40320 110.0 11.765 7.815 7.093 0.000 -1.410 0.000 3/40320 120.0 10.452 6.953 6.316 0.000 -1.244 0.000 3/40320 130.0 9.411 6.269 5.699 0.000 -1.114 0.000 3/40320 140.0 8.567 5.713 5.199 0.000 -1.009 0.000 3/40320 150.0 7.870 5.253 4.785 0.000 -0.922 0.000 3/40320 160.0 7.285 4.866 4.437 0.000 -0.850 0.000 3/40320 170.0 6.788 4.535 4.141 0.000 -0.789 0.000 3/40320 180.0 6.360 4.250 3.885 0.000 -0.736 0.000 3/40320 190.0 5.988 4.002 3.663 0.000 -0.691 0.000 3/40320 200.0 5.663 3.784 3.468 0.000 -0.650 0.000 3/40320 210.0 5.375 3.590 3.296 0.000 -0.615 0.000 3/40320 220.0 5.119 3.418 3.142 0.000 -0.583 0.000 3/40320 230.0 4.890 3.263 3.004 0.000 -0.554 0.000 3/40320 240.0 4.683 3.124 2.880 0.000 -0.528 0.000 3/40320 250.0 4.496 2.997 2.767 0.000 -0.505 0.000 3/40320 260.0 4.326 2.882 2.665 0.000 -0.483 0.000 3/40320 270.0 4.170 2.777 2.571 0.000 -0.464 0.000 3/40320 280.0 4.027 2.680 2.485 0.000 -0.445 0.000 3/40320 290.0 3.896 2.591 2.406 0.000 -0.428 0.000 3/40320 300.0 3.774 2.508 2.332 0.000 -0.413 0.000 3/40320 310.0 3.661 2.431 2.264 0.000 -0.398 0.000 3/40320 320.0 3.555 2.360 2.200 0.000 -0.385 0.000 3/40320 330.0 3.457 2.293 2.141 0.000 -0.372 0.000 3/40320 340.0 3.364 2.230 2.085 0.000 -0.360 0.000 3/40320 350.0 3.278 2.172 2.032 0.000 -0.349 0.000 3/40320 360.0 3.196 2.116 1.983 0.000 -0.338 0.000 3/40320 370.0 3.119 2.064 1.936 0.000 -0.328 0.000 3/40320 380.0 3.046 2.015 1.892 0.000 -0.319 0.000 3/40320 390.0 2.977 1.968 1.850 0.000 -0.310 0.000 3/40320 400.0 2.911 1.923 1.810 0.000 -0.302 0.000 3/40320 410.0 2.848 1.881 1.771 0.000 -0.294 0.000 3/40320 420.0 2.789 1.841 1.735 0.000 -0.286 0.000 3/40320 430.0 2.732 1.802 1.700 0.000 -0.279 0.000 3/40320 440.0 2.677 1.766 1.667 0.000 -0.272 0.000 3/40320 450.0 2.625 1.730 1.635 0.000 -0.265 0.000 3/40320 460.0 2.575 1.697 1.605 0.000 -0.259 0.000 3/40320 470.0 2.527 1.664 1.575 0.000 -0.253 0.000 3/40320 480.0 2.481 1.633 1.547 0.000 -0.248 0.000 3/40320 490.0 2.436 1.604 1.520 0.000 -0.242 0.000 3/40320 500.0 2.394 1.575 1.494 0.000 -0.237 0.000 3/40320 510.0 2.353 1.547 1.468 0.000 -0.232 0.000 3/40320 520.0 2.313 1.521 1.444 0.000 -0.227 0.000 3/40320 530.0 2.274 1.495 1.420 0.000 -0.223 0.000 3/40320 540.0 2.237 1.470 1.397 0.000 -0.218 0.000 3/40320 550.0 2.201 1.446 1.375 0.000 -0.214 0.000 3/40320 560.0 2.167 1.423 1.354 0.000 -0.210 0.000 3/40320 570.0 2.133 1.400 1.333 0.000 -0.206 0.000 3/40320 580.0 2.101 1.379 1.313 0.000 -0.202 0.000 3/40320 590.0 2.069 1.358 1.294 0.000 -0.198 0.000 3/40320 600.0 2.038 1.337 1.275 0.000 -0.195 0.000 3/40320 610.0 2.009 1.317 1.256 0.000 -0.192 0.000 3/40320 620.0 1.980 1.298 1.239 0.000 -0.188 0.000 3/40320 630.0 1.952 1.279 1.221 0.000 -0.185 0.000 3/40320 640.0 1.924 1.261 1.204 0.000 -0.182 0.000 3/40320 650.0 1.898 1.244 1.188 0.000 -0.179 0.000 3/40320 660.0 1.872 1.227 1.172 0.000 -0.176 0.000 3/40320 670.0 1.847 1.210 1.156 0.000 -0.173 0.000 3/40320 680.0 1.823 1.194 1.141 0.000 -0.171 0.000 3/40320 690.0 1.799 1.178 1.126 0.000 -0.168 0.000 3/40320 700.0 1.776 1.162 1.112 0.000 -0.166 0.000 3/40320 710.0 1.753 1.147 1.098 0.000 -0.163 0.000 3/40320 720.0 1.731 1.133 1.084 0.000 -0.161 0.000 3/40320 730.0 1.709 1.119 1.071 0.000 -0.158 0.000 3/40320 740.0 1.688 1.105 1.058 0.000 -0.156 0.000 3/40320 750.0 1.668 1.091 1.045 0.000 -0.154 0.000 3/40320 760.0 1.648 1.078 1.033 0.000 -0.152 0.000 3/40320 770.0 1.628 1.065 1.021 0.000 -0.150 0.000 3/40320 780.0 1.609 1.052 1.009 0.000 -0.148 0.000 3/40320 790.0 1.591 1.040 0.997 0.000 -0.146 0.000 3/40320 800.0 1.572 1.028 0.986 0.000 -0.144 0.000 3/40320 810.0 1.555 1.016 0.975 0.000 -0.142 0.000 3/40320 820.0 1.537 1.005 0.964 0.000 -0.140 0.000 3/40320 830.0 1.520 0.993 0.953 0.000 -0.138 0.000 3/40320 840.0 1.503 0.982 0.943 0.000 -0.137 0.000 3/40320 850.0 1.487 0.972 0.933 0.000 -0.135 0.000 3/40320 860.0 1.471 0.961 0.923 0.000 -0.133 0.000 3/40320 870.0 1.455 0.951 0.913 0.000 -0.132 0.000 3/40320 880.0 1.440 0.941 0.903 0.000 -0.130 0.000 3/40320 890.0 1.425 0.931 0.894 0.000 -0.129 0.000 3/40320 900.0 1.410 0.921 0.885 0.000 -0.127 0.000 3/40320 910.0 1.396 0.911 0.876 0.000 -0.126 0.000 3/40320 920.0 1.382 0.902 0.867 0.000 -0.124 0.000 3/40320 930.0 1.368 0.893 0.858 0.000 -0.123 0.000 3/40320 940.0 1.354 0.884 0.850 0.000 -0.122 0.000 3/40320 950.0 1.341 0.875 0.842 0.000 -0.120 0.000 3/40320 960.0 1.328 0.867 0.833 0.000 -0.119 0.000 3/40320 970.0 1.315 0.858 0.825 0.000 -0.118 0.000 3/40320 980.0 1.303 0.850 0.817 0.000 -0.116 0.000 3/40320 990.0 1.290 0.842 0.810 0.000 -0.115 0.000 3/40320 1000.0 1.278 0.834 0.802 0.000 -0.114 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m1078.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|