----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.728440330180540 0.000000000000000 0.000000000000000 b 0.000000000000000 7.140332329999999 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): *1 O 0.61284538012042 0.29250099862646 0.39099455966374 15.999 2 O 0.38715461987958 0.79250099862646 0.10900544033626 15.999 3 O 0.38715461987958 0.70749900137354 0.60900544033626 15.999 4 O 0.61284538012042 0.20749900137354 0.89099455966374 15.999 *5 O 0.36045064501940 0.39567826777246 0.02393321868220 15.999 6 O 0.63954935498060 0.89567826777246 0.47606678131780 15.999 7 O 0.63954935498060 0.60432173222754 0.97606678131780 15.999 8 O 0.36045064501940 0.10432173222754 0.52393321868220 15.999 *9 O 0.16217030096053 0.99825327763945 0.73674277606306 15.999 10 O 0.83782969903947 0.49825327763945 0.76325722393694 15.999 11 O 0.83782969903947 0.00174672236055 0.26325722393694 15.999 12 O 0.16217030096053 0.50174672236055 0.23674277606306 15.999 *13 O 0.12571845077542 0.35470227065567 0.60857417569906 15.999 14 O 0.87428154922459 0.85470227065567 0.89142582430094 15.999 15 O 0.87428154922459 0.64529772934433 0.39142582430094 15.999 16 O 0.12571845077542 0.14529772934433 0.10857417569906 15.999 *17 As 0.31147704869231 0.33783557973074 0.19998830628389 74.922 18 As 0.68852295130769 0.83783557973074 0.30001169371611 74.922 19 As 0.68852295130769 0.66216442026926 0.80001169371611 74.922 20 As 0.31147704869231 0.16216442026926 0.69998830628389 74.922 *21 Bi 0.80285262826022 0.36170515231038 0.21959717621911 208.980 22 Bi 0.19714737173978 0.86170515231038 0.28040282378089 208.980 23 Bi 0.19714737173978 0.63829484768962 0.78040282378089 208.980 24 Bi 0.80285262826022 0.13829484768962 0.71959717621911 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.728440330180540 0.000000000000000 0.000000000000000 b 0.000000000000000 7.140332329999999 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): *1 O 0.61284538012042 0.29250099862646 0.39099455966374 15.999 > 1 2 O 0.38715461987958 0.79250099862646 0.10900544033626 15.999 > 2 3 O 0.38715461987958 0.70749900137354 0.60900544033626 15.999 > 3 4 O 0.61284538012042 0.20749900137354 0.89099455966374 15.999 > 4 *5 O 0.36045064501940 0.39567826777246 0.02393321868220 15.999 > 5 6 O 0.63954935498060 0.89567826777246 0.47606678131780 15.999 > 6 7 O 0.63954935498060 0.60432173222754 0.97606678131780 15.999 > 7 8 O 0.36045064501940 0.10432173222754 0.52393321868220 15.999 > 8 *9 O 0.16217030096053 0.99825327763945 0.73674277606306 15.999 > 9 10 O 0.83782969903947 0.49825327763945 0.76325722393694 15.999 > 10 11 O 0.83782969903947 0.00174672236055 0.26325722393694 15.999 > 11 12 O 0.16217030096053 0.50174672236055 0.23674277606306 15.999 > 12 *13 O 0.12571845077542 0.35470227065567 0.60857417569906 15.999 > 13 14 O 0.87428154922459 0.85470227065567 0.89142582430094 15.999 > 14 15 O 0.87428154922459 0.64529772934433 0.39142582430094 15.999 > 15 16 O 0.12571845077542 0.14529772934433 0.10857417569906 15.999 > 16 *17 As 0.31147704869231 0.33783557973074 0.19998830628389 74.922 > 17 18 As 0.68852295130769 0.83783557973074 0.30001169371611 74.922 > 18 19 As 0.68852295130769 0.66216442026926 0.80001169371611 74.922 > 19 20 As 0.31147704869231 0.16216442026926 0.69998830628389 74.922 > 20 *21 Bi 0.80285262826022 0.36170515231038 0.21959717621911 208.980 > 21 22 Bi 0.19714737173978 0.86170515231038 0.28040282378089 208.980 > 22 23 Bi 0.19714737173978 0.63829484768962 0.78040282378089 208.980 > 23 24 Bi 0.80285262826022 0.13829484768962 0.71959717621911 208.980 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.456880660361080 0.000000000000000 0.000000000000000 b 0.000000000000000 14.280664659999998 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): *1 O 0.30642269006021 0.14625049931323 0.39099455966374 15.999 > 1 2 O 0.80642269006021 0.14625049931323 0.39099455966374 15.999 > 1 3 O 0.30642269006021 0.64625049931323 0.39099455966374 15.999 > 1 4 O 0.80642269006021 0.64625049931323 0.39099455966374 15.999 > 1 5 O 0.19357730993979 0.39625049931323 0.10900544033626 15.999 > 2 6 O 0.69357730993979 0.39625049931323 0.10900544033626 15.999 > 2 7 O 0.19357730993979 0.89625049931323 0.10900544033626 15.999 > 2 8 O 0.69357730993979 0.89625049931323 0.10900544033626 15.999 > 2 9 O 0.19357730993979 0.35374950068677 0.60900544033626 15.999 > 3 10 O 0.69357730993979 0.35374950068677 0.60900544033626 15.999 > 3 11 O 0.19357730993979 0.85374950068677 0.60900544033626 15.999 > 3 12 O 0.69357730993979 0.85374950068677 0.60900544033626 15.999 > 3 13 O 0.30642269006021 0.10374950068677 0.89099455966374 15.999 > 4 14 O 0.80642269006021 0.10374950068677 0.89099455966374 15.999 > 4 15 O 0.30642269006021 0.60374950068677 0.89099455966374 15.999 > 4 16 O 0.80642269006021 0.60374950068677 0.89099455966374 15.999 > 4 *17 O 0.18022532250970 0.19783913388623 0.02393321868220 15.999 > 5 18 O 0.68022532250970 0.19783913388623 0.02393321868220 15.999 > 5 19 O 0.18022532250970 0.69783913388623 0.02393321868220 15.999 > 5 20 O 0.68022532250970 0.69783913388623 0.02393321868220 15.999 > 5 21 O 0.31977467749030 0.44783913388623 0.47606678131780 15.999 > 6 22 O 0.81977467749030 0.44783913388623 0.47606678131780 15.999 > 6 23 O 0.31977467749030 0.94783913388623 0.47606678131780 15.999 > 6 24 O 0.81977467749030 0.94783913388623 0.47606678131780 15.999 > 6 25 O 0.31977467749030 0.30216086611377 0.97606678131780 15.999 > 7 26 O 0.81977467749030 0.30216086611377 0.97606678131780 15.999 > 7 27 O 0.31977467749030 0.80216086611377 0.97606678131780 15.999 > 7 28 O 0.81977467749030 0.80216086611377 0.97606678131780 15.999 > 7 29 O 0.18022532250970 0.05216086611377 0.52393321868220 15.999 > 8 30 O 0.68022532250970 0.05216086611377 0.52393321868220 15.999 > 8 31 O 0.18022532250970 0.55216086611377 0.52393321868220 15.999 > 8 32 O 0.68022532250970 0.55216086611377 0.52393321868220 15.999 > 8 *33 O 0.08108515048027 0.49912663881972 0.73674277606306 15.999 > 9 34 O 0.58108515048026 0.49912663881972 0.73674277606306 15.999 > 9 35 O 0.08108515048027 0.99912663881972 0.73674277606306 15.999 > 9 36 O 0.58108515048026 0.99912663881972 0.73674277606306 15.999 > 9 37 O 0.41891484951974 0.24912663881972 0.76325722393694 15.999 > 10 38 O 0.91891484951974 0.24912663881972 0.76325722393694 15.999 > 10 39 O 0.41891484951974 0.74912663881972 0.76325722393694 15.999 > 10 40 O 0.91891484951974 0.74912663881972 0.76325722393694 15.999 > 10 41 O 0.41891484951974 0.00087336118028 0.26325722393694 15.999 > 11 42 O 0.91891484951974 0.00087336118028 0.26325722393694 15.999 > 11 43 O 0.41891484951974 0.50087336118028 0.26325722393694 15.999 > 11 44 O 0.91891484951974 0.50087336118028 0.26325722393694 15.999 > 11 45 O 0.08108515048027 0.25087336118028 0.23674277606306 15.999 > 12 46 O 0.58108515048026 0.25087336118028 0.23674277606306 15.999 > 12 47 O 0.08108515048027 0.75087336118028 0.23674277606306 15.999 > 12 48 O 0.58108515048026 0.75087336118028 0.23674277606306 15.999 > 12 *49 O 0.06285922538771 0.17735113532784 0.60857417569906 15.999 > 13 50 O 0.56285922538771 0.17735113532784 0.60857417569906 15.999 > 13 51 O 0.06285922538771 0.67735113532783 0.60857417569906 15.999 > 13 52 O 0.56285922538771 0.67735113532783 0.60857417569906 15.999 > 13 53 O 0.43714077461229 0.42735113532783 0.89142582430094 15.999 > 14 54 O 0.93714077461229 0.42735113532783 0.89142582430094 15.999 > 14 55 O 0.43714077461229 0.92735113532783 0.89142582430094 15.999 > 14 56 O 0.93714077461229 0.92735113532783 0.89142582430094 15.999 > 14 57 O 0.43714077461229 0.32264886467217 0.39142582430094 15.999 > 15 58 O 0.93714077461229 0.32264886467217 0.39142582430094 15.999 > 15 59 O 0.43714077461229 0.82264886467217 0.39142582430094 15.999 > 15 60 O 0.93714077461229 0.82264886467217 0.39142582430094 15.999 > 15 61 O 0.06285922538771 0.07264886467216 0.10857417569906 15.999 > 16 62 O 0.56285922538771 0.07264886467216 0.10857417569906 15.999 > 16 63 O 0.06285922538771 0.57264886467217 0.10857417569906 15.999 > 16 64 O 0.56285922538771 0.57264886467217 0.10857417569906 15.999 > 16 *65 As 0.15573852434616 0.16891778986537 0.19998830628389 74.922 > 17 66 As 0.65573852434616 0.16891778986537 0.19998830628389 74.922 > 17 67 As 0.15573852434616 0.66891778986537 0.19998830628389 74.922 > 17 68 As 0.65573852434616 0.66891778986537 0.19998830628389 74.922 > 17 69 As 0.34426147565384 0.41891778986537 0.30001169371611 74.922 > 18 70 As 0.84426147565384 0.41891778986537 0.30001169371611 74.922 > 18 71 As 0.34426147565384 0.91891778986537 0.30001169371611 74.922 > 18 72 As 0.84426147565384 0.91891778986537 0.30001169371611 74.922 > 18 73 As 0.34426147565384 0.33108221013463 0.80001169371611 74.922 > 19 74 As 0.84426147565384 0.33108221013463 0.80001169371611 74.922 > 19 75 As 0.34426147565384 0.83108221013463 0.80001169371611 74.922 > 19 76 As 0.84426147565384 0.83108221013463 0.80001169371611 74.922 > 19 77 As 0.15573852434616 0.08108221013463 0.69998830628389 74.922 > 20 78 As 0.65573852434616 0.08108221013463 0.69998830628389 74.922 > 20 79 As 0.15573852434616 0.58108221013463 0.69998830628389 74.922 > 20 80 As 0.65573852434616 0.58108221013463 0.69998830628389 74.922 > 20 *81 Bi 0.40142631413011 0.18085257615519 0.21959717621911 208.980 > 21 82 Bi 0.90142631413011 0.18085257615519 0.21959717621911 208.980 > 21 83 Bi 0.40142631413011 0.68085257615519 0.21959717621911 208.980 > 21 84 Bi 0.90142631413011 0.68085257615519 0.21959717621911 208.980 > 21 85 Bi 0.09857368586989 0.43085257615519 0.28040282378089 208.980 > 22 86 Bi 0.59857368586989 0.43085257615519 0.28040282378089 208.980 > 22 87 Bi 0.09857368586989 0.93085257615519 0.28040282378089 208.980 > 22 88 Bi 0.59857368586989 0.93085257615519 0.28040282378089 208.980 > 22 89 Bi 0.09857368586989 0.31914742384481 0.78040282378089 208.980 > 23 90 Bi 0.59857368586989 0.31914742384481 0.78040282378089 208.980 > 23 91 Bi 0.09857368586989 0.81914742384481 0.78040282378089 208.980 > 23 92 Bi 0.59857368586989 0.81914742384481 0.78040282378089 208.980 > 23 93 Bi 0.40142631413011 0.06914742384481 0.71959717621911 208.980 > 24 94 Bi 0.90142631413011 0.06914742384481 0.71959717621911 208.980 > 24 95 Bi 0.40142631413011 0.56914742384481 0.71959717621911 208.980 > 24 96 Bi 0.90142631413011 0.56914742384481 0.71959717621911 208.980 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2142247 0.0000000 -0.0270627 0.0000000 4.9667006 0.0000000 -0.0270622 0.0000000 4.9238878 -------------------------- Born effective charges -------------------------- 1 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 2 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 3 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 4 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 5 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 6 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 7 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 8 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 9 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 10 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 11 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 12 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 13 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 14 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 15 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 16 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 17 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 18 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 19 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 20 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 21 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 22 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 23 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 24 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 ---------------------------------------------------------------------------- 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): 0.017 Solver_block: 100 / 720 - Time: 1.013 Solver_block: 200 / 720 - Time: 1.111 Solver_block: 300 / 720 - Time: 1.256 Solver_block: 400 / 720 - Time: 1.038 Solver_block: 500 / 720 - Time: 0.903 Solver_block: 600 / 720 - Time: 0.824 Solver_block: 700 / 720 - Time: 0.715 Solver_block: 720 / 720 - Time: 0.474 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.877 --------------------------------- 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 2026-01-08 06:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:38:07]------------------------- 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 6.728440330180540 0.000000000000000 0.000000000000000 b 0.000000000000000 7.140332329999999 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): 1 O 0.61284538012042 0.29250099862646 0.39099455966374 15.999 2 O 0.38715461987958 0.79250099862646 0.10900544033626 15.999 3 O 0.38715461987958 0.70749900137354 0.60900544033626 15.999 4 O 0.61284538012042 0.20749900137354 0.89099455966374 15.999 5 O 0.36045064501940 0.39567826777246 0.02393321868220 15.999 6 O 0.63954935498060 0.89567826777246 0.47606678131780 15.999 7 O 0.63954935498060 0.60432173222754 0.97606678131780 15.999 8 O 0.36045064501940 0.10432173222754 0.52393321868220 15.999 9 O 0.16217030096053 0.99825327763945 0.73674277606306 15.999 10 O 0.83782969903947 0.49825327763945 0.76325722393694 15.999 11 O 0.83782969903947 0.00174672236055 0.26325722393694 15.999 12 O 0.16217030096053 0.50174672236055 0.23674277606306 15.999 13 O 0.12571845077542 0.35470227065567 0.60857417569906 15.999 14 O 0.87428154922459 0.85470227065567 0.89142582430094 15.999 15 O 0.87428154922459 0.64529772934433 0.39142582430094 15.999 16 O 0.12571845077542 0.14529772934433 0.10857417569906 15.999 17 As 0.31147704869231 0.33783557973074 0.19998830628389 74.922 18 As 0.68852295130769 0.83783557973074 0.30001169371611 74.922 19 As 0.68852295130769 0.66216442026926 0.80001169371611 74.922 20 As 0.31147704869231 0.16216442026926 0.69998830628389 74.922 21 Bi 0.80285262826022 0.36170515231038 0.21959717621911 208.980 22 Bi 0.19714737173978 0.86170515231038 0.28040282378089 208.980 23 Bi 0.19714737173978 0.63829484768962 0.78040282378089 208.980 24 Bi 0.80285262826022 0.13829484768962 0.71959717621911 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.456880660361080 0.000000000000000 0.000000000000000 b 0.000000000000000 14.280664659999998 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): 1 O 0.30642269006021 0.14625049931323 0.39099455966374 15.999 > 1 2 O 0.80642269006021 0.14625049931323 0.39099455966374 15.999 > 1 3 O 0.30642269006021 0.64625049931323 0.39099455966374 15.999 > 1 4 O 0.80642269006021 0.64625049931323 0.39099455966374 15.999 > 1 5 O 0.19357730993979 0.39625049931323 0.10900544033626 15.999 > 5 6 O 0.69357730993979 0.39625049931323 0.10900544033626 15.999 > 5 7 O 0.19357730993979 0.89625049931323 0.10900544033626 15.999 > 5 8 O 0.69357730993979 0.89625049931323 0.10900544033626 15.999 > 5 9 O 0.19357730993979 0.35374950068677 0.60900544033626 15.999 > 9 10 O 0.69357730993979 0.35374950068677 0.60900544033626 15.999 > 9 11 O 0.19357730993979 0.85374950068677 0.60900544033626 15.999 > 9 12 O 0.69357730993979 0.85374950068677 0.60900544033626 15.999 > 9 13 O 0.30642269006021 0.10374950068677 0.89099455966374 15.999 > 13 14 O 0.80642269006021 0.10374950068677 0.89099455966374 15.999 > 13 15 O 0.30642269006021 0.60374950068677 0.89099455966374 15.999 > 13 16 O 0.80642269006021 0.60374950068677 0.89099455966374 15.999 > 13 17 O 0.18022532250970 0.19783913388623 0.02393321868220 15.999 > 17 18 O 0.68022532250970 0.19783913388623 0.02393321868220 15.999 > 17 19 O 0.18022532250970 0.69783913388623 0.02393321868220 15.999 > 17 20 O 0.68022532250970 0.69783913388623 0.02393321868220 15.999 > 17 21 O 0.31977467749030 0.44783913388623 0.47606678131780 15.999 > 21 22 O 0.81977467749030 0.44783913388623 0.47606678131780 15.999 > 21 23 O 0.31977467749030 0.94783913388623 0.47606678131780 15.999 > 21 24 O 0.81977467749030 0.94783913388623 0.47606678131780 15.999 > 21 25 O 0.31977467749030 0.30216086611377 0.97606678131780 15.999 > 25 26 O 0.81977467749030 0.30216086611377 0.97606678131780 15.999 > 25 27 O 0.31977467749030 0.80216086611377 0.97606678131780 15.999 > 25 28 O 0.81977467749030 0.80216086611377 0.97606678131780 15.999 > 25 29 O 0.18022532250970 0.05216086611377 0.52393321868220 15.999 > 29 30 O 0.68022532250970 0.05216086611377 0.52393321868220 15.999 > 29 31 O 0.18022532250970 0.55216086611377 0.52393321868220 15.999 > 29 32 O 0.68022532250970 0.55216086611377 0.52393321868220 15.999 > 29 33 O 0.08108515048027 0.49912663881972 0.73674277606306 15.999 > 33 34 O 0.58108515048026 0.49912663881972 0.73674277606306 15.999 > 33 35 O 0.08108515048027 0.99912663881972 0.73674277606306 15.999 > 33 36 O 0.58108515048026 0.99912663881972 0.73674277606306 15.999 > 33 37 O 0.41891484951974 0.24912663881972 0.76325722393694 15.999 > 37 38 O 0.91891484951974 0.24912663881972 0.76325722393694 15.999 > 37 39 O 0.41891484951974 0.74912663881972 0.76325722393694 15.999 > 37 40 O 0.91891484951974 0.74912663881972 0.76325722393694 15.999 > 37 41 O 0.41891484951974 0.00087336118028 0.26325722393694 15.999 > 41 42 O 0.91891484951974 0.00087336118028 0.26325722393694 15.999 > 41 43 O 0.41891484951974 0.50087336118028 0.26325722393694 15.999 > 41 44 O 0.91891484951974 0.50087336118028 0.26325722393694 15.999 > 41 45 O 0.08108515048027 0.25087336118028 0.23674277606306 15.999 > 45 46 O 0.58108515048026 0.25087336118028 0.23674277606306 15.999 > 45 47 O 0.08108515048027 0.75087336118028 0.23674277606306 15.999 > 45 48 O 0.58108515048026 0.75087336118028 0.23674277606306 15.999 > 45 49 O 0.06285922538771 0.17735113532784 0.60857417569906 15.999 > 49 50 O 0.56285922538771 0.17735113532784 0.60857417569906 15.999 > 49 51 O 0.06285922538771 0.67735113532783 0.60857417569906 15.999 > 49 52 O 0.56285922538771 0.67735113532783 0.60857417569906 15.999 > 49 53 O 0.43714077461229 0.42735113532783 0.89142582430094 15.999 > 53 54 O 0.93714077461229 0.42735113532783 0.89142582430094 15.999 > 53 55 O 0.43714077461229 0.92735113532783 0.89142582430094 15.999 > 53 56 O 0.93714077461229 0.92735113532783 0.89142582430094 15.999 > 53 57 O 0.43714077461229 0.32264886467217 0.39142582430094 15.999 > 57 58 O 0.93714077461229 0.32264886467217 0.39142582430094 15.999 > 57 59 O 0.43714077461229 0.82264886467217 0.39142582430094 15.999 > 57 60 O 0.93714077461229 0.82264886467217 0.39142582430094 15.999 > 57 61 O 0.06285922538771 0.07264886467216 0.10857417569906 15.999 > 61 62 O 0.56285922538771 0.07264886467216 0.10857417569906 15.999 > 61 63 O 0.06285922538771 0.57264886467217 0.10857417569906 15.999 > 61 64 O 0.56285922538771 0.57264886467217 0.10857417569906 15.999 > 61 65 As 0.15573852434616 0.16891778986537 0.19998830628389 74.922 > 65 66 As 0.65573852434616 0.16891778986537 0.19998830628389 74.922 > 65 67 As 0.15573852434616 0.66891778986537 0.19998830628389 74.922 > 65 68 As 0.65573852434616 0.66891778986537 0.19998830628389 74.922 > 65 69 As 0.34426147565384 0.41891778986537 0.30001169371611 74.922 > 69 70 As 0.84426147565384 0.41891778986537 0.30001169371611 74.922 > 69 71 As 0.34426147565384 0.91891778986537 0.30001169371611 74.922 > 69 72 As 0.84426147565384 0.91891778986537 0.30001169371611 74.922 > 69 73 As 0.34426147565384 0.33108221013463 0.80001169371611 74.922 > 73 74 As 0.84426147565384 0.33108221013463 0.80001169371611 74.922 > 73 75 As 0.34426147565384 0.83108221013463 0.80001169371611 74.922 > 73 76 As 0.84426147565384 0.83108221013463 0.80001169371611 74.922 > 73 77 As 0.15573852434616 0.08108221013463 0.69998830628389 74.922 > 77 78 As 0.65573852434616 0.08108221013463 0.69998830628389 74.922 > 77 79 As 0.15573852434616 0.58108221013463 0.69998830628389 74.922 > 77 80 As 0.65573852434616 0.58108221013463 0.69998830628389 74.922 > 77 81 Bi 0.40142631413011 0.18085257615519 0.21959717621911 208.980 > 81 82 Bi 0.90142631413011 0.18085257615519 0.21959717621911 208.980 > 81 83 Bi 0.40142631413011 0.68085257615519 0.21959717621911 208.980 > 81 84 Bi 0.90142631413011 0.68085257615519 0.21959717621911 208.980 > 81 85 Bi 0.09857368586989 0.43085257615519 0.28040282378089 208.980 > 85 86 Bi 0.59857368586989 0.43085257615519 0.28040282378089 208.980 > 85 87 Bi 0.09857368586989 0.93085257615519 0.28040282378089 208.980 > 85 88 Bi 0.59857368586989 0.93085257615519 0.28040282378089 208.980 > 85 89 Bi 0.09857368586989 0.31914742384481 0.78040282378089 208.980 > 89 90 Bi 0.59857368586989 0.31914742384481 0.78040282378089 208.980 > 89 91 Bi 0.09857368586989 0.81914742384481 0.78040282378089 208.980 > 89 92 Bi 0.59857368586989 0.81914742384481 0.78040282378089 208.980 > 89 93 Bi 0.40142631413011 0.06914742384481 0.71959717621911 208.980 > 93 94 Bi 0.90142631413011 0.06914742384481 0.71959717621911 208.980 > 93 95 Bi 0.40142631413011 0.56914742384481 0.71959717621911 208.980 > 93 96 Bi 0.90142631413011 0.56914742384481 0.71959717621911 208.980 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2142247 0.0000000 -0.0270627 0.0000000 4.9667006 0.0000000 -0.0270622 0.0000000 4.9238878 -------------------------- Born effective charges -------------------------- 1 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 2 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 3 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 4 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 5 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 6 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 7 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 8 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 9 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 10 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 11 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 12 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 13 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 14 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 15 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 16 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 17 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 18 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 19 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 20 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 21 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 22 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 23 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 24 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:38:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:38:32]------------------------- 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 6.728440330180540 0.000000000000000 0.000000000000000 b 0.000000000000000 7.140332329999999 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): 1 O 0.61284538012042 0.29250099862646 0.39099455966374 15.999 2 O 0.38715461987958 0.79250099862646 0.10900544033626 15.999 3 O 0.38715461987958 0.70749900137354 0.60900544033626 15.999 4 O 0.61284538012042 0.20749900137354 0.89099455966374 15.999 5 O 0.36045064501940 0.39567826777246 0.02393321868220 15.999 6 O 0.63954935498060 0.89567826777246 0.47606678131780 15.999 7 O 0.63954935498060 0.60432173222754 0.97606678131780 15.999 8 O 0.36045064501940 0.10432173222754 0.52393321868220 15.999 9 O 0.16217030096053 0.99825327763945 0.73674277606306 15.999 10 O 0.83782969903947 0.49825327763945 0.76325722393694 15.999 11 O 0.83782969903947 0.00174672236055 0.26325722393694 15.999 12 O 0.16217030096053 0.50174672236055 0.23674277606306 15.999 13 O 0.12571845077542 0.35470227065567 0.60857417569906 15.999 14 O 0.87428154922459 0.85470227065567 0.89142582430094 15.999 15 O 0.87428154922459 0.64529772934433 0.39142582430094 15.999 16 O 0.12571845077542 0.14529772934433 0.10857417569906 15.999 17 As 0.31147704869231 0.33783557973074 0.19998830628389 74.922 18 As 0.68852295130769 0.83783557973074 0.30001169371611 74.922 19 As 0.68852295130769 0.66216442026926 0.80001169371611 74.922 20 As 0.31147704869231 0.16216442026926 0.69998830628389 74.922 21 Bi 0.80285262826022 0.36170515231038 0.21959717621911 208.980 22 Bi 0.19714737173978 0.86170515231038 0.28040282378089 208.980 23 Bi 0.19714737173978 0.63829484768962 0.78040282378089 208.980 24 Bi 0.80285262826022 0.13829484768962 0.71959717621911 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.456880660361080 0.000000000000000 0.000000000000000 b 0.000000000000000 14.280664659999998 0.000000000000000 c -4.947391394487899 0.000000000000000 6.636209937466551 Atomic positions (fractional): 1 O 0.30642269006021 0.14625049931323 0.39099455966374 15.999 > 1 2 O 0.80642269006021 0.14625049931323 0.39099455966374 15.999 > 1 3 O 0.30642269006021 0.64625049931323 0.39099455966374 15.999 > 1 4 O 0.80642269006021 0.64625049931323 0.39099455966374 15.999 > 1 5 O 0.19357730993979 0.39625049931323 0.10900544033626 15.999 > 5 6 O 0.69357730993979 0.39625049931323 0.10900544033626 15.999 > 5 7 O 0.19357730993979 0.89625049931323 0.10900544033626 15.999 > 5 8 O 0.69357730993979 0.89625049931323 0.10900544033626 15.999 > 5 9 O 0.19357730993979 0.35374950068677 0.60900544033626 15.999 > 9 10 O 0.69357730993979 0.35374950068677 0.60900544033626 15.999 > 9 11 O 0.19357730993979 0.85374950068677 0.60900544033626 15.999 > 9 12 O 0.69357730993979 0.85374950068677 0.60900544033626 15.999 > 9 13 O 0.30642269006021 0.10374950068677 0.89099455966374 15.999 > 13 14 O 0.80642269006021 0.10374950068677 0.89099455966374 15.999 > 13 15 O 0.30642269006021 0.60374950068677 0.89099455966374 15.999 > 13 16 O 0.80642269006021 0.60374950068677 0.89099455966374 15.999 > 13 17 O 0.18022532250970 0.19783913388623 0.02393321868220 15.999 > 17 18 O 0.68022532250970 0.19783913388623 0.02393321868220 15.999 > 17 19 O 0.18022532250970 0.69783913388623 0.02393321868220 15.999 > 17 20 O 0.68022532250970 0.69783913388623 0.02393321868220 15.999 > 17 21 O 0.31977467749030 0.44783913388623 0.47606678131780 15.999 > 21 22 O 0.81977467749030 0.44783913388623 0.47606678131780 15.999 > 21 23 O 0.31977467749030 0.94783913388623 0.47606678131780 15.999 > 21 24 O 0.81977467749030 0.94783913388623 0.47606678131780 15.999 > 21 25 O 0.31977467749030 0.30216086611377 0.97606678131780 15.999 > 25 26 O 0.81977467749030 0.30216086611377 0.97606678131780 15.999 > 25 27 O 0.31977467749030 0.80216086611377 0.97606678131780 15.999 > 25 28 O 0.81977467749030 0.80216086611377 0.97606678131780 15.999 > 25 29 O 0.18022532250970 0.05216086611377 0.52393321868220 15.999 > 29 30 O 0.68022532250970 0.05216086611377 0.52393321868220 15.999 > 29 31 O 0.18022532250970 0.55216086611377 0.52393321868220 15.999 > 29 32 O 0.68022532250970 0.55216086611377 0.52393321868220 15.999 > 29 33 O 0.08108515048027 0.49912663881972 0.73674277606306 15.999 > 33 34 O 0.58108515048026 0.49912663881972 0.73674277606306 15.999 > 33 35 O 0.08108515048027 0.99912663881972 0.73674277606306 15.999 > 33 36 O 0.58108515048026 0.99912663881972 0.73674277606306 15.999 > 33 37 O 0.41891484951974 0.24912663881972 0.76325722393694 15.999 > 37 38 O 0.91891484951974 0.24912663881972 0.76325722393694 15.999 > 37 39 O 0.41891484951974 0.74912663881972 0.76325722393694 15.999 > 37 40 O 0.91891484951974 0.74912663881972 0.76325722393694 15.999 > 37 41 O 0.41891484951974 0.00087336118028 0.26325722393694 15.999 > 41 42 O 0.91891484951974 0.00087336118028 0.26325722393694 15.999 > 41 43 O 0.41891484951974 0.50087336118028 0.26325722393694 15.999 > 41 44 O 0.91891484951974 0.50087336118028 0.26325722393694 15.999 > 41 45 O 0.08108515048027 0.25087336118028 0.23674277606306 15.999 > 45 46 O 0.58108515048026 0.25087336118028 0.23674277606306 15.999 > 45 47 O 0.08108515048027 0.75087336118028 0.23674277606306 15.999 > 45 48 O 0.58108515048026 0.75087336118028 0.23674277606306 15.999 > 45 49 O 0.06285922538771 0.17735113532784 0.60857417569906 15.999 > 49 50 O 0.56285922538771 0.17735113532784 0.60857417569906 15.999 > 49 51 O 0.06285922538771 0.67735113532783 0.60857417569906 15.999 > 49 52 O 0.56285922538771 0.67735113532783 0.60857417569906 15.999 > 49 53 O 0.43714077461229 0.42735113532783 0.89142582430094 15.999 > 53 54 O 0.93714077461229 0.42735113532783 0.89142582430094 15.999 > 53 55 O 0.43714077461229 0.92735113532783 0.89142582430094 15.999 > 53 56 O 0.93714077461229 0.92735113532783 0.89142582430094 15.999 > 53 57 O 0.43714077461229 0.32264886467217 0.39142582430094 15.999 > 57 58 O 0.93714077461229 0.32264886467217 0.39142582430094 15.999 > 57 59 O 0.43714077461229 0.82264886467217 0.39142582430094 15.999 > 57 60 O 0.93714077461229 0.82264886467217 0.39142582430094 15.999 > 57 61 O 0.06285922538771 0.07264886467216 0.10857417569906 15.999 > 61 62 O 0.56285922538771 0.07264886467216 0.10857417569906 15.999 > 61 63 O 0.06285922538771 0.57264886467217 0.10857417569906 15.999 > 61 64 O 0.56285922538771 0.57264886467217 0.10857417569906 15.999 > 61 65 As 0.15573852434616 0.16891778986537 0.19998830628389 74.922 > 65 66 As 0.65573852434616 0.16891778986537 0.19998830628389 74.922 > 65 67 As 0.15573852434616 0.66891778986537 0.19998830628389 74.922 > 65 68 As 0.65573852434616 0.66891778986537 0.19998830628389 74.922 > 65 69 As 0.34426147565384 0.41891778986537 0.30001169371611 74.922 > 69 70 As 0.84426147565384 0.41891778986537 0.30001169371611 74.922 > 69 71 As 0.34426147565384 0.91891778986537 0.30001169371611 74.922 > 69 72 As 0.84426147565384 0.91891778986537 0.30001169371611 74.922 > 69 73 As 0.34426147565384 0.33108221013463 0.80001169371611 74.922 > 73 74 As 0.84426147565384 0.33108221013463 0.80001169371611 74.922 > 73 75 As 0.34426147565384 0.83108221013463 0.80001169371611 74.922 > 73 76 As 0.84426147565384 0.83108221013463 0.80001169371611 74.922 > 73 77 As 0.15573852434616 0.08108221013463 0.69998830628389 74.922 > 77 78 As 0.65573852434616 0.08108221013463 0.69998830628389 74.922 > 77 79 As 0.15573852434616 0.58108221013463 0.69998830628389 74.922 > 77 80 As 0.65573852434616 0.58108221013463 0.69998830628389 74.922 > 77 81 Bi 0.40142631413011 0.18085257615519 0.21959717621911 208.980 > 81 82 Bi 0.90142631413011 0.18085257615519 0.21959717621911 208.980 > 81 83 Bi 0.40142631413011 0.68085257615519 0.21959717621911 208.980 > 81 84 Bi 0.90142631413011 0.68085257615519 0.21959717621911 208.980 > 81 85 Bi 0.09857368586989 0.43085257615519 0.28040282378089 208.980 > 85 86 Bi 0.59857368586989 0.43085257615519 0.28040282378089 208.980 > 85 87 Bi 0.09857368586989 0.93085257615519 0.28040282378089 208.980 > 85 88 Bi 0.59857368586989 0.93085257615519 0.28040282378089 208.980 > 85 89 Bi 0.09857368586989 0.31914742384481 0.78040282378089 208.980 > 89 90 Bi 0.59857368586989 0.31914742384481 0.78040282378089 208.980 > 89 91 Bi 0.09857368586989 0.81914742384481 0.78040282378089 208.980 > 89 92 Bi 0.59857368586989 0.81914742384481 0.78040282378089 208.980 > 89 93 Bi 0.40142631413011 0.06914742384481 0.71959717621911 208.980 > 93 94 Bi 0.90142631413011 0.06914742384481 0.71959717621911 208.980 > 93 95 Bi 0.40142631413011 0.56914742384481 0.71959717621911 208.980 > 93 96 Bi 0.90142631413011 0.56914742384481 0.71959717621911 208.980 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2142247 0.0000000 -0.0270627 0.0000000 4.9667006 0.0000000 -0.0270622 0.0000000 4.9238878 -------------------------- Born effective charges -------------------------- 1 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 2 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 3 O -2.4188192 -0.0919564 0.1023571 -0.1302023 -1.3744290 0.8134635 -0.0655421 0.6812659 -2.6130378 4 O -2.4188192 0.0919564 0.1023571 0.1302023 -1.3744290 -0.8134635 -0.0655421 -0.6812659 -2.6130378 5 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 6 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 7 O -2.6932416 -0.2158885 0.2641342 -0.3579319 -1.7726531 0.9089976 0.2671932 0.7705803 -2.6030247 8 O -2.6932416 0.2158885 0.2641342 0.3579319 -1.7726531 -0.9089976 0.2671932 -0.7705803 -2.6030247 9 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 10 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 11 O -2.7883006 -0.2238708 0.0560875 -0.3928773 -2.5794534 0.1419509 0.0449795 0.2725377 -0.9932223 12 O -2.7883006 0.2238708 0.0560875 0.3928773 -2.5794534 -0.1419509 0.0449795 -0.2725377 -0.9932223 13 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 14 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 15 O -1.6116711 0.5701147 -0.2459984 0.5914694 -3.0412229 0.0190401 -0.0741407 -0.2760534 -2.3292825 16 O -1.6116711 -0.5701147 -0.2459984 -0.5914694 -3.0412229 -0.0190401 -0.0741407 0.2760534 -2.3292825 17 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 18 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 19 As 4.6325146 -0.1510604 -0.0491482 0.1305227 3.5975628 0.0289413 -0.0178589 0.0741965 3.0689512 20 As 4.6325146 0.1510604 -0.0491482 -0.1305227 3.5975628 -0.0289413 -0.0178589 -0.0741965 3.0689512 21 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 22 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 23 Bi 4.8795179 0.3102994 -0.1274322 0.1432571 5.1701955 0.1371831 -0.1546310 0.0368238 5.4696162 24 Bi 4.8795179 -0.3102994 -0.1274322 -0.1432571 5.1701955 -0.1371831 -0.1546310 -0.0368238 5.4696162 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 9 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: 0.61, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 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 1.718 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.749 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.088 ( 0.000 0.000 0.000) 0.000 11.204 ( 0.000 0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.899 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 0.000) 0.000 13.774 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 20.823 ( 0.000 0.000 0.000) 0.000 21.092 ( 0.000 0.000 0.000) 0.000 21.632 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 22.738 ( 0.000 0.000 0.000) 0.000 23.168 ( 0.000 0.000 0.000) 0.000 23.385 ( 0.000 0.000 0.000) 0.000 23.389 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 23.545 ( 0.000 0.000 0.000) 0.000 23.842 ( 0.000 0.000 0.000) 0.000 23.862 ( 0.000 0.000 0.000) 0.000 23.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 17.066 0.000 13.905) 22.013 0.538 ( 12.080 0.000 24.374) 27.204 0.950 ( 41.756 0.000 16.580) 44.928 1.713 ( -1.635 0.000 -11.206) 11.325 1.807 ( 8.761 0.000 -1.213) 8.845 2.064 ( -0.269 0.000 0.782) 0.827 2.127 ( -6.261 0.000 7.256) 9.584 2.261 ( 2.710 0.000 -3.592) 4.499 2.292 ( 3.654 0.000 -1.204) 3.847 2.365 ( 5.985 0.000 6.059) 8.517 2.729 ( 1.804 0.000 5.340) 5.636 2.951 ( 11.818 0.000 6.784) 13.627 3.113 ( -18.341 0.000 33.823) 38.476 3.212 ( 0.720 0.000 -7.210) 7.246 3.418 ( -0.232 0.000 1.620) 1.637 3.743 ( 3.288 0.000 1.323) 3.544 3.779 ( -0.628 0.000 0.868) 1.071 3.853 ( -0.455 0.000 -2.680) 2.718 4.158 ( 0.718 0.000 10.861) 10.885 4.333 ( -8.933 0.000 2.141) 9.186 4.550 ( 3.274 0.000 3.756) 4.983 4.677 ( 13.395 0.000 -5.037) 14.310 4.768 ( 2.933 0.000 2.597) 3.917 4.877 ( 1.296 0.000 -2.877) 3.156 5.014 ( 11.106 0.000 -0.505) 11.117 5.475 ( 1.245 0.000 -3.571) 3.781 5.727 ( 5.669 0.000 0.740) 5.718 5.740 ( -2.350 0.000 -0.715) 2.457 5.895 ( 8.025 0.000 7.085) 10.705 6.321 ( 2.775 0.000 2.137) 3.502 6.379 ( -4.450 0.000 -1.350) 4.650 6.641 ( 17.938 0.000 -28.778) 33.911 6.677 ( 11.704 0.000 -1.404) 11.788 7.293 ( -2.230 0.000 -7.307) 7.640 7.404 ( -6.361 0.000 6.806) 9.316 8.118 ( -1.377 0.000 -1.039) 1.725 8.178 ( 3.688 0.000 -0.068) 3.689 9.397 ( -2.551 0.000 -0.803) 2.674 9.487 ( 5.363 0.000 -1.695) 5.624 9.506 ( -10.867 0.000 4.912) 11.926 9.539 ( -1.008 0.000 -4.419) 4.532 10.006 ( -1.078 0.000 -5.542) 5.646 10.201 ( 3.536 0.000 -13.652) 14.102 10.992 ( -11.782 0.000 1.542) 11.883 11.063 ( -7.524 0.000 7.493) 10.619 11.139 ( -3.544 0.000 -4.921) 6.065 11.705 ( 1.559 0.000 -0.314) 1.591 11.806 ( -2.938 0.000 5.288) 6.049 11.877 ( -2.208 0.000 3.254) 3.933 12.238 ( -3.475 0.000 0.295) 3.488 12.629 ( -30.428 0.000 14.129) 33.548 12.740 ( -1.406 0.000 0.544) 1.508 13.347 ( 14.796 0.000 7.557) 16.614 13.836 ( 5.544 0.000 1.839) 5.841 13.891 ( 5.798 0.000 -0.702) 5.840 14.663 ( 28.071 0.000 -38.927) 47.992 20.837 ( 0.893 0.000 1.137) 1.445 21.067 ( -3.423 0.000 0.624) 3.479 21.639 ( -0.571 0.000 1.784) 1.873 22.054 ( -5.076 0.000 6.103) 7.939 22.063 ( -3.534 0.000 -2.467) 4.310 22.179 ( 0.031 0.000 1.554) 1.554 22.429 ( 2.385 0.000 0.173) 2.392 22.746 ( 0.469 0.000 0.519) 0.699 23.216 ( 3.528 0.000 2.710) 4.449 23.407 ( 1.437 0.000 1.460) 2.048 23.444 ( -0.000 0.000 0.823) 0.823 23.542 ( -2.381 0.000 3.717) 4.415 23.799 ( -1.163 0.000 -2.276) 2.556 23.916 ( 6.076 0.000 -2.777) 6.680 23.930 ( -0.719 0.000 -2.560) 2.659 25.282 ( 14.781 0.000 -17.307) 22.760 ======================= Grid point 2 (3/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 17.018 0.000 9.037) 19.269 0.972 ( 8.721 0.000 17.709) 19.740 1.623 ( 5.506 0.000 -7.998) 9.710 1.680 ( 20.202 0.000 6.101) 21.103 1.893 ( 8.885 0.000 -0.055) 8.885 2.088 ( 2.073 0.000 0.340) 2.101 2.220 ( 6.671 0.000 3.772) 7.663 2.232 ( -1.302 0.000 -2.242) 2.592 2.322 ( 5.492 0.000 -1.422) 5.674 2.530 ( 5.647 0.000 4.732) 7.367 2.906 ( 9.140 0.000 7.042) 11.539 3.084 ( 0.030 0.000 -8.469) 8.469 3.257 ( -0.070 0.000 12.992) 12.992 3.263 ( 6.810 0.000 -0.200) 6.813 3.472 ( 7.094 0.000 6.944) 9.927 3.769 ( -2.883 0.000 -1.606) 3.300 3.812 ( 4.298 0.000 -0.989) 4.410 3.848 ( 3.413 0.000 2.611) 4.297 4.225 ( -7.475 0.000 3.293) 8.168 4.323 ( 0.133 0.000 13.611) 13.612 4.666 ( 2.812 0.000 5.105) 5.828 4.708 ( 5.071 0.000 -8.920) 10.261 4.885 ( 7.888 0.000 -4.443) 9.053 4.895 ( 0.830 0.000 5.516) 5.578 5.261 ( 15.507 0.000 1.403) 15.571 5.486 ( 2.787 0.000 -5.487) 6.154 5.807 ( 12.655 0.000 3.354) 13.091 5.834 ( 6.030 0.000 -0.241) 6.035 6.096 ( 7.371 0.000 3.174) 8.025 6.308 ( -2.155 0.000 -1.529) 2.642 6.431 ( 3.860 0.000 6.363) 7.442 6.545 ( 6.234 0.000 -16.511) 17.649 6.903 ( 7.879 0.000 9.751) 12.536 7.127 ( -6.950 0.000 -6.700) 9.654 7.403 ( -2.069 0.000 5.701) 6.065 8.056 ( -3.509 0.000 -2.456) 4.283 8.260 ( 3.825 0.000 3.246) 5.016 9.293 ( -9.845 0.000 -0.504) 9.858 9.384 ( -2.858 0.000 -4.043) 4.951 9.420 ( -3.196 0.000 -9.685) 10.198 9.565 ( 5.387 0.000 -1.358) 5.556 9.891 ( -0.265 0.000 -10.393) 10.396 10.045 ( -6.090 0.000 -7.606) 9.744 10.779 ( -14.537 0.000 0.897) 14.565 11.006 ( -3.635 0.000 -5.024) 6.201 11.039 ( -6.803 0.000 8.261) 10.701 11.705 ( 2.105 0.000 -16.245) 16.381 11.725 ( 1.698 0.000 -1.062) 2.003 11.972 ( 0.566 0.000 9.484) 9.501 12.194 ( -1.767 0.000 0.613) 1.870 12.360 ( -23.008 0.000 14.602) 27.250 12.695 ( -4.503 0.000 -0.179) 4.507 13.651 ( 13.356 0.000 3.772) 13.879 13.973 ( 6.299 0.000 3.169) 7.051 13.998 ( 8.105 0.000 -1.528) 8.247 14.636 ( 11.967 0.000 -19.259) 22.674 20.879 ( 1.676 0.000 2.255) 2.810 21.010 ( -2.368 0.000 -1.560) 2.835 21.651 ( -1.202 0.000 2.348) 2.638 21.958 ( -3.986 0.000 -4.222) 5.806 22.044 ( -2.351 0.000 2.339) 3.316 22.186 ( -2.059 0.000 2.446) 3.197 22.478 ( 3.307 0.000 -0.164) 3.311 22.761 ( 0.324 0.000 0.709) 0.780 23.335 ( 5.475 0.000 3.546) 6.523 23.462 ( 0.808 0.000 1.081) 1.350 23.462 ( 2.126 0.000 2.326) 3.152 23.557 ( -2.610 0.000 5.652) 6.226 23.755 ( -0.267 0.000 -2.895) 2.908 23.873 ( -1.385 0.000 -3.551) 3.812 23.982 ( 7.548 0.000 -4.955) 9.029 25.321 ( 6.794 0.000 -5.579) 8.791 ======================= Grid point 3 (4/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 13.941 0.000 2.974) 14.254 1.266 ( 6.908 0.000 9.571) 11.803 1.678 ( 7.439 0.000 -1.988) 7.700 1.720 ( -3.091 0.000 -2.706) 4.108 2.082 ( 3.791 0.000 -0.553) 3.831 2.118 ( 2.232 0.000 -2.069) 3.044 2.177 ( -4.262 0.000 1.228) 4.435 2.327 ( 4.382 0.000 1.059) 4.509 2.590 ( 18.744 0.000 4.676) 19.319 2.666 ( 3.977 0.000 3.968) 5.618 2.967 ( -1.401 0.000 -7.129) 7.265 3.135 ( 7.592 0.000 5.750) 9.524 3.183 ( -5.262 0.000 -6.646) 8.477 3.389 ( 3.550 0.000 2.536) 4.363 3.671 ( -5.682 0.000 -1.765) 5.950 3.768 ( 7.092 0.000 7.647) 10.429 3.855 ( 6.798 0.000 -3.982) 7.878 4.020 ( 8.250 0.000 7.895) 11.419 4.210 ( -1.074 0.000 7.516) 7.593 4.478 ( -0.652 0.000 11.607) 11.626 4.665 ( 2.929 0.000 -8.124) 8.636 4.755 ( 1.946 0.000 3.416) 3.931 4.933 ( -3.643 0.000 5.715) 6.778 5.032 ( 12.156 0.000 -0.761) 12.180 5.447 ( 2.241 0.000 -5.197) 5.660 5.506 ( 11.394 0.000 0.634) 11.411 5.909 ( 4.066 0.000 -0.801) 4.144 6.119 ( 14.073 0.000 2.448) 14.284 6.228 ( 9.273 0.000 -0.663) 9.297 6.263 ( 0.876 0.000 -4.090) 4.183 6.456 ( 0.530 0.000 -7.243) 7.263 6.568 ( 1.653 0.000 6.538) 6.743 6.922 ( -8.879 0.000 -3.798) 9.657 7.155 ( 6.271 0.000 10.833) 12.517 7.490 ( 4.737 0.000 3.945) 6.164 7.951 ( -4.282 0.000 -3.314) 5.414 8.390 ( 3.824 0.000 8.136) 8.990 9.109 ( -8.689 0.000 -2.149) 8.950 9.195 ( -7.243 0.000 -12.200) 14.188 9.299 ( -1.511 0.000 -4.606) 4.847 9.606 ( 0.985 0.000 -0.960) 1.376 9.767 ( 0.332 0.000 -8.993) 8.999 9.837 ( -8.750 0.000 -4.760) 9.961 10.570 ( -10.844 0.000 0.425) 10.852 10.929 ( 1.314 0.000 -3.976) 4.187 11.040 ( -3.294 0.000 5.228) 6.179 11.531 ( -0.433 0.000 -12.575) 12.582 11.734 ( 1.134 0.000 -1.239) 1.680 12.086 ( 1.549 0.000 5.649) 5.858 12.208 ( 2.419 0.000 0.981) 2.610 12.223 ( -13.101 0.000 10.646) 16.881 12.588 ( -7.314 0.000 -1.028) 7.385 13.877 ( 9.141 0.000 2.581) 9.499 14.098 ( 3.553 0.000 3.298) 4.848 14.103 ( 6.842 0.000 -2.056) 7.145 14.586 ( 4.919 0.000 -11.256) 12.284 20.943 ( 1.983 0.000 2.796) 3.428 20.960 ( -1.426 0.000 -1.322) 1.944 21.656 ( -1.304 0.000 1.860) 2.271 21.837 ( -3.527 0.000 -4.771) 5.933 22.036 ( -1.035 0.000 0.830) 1.326 22.177 ( -2.640 0.000 2.548) 3.669 22.526 ( 2.709 0.000 -0.423) 2.741 22.770 ( -0.112 0.000 0.470) 0.483 23.444 ( 3.342 0.000 0.672) 3.409 23.512 ( 2.608 0.000 2.993) 3.970 23.526 ( 1.697 0.000 2.675) 3.168 23.594 ( -1.374 0.000 5.308) 5.483 23.718 ( 0.051 0.000 -2.867) 2.867 23.808 ( -1.590 0.000 -2.517) 2.977 24.037 ( 6.296 0.000 -5.014) 8.049 25.361 ( 3.480 0.000 -1.892) 3.961 ======================= Grid point 4 (5/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.608 0.000 0.060) 5.608 1.448 ( 5.242 0.000 3.485) 6.295 1.625 ( -4.154 0.000 -1.797) 4.526 1.773 ( 3.579 0.000 0.466) 3.609 2.091 ( 0.159 0.000 -0.614) 0.634 2.114 ( 2.538 0.000 -4.084) 4.808 2.134 ( -4.283 0.000 3.575) 5.579 2.385 ( 1.282 0.000 0.499) 1.376 2.745 ( 0.861 0.000 1.992) 2.171 2.870 ( 8.240 0.000 1.631) 8.400 2.892 ( 0.044 0.000 -2.504) 2.504 3.026 ( -3.752 0.000 -3.810) 5.347 3.276 ( 2.830 0.000 2.446) 3.740 3.447 ( 3.545 0.000 -1.130) 3.721 3.557 ( -5.928 0.000 0.067) 5.928 3.791 ( -0.754 0.000 -0.921) 1.190 3.977 ( 3.679 0.000 0.994) 3.811 4.228 ( 4.937 0.000 4.220) 6.494 4.339 ( 2.863 0.000 5.921) 6.577 4.571 ( -0.415 0.000 4.456) 4.475 4.614 ( 0.953 0.000 -4.800) 4.894 4.810 ( 1.004 0.000 0.977) 1.401 4.933 ( -2.073 0.000 2.491) 3.241 5.203 ( 6.196 0.000 0.888) 6.260 5.439 ( 1.603 0.000 -1.982) 2.549 5.632 ( 3.680 0.000 -0.035) 3.680 5.945 ( 0.815 0.000 -0.615) 1.021 6.249 ( 3.698 0.000 -0.216) 3.704 6.265 ( 4.343 0.000 -1.155) 4.494 6.370 ( -3.661 0.000 -2.865) 4.648 6.407 ( 7.952 0.000 0.660) 7.980 6.582 ( -4.392 0.000 -0.944) 4.493 6.816 ( -1.718 0.000 1.823) 2.505 7.335 ( 2.448 0.000 5.037) 5.600 7.603 ( 3.302 0.000 1.314) 3.554 7.861 ( -1.919 0.000 -1.781) 2.618 8.588 ( 5.538 0.000 10.239) 11.640 8.912 ( -7.767 0.000 -11.350) 13.753 8.989 ( -3.138 0.000 -0.839) 3.249 9.228 ( -0.826 0.000 -2.696) 2.820 9.589 ( -1.028 0.000 -0.321) 1.077 9.681 ( -5.024 0.000 -0.305) 5.034 9.695 ( 1.225 0.000 -4.798) 4.952 10.450 ( -3.894 0.000 0.115) 3.896 10.932 ( 2.034 0.000 -1.612) 2.596 11.052 ( -0.780 0.000 1.778) 1.941 11.412 ( -0.707 0.000 -4.393) 4.449 11.735 ( 0.402 0.000 -0.558) 0.688 12.153 ( -0.417 0.000 3.448) 3.474 12.172 ( -3.039 0.000 2.180) 3.740 12.296 ( 6.255 0.000 1.329) 6.394 12.441 ( -8.162 0.000 -1.406) 8.282 14.008 ( 3.438 0.000 1.215) 3.646 14.163 ( 2.436 0.000 -0.764) 2.553 14.165 ( 1.185 0.000 1.195) 1.683 14.535 ( 1.052 0.000 -4.119) 4.251 20.933 ( -0.466 0.000 -0.465) 0.658 20.999 ( 1.020 0.000 1.472) 1.791 21.656 ( -0.569 0.000 0.699) 0.902 21.745 ( -1.574 0.000 -2.316) 2.800 22.031 ( -0.270 0.000 0.172) 0.320 22.167 ( -1.183 0.000 1.114) 1.626 22.554 ( 1.036 0.000 -0.218) 1.059 22.771 ( -0.132 0.000 0.135) 0.189 23.479 ( 0.898 0.000 0.119) 0.906 23.574 ( 0.573 0.000 1.598) 1.698 23.579 ( 1.526 0.000 0.920) 1.781 23.632 ( -0.324 0.000 2.750) 2.769 23.687 ( 0.076 0.000 -2.102) 2.103 23.769 ( -0.700 0.000 -0.525) 0.875 24.064 ( 2.469 0.000 -2.204) 3.309 25.385 ( 1.092 0.000 -0.458) 1.184 ======================= Grid point 9 (6/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 20.594 0.000) 20.594 0.510 ( 0.000 25.014 0.000) 25.014 0.901 ( 0.000 42.096 0.000) 42.096 1.711 ( 0.000 -0.726 0.000) 0.726 1.917 ( 0.000 -3.483 0.000) 3.483 2.035 ( 0.000 -1.795 0.000) 1.795 2.188 ( 0.000 7.121 0.000) 7.121 2.243 ( 0.000 -3.753 0.000) 3.753 2.288 ( 0.000 4.714 0.000) 4.714 2.329 ( 0.000 6.523 0.000) 6.523 2.684 ( 0.000 -0.559 0.000) 0.559 2.733 ( 0.000 -2.503 0.000) 2.503 2.844 ( 0.000 -1.640 0.000) 1.640 3.394 ( 0.000 12.152 0.000) 12.152 3.628 ( 0.000 -5.652 0.000) 5.652 3.762 ( 0.000 -2.008 0.000) 2.008 3.938 ( 0.000 4.445 0.000) 4.445 4.010 ( 0.000 -0.211 0.000) 0.211 4.239 ( 0.000 -14.688 0.000) 14.688 4.323 ( 0.000 -8.520 0.000) 8.520 4.405 ( 0.000 2.329 0.000) 2.329 4.684 ( 0.000 3.916 0.000) 3.916 4.828 ( 0.000 -1.768 0.000) 1.768 5.002 ( 0.000 2.714 0.000) 2.714 5.069 ( 0.000 13.971 0.000) 13.971 5.325 ( 0.000 1.033 0.000) 1.033 5.549 ( 0.000 -6.587 0.000) 6.587 5.638 ( 0.000 5.411 0.000) 5.411 5.880 ( 0.000 4.592 0.000) 4.592 5.938 ( 0.000 -3.303 0.000) 3.303 6.335 ( 0.000 -8.847 0.000) 8.847 6.462 ( 0.000 -3.834 0.000) 3.834 6.593 ( 0.000 6.931 0.000) 6.931 7.390 ( 0.000 -2.257 0.000) 2.257 7.394 ( 0.000 -3.805 0.000) 3.805 8.036 ( 0.000 -6.273 0.000) 6.273 8.239 ( 0.000 3.957 0.000) 3.957 9.190 ( 0.000 -15.737 0.000) 15.737 9.472 ( 0.000 5.122 0.000) 5.122 9.817 ( 0.000 13.344 0.000) 13.344 10.101 ( 0.000 4.889 0.000) 4.889 10.223 ( 0.000 0.068 0.000) 0.068 10.507 ( 0.000 5.309 0.000) 5.309 11.074 ( 0.000 -1.379 0.000) 1.379 11.087 ( 0.000 0.423 0.000) 0.423 11.450 ( 0.000 0.375 0.000) 0.375 11.592 ( 0.000 3.599 0.000) 3.599 11.651 ( 0.000 -3.915 0.000) 3.915 11.875 ( 0.000 -2.404 0.000) 2.404 12.027 ( 0.000 -0.800 0.000) 0.800 12.537 ( 0.000 0.363 0.000) 0.363 12.717 ( 0.000 -2.578 0.000) 2.578 12.979 ( 0.000 0.406 0.000) 0.406 13.285 ( 0.000 -3.450 0.000) 3.450 13.807 ( 0.000 2.875 0.000) 2.875 13.999 ( 0.000 -0.257 0.000) 0.257 21.094 ( 0.000 0.350 0.000) 0.350 21.427 ( 0.000 -2.287 0.000) 2.287 21.646 ( 0.000 1.202 0.000) 1.202 21.910 ( 0.000 -5.731 0.000) 5.731 22.277 ( 0.000 11.163 0.000) 11.163 22.405 ( 0.000 0.219 0.000) 0.219 22.773 ( 0.000 3.245 0.000) 3.245 23.162 ( 0.000 -0.669 0.000) 0.669 23.251 ( 0.000 -9.769 0.000) 9.769 23.399 ( 0.000 2.436 0.000) 2.436 23.494 ( 0.000 1.465 0.000) 1.465 23.604 ( 0.000 -3.740 0.000) 3.740 23.767 ( 0.000 9.640 0.000) 9.640 23.861 ( 0.000 2.250 0.000) 2.250 23.912 ( 0.000 -3.856 0.000) 3.856 24.659 ( 0.000 0.093 0.000) 0.093 ======================= Grid point 10 (7/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 8.587 15.414 14.384) 22.764 0.794 ( 15.742 17.475 9.836) 25.494 1.200 ( 27.400 25.284 10.522) 38.739 1.705 ( -1.668 -2.035 -9.233) 9.600 1.827 ( 9.265 0.701 -4.930) 10.519 2.043 ( -2.706 -1.893 2.666) 4.244 2.104 ( -2.407 1.610 -1.010) 3.067 2.286 ( 2.962 0.599 -2.583) 3.975 2.302 ( -0.333 1.996 0.695) 2.140 2.467 ( 8.175 5.453 3.004) 10.276 2.733 ( 5.670 0.983 5.776) 8.154 2.880 ( 7.465 -3.926 8.911) 12.270 2.994 ( 6.271 -4.069 9.214) 11.865 3.328 ( -0.718 9.138 -6.093) 11.006 3.617 ( -5.205 2.359 1.094) 5.818 3.750 ( -0.943 -2.684 -1.063) 3.037 3.881 ( -10.157 9.754 3.622) 14.541 3.901 ( -0.273 3.471 -4.804) 5.933 4.143 ( -1.846 -1.655 9.170) 9.500 4.287 ( -2.574 -7.139 7.234) 10.484 4.549 ( 2.459 3.963 -4.509) 6.487 4.633 ( 5.405 -1.887 4.347) 7.188 4.873 ( 0.507 3.379 3.526) 4.910 4.933 ( 5.077 8.838 -9.433) 13.888 5.068 ( 9.319 4.378 2.122) 10.512 5.514 ( 1.187 1.896 -4.750) 5.250 5.612 ( 5.899 -5.346 1.773) 8.156 5.722 ( 6.153 -3.010 2.088) 7.161 5.932 ( 6.093 2.755 6.578) 9.380 6.121 ( 9.873 -10.603 -2.069) 14.634 6.367 ( -3.292 -2.644 1.061) 4.354 6.472 ( 11.404 -10.193 -8.649) 17.571 6.733 ( 8.652 4.777 5.038) 11.093 7.330 ( -2.052 -0.581 -7.104) 7.418 7.387 ( -4.452 -1.458 5.418) 7.162 8.062 ( 2.825 -4.829 -0.701) 5.639 8.219 ( -0.677 2.992 -0.648) 3.135 9.192 ( -4.608 -15.606 4.750) 16.951 9.452 ( -1.615 4.884 -1.039) 5.248 9.763 ( -1.410 13.337 -6.702) 14.993 9.897 ( -15.908 20.467 -7.861) 27.088 10.078 ( -2.829 8.028 -6.892) 10.952 10.205 ( 3.759 0.660 -16.311) 16.752 10.977 ( -11.076 -1.699 0.300) 11.210 11.068 ( -6.186 0.753 5.800) 8.513 11.191 ( -5.758 4.953 -6.401) 9.933 11.659 ( 1.932 -4.554 0.237) 4.953 11.777 ( -3.493 -2.392 9.272) 10.193 11.844 ( -1.185 -3.139 -0.530) 3.397 12.199 ( -2.410 -4.086 2.967) 5.595 12.557 ( -22.310 -5.479 12.389) 26.100 12.719 ( -1.763 -2.208 1.024) 3.005 13.258 ( 21.288 -6.737 5.493) 22.994 13.720 ( 25.322 -16.369 2.904) 30.292 13.871 ( 7.072 2.808 0.352) 7.617 14.143 ( 24.627 -14.060 -9.374) 29.867 21.068 ( -0.085 0.583 -3.867) 3.911 21.221 ( -12.764 11.892 -5.332) 18.242 21.648 ( -0.885 0.704 1.468) 1.853 21.933 ( -0.590 -6.465 3.123) 7.204 22.193 ( -2.321 8.243 -8.119) 11.801 22.434 ( -4.806 5.079 -2.461) 7.413 22.534 ( -12.592 15.710 -1.957) 20.228 22.856 ( -2.170 10.662 -1.669) 11.008 23.221 ( 3.685 0.185 3.043) 4.782 23.434 ( 0.764 2.529 1.392) 2.986 23.447 ( -2.854 0.878 3.473) 4.580 23.558 ( -4.030 0.944 5.903) 7.209 23.805 ( 1.367 1.143 -5.372) 5.660 23.872 ( 3.338 -3.729 -1.162) 5.138 23.919 ( 2.885 -0.102 -3.313) 4.394 25.045 ( 19.153 -14.950 -2.318) 24.407 ======================= Grid point 11 (8/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 9.989 7.761 9.538) 15.843 1.123 ( 9.991 13.908 9.988) 19.825 1.616 ( 4.326 -1.902 -6.789) 8.272 1.742 ( 16.259 7.134 1.765) 17.843 1.946 ( 11.525 4.752 -1.525) 12.559 2.039 ( 0.413 -3.910 2.564) 4.694 2.134 ( 5.084 -4.005 -1.118) 6.568 2.293 ( 0.332 0.631 -0.552) 0.901 2.318 ( 2.612 2.076 1.813) 3.797 2.617 ( 7.899 5.558 3.642) 10.323 2.970 ( 9.489 4.705 5.485) 11.928 3.066 ( 3.705 0.612 1.555) 4.064 3.199 ( 7.743 -6.941 1.092) 10.456 3.307 ( 3.020 5.015 2.919) 6.541 3.559 ( 1.230 7.147 1.613) 7.429 3.743 ( -0.404 -2.888 -0.027) 2.916 3.873 ( 0.482 2.855 0.611) 2.959 3.901 ( 4.163 5.654 2.958) 7.619 4.210 ( -3.558 -0.393 6.366) 7.304 4.341 ( -2.454 -1.896 10.212) 10.672 4.573 ( 6.447 -1.253 -4.314) 7.858 4.712 ( -0.622 -2.694 3.064) 4.127 4.895 ( 5.170 4.628 -6.681) 9.633 4.982 ( 3.666 2.823 2.026) 5.051 5.314 ( 13.617 5.558 3.397) 15.094 5.525 ( 5.071 3.682 -4.458) 7.691 5.775 ( 11.751 -2.652 2.976) 12.409 5.821 ( 8.174 0.032 0.773) 8.211 6.118 ( 5.056 0.601 1.581) 5.332 6.231 ( 2.405 -8.471 2.835) 9.250 6.342 ( 3.382 -1.757 -1.246) 4.010 6.525 ( 5.769 -5.025 -3.272) 8.321 6.947 ( 6.965 3.712 8.726) 11.766 7.168 ( -6.031 2.750 -7.779) 10.220 7.393 ( -1.411 -0.788 4.555) 4.833 8.060 ( -1.807 -0.386 -1.910) 2.657 8.249 ( 2.609 -0.452 3.574) 4.448 9.115 ( -8.247 -12.724 -0.232) 15.165 9.394 ( -3.349 4.019 -1.601) 5.471 9.613 ( -4.275 11.512 -9.999) 15.836 9.713 ( -0.164 12.761 -4.649) 13.582 9.938 ( 0.300 4.609 -12.589) 13.409 10.040 ( -6.602 -0.456 -6.936) 9.586 10.759 ( -14.134 -2.160 0.007) 14.298 11.013 ( -4.098 1.071 -3.427) 5.448 11.060 ( -6.608 1.857 5.279) 8.659 11.661 ( 1.235 -3.894 -9.806) 10.622 11.707 ( 2.627 -2.158 -7.649) 8.371 11.932 ( 0.132 -3.543 10.290) 10.884 12.167 ( -5.019 -3.081 4.151) 7.205 12.352 ( -17.559 -0.259 11.035) 20.740 12.676 ( -4.285 -1.946 -0.127) 4.708 13.600 ( 14.444 -4.048 3.734) 15.458 13.970 ( 6.802 -2.168 3.445) 7.927 14.017 ( 9.391 2.484 -1.020) 9.768 14.397 ( 18.581 -17.321 -11.977) 28.085 21.008 ( 0.808 2.181 -5.934) 6.374 21.042 ( -6.839 8.725 2.124) 11.288 21.650 ( -1.556 -0.238 2.044) 2.580 21.939 ( -3.498 -5.083 1.842) 6.440 22.063 ( -0.925 5.916 -5.547) 8.162 22.254 ( -4.610 5.124 -3.495) 7.728 22.568 ( 1.200 8.498 4.573) 9.725 22.847 ( 0.828 7.842 -0.638) 7.912 23.353 ( 6.200 1.011 4.021) 7.458 23.437 ( -0.147 -0.600 0.446) 0.762 23.488 ( -0.130 1.645 4.719) 5.000 23.575 ( -2.556 0.904 5.501) 6.133 23.766 ( 1.248 0.596 -4.473) 4.681 23.860 ( -1.947 -1.051 -0.651) 2.306 23.961 ( 8.212 -0.719 -6.427) 10.453 25.218 ( 8.377 -9.108 -2.491) 12.623 ======================= Grid point 12 (9/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 9.192 2.134 4.780) 10.578 1.359 ( 7.982 8.117 3.890) 12.030 1.639 ( 2.785 -2.849 -2.159) 4.531 1.815 ( 3.855 7.155 -2.742) 8.578 2.021 ( 0.667 -3.471 -0.210) 3.541 2.143 ( 1.628 0.525 -3.618) 4.002 2.166 ( 1.399 -1.067 2.231) 2.841 2.331 ( 2.119 0.186 1.091) 2.391 2.435 ( 7.594 -5.723 1.853) 9.688 2.834 ( 8.397 5.486 4.349) 10.933 3.013 ( 0.392 3.946 -3.363) 5.200 3.164 ( 0.912 7.223 0.506) 7.297 3.238 ( 4.348 1.834 0.104) 4.720 3.424 ( 3.961 1.596 1.309) 4.466 3.658 ( -2.638 -2.399 0.970) 3.696 3.738 ( 6.274 -1.092 -0.162) 6.370 3.921 ( 3.263 8.346 1.895) 9.159 4.071 ( 7.613 0.839 5.996) 9.727 4.260 ( 2.107 5.254 7.372) 9.295 4.439 ( -1.314 -4.131 8.876) 9.878 4.616 ( 5.571 -3.059 -5.475) 8.389 4.741 ( -1.361 0.402 5.013) 5.210 4.893 ( 1.569 -2.178 -3.308) 4.260 5.088 ( 5.949 2.991 4.012) 7.774 5.503 ( 4.940 6.281 -1.454) 8.123 5.599 ( 9.380 7.007 -0.162) 11.710 5.911 ( 5.301 0.823 -0.299) 5.373 6.090 ( 13.815 -2.424 0.591) 14.038 6.164 ( 4.725 -6.009 -3.054) 8.232 6.227 ( -0.911 -3.237 -0.324) 3.378 6.427 ( 5.655 0.940 -0.734) 5.779 6.630 ( 3.907 1.179 5.059) 6.500 6.955 ( -8.906 3.911 -5.805) 11.328 7.175 ( 6.015 1.791 10.329) 12.087 7.464 ( 4.110 -2.315 2.613) 5.392 7.982 ( -3.490 2.256 -2.482) 4.840 8.375 ( 3.683 -1.157 8.062) 8.939 8.945 ( -8.097 -9.927 -3.892) 13.389 9.303 ( -5.209 3.557 -1.897) 6.587 9.391 ( -5.556 9.498 -11.276) 15.756 9.680 ( -0.351 7.020 -2.179) 7.359 9.800 ( 1.038 3.189 -10.509) 11.031 9.835 ( -8.824 0.215 -4.347) 9.839 10.550 ( -10.417 -2.253 -0.025) 10.658 10.932 ( 0.595 0.457 -3.571) 3.649 11.045 ( -3.192 0.382 4.045) 5.167 11.504 ( -0.674 -2.615 -11.486) 11.799 11.702 ( 1.471 -3.121 -1.895) 3.937 12.050 ( 0.893 -3.277 6.858) 7.653 12.146 ( -5.011 -3.717 5.574) 8.366 12.267 ( -4.563 2.182 4.868) 7.020 12.575 ( -6.678 -1.362 -1.180) 6.917 13.839 ( 9.406 -2.828 3.302) 10.362 14.098 ( 4.163 -0.389 2.612) 4.930 14.126 ( 6.497 1.727 -3.026) 7.372 14.484 ( 7.857 -8.664 -7.604) 13.950 20.962 ( -0.613 0.671 -2.148) 2.332 21.004 ( -1.169 4.594 1.652) 5.020 21.647 ( -1.526 -0.939 1.696) 2.467 21.858 ( -3.691 0.336 -3.061) 4.807 22.041 ( -0.076 0.699 1.157) 1.354 22.162 ( -1.969 1.200 -3.219) 3.960 22.634 ( 1.155 9.033 2.668) 9.489 22.852 ( 0.500 7.680 -0.484) 7.712 23.449 ( 0.462 -1.277 1.012) 1.694 23.488 ( 4.908 0.574 1.052) 5.052 23.546 ( -0.921 -0.074 5.947) 6.018 23.610 ( -0.024 1.506 3.924) 4.203 23.734 ( 1.015 0.705 -3.775) 3.972 23.825 ( -1.680 2.661 0.730) 3.231 24.007 ( 6.632 -1.874 -6.426) 9.423 25.299 ( 4.250 -6.098 -0.973) 7.497 ======================= Grid point 13 (10/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 5.471 0.461 2.779) 6.154 1.475 ( 3.232 2.845 -0.710) 4.364 1.618 ( -1.694 0.135 -1.055) 2.000 1.878 ( 3.959 7.983 0.007) 8.911 2.011 ( -1.030 -4.901 -0.394) 5.024 2.102 ( -0.679 -0.454 -1.601) 1.798 2.211 ( 0.913 5.138 1.649) 5.473 2.335 ( -1.047 -5.076 -0.324) 5.193 2.541 ( 2.743 -9.450 0.422) 9.849 2.899 ( 0.531 1.827 -0.976) 2.138 2.977 ( -1.646 0.448 -1.289) 2.138 3.215 ( 4.029 17.082 0.810) 17.569 3.332 ( 2.186 4.312 2.816) 5.595 3.460 ( 2.137 0.703 -1.355) 2.626 3.553 ( -5.268 -1.185 -1.939) 5.737 3.841 ( 3.284 -7.119 0.707) 7.871 3.984 ( 1.393 15.018 0.696) 15.099 4.243 ( 3.834 -4.108 4.179) 7.003 4.413 ( 3.648 7.199 4.774) 9.377 4.488 ( -0.575 -5.638 1.409) 5.839 4.626 ( 1.787 -1.011 -2.148) 2.971 4.784 ( -0.066 1.360 2.853) 3.161 4.875 ( -0.219 -3.968 -0.936) 4.082 5.242 ( 4.799 2.422 3.031) 6.171 5.531 ( 1.351 7.170 -1.047) 7.371 5.709 ( 3.583 6.846 -0.699) 7.758 5.952 ( 0.737 0.772 -0.961) 1.436 6.111 ( -0.330 -6.858 -1.984) 7.147 6.258 ( 2.527 -3.375 1.757) 4.568 6.297 ( 5.811 -4.829 -1.135) 7.640 6.505 ( 3.761 7.207 0.251) 8.133 6.695 ( -1.982 8.834 -1.649) 9.203 6.794 ( -3.094 -2.036 1.316) 3.931 7.358 ( 2.714 2.162 5.265) 6.306 7.551 ( 2.903 -5.134 0.370) 5.909 7.911 ( -1.641 3.807 -1.229) 4.324 8.560 ( 4.942 -2.448 9.413) 10.909 8.767 ( -5.905 -7.626 -6.497) 11.629 9.168 ( -4.869 10.472 -2.855) 11.896 9.234 ( -1.235 0.887 -4.131) 4.402 9.645 ( -0.867 4.915 -0.620) 5.029 9.680 ( -4.178 0.845 -2.033) 4.722 9.726 ( 0.485 2.891 -3.626) 4.662 10.431 ( -3.715 -2.036 -0.000) 4.237 10.929 ( 1.608 -0.115 -1.278) 2.057 11.046 ( -0.769 -0.685 1.182) 1.568 11.394 ( -0.666 -1.603 -3.868) 4.240 11.702 ( 0.522 -3.288 -0.781) 3.420 12.118 ( -1.677 -3.105 4.982) 6.105 12.134 ( -0.643 -2.964 0.252) 3.043 12.313 ( 4.516 1.147 1.767) 4.983 12.439 ( -7.212 -0.334 -1.605) 7.396 13.987 ( 3.707 -1.684 2.371) 4.711 14.149 ( 1.005 -1.622 -1.493) 2.423 14.172 ( 2.270 0.753 -0.306) 2.411 14.500 ( 2.043 -3.193 -2.317) 4.443 20.937 ( -0.381 0.493 -0.568) 0.843 21.018 ( 0.168 1.662 0.875) 1.885 21.644 ( -0.639 -1.228 0.671) 1.538 21.780 ( -1.442 2.258 -1.792) 3.223 22.063 ( -0.269 0.656 2.740) 2.830 22.104 ( -0.504 -1.290 -3.076) 3.373 22.669 ( 0.478 9.391 0.844) 9.441 22.852 ( 0.114 7.835 -0.181) 7.838 23.470 ( 0.345 -1.055 0.823) 1.382 23.533 ( 1.103 -1.460 -0.391) 1.871 23.587 ( -0.434 -2.400 2.045) 3.183 23.663 ( 0.390 2.040 3.297) 3.897 23.704 ( 0.540 1.174 -3.407) 3.644 23.831 ( -0.288 7.960 1.938) 8.198 24.021 ( 2.586 -3.968 -3.348) 5.800 25.338 ( 1.358 -4.813 -0.225) 5.006 ======================= Grid point 18 (11/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 20.137 0.000) 20.137 0.985 ( 0.000 21.977 0.000) 21.977 1.593 ( 0.000 16.926 0.000) 16.926 1.719 ( 0.000 9.824 0.000) 9.824 1.800 ( 0.000 -8.128 0.000) 8.128 1.990 ( 0.000 -2.238 0.000) 2.238 2.147 ( 0.000 -5.061 0.000) 5.061 2.336 ( 0.000 5.576 0.000) 5.576 2.393 ( 0.000 5.126 0.000) 5.126 2.445 ( 0.000 4.375 0.000) 4.375 2.685 ( 0.000 0.717 0.000) 0.717 2.767 ( 0.000 3.050 0.000) 3.050 2.783 ( 0.000 -0.262 0.000) 0.262 3.466 ( 0.000 -9.780 0.000) 9.780 3.659 ( 0.000 9.789 0.000) 9.789 3.674 ( 0.000 -8.257 0.000) 8.257 3.821 ( 0.000 -11.850 0.000) 11.850 4.001 ( 0.000 1.665 0.000) 1.665 4.185 ( 0.000 7.875 0.000) 7.875 4.215 ( 0.000 -0.139 0.000) 0.139 4.498 ( 0.000 5.909 0.000) 5.909 4.735 ( 0.000 -0.629 0.000) 0.629 4.777 ( 0.000 -3.226 0.000) 3.226 5.026 ( 0.000 -1.731 0.000) 1.731 5.334 ( 0.000 11.021 0.000) 11.021 5.353 ( 0.000 2.391 0.000) 2.391 5.424 ( 0.000 -2.934 0.000) 2.934 5.786 ( 0.000 7.467 0.000) 7.467 5.826 ( 0.000 -8.460 0.000) 8.460 5.953 ( 0.000 3.437 0.000) 3.437 6.161 ( 0.000 -7.122 0.000) 7.122 6.336 ( 0.000 -7.977 0.000) 7.977 6.778 ( 0.000 10.485 0.000) 10.485 7.283 ( 0.000 -7.177 0.000) 7.177 7.357 ( 0.000 0.115 0.000) 0.115 7.881 ( 0.000 -9.452 0.000) 9.452 8.318 ( 0.000 4.357 0.000) 4.357 8.884 ( 0.000 -14.486 0.000) 14.486 9.627 ( 0.000 9.996 0.000) 9.996 10.032 ( 0.000 6.317 0.000) 6.317 10.227 ( 0.000 6.864 0.000) 6.864 10.229 ( 0.000 1.536 0.000) 1.536 10.639 ( 0.000 7.288 0.000) 7.288 11.026 ( 0.000 -3.749 0.000) 3.749 11.111 ( 0.000 2.327 0.000) 2.327 11.454 ( 0.000 -1.093 0.000) 1.093 11.558 ( 0.000 -3.667 0.000) 3.667 11.689 ( 0.000 5.754 0.000) 5.754 11.806 ( 0.000 -4.329 0.000) 4.329 11.999 ( 0.000 -2.137 0.000) 2.137 12.545 ( 0.000 0.409 0.000) 0.409 12.652 ( 0.000 -3.579 0.000) 3.579 12.996 ( 0.000 1.423 0.000) 1.423 13.201 ( 0.000 -4.600 0.000) 4.600 13.872 ( 0.000 3.298 0.000) 3.298 13.990 ( 0.000 -0.697 0.000) 0.697 21.115 ( 0.000 1.927 0.000) 1.927 21.362 ( 0.000 -4.112 0.000) 4.112 21.669 ( 0.000 1.030 0.000) 1.030 21.808 ( 0.000 -4.443 0.000) 4.443 22.435 ( 0.000 3.206 0.000) 3.206 22.518 ( 0.000 11.608 0.000) 11.608 22.853 ( 0.000 4.407 0.000) 4.407 23.079 ( 0.000 -6.339 0.000) 6.339 23.139 ( 0.000 -1.691 0.000) 1.691 23.415 ( 0.000 -4.265 0.000) 4.265 23.536 ( 0.000 0.058 0.000) 0.058 23.542 ( 0.000 3.001 0.000) 3.001 23.777 ( 0.000 -2.889 0.000) 2.889 23.816 ( 0.000 -5.184 0.000) 5.184 24.082 ( 0.000 13.876 0.000) 13.876 24.638 ( 0.000 -2.640 0.000) 2.640 ======================= Grid point 19 (12/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 5.448 15.164 8.424) 18.182 1.133 ( 15.693 17.264 3.995) 23.670 1.632 ( -1.840 -4.299 -7.367) 8.726 1.743 ( 11.494 20.806 1.628) 23.826 1.794 ( 8.765 -1.462 -2.677) 9.281 2.012 ( -1.777 -0.471 2.658) 3.232 2.149 ( -2.569 0.310 -0.439) 2.625 2.296 ( 3.704 1.881 -7.299) 8.399 2.349 ( -1.907 1.318 -1.125) 2.577 2.535 ( 5.816 2.629 5.313) 8.305 2.737 ( 8.197 -1.112 1.416) 8.392 2.884 ( 8.522 -1.535 4.983) 9.990 2.952 ( 8.320 4.610 8.225) 12.575 3.420 ( -2.576 -1.667 -3.177) 4.417 3.587 ( 0.731 -7.482 -1.544) 7.674 3.712 ( 1.010 -0.453 -0.964) 1.468 3.878 ( 5.829 -0.842 -4.363) 7.329 4.054 ( -7.718 6.185 1.681) 10.033 4.094 ( -0.088 0.916 9.703) 9.746 4.253 ( -0.895 3.874 4.312) 5.866 4.551 ( -0.678 -0.058 3.708) 3.770 4.629 ( -1.249 -3.466 0.046) 3.685 4.911 ( 7.155 1.225 -0.276) 7.264 5.061 ( 8.285 -0.015 -8.919) 12.173 5.230 ( 0.297 11.707 5.311) 12.859 5.494 ( 6.015 -0.457 2.041) 6.368 5.574 ( 11.021 0.630 -3.165) 11.484 5.750 ( 4.750 3.703 1.822) 6.293 5.961 ( 3.053 -0.523 -0.289) 3.111 5.994 ( 4.950 -2.384 5.873) 8.042 6.224 ( 5.164 -8.712 2.641) 10.466 6.320 ( -1.190 -6.468 -0.151) 6.579 6.861 ( 5.306 7.297 4.282) 9.986 7.256 ( -1.030 -6.169 -2.887) 6.888 7.376 ( 0.354 1.472 2.080) 2.573 7.926 ( 4.782 -8.891 -0.061) 10.095 8.293 ( -2.561 4.713 0.409) 5.380 8.887 ( -3.392 -14.556 4.273) 15.545 9.598 ( -2.784 9.346 -0.937) 9.797 9.970 ( -4.301 6.310 -3.800) 8.530 10.141 ( -2.605 7.038 -7.463) 10.584 10.194 ( -3.041 2.453 -3.819) 5.463 10.380 ( -8.524 14.434 -18.543) 24.997 10.918 ( -10.818 -4.369 -1.212) 11.729 11.102 ( -4.005 2.973 3.671) 6.194 11.315 ( -6.343 6.722 -11.853) 15.030 11.537 ( 3.365 -6.975 0.831) 7.789 11.742 ( -0.730 -1.211 1.695) 2.208 11.762 ( -4.913 -4.013 5.165) 8.180 12.082 ( -3.661 -7.049 6.640) 10.353 12.487 ( -11.619 -0.964 5.578) 12.925 12.656 ( -2.007 -3.848 1.577) 4.617 13.183 ( 20.138 -0.303 2.978) 20.359 13.471 ( 21.899 -8.778 4.362) 23.993 13.933 ( 7.058 2.978 -0.317) 7.667 14.041 ( 9.073 -1.689 -4.517) 10.275 21.091 ( -1.176 1.963 -2.053) 3.074 21.293 ( -5.504 -1.220 -2.445) 6.145 21.661 ( -1.280 0.607 0.465) 1.491 21.817 ( -0.240 -5.145 1.244) 5.299 22.337 ( -0.045 6.276 -10.690) 12.396 22.527 ( -4.679 4.191 -2.006) 6.594 22.765 ( -6.022 10.000 1.579) 11.780 23.013 ( 0.571 3.614 -3.618) 5.146 23.206 ( 4.373 -1.509 3.642) 5.888 23.451 ( -6.452 -2.977 11.912) 13.870 23.503 ( -1.983 3.818 0.407) 4.321 23.562 ( 1.533 1.095 -0.381) 1.922 23.771 ( -1.043 -4.682 -1.725) 5.097 23.796 ( 2.543 -3.647 -3.562) 5.696 24.056 ( 2.236 13.444 -3.314) 14.026 24.806 ( 12.326 -9.839 2.036) 15.903 ======================= Grid point 20 (13/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.206 7.753 3.630) 10.019 1.401 ( 7.378 12.401 4.825) 15.215 1.547 ( 3.962 -3.821 -5.704) 7.927 1.883 ( 3.723 0.834 -2.549) 4.589 2.000 ( 11.956 1.341 -2.387) 12.266 2.025 ( 1.596 4.999 1.529) 5.466 2.111 ( 5.347 2.316 -3.977) 7.055 2.278 ( 0.833 -1.000 -2.174) 2.534 2.367 ( 1.662 1.513 3.392) 4.069 2.716 ( 7.362 3.953 6.774) 10.757 2.936 ( 8.853 -7.728 1.805) 11.889 3.096 ( 11.053 -0.801 1.703) 11.212 3.195 ( 10.200 7.224 5.197) 13.537 3.361 ( -1.687 2.313 0.768) 2.964 3.630 ( 4.982 -7.251 -1.725) 8.965 3.711 ( 0.035 3.628 1.067) 3.781 3.900 ( 2.507 1.489 -0.391) 2.942 4.005 ( -0.107 3.619 1.478) 3.911 4.224 ( 2.231 1.699 6.723) 7.285 4.307 ( -2.371 2.393 9.051) 9.657 4.551 ( 1.198 -2.756 0.130) 3.008 4.671 ( 2.048 -2.823 1.160) 3.675 5.000 ( 2.277 3.669 -0.608) 4.361 5.031 ( 4.385 4.159 -5.907) 8.451 5.470 ( 13.530 9.196 6.972) 17.783 5.602 ( 4.649 3.160 -0.819) 5.680 5.749 ( 14.226 0.708 0.502) 14.252 5.874 ( 9.543 5.522 -0.346) 11.031 6.012 ( 1.688 -7.493 -1.148) 7.766 6.158 ( 2.935 -2.043 5.495) 6.556 6.327 ( 3.857 -0.030 4.029) 5.578 6.377 ( 7.545 -8.366 3.350) 11.753 7.009 ( 3.793 1.599 6.173) 7.419 7.181 ( -1.722 -2.661 -5.376) 6.241 7.411 ( 0.917 4.391 1.975) 4.901 7.997 ( 2.848 -6.410 -0.352) 7.023 8.280 ( -0.976 4.116 3.841) 5.714 8.852 ( -6.172 -12.995 2.348) 14.576 9.512 ( -5.914 7.413 -1.283) 9.569 9.809 ( -7.343 6.425 -6.891) 11.945 9.986 ( -3.836 10.738 -7.620) 13.715 10.024 ( -4.472 2.168 -11.919) 12.914 10.099 ( -3.172 10.438 -11.013) 15.501 10.686 ( -13.253 -5.239 -2.056) 14.398 11.056 ( -4.073 3.255 -2.794) 5.916 11.111 ( -7.122 3.184 0.323) 7.808 11.563 ( 0.826 -5.479 -6.060) 8.212 11.631 ( 3.414 -5.593 -11.470) 13.210 11.863 ( -1.316 -2.345 11.983) 12.281 12.070 ( -7.795 -6.148 9.305) 13.607 12.370 ( -9.267 2.163 4.931) 10.717 12.617 ( -3.959 -3.858 0.102) 5.529 13.538 ( 16.046 -1.240 3.798) 16.536 13.855 ( 14.307 -8.947 4.908) 17.574 14.068 ( 9.241 2.199 -1.595) 9.632 14.163 ( 13.639 -5.096 -6.235) 15.839 21.037 ( -1.563 1.953 -2.551) 3.573 21.165 ( -5.625 2.208 -1.880) 6.328 21.642 ( -1.875 -0.256 0.888) 2.090 21.818 ( -1.457 -6.128 0.873) 6.359 22.208 ( -0.283 7.327 -8.885) 11.520 22.351 ( -5.590 3.878 -6.201) 9.206 22.782 ( -1.411 11.823 6.728) 13.677 23.013 ( 3.027 7.069 -2.439) 8.067 23.338 ( 3.277 -1.699 4.910) 6.143 23.468 ( -1.046 2.511 3.390) 4.346 23.510 ( -3.409 -0.107 6.555) 7.389 23.590 ( 2.074 1.386 0.351) 2.519 23.732 ( -0.164 -3.988 -2.061) 4.493 23.798 ( 1.804 -4.846 -2.421) 5.709 24.082 ( 5.356 13.032 -3.707) 14.570 25.000 ( 8.959 -12.234 0.664) 15.178 ======================= Grid point 21 (14/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 6.935 2.281 1.762) 7.510 1.486 ( 3.015 0.627 -1.721) 3.528 1.618 ( 5.166 3.838 0.428) 6.450 1.879 ( 0.736 -0.771 -1.289) 1.672 2.042 ( 1.553 1.706 -2.243) 3.218 2.077 ( 2.339 -2.992 0.577) 3.842 2.169 ( 2.921 2.122 -5.117) 6.263 2.337 ( 8.055 -0.344 0.021) 8.062 2.411 ( -2.117 2.457 2.870) 4.331 2.875 ( 2.773 -2.215 1.696) 3.933 3.014 ( 1.153 -2.212 -0.551) 2.555 3.296 ( 9.874 4.580 2.685) 11.211 3.361 ( 0.367 -3.102 2.736) 4.153 3.404 ( 5.943 10.288 3.505) 12.388 3.640 ( -1.310 -0.412 -2.976) 3.277 3.746 ( 3.580 -0.010 -1.354) 3.827 3.983 ( 4.018 -2.243 4.489) 6.428 4.053 ( 4.007 -3.249 -0.536) 5.187 4.368 ( 4.571 4.528 6.203) 8.937 4.399 ( 1.824 1.996 7.652) 8.115 4.600 ( 4.103 0.769 0.036) 4.175 4.732 ( 2.106 -1.924 3.377) 4.420 4.967 ( 0.854 10.176 -3.830) 10.906 5.125 ( 4.801 1.337 4.833) 6.942 5.625 ( 1.342 3.312 -0.339) 3.589 5.736 ( 9.216 6.011 1.131) 11.061 5.957 ( 8.418 2.261 -2.039) 8.952 6.012 ( -0.323 -5.187 1.826) 5.509 6.090 ( 16.279 3.237 -1.686) 16.683 6.180 ( -1.262 -1.248 1.588) 2.381 6.480 ( 8.145 2.309 1.749) 8.645 6.584 ( 5.649 -3.747 8.277) 10.699 7.027 ( -3.952 1.345 -5.090) 6.583 7.190 ( 4.910 -2.845 5.942) 8.216 7.456 ( 1.525 4.508 1.530) 4.999 7.995 ( -1.366 -2.170 -1.114) 2.796 8.368 ( 2.581 1.226 7.301) 7.840 8.751 ( -6.461 -9.254 -0.794) 11.315 9.380 ( -7.398 4.528 -1.822) 8.863 9.563 ( -9.141 5.557 -9.005) 13.983 9.823 ( -5.970 4.613 -5.184) 9.154 9.867 ( -0.257 5.672 -7.566) 9.460 9.928 ( -2.375 9.203 -9.077) 13.143 10.474 ( -9.178 -5.425 -1.321) 10.743 10.955 ( -1.256 1.853 -3.112) 3.833 11.053 ( -3.320 0.394 1.185) 3.547 11.439 ( -0.694 -3.294 -8.561) 9.199 11.612 ( 2.167 -5.804 -3.205) 6.975 11.981 ( -0.156 -2.900 8.423) 8.910 12.068 ( -4.124 -4.085 6.036) 8.374 12.313 ( -3.034 2.661 2.469) 4.731 12.531 ( -5.315 -3.037 -1.268) 6.252 13.799 ( 9.969 -0.681 3.720) 10.662 14.053 ( 5.555 -4.882 1.753) 7.600 14.158 ( 6.569 1.679 -4.487) 8.131 14.322 ( 10.055 -5.912 -1.700) 11.787 20.986 ( -1.234 1.812 -1.706) 2.778 21.080 ( -2.960 2.132 -0.412) 3.671 21.624 ( -1.612 -0.970 0.950) 2.108 21.791 ( -1.857 -5.717 -0.422) 6.025 22.122 ( -0.569 6.455 -3.967) 7.598 22.223 ( -1.942 3.567 -4.738) 6.240 22.840 ( -0.256 10.813 4.330) 11.650 23.037 ( 2.778 9.402 -1.873) 9.981 23.399 ( -0.955 -2.674 3.853) 4.787 23.511 ( 3.300 0.438 -2.865) 4.392 23.528 ( -3.786 -1.163 5.926) 7.127 23.643 ( 1.859 1.667 2.252) 3.363 23.723 ( 0.680 -1.450 -0.517) 1.683 23.812 ( 2.183 -5.992 0.547) 6.400 24.121 ( 4.660 14.718 -3.986) 15.945 25.124 ( 5.386 -11.287 0.391) 12.513 ======================= Grid point 22 (15/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.429 0.090 2.492) 5.083 1.498 ( 1.156 -0.966 -2.544) 2.957 1.664 ( 0.888 3.722 -0.363) 3.844 1.907 ( 2.373 -0.765 0.750) 2.604 2.006 ( -2.023 -3.467 -1.562) 4.307 2.112 ( -0.111 0.425 -0.350) 0.561 2.175 ( 4.239 0.607 -1.112) 4.425 2.362 ( -3.263 -0.656 -0.252) 3.338 2.448 ( 2.418 3.607 0.832) 4.421 2.883 ( -0.189 -5.185 -0.900) 5.266 3.006 ( -0.567 3.635 -0.209) 3.685 3.383 ( 0.546 -8.228 0.553) 8.264 3.437 ( 0.460 6.852 6.385) 9.377 3.516 ( 3.427 7.664 -4.552) 9.550 3.558 ( -0.801 5.218 -0.585) 5.312 3.787 ( 2.011 0.159 -0.209) 2.028 4.079 ( 1.377 -6.690 0.060) 6.831 4.104 ( 2.273 -8.986 1.918) 9.465 4.456 ( 0.686 3.475 2.564) 4.372 4.544 ( 4.327 4.087 2.071) 6.302 4.666 ( 2.429 5.852 0.582) 6.363 4.801 ( 0.461 -1.166 2.987) 3.239 4.945 ( 0.509 12.689 -1.634) 12.804 5.272 ( 3.880 0.875 4.171) 5.764 5.640 ( 0.450 2.132 0.219) 2.190 5.802 ( 1.804 -1.541 -2.157) 3.206 5.985 ( 0.656 2.193 -2.429) 3.338 6.046 ( 0.338 3.809 1.747) 4.204 6.193 ( 1.046 -3.312 0.349) 3.491 6.280 ( 6.342 5.584 -0.533) 8.467 6.633 ( 7.516 1.085 1.472) 7.735 6.706 ( -0.740 -1.109 3.829) 4.054 6.896 ( -3.584 7.850 -3.491) 9.309 7.352 ( 4.570 -8.574 4.450) 10.686 7.476 ( -0.276 4.172 -0.544) 4.217 7.956 ( -1.238 -0.499 -0.538) 1.439 8.513 ( 3.479 -1.534 7.058) 8.017 8.639 ( -4.138 -5.121 -3.346) 7.385 9.251 ( -4.210 1.864 -1.291) 4.782 9.350 ( -4.318 5.143 -4.842) 8.279 9.703 ( -2.402 4.220 -2.131) 5.302 9.798 ( -0.162 4.144 -2.831) 5.022 9.820 ( -1.172 10.007 -3.160) 10.560 10.360 ( -3.183 -5.132 -0.384) 6.051 10.933 ( 0.516 0.570 -0.649) 1.006 11.022 ( -0.939 -1.635 -0.204) 1.896 11.362 ( -0.323 -1.003 -2.558) 2.767 11.607 ( 0.729 -5.935 -1.257) 6.111 12.054 ( -1.437 -2.832 5.318) 6.194 12.073 ( 0.023 -2.874 -0.066) 2.875 12.333 ( 2.480 0.964 1.496) 3.052 12.423 ( -5.175 -1.328 -1.678) 5.600 13.958 ( 3.936 -0.866 3.001) 5.025 14.094 ( 0.936 -3.763 -2.395) 4.558 14.199 ( 2.389 2.063 -0.955) 3.298 14.423 ( 3.216 -4.286 -0.114) 5.360 20.958 ( -0.462 1.679 -0.556) 1.828 21.049 ( -0.796 1.008 0.082) 1.288 21.614 ( -0.634 -1.306 0.442) 1.518 21.760 ( -0.787 -4.439 -0.548) 4.542 22.086 ( -0.520 4.618 -0.740) 4.706 22.165 ( -0.193 3.692 -2.008) 4.208 22.874 ( 0.017 10.488 1.480) 10.592 23.053 ( 1.079 10.915 -0.753) 10.994 23.435 ( -0.329 -2.462 3.650) 4.415 23.493 ( 0.945 -3.310 -4.275) 5.489 23.534 ( -1.605 -1.504 2.324) 3.200 23.688 ( 0.152 0.899 2.671) 2.822 23.717 ( 0.784 0.257 -2.649) 2.775 23.878 ( 1.584 -7.364 2.555) 7.954 24.133 ( 1.709 18.143 -2.336) 18.373 25.188 ( 1.841 -10.357 0.166) 10.521 ======================= Grid point 27 (16/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 18.559 0.000) 18.559 1.363 ( 0.000 15.196 0.000) 15.196 1.540 ( 0.000 -12.358 0.000) 12.358 1.590 ( 0.000 -9.121 0.000) 9.121 1.964 ( 0.000 0.063 0.000) 0.063 1.990 ( 0.000 -0.460 0.000) 0.460 2.175 ( 0.000 12.104 0.000) 12.104 2.349 ( 0.000 -4.052 0.000) 4.052 2.482 ( 0.000 3.615 0.000) 3.615 2.514 ( 0.000 1.341 0.000) 1.341 2.694 ( 0.000 -0.219 0.000) 0.219 2.703 ( 0.000 -2.275 0.000) 2.275 2.983 ( 0.000 12.922 0.000) 12.922 3.250 ( 0.000 -12.456 0.000) 12.456 3.507 ( 0.000 -4.574 0.000) 4.574 3.544 ( 0.000 -7.499 0.000) 7.499 3.898 ( 0.000 6.934 0.000) 6.934 3.995 ( 0.000 -2.643 0.000) 2.643 4.303 ( 0.000 7.302 0.000) 7.302 4.375 ( 0.000 5.385 0.000) 5.385 4.601 ( 0.000 3.658 0.000) 3.658 4.698 ( 0.000 -4.765 0.000) 4.765 4.716 ( 0.000 3.857 0.000) 3.857 4.899 ( 0.000 -10.298 0.000) 10.298 5.426 ( 0.000 4.326 0.000) 4.326 5.429 ( 0.000 4.065 0.000) 4.065 5.487 ( 0.000 2.553 0.000) 2.553 5.617 ( 0.000 -10.783 0.000) 10.783 5.928 ( 0.000 6.805 0.000) 6.805 6.052 ( 0.000 6.240 0.000) 6.240 6.053 ( 0.000 -5.180 0.000) 5.180 6.179 ( 0.000 -6.958 0.000) 6.958 6.964 ( 0.000 7.764 0.000) 7.764 7.121 ( 0.000 -8.400 0.000) 8.400 7.442 ( 0.000 8.692 0.000) 8.692 7.662 ( 0.000 -11.896 0.000) 11.896 8.432 ( 0.000 7.468 0.000) 7.468 8.622 ( 0.000 -11.439 0.000) 11.439 9.843 ( 0.000 10.701 0.000) 10.701 10.019 ( 0.000 -6.073 0.000) 6.073 10.308 ( 0.000 4.223 0.000) 4.223 10.331 ( 0.000 2.449 0.000) 2.449 10.781 ( 0.000 6.917 0.000) 6.917 10.919 ( 0.000 -6.593 0.000) 6.593 11.196 ( 0.000 6.312 0.000) 6.312 11.346 ( 0.000 -7.861 0.000) 7.861 11.585 ( 0.000 4.778 0.000) 4.778 11.696 ( 0.000 -5.619 0.000) 5.619 11.820 ( 0.000 6.236 0.000) 6.236 11.933 ( 0.000 -4.600 0.000) 4.600 12.556 ( 0.000 0.887 0.000) 0.887 12.588 ( 0.000 -2.460 0.000) 2.460 13.039 ( 0.000 2.925 0.000) 2.925 13.111 ( 0.000 -4.195 0.000) 4.195 13.931 ( 0.000 2.450 0.000) 2.450 13.969 ( 0.000 -1.441 0.000) 1.441 21.175 ( 0.000 4.024 0.000) 4.024 21.268 ( 0.000 -4.987 0.000) 4.987 21.692 ( 0.000 1.432 0.000) 1.432 21.734 ( 0.000 -2.895 0.000) 2.895 22.532 ( 0.000 6.035 0.000) 6.035 22.634 ( 0.000 -1.881 0.000) 1.881 22.977 ( 0.000 8.990 0.000) 8.990 23.050 ( 0.000 3.657 0.000) 3.657 23.090 ( 0.000 -3.272 0.000) 3.272 23.236 ( 0.000 -11.459 0.000) 11.459 23.593 ( 0.000 3.380 0.000) 3.380 23.603 ( 0.000 2.582 0.000) 2.582 23.713 ( 0.000 -2.905 0.000) 2.905 23.722 ( 0.000 -3.770 0.000) 3.770 24.345 ( 0.000 11.837 0.000) 11.837 24.539 ( 0.000 -7.389 0.000) 7.389 ======================= Grid point 28 (17/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 1.698 12.384 1.466) 12.586 1.445 ( 10.499 11.787 0.697) 15.800 1.510 ( -1.180 -6.751 -4.929) 8.442 1.659 ( 10.909 -8.044 0.249) 13.557 2.006 ( 0.284 3.323 4.732) 5.789 2.082 ( 5.565 -2.618 1.047) 6.238 2.161 ( 1.521 10.214 -2.556) 10.638 2.301 ( 2.141 -3.126 -7.698) 8.580 2.409 ( -2.638 5.762 -3.283) 7.137 2.532 ( 3.059 -4.664 0.324) 5.587 2.736 ( 5.760 2.521 1.619) 6.492 2.814 ( 7.503 -4.370 4.319) 9.698 3.109 ( 7.886 9.298 6.060) 13.614 3.306 ( 2.018 -9.486 5.932) 11.369 3.484 ( 3.646 1.141 -5.426) 6.636 3.591 ( 6.807 -7.984 -3.743) 11.139 3.961 ( 1.332 5.258 3.529) 6.472 4.044 ( -0.254 -2.931 4.639) 5.493 4.260 ( -4.357 10.267 1.889) 11.312 4.405 ( 0.539 6.991 3.211) 7.711 4.480 ( -8.757 -6.120 -0.687) 10.705 4.562 ( -3.823 -2.882 3.624) 6.005 4.922 ( 10.198 1.319 -1.013) 10.332 4.996 ( 10.258 -5.051 -2.925) 11.802 5.430 ( 4.919 8.564 1.622) 10.008 5.534 ( 7.034 1.326 2.770) 7.675 5.600 ( 11.061 1.755 -1.616) 11.315 5.707 ( 9.523 -7.337 0.074) 12.022 5.974 ( 2.556 2.493 3.164) 4.770 6.017 ( 3.076 1.876 -4.378) 5.669 6.119 ( -0.935 -0.555 8.976) 9.042 6.196 ( -1.350 -5.343 5.591) 7.851 6.985 ( 0.978 5.243 1.507) 5.542 7.110 ( -0.368 -7.524 -1.221) 7.631 7.487 ( 4.468 9.620 0.703) 10.630 7.714 ( 5.359 -11.794 0.351) 12.959 8.420 ( -2.810 8.180 2.190) 8.922 8.621 ( -2.893 -11.831 3.531) 12.681 9.800 ( -4.055 10.026 -1.506) 10.919 9.966 ( -4.505 -5.635 -2.450) 7.619 10.246 ( -0.666 4.298 -8.617) 9.653 10.272 ( -2.089 2.269 -6.220) 6.943 10.622 ( -10.390 10.049 -7.987) 16.515 10.798 ( -10.721 -7.563 -3.192) 13.503 11.197 ( -2.059 6.529 1.645) 7.041 11.344 ( -3.366 -6.804 -1.444) 7.727 11.497 ( 3.143 6.051 -12.458) 14.202 11.635 ( 1.941 -6.722 -12.435) 14.269 11.799 ( -9.274 5.064 14.060) 17.588 11.932 ( -7.602 -7.569 9.376) 14.247 12.506 ( -6.425 2.486 2.806) 7.439 12.574 ( -3.447 -4.033 2.045) 5.686 13.224 ( 17.188 3.915 3.404) 17.954 13.326 ( 17.670 -6.127 4.222) 19.173 13.983 ( 7.056 2.025 -1.558) 7.504 14.015 ( 7.272 -1.255 -2.940) 7.944 21.149 ( -1.824 3.790 -1.457) 4.451 21.233 ( -2.993 -4.135 -1.341) 5.277 21.680 ( -1.114 1.560 -0.234) 1.931 21.730 ( -0.643 -3.440 0.031) 3.499 22.458 ( -0.888 5.758 -8.611) 10.397 22.547 ( -3.759 -2.368 -7.300) 8.545 22.975 ( -2.692 9.442 4.341) 10.735 23.050 ( 1.843 0.604 -0.682) 2.055 23.189 ( 5.140 1.062 5.461) 7.574 23.312 ( -0.659 -9.195 10.636) 14.075 23.577 ( -2.408 3.414 0.822) 4.258 23.609 ( 2.130 1.816 -2.297) 3.621 23.689 ( -2.441 -2.391 0.056) 3.417 23.720 ( 2.307 -3.695 -3.462) 5.564 24.349 ( 2.366 14.330 -1.238) 14.576 24.604 ( 6.141 -11.102 0.731) 12.708 ======================= Grid point 29 (18/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 2.249 6.016 -2.118) 6.763 1.422 ( 1.113 -5.415 -4.380) 7.053 1.656 ( 7.409 9.461 1.381) 12.096 1.807 ( 4.688 -5.967 0.016) 7.588 2.034 ( 0.524 3.835 -0.923) 3.979 2.116 ( -0.684 -2.350 -0.735) 2.556 2.205 ( 10.321 6.735 -7.354) 14.351 2.263 ( 4.574 -0.768 -5.898) 7.503 2.413 ( 0.680 5.752 4.856) 7.558 2.619 ( 3.748 -12.079 2.947) 12.985 2.913 ( 9.569 5.081 4.334) 11.669 3.029 ( 11.142 -5.880 2.972) 12.944 3.315 ( 10.153 5.976 1.469) 11.872 3.428 ( 3.576 -2.585 5.203) 6.822 3.528 ( 5.938 3.476 -0.282) 6.886 3.661 ( 3.236 -6.441 1.109) 7.293 3.970 ( -0.748 3.880 -1.234) 4.139 4.025 ( -2.331 -1.352 -1.212) 2.955 4.300 ( 2.034 5.657 5.865) 8.399 4.391 ( -3.212 0.606 3.572) 4.842 4.495 ( 2.593 0.710 5.477) 6.101 4.590 ( 1.732 -5.099 2.741) 6.043 5.042 ( 6.050 2.773 0.411) 6.668 5.093 ( 5.971 -0.487 -2.415) 6.459 5.629 ( 9.185 5.921 3.242) 11.399 5.676 ( 6.126 4.022 1.465) 7.473 5.793 ( 16.199 1.904 -1.635) 16.392 5.835 ( 6.358 -5.314 -1.265) 8.382 6.043 ( 6.254 3.488 -0.576) 7.183 6.081 ( 1.869 -3.939 4.212) 6.062 6.265 ( 5.550 0.320 8.840) 10.443 6.325 ( 6.329 -1.616 9.118) 11.216 7.017 ( 0.373 0.537 1.391) 1.537 7.080 ( -0.075 -5.605 -3.059) 6.386 7.581 ( 4.488 11.346 1.321) 12.273 7.815 ( 5.019 -11.168 0.783) 12.269 8.409 ( -2.742 8.446 4.046) 9.758 8.608 ( -4.239 -11.261 3.757) 12.606 9.674 ( -8.314 8.222 -2.203) 11.899 9.813 ( -9.244 -4.847 -3.907) 11.145 10.095 ( -1.595 4.599 -11.894) 12.852 10.126 ( -3.945 2.410 -8.763) 9.908 10.343 ( -8.717 11.722 -8.915) 17.114 10.547 ( -11.952 -8.630 -4.677) 15.467 11.140 ( -4.681 4.426 -3.504) 7.333 11.172 ( -7.426 1.860 -4.122) 8.695 11.469 ( 2.103 -2.787 -5.311) 6.355 11.503 ( 3.044 -5.789 -10.944) 12.749 11.862 ( -3.329 2.260 11.769) 12.438 11.945 ( -5.978 -5.689 11.036) 13.780 12.435 ( -5.553 4.179 1.972) 7.224 12.528 ( -4.173 -4.830 0.683) 6.420 13.564 ( 16.038 3.730 4.165) 16.984 13.679 ( 16.085 -7.630 4.624) 18.394 14.100 ( 9.190 1.116 -2.667) 9.635 14.118 ( 9.761 -0.909 -3.470) 10.399 21.090 ( -2.496 3.255 -1.782) 4.472 21.154 ( -3.876 -2.542 -1.496) 4.870 21.653 ( -1.657 1.608 -0.222) 2.320 21.712 ( -1.297 -4.219 -0.328) 4.426 22.334 ( -0.817 4.841 -8.316) 9.658 22.389 ( -3.390 -0.401 -7.290) 8.050 22.998 ( -1.276 8.574 4.581) 9.805 23.089 ( 3.391 -0.163 -0.355) 3.413 23.339 ( 2.657 2.923 6.372) 7.497 23.438 ( 0.871 -5.011 8.808) 10.171 23.538 ( -2.594 2.589 0.230) 3.672 23.601 ( -0.938 -3.055 -0.782) 3.290 23.664 ( 0.607 0.857 -0.603) 1.211 23.716 ( 2.547 -3.306 -3.571) 5.493 24.402 ( 5.222 17.228 -0.828) 18.021 24.729 ( 7.272 -15.017 0.737) 16.701 ======================= Grid point 30 (19/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.478 2.959 -0.980) 6.303 1.425 ( 3.971 -4.150 -2.572) 6.294 1.731 ( 1.529 5.253 -0.235) 5.476 1.834 ( -0.036 -4.791 0.362) 4.804 2.017 ( 1.332 3.785 -3.367) 5.238 2.097 ( 0.890 -1.690 -1.258) 2.287 2.238 ( 3.576 3.846 -5.333) 7.485 2.311 ( 4.089 -2.945 -2.954) 5.841 2.501 ( 2.450 7.559 4.685) 9.224 2.701 ( 2.612 -11.362 1.029) 11.703 3.071 ( 3.586 4.969 2.153) 6.495 3.182 ( 3.488 -6.733 1.464) 7.723 3.477 ( 5.425 5.789 3.792) 8.794 3.556 ( 3.819 2.168 5.143) 6.763 3.610 ( 2.668 0.905 -1.036) 3.002 3.703 ( 3.224 -4.295 -2.035) 5.744 3.956 ( 0.446 0.535 -0.246) 0.739 3.987 ( 0.240 -2.315 -2.311) 3.280 4.428 ( 3.824 1.539 3.005) 5.101 4.437 ( 5.760 0.713 3.572) 6.815 4.637 ( 5.148 2.710 6.252) 8.540 4.690 ( 3.822 -2.310 5.487) 7.075 5.146 ( 4.503 4.866 1.341) 6.764 5.175 ( 5.079 2.798 2.159) 6.187 5.646 ( -1.964 1.700 -0.461) 2.638 5.740 ( -0.405 -5.714 -2.871) 6.408 5.977 ( 7.264 4.624 1.726) 8.782 6.063 ( 13.514 0.581 0.495) 13.536 6.112 ( 2.150 3.426 1.792) 4.424 6.234 ( 10.193 -0.468 3.215) 10.698 6.467 ( 7.105 3.301 4.502) 9.035 6.570 ( 8.486 -1.525 7.694) 11.556 7.016 ( -0.284 -0.915 -1.909) 2.136 7.064 ( 2.321 -6.516 -0.429) 6.931 7.645 ( 0.834 12.019 1.522) 12.143 7.873 ( 0.713 -9.613 0.417) 9.648 8.441 ( -0.104 5.742 5.011) 7.622 8.579 ( -3.398 -7.852 2.409) 8.888 9.483 ( -10.321 5.456 -2.975) 12.047 9.576 ( -11.644 -3.159 -4.985) 13.054 9.926 ( -2.336 4.714 -9.236) 10.629 9.957 ( -2.660 1.998 -8.228) 8.875 10.140 ( -4.329 10.615 -6.668) 13.262 10.333 ( -7.316 -8.494 -3.416) 11.719 11.004 ( -3.344 2.864 -3.453) 5.595 11.050 ( -4.087 -1.201 -2.389) 4.884 11.406 ( 0.877 0.983 -4.936) 5.108 11.485 ( 2.237 -6.105 -3.471) 7.370 11.954 ( -0.920 0.344 8.099) 8.158 11.992 ( -2.316 -3.172 6.974) 8.004 12.378 ( -2.999 3.777 0.476) 4.846 12.458 ( -3.930 -4.073 -0.783) 5.714 13.824 ( 9.725 3.301 3.191) 10.754 13.926 ( 8.414 -6.508 1.981) 10.820 14.198 ( 6.930 2.209 -2.891) 7.827 14.245 ( 8.187 -2.641 -1.119) 8.675 21.034 ( -1.933 2.759 -1.199) 3.576 21.082 ( -2.768 -1.618 -0.839) 3.314 21.625 ( -1.390 1.372 -0.062) 1.955 21.684 ( -1.243 -4.393 -0.556) 4.599 22.237 ( -0.742 4.132 -5.109) 6.613 22.272 ( -1.493 0.697 -5.036) 5.299 23.039 ( -0.143 8.475 3.603) 9.210 23.146 ( 3.394 -0.711 0.212) 3.475 23.402 ( -0.448 4.451 1.140) 4.617 23.485 ( -0.411 -2.353 -2.192) 3.241 23.529 ( -2.080 1.335 3.913) 4.628 23.628 ( 1.354 -7.749 5.718) 9.725 23.681 ( 1.453 1.531 0.022) 2.111 23.715 ( 2.030 -1.911 -2.699) 3.881 24.482 ( 4.917 19.408 -0.465) 20.026 24.847 ( 5.584 -16.349 0.651) 17.288 ======================= Grid point 31 (20/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 3.678 0.872 1.007) 3.911 1.465 ( 2.510 -1.731 -1.164) 3.264 1.725 ( -0.294 3.210 -0.887) 3.343 1.830 ( -0.607 -7.279 -0.218) 7.308 2.011 ( 0.894 6.894 -0.769) 6.994 2.118 ( 1.316 -1.977 0.434) 2.414 2.225 ( 1.412 2.730 -2.290) 3.833 2.295 ( -1.022 -3.967 -1.789) 4.470 2.575 ( 1.174 6.939 1.510) 7.198 2.727 ( 0.415 -8.463 -0.156) 8.474 3.107 ( 0.066 5.004 0.401) 5.021 3.215 ( 0.060 -6.967 0.677) 7.000 3.551 ( -1.409 4.287 3.764) 5.876 3.587 ( -0.764 1.671 -2.147) 2.826 3.662 ( 3.821 3.361 0.407) 5.105 3.757 ( 3.759 -4.706 -0.667) 6.060 3.963 ( -0.052 -2.976 0.335) 2.995 3.967 ( -0.276 -2.596 -0.751) 2.717 4.515 ( 2.714 2.937 1.203) 4.176 4.568 ( 4.161 -1.577 1.002) 4.561 4.775 ( 3.450 3.761 2.545) 5.703 4.802 ( 1.452 0.604 3.443) 3.785 5.208 ( 1.738 9.945 0.266) 10.099 5.290 ( 3.110 0.396 2.777) 4.189 5.625 ( -0.680 -1.185 0.983) 1.683 5.687 ( -1.226 -6.728 -1.655) 7.036 6.048 ( 1.975 3.931 -1.205) 4.561 6.119 ( 0.655 -2.421 -0.568) 2.572 6.233 ( 2.877 9.747 1.532) 10.277 6.410 ( 5.390 -2.808 1.368) 6.229 6.578 ( 2.443 6.816 0.790) 7.284 6.743 ( 3.683 -2.093 2.902) 5.135 7.001 ( 0.823 3.383 -1.101) 3.652 7.123 ( 2.704 -10.738 0.839) 11.105 7.651 ( -0.916 11.247 0.553) 11.297 7.864 ( -1.054 -8.585 -0.065) 8.650 8.513 ( 1.410 1.432 3.840) 4.334 8.559 ( -1.535 -3.041 0.316) 3.421 9.305 ( -5.254 3.338 -2.256) 6.621 9.367 ( -5.524 -2.195 -3.039) 6.676 9.817 ( -1.062 5.151 -3.205) 6.159 9.858 ( -0.577 1.118 -3.260) 3.494 10.034 ( -1.628 10.554 -2.403) 10.946 10.225 ( -2.426 -8.319 -1.178) 8.746 10.951 ( -0.682 1.201 -0.585) 1.500 10.984 ( -1.227 -2.023 -1.104) 2.611 11.379 ( 0.378 3.059 -1.498) 3.427 11.479 ( 0.747 -6.355 -1.367) 6.543 12.017 ( -0.565 -0.659 3.864) 3.960 12.027 ( -0.149 -1.526 1.609) 2.222 12.356 ( 0.090 1.417 0.279) 1.447 12.390 ( -2.634 -1.808 -1.031) 3.357 13.963 ( 3.361 1.450 1.750) 4.057 14.015 ( 2.100 -3.620 -0.525) 4.218 14.256 ( 2.596 3.528 -0.824) 4.457 14.336 ( 3.102 -4.301 -0.123) 5.304 21.002 ( -0.701 2.508 -0.395) 2.634 21.045 ( -0.945 -1.453 -0.222) 1.747 21.609 ( -0.528 1.108 0.023) 1.228 21.663 ( -0.484 -4.191 -0.288) 4.229 22.185 ( -0.413 3.873 -1.645) 4.228 22.215 ( -0.261 0.873 -1.854) 2.066 23.073 ( 0.099 9.001 1.545) 9.133 23.194 ( 1.667 -0.390 0.171) 1.720 23.398 ( -0.887 0.808 1.483) 1.908 23.434 ( -0.218 -2.090 -3.617) 4.183 23.549 ( -0.805 3.931 2.282) 4.616 23.692 ( 0.672 -5.892 0.600) 5.960 23.710 ( 0.943 -1.059 -0.072) 1.420 23.721 ( 0.682 -2.064 0.996) 2.391 24.538 ( 1.960 20.753 -0.169) 20.846 24.918 ( 2.083 -16.562 0.267) 16.695 ======================= Grid point 63 (21/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 4.885 0.000 15.258) 16.021 0.447 ( -0.785 0.000 22.568) 22.582 0.881 ( -0.749 0.000 44.170) 44.177 1.701 ( -6.782 0.000 -13.122) 14.771 1.714 ( 0.185 0.000 -0.304) 0.355 2.032 ( 6.813 0.000 -2.548) 7.273 2.184 ( -2.889 0.000 -2.732) 3.976 2.197 ( -1.680 0.000 -3.499) 3.881 2.291 ( -2.062 0.000 -5.555) 5.926 2.404 ( -0.969 0.000 10.269) 10.315 2.712 ( 1.949 0.000 1.801) 2.653 2.819 ( 6.367 0.000 1.899) 6.644 3.134 ( 1.038 0.000 -10.286) 10.338 3.472 ( -3.589 0.000 5.067) 6.210 3.746 ( -0.998 0.000 4.375) 4.487 3.770 ( -0.797 0.000 -2.704) 2.819 3.800 ( -2.692 0.000 -5.412) 6.045 4.013 ( 1.655 0.000 3.220) 3.620 4.395 ( 6.742 0.000 2.000) 7.032 4.448 ( 9.715 0.000 1.247) 9.794 4.498 ( -7.835 0.000 -1.534) 7.984 4.606 ( -23.202 0.000 -11.792) 26.027 4.770 ( -2.577 0.000 1.788) 3.137 4.905 ( -2.848 0.000 5.992) 6.635 5.087 ( -10.361 0.000 8.050) 13.121 5.307 ( 10.842 0.000 -2.103) 11.044 5.496 ( -5.083 0.000 -2.250) 5.559 5.747 ( 2.265 0.000 -0.605) 2.344 5.795 ( 6.678 0.000 2.220) 7.038 5.850 ( 12.140 0.000 4.623) 12.990 6.297 ( 0.999 0.000 1.000) 1.413 6.452 ( -5.502 0.000 -2.336) 5.977 6.589 ( 6.768 0.000 6.885) 9.655 7.240 ( 3.030 0.000 -7.215) 7.825 7.496 ( -0.677 0.000 3.722) 3.783 8.096 ( 0.886 0.000 -4.112) 4.206 8.236 ( -7.363 0.000 8.512) 11.254 9.327 ( 5.386 0.000 -9.840) 11.218 9.406 ( -0.071 0.000 -1.821) 1.822 9.560 ( 4.788 0.000 -8.452) 9.714 9.615 ( -5.554 0.000 1.742) 5.820 10.015 ( -6.561 0.000 -4.333) 7.863 10.371 ( -22.734 0.000 -2.013) 22.823 11.013 ( 5.842 0.000 -5.743) 8.192 11.113 ( 5.788 0.000 2.712) 6.392 11.249 ( -8.034 0.000 2.784) 8.502 11.651 ( 10.891 0.000 -16.847) 20.060 11.672 ( 1.285 0.000 -2.343) 2.673 12.159 ( 0.890 0.000 5.471) 5.543 12.279 ( -0.907 0.000 0.499) 1.035 12.743 ( 1.503 0.000 0.269) 1.527 13.010 ( -3.336 0.000 3.305) 4.696 13.336 ( 39.659 0.000 9.920) 40.881 13.751 ( 2.841 0.000 -1.346) 3.144 13.891 ( -3.094 0.000 3.748) 4.861 13.923 ( -36.533 0.000 -1.454) 36.562 20.837 ( 0.196 0.000 1.624) 1.636 21.569 ( -16.073 0.000 -5.598) 17.020 21.685 ( -10.359 0.000 0.639) 10.379 22.104 ( -3.232 0.000 -3.025) 4.427 22.205 ( -0.177 0.000 5.987) 5.989 22.393 ( 1.554 0.000 -0.884) 1.787 22.689 ( -77.909 0.000 3.168) 77.973 22.721 ( 1.988 0.000 -1.804) 2.684 23.159 ( 4.295 0.000 -0.711) 4.354 23.299 ( 7.994 0.000 -6.589) 10.359 23.478 ( -4.829 0.000 -0.302) 4.839 23.543 ( 1.714 0.000 0.309) 1.741 23.835 ( 0.453 0.000 -2.837) 2.873 23.927 ( -0.795 0.000 -2.563) 2.684 23.964 ( -11.103 0.000 10.527) 15.300 24.272 ( 81.277 0.000 4.335) 81.392 ======================= Grid point 64 (22/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 7.747 0.000 14.654) 16.576 0.841 ( 25.645 0.000 9.130) 27.222 1.416 ( 9.957 0.000 25.230) 27.124 1.493 ( 2.467 0.000 -10.992) 11.266 1.815 ( 6.035 0.000 3.048) 6.761 2.049 ( 0.876 0.000 -2.457) 2.608 2.146 ( 2.896 0.000 -2.901) 4.099 2.181 ( 4.776 0.000 -2.704) 5.488 2.236 ( 3.120 0.000 -2.838) 4.218 2.532 ( 0.760 0.000 9.225) 9.256 2.793 ( 6.100 0.000 1.823) 6.367 2.997 ( 4.810 0.000 -5.836) 7.563 3.071 ( 11.943 0.000 -1.901) 12.093 3.477 ( -2.423 0.000 3.036) 3.884 3.547 ( -17.641 0.000 5.624) 18.516 3.787 ( -0.124 0.000 3.591) 3.593 3.805 ( 1.144 0.000 1.762) 2.101 3.873 ( -12.465 0.000 6.363) 13.995 4.369 ( -6.535 0.000 -0.092) 6.535 4.373 ( 6.697 0.000 8.653) 10.942 4.519 ( 8.961 0.000 -3.097) 9.481 4.579 ( 3.941 0.000 -2.527) 4.682 4.847 ( 7.999 0.000 4.719) 9.287 4.895 ( -6.807 0.000 4.543) 8.184 5.077 ( 6.128 0.000 5.954) 8.545 5.425 ( -0.469 0.000 -1.882) 1.939 5.675 ( 15.251 0.000 -7.631) 17.054 5.724 ( 0.975 0.000 -0.960) 1.368 5.982 ( 8.302 0.000 2.297) 8.614 6.161 ( 21.149 0.000 -13.097) 24.876 6.353 ( -2.557 0.000 -1.421) 2.925 6.377 ( 5.886 0.000 3.398) 6.797 6.823 ( 8.641 0.000 10.044) 13.249 7.164 ( -2.528 0.000 -5.496) 6.050 7.491 ( -3.830 0.000 2.464) 4.554 8.047 ( 0.679 0.000 -6.243) 6.280 8.269 ( -1.239 0.000 9.058) 9.142 9.310 ( 6.488 0.000 -11.155) 12.905 9.368 ( -1.098 0.000 -2.647) 2.866 9.424 ( -3.812 0.000 -11.201) 11.832 9.547 ( -3.000 0.000 0.345) 3.020 9.794 ( -4.059 0.000 -11.338) 12.042 10.191 ( -10.207 0.000 4.332) 11.088 10.968 ( -4.741 0.000 -3.378) 5.822 11.089 ( -10.938 0.000 -0.817) 10.969 11.192 ( -2.749 0.000 5.223) 5.902 11.552 ( 3.985 0.000 -15.477) 15.982 11.665 ( 2.719 0.000 -4.446) 5.212 12.120 ( -8.874 0.000 9.936) 13.322 12.233 ( -3.021 0.000 -1.137) 3.228 12.756 ( -2.080 0.000 1.605) 2.627 12.842 ( -21.468 0.000 7.704) 22.809 13.555 ( -0.307 0.000 12.370) 12.374 13.838 ( 7.952 0.000 -0.236) 7.955 13.939 ( 2.615 0.000 4.198) 4.946 14.123 ( 32.564 0.000 -17.938) 37.178 20.877 ( 0.941 0.000 3.194) 3.330 21.184 ( -17.471 0.000 3.205) 17.763 21.681 ( -0.303 0.000 2.269) 2.289 21.994 ( -3.845 0.000 -4.973) 6.286 22.204 ( -15.987 0.000 8.624) 18.165 22.257 ( -2.901 0.000 6.412) 7.038 22.427 ( 2.692 0.000 0.356) 2.715 22.736 ( 2.217 0.000 -1.490) 2.672 23.250 ( 6.314 0.000 0.966) 6.387 23.376 ( 7.883 0.000 -2.692) 8.330 23.462 ( -0.043 0.000 0.841) 0.842 23.577 ( 1.865 0.000 0.163) 1.872 23.813 ( 0.261 0.000 -1.610) 1.632 23.871 ( -1.089 0.000 -3.636) 3.796 23.914 ( -6.866 0.000 5.612) 8.868 24.986 ( 27.976 0.000 -10.415) 29.852 ======================= Grid point 65 (23/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 11.312 0.000 6.955) 13.279 1.238 ( 7.859 0.000 10.403) 13.038 1.529 ( 9.399 0.000 -1.360) 9.497 1.705 ( 5.330 0.000 -2.272) 5.794 1.943 ( 7.777 0.000 1.633) 7.947 2.036 ( 3.309 0.000 -5.710) 6.600 2.221 ( 0.757 0.000 1.072) 1.312 2.224 ( 8.557 0.000 -0.493) 8.571 2.375 ( 10.096 0.000 6.033) 11.762 2.651 ( 1.893 0.000 6.806) 7.064 2.926 ( 0.595 0.000 -6.766) 6.792 2.977 ( 12.906 0.000 1.075) 12.951 3.210 ( 0.257 0.000 -3.967) 3.976 3.430 ( -5.279 0.000 3.330) 6.242 3.582 ( 13.465 0.000 3.425) 13.894 3.757 ( -5.376 0.000 1.898) 5.702 3.815 ( -0.682 0.000 1.193) 1.374 3.951 ( 5.627 0.000 7.015) 8.993 4.285 ( -3.476 0.000 0.445) 3.504 4.568 ( -0.833 0.000 8.537) 8.577 4.576 ( 1.328 0.000 -2.611) 2.929 4.687 ( 14.679 0.000 0.332) 14.682 4.867 ( 0.585 0.000 1.672) 1.771 5.013 ( 0.920 0.000 6.764) 6.826 5.295 ( 12.289 0.000 1.746) 12.413 5.385 ( 0.881 0.000 -5.154) 5.229 5.789 ( 9.127 0.000 -4.422) 10.142 5.873 ( 15.038 0.000 3.191) 15.373 6.096 ( 6.078 0.000 -1.921) 6.374 6.186 ( 4.154 0.000 -10.024) 10.851 6.367 ( 4.183 0.000 -2.122) 4.691 6.545 ( 6.197 0.000 4.672) 7.761 7.031 ( -6.835 0.000 -3.156) 7.528 7.095 ( 8.632 0.000 9.380) 12.748 7.476 ( -0.248 0.000 2.567) 2.579 7.961 ( -0.810 0.000 -7.195) 7.241 8.408 ( 1.897 0.000 11.864) 12.014 9.207 ( -2.417 0.000 -11.264) 11.521 9.208 ( -5.885 0.000 -9.443) 11.127 9.301 ( -1.783 0.000 -4.185) 4.549 9.559 ( 3.140 0.000 0.182) 3.145 9.642 ( 1.849 0.000 -10.010) 10.180 10.042 ( -13.766 0.000 3.549) 14.216 10.778 ( -13.309 0.000 -0.969) 13.344 10.933 ( -4.616 0.000 -2.747) 5.372 11.166 ( -5.810 0.000 3.526) 6.797 11.445 ( 1.650 0.000 -8.928) 9.079 11.652 ( 4.352 0.000 -7.099) 8.326 12.135 ( -2.952 0.000 7.142) 7.728 12.190 ( 0.111 0.000 -0.726) 0.734 12.584 ( -20.777 0.000 8.223) 22.345 12.703 ( -6.350 0.000 1.185) 6.459 13.748 ( 8.230 0.000 5.448) 9.870 13.973 ( 7.950 0.000 -0.177) 7.952 14.059 ( 4.305 0.000 4.737) 6.401 14.331 ( 16.674 0.000 -11.645) 20.338 20.943 ( 1.095 0.000 4.579) 4.708 21.022 ( -6.767 0.000 0.859) 6.822 21.697 ( -1.430 0.000 2.518) 2.896 21.864 ( -3.706 0.000 -5.395) 6.545 22.106 ( -6.627 0.000 3.710) 7.595 22.263 ( -4.779 0.000 4.899) 6.844 22.482 ( 2.615 0.000 1.072) 2.826 22.754 ( 1.827 0.000 -1.187) 2.179 23.371 ( 6.193 0.000 0.839) 6.250 23.482 ( 5.667 0.000 1.193) 5.792 23.486 ( 1.610 0.000 1.064) 1.930 23.605 ( 1.478 0.000 -0.186) 1.490 23.789 ( -5.739 0.000 4.183) 7.102 23.809 ( -0.828 0.000 -3.561) 3.656 23.898 ( 4.371 0.000 -3.577) 5.648 25.201 ( 13.031 0.000 -6.282) 14.466 ======================= Grid point 66 (24/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 9.596 0.000 5.556) 11.088 1.414 ( 2.754 0.000 6.598) 7.149 1.676 ( -2.707 0.000 -2.356) 3.588 1.695 ( 7.221 0.000 3.381) 7.973 2.011 ( 4.328 0.000 -8.155) 9.232 2.023 ( 5.556 0.000 -4.992) 7.469 2.224 ( -3.008 0.000 2.421) 3.861 2.360 ( 3.519 0.000 2.417) 4.269 2.662 ( 16.271 0.000 2.397) 16.446 2.746 ( 1.219 0.000 2.705) 2.967 2.880 ( 0.385 0.000 -0.370) 0.534 3.091 ( -6.246 0.000 -2.542) 6.743 3.180 ( 9.746 0.000 -0.450) 9.756 3.405 ( 0.186 0.000 -1.027) 1.044 3.689 ( -7.469 0.000 3.648) 8.312 3.772 ( 1.808 0.000 -3.727) 4.142 3.877 ( 10.068 0.000 2.943) 10.490 4.148 ( 7.416 0.000 4.636) 8.746 4.271 ( 3.613 0.000 -3.588) 5.092 4.581 ( 0.790 0.000 1.062) 1.324 4.603 ( -0.475 0.000 -0.168) 0.504 4.815 ( -0.534 0.000 3.179) 3.223 5.028 ( -6.031 0.000 3.436) 6.941 5.044 ( 14.084 0.000 2.050) 14.233 5.388 ( 3.774 0.000 0.085) 3.775 5.484 ( 10.721 0.000 -2.489) 11.006 5.873 ( 6.202 0.000 -3.727) 7.236 6.162 ( 6.332 0.000 0.959) 6.404 6.166 ( 5.424 0.000 -3.648) 6.536 6.191 ( 16.272 0.000 -1.661) 16.356 6.383 ( 0.195 0.000 -1.560) 1.572 6.632 ( -0.782 0.000 0.605) 0.989 6.889 ( -6.031 0.000 -0.700) 6.072 7.292 ( 5.397 0.000 2.109) 5.794 7.556 ( 3.921 0.000 3.712) 5.399 7.868 ( -0.782 0.000 -4.491) 4.559 8.607 ( 2.348 0.000 14.077) 14.271 8.980 ( -8.220 0.000 -9.871) 12.846 9.028 ( -3.803 0.000 -5.952) 7.064 9.231 ( -0.589 0.000 -2.573) 2.640 9.598 ( 3.382 0.000 -5.225) 6.224 9.599 ( 0.392 0.000 0.275) 0.479 9.858 ( -12.869 0.000 4.580) 13.659 10.564 ( -10.058 0.000 -1.093) 10.118 10.884 ( 1.649 0.000 -0.778) 1.824 11.118 ( -4.144 0.000 2.357) 4.768 11.391 ( 0.131 0.000 -1.931) 1.936 11.640 ( 6.099 0.000 -8.515) 10.474 12.170 ( -1.067 0.000 2.933) 3.121 12.227 ( 3.793 0.000 1.192) 3.976 12.365 ( -14.927 0.000 4.327) 15.541 12.581 ( -9.051 0.000 0.147) 9.052 13.926 ( 7.232 0.000 1.860) 7.467 14.083 ( 5.395 0.000 -0.178) 5.398 14.171 ( 2.024 0.000 4.399) 4.843 14.431 ( 8.296 0.000 -4.311) 9.349 20.955 ( -2.492 0.000 0.222) 2.502 21.012 ( -0.086 0.000 4.386) 4.387 21.694 ( -2.530 0.000 2.222) 3.367 21.757 ( -2.074 0.000 -3.272) 3.873 22.060 ( -2.955 0.000 1.585) 3.353 22.226 ( -4.617 0.000 2.017) 5.039 22.534 ( 1.645 0.000 1.539) 2.253 22.764 ( 0.855 0.000 -0.857) 1.211 23.456 ( 2.819 0.000 0.775) 2.924 23.537 ( 3.175 0.000 -0.016) 3.175 23.576 ( 1.951 0.000 2.974) 3.557 23.614 ( 1.080 0.000 -2.024) 2.294 23.735 ( -4.976 0.000 2.512) 5.575 23.761 ( 0.183 0.000 -3.082) 3.088 23.968 ( 7.419 0.000 -1.821) 7.639 25.300 ( 7.386 0.000 -4.413) 8.604 ======================= Grid point 67 (25/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 1.159 0.000 5.813) 5.927 1.513 ( -1.325 0.000 2.746) 3.049 1.589 ( -0.944 0.000 -1.630) 1.884 1.803 ( 0.623 0.000 2.457) 2.534 2.005 ( 6.372 0.000 -6.034) 8.775 2.046 ( 4.031 0.000 -3.545) 5.368 2.191 ( -3.524 0.000 1.471) 3.819 2.400 ( -0.386 0.000 0.659) 0.764 2.749 ( -0.542 0.000 -1.208) 1.324 2.878 ( 6.358 0.000 -0.422) 6.372 2.927 ( -0.989 0.000 5.369) 5.460 3.019 ( -0.419 0.000 3.327) 3.353 3.259 ( 2.160 0.000 -3.433) 4.056 3.424 ( 4.499 0.000 -1.745) 4.826 3.605 ( -7.740 0.000 4.431) 8.919 3.758 ( 2.270 0.000 -2.074) 3.075 4.000 ( 1.845 0.000 0.478) 1.906 4.239 ( 0.798 0.000 -2.980) 3.085 4.262 ( 4.178 0.000 -10.762) 11.545 4.545 ( -1.340 0.000 -6.590) 6.725 4.638 ( 1.922 0.000 4.313) 4.722 4.824 ( -0.844 0.000 0.386) 0.928 4.945 ( -4.533 0.000 -1.252) 4.703 5.234 ( 3.371 0.000 2.260) 4.059 5.468 ( 0.712 0.000 5.214) 5.262 5.575 ( 6.842 0.000 -6.065) 9.143 5.913 ( 4.205 0.000 -1.920) 4.623 6.253 ( 4.178 0.000 0.375) 4.195 6.274 ( 6.523 0.000 1.543) 6.703 6.343 ( -1.789 0.000 -0.308) 1.815 6.394 ( 7.761 0.000 -2.034) 8.023 6.568 ( -3.045 0.000 0.150) 3.048 6.816 ( -2.538 0.000 -2.181) 3.346 7.311 ( 0.740 0.000 -6.704) 6.744 7.636 ( -0.248 0.000 2.098) 2.113 7.838 ( 1.193 0.000 -0.994) 1.553 8.667 ( -10.039 0.000 -5.212) 11.311 8.886 ( 4.521 0.000 12.136) 12.950 8.947 ( 0.846 0.000 -3.016) 3.133 9.242 ( 0.752 0.000 3.880) 3.952 9.588 ( -0.911 0.000 0.112) 0.918 9.610 ( 3.395 0.000 -1.430) 3.684 9.777 ( -5.135 0.000 7.032) 8.707 10.438 ( -3.098 0.000 -1.323) 3.368 10.945 ( 2.502 0.000 3.062) 3.954 11.082 ( -3.745 0.000 2.026) 4.258 11.417 ( 1.886 0.000 4.186) 4.591 11.647 ( 7.135 0.000 -8.107) 10.800 12.142 ( -3.440 0.000 -2.999) 4.564 12.214 ( -6.370 0.000 1.007) 6.449 12.333 ( 6.234 0.000 1.317) 6.371 12.424 ( -9.226 0.000 0.268) 9.230 14.014 ( 2.098 0.000 -0.499) 2.157 14.141 ( 1.880 0.000 -0.420) 1.927 14.227 ( -1.541 0.000 4.098) 4.378 14.525 ( 4.797 0.000 2.672) 5.491 20.938 ( -0.433 0.000 0.901) 1.000 21.029 ( -2.555 0.000 1.641) 3.037 21.673 ( -2.462 0.000 1.295) 2.782 21.736 ( 1.068 0.000 1.365) 1.733 22.043 ( -1.291 0.000 1.037) 1.655 22.173 ( -2.524 0.000 -0.443) 2.563 22.568 ( -0.021 0.000 1.600) 1.600 22.761 ( 0.448 0.000 -1.244) 1.322 23.489 ( 0.140 0.000 0.779) 0.791 23.565 ( 1.651 0.000 -2.905) 3.342 23.578 ( -0.954 0.000 -3.613) 3.737 23.603 ( -0.178 0.000 -1.342) 1.354 23.721 ( -0.924 0.000 3.424) 3.547 23.747 ( 1.617 0.000 -1.099) 1.955 24.074 ( 3.568 0.000 3.327) 4.878 25.345 ( 4.438 0.000 -3.777) 5.828 ======================= Grid point 68 (26/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -9.655 0.000 -6.517) 11.648 1.434 ( -11.060 0.000 1.208) 11.126 1.679 ( 4.380 0.000 3.975) 5.915 1.796 ( -4.322 0.000 3.453) 5.532 2.065 ( 6.088 0.000 -2.640) 6.636 2.071 ( 2.917 0.000 -2.098) 3.593 2.155 ( -0.941 0.000 -0.443) 1.039 2.373 ( -2.272 0.000 -1.428) 2.683 2.713 ( -2.867 0.000 -0.475) 2.906 2.826 ( -10.442 0.000 -2.355) 10.705 2.986 ( 1.014 0.000 6.467) 6.546 3.149 ( 4.557 0.000 8.440) 9.592 3.179 ( -3.662 0.000 -6.776) 7.702 3.446 ( -1.613 0.000 -1.817) 2.429 3.609 ( 2.252 0.000 4.899) 5.392 3.773 ( 0.399 0.000 -3.460) 3.483 3.979 ( -4.051 0.000 1.008) 4.174 4.100 ( -7.178 0.000 -8.490) 11.117 4.143 ( 0.350 0.000 -11.459) 11.464 4.416 ( -1.726 0.000 -9.775) 9.926 4.728 ( 1.507 0.000 5.086) 5.305 4.779 ( -3.148 0.000 -2.982) 4.336 4.869 ( -0.620 0.000 -3.687) 3.739 5.196 ( -7.413 0.000 -0.056) 7.413 5.526 ( -2.562 0.000 6.812) 7.278 5.585 ( 1.164 0.000 -4.514) 4.661 5.940 ( 0.203 0.000 -0.277) 0.344 6.254 ( -4.507 0.000 -0.151) 4.509 6.295 ( -0.704 0.000 0.941) 1.176 6.362 ( -3.797 0.000 -4.870) 6.176 6.446 ( 6.050 0.000 4.258) 7.399 6.564 ( -3.949 0.000 -3.153) 5.053 6.802 ( 7.083 0.000 1.887) 7.330 7.172 ( -4.400 0.000 -9.943) 10.873 7.571 ( -6.953 0.000 -2.497) 7.388 7.880 ( 4.868 0.000 -0.528) 4.896 8.441 ( -7.805 0.000 -4.166) 8.847 8.986 ( 6.452 0.000 -0.689) 6.489 9.159 ( 6.756 0.000 13.952) 15.501 9.320 ( 0.246 0.000 6.164) 6.168 9.599 ( 1.684 0.000 0.705) 1.826 9.695 ( 6.216 0.000 2.036) 6.541 9.848 ( 1.833 0.000 8.354) 8.553 10.433 ( 4.697 0.000 -1.665) 4.983 11.002 ( -2.382 0.000 5.604) 6.089 11.037 ( -4.204 0.000 1.167) 4.363 11.566 ( 5.088 0.000 10.634) 11.788 11.674 ( 6.603 0.000 -6.242) 9.086 12.029 ( -0.343 0.000 -8.093) 8.100 12.131 ( -4.150 0.000 -2.439) 4.814 12.267 ( -5.662 0.000 -2.580) 6.222 12.484 ( 6.353 0.000 3.158) 7.095 13.984 ( -4.524 0.000 -0.812) 4.596 14.131 ( -2.030 0.000 -1.111) 2.314 14.223 ( -5.111 0.000 4.200) 6.615 14.655 ( 3.182 0.000 7.305) 7.968 20.963 ( 0.651 0.000 2.840) 2.914 20.978 ( -3.733 0.000 -0.697) 3.798 21.649 ( -1.534 0.000 0.368) 1.578 21.812 ( 3.113 0.000 4.306) 5.313 22.038 ( -0.872 0.000 0.936) 1.279 22.143 ( 0.093 0.000 -0.800) 0.805 22.569 ( -1.831 0.000 0.932) 2.054 22.749 ( 0.981 0.000 -2.544) 2.726 23.483 ( -1.905 0.000 -0.142) 1.910 23.499 ( 0.067 0.000 -7.422) 7.422 23.510 ( -0.340 0.000 -6.290) 6.299 23.570 ( -1.182 0.000 -1.632) 2.015 23.761 ( -0.913 0.000 4.860) 4.946 23.793 ( 2.229 0.000 2.916) 3.671 24.148 ( -2.308 0.000 6.409) 6.812 25.358 ( 2.701 0.000 -3.647) 4.538 ======================= Grid point 69 (27/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -13.358 0.000 -9.961) 16.663 1.151 ( -18.816 0.000 -4.931) 19.452 1.771 ( -6.144 0.000 6.993) 9.308 1.777 ( 0.568 0.000 2.617) 2.678 2.053 ( -3.694 0.000 -2.687) 4.568 2.083 ( 1.119 0.000 -3.469) 3.646 2.191 ( 4.054 0.000 1.001) 4.176 2.293 ( -3.883 0.000 -3.174) 5.016 2.527 ( -19.445 0.000 -0.812) 19.462 2.636 ( -7.092 0.000 1.445) 7.237 2.990 ( -7.910 0.000 -7.717) 11.051 3.108 ( 2.711 0.000 6.415) 6.965 3.303 ( 1.703 0.000 4.858) 5.148 3.317 ( -9.020 0.000 -5.145) 10.385 3.572 ( -10.152 0.000 -11.969) 15.695 3.721 ( 3.918 0.000 1.576) 4.223 3.900 ( -4.766 0.000 -3.118) 5.696 3.922 ( -6.257 0.000 2.216) 6.638 4.108 ( 5.057 0.000 -1.227) 5.204 4.256 ( -2.236 0.000 -10.337) 10.576 4.657 ( -3.145 0.000 -7.215) 7.870 4.811 ( -0.225 0.000 6.420) 6.424 4.839 ( 2.262 0.000 -3.662) 4.305 5.061 ( -8.690 0.000 1.422) 8.806 5.472 ( -9.248 0.000 -1.917) 9.445 5.561 ( -2.740 0.000 6.610) 7.155 5.927 ( -3.839 0.000 1.708) 4.202 6.075 ( -18.014 0.000 -2.209) 18.149 6.179 ( -6.585 0.000 -6.971) 9.590 6.291 ( 0.133 0.000 -0.786) 0.797 6.422 ( -1.705 0.000 -7.290) 7.487 6.608 ( 5.975 0.000 6.345) 8.716 6.956 ( -6.762 0.000 -8.666) 10.992 7.021 ( 10.315 0.000 5.632) 11.752 7.397 ( -6.039 0.000 -5.334) 8.058 7.970 ( 6.685 0.000 -1.235) 6.798 8.326 ( -4.738 0.000 1.573) 4.992 9.125 ( 10.084 0.000 0.087) 10.084 9.388 ( -0.074 0.000 4.470) 4.471 9.403 ( 4.497 0.000 8.569) 9.677 9.639 ( -0.226 0.000 2.935) 2.943 9.834 ( 7.005 0.000 1.627) 7.192 10.040 ( 6.852 0.000 10.908) 12.882 10.547 ( 11.588 0.000 -2.019) 11.763 10.975 ( -3.341 0.000 -0.634) 3.401 11.028 ( -1.988 0.000 6.278) 6.586 11.705 ( 4.144 0.000 -3.532) 5.446 11.824 ( 2.723 0.000 16.934) 17.152 11.946 ( 6.017 0.000 -11.737) 13.189 12.014 ( -1.613 0.000 -7.167) 7.346 12.176 ( -1.211 0.000 -2.544) 2.818 12.614 ( 5.672 0.000 1.152) 5.788 13.851 ( -10.940 0.000 0.209) 10.942 14.048 ( -5.415 0.000 -2.084) 5.802 14.163 ( -8.454 0.000 4.363) 9.514 14.799 ( 1.523 0.000 9.532) 9.653 20.907 ( -3.128 0.000 -1.102) 3.316 21.035 ( 0.859 0.000 7.287) 7.337 21.633 ( -0.738 0.000 0.125) 0.748 21.922 ( 3.607 0.000 4.002) 5.388 22.034 ( -0.859 0.000 0.605) 1.050 22.156 ( 1.107 0.000 0.733) 1.327 22.531 ( -2.993 0.000 -0.491) 3.033 22.733 ( 1.860 0.000 -3.819) 4.248 23.373 ( -3.062 0.000 -7.361) 7.972 23.406 ( 1.395 0.000 -9.376) 9.479 23.476 ( -1.261 0.000 0.233) 1.282 23.533 ( -1.255 0.000 -0.862) 1.522 23.805 ( -1.406 0.000 5.319) 5.502 23.873 ( 1.640 0.000 4.190) 4.499 24.152 ( -7.339 0.000 7.423) 10.439 25.349 ( 2.103 0.000 -4.149) 4.652 ======================= Grid point 70 (28/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -19.020 0.000 -4.732) 19.600 0.743 ( -21.810 0.000 -4.683) 22.307 1.524 ( -30.164 0.000 -8.478) 31.332 1.781 ( -2.340 0.000 6.757) 7.151 1.977 ( -5.459 0.000 8.749) 10.313 2.054 ( -0.011 0.000 -2.672) 2.672 2.125 ( -9.108 0.000 -3.968) 9.935 2.257 ( 1.720 0.000 0.570) 1.812 2.356 ( -4.105 0.000 1.631) 4.417 2.524 ( -10.394 0.000 4.087) 11.169 2.769 ( -7.828 0.000 -2.854) 8.332 3.064 ( -10.722 0.000 -6.380) 12.476 3.071 ( -8.826 0.000 -11.985) 14.884 3.262 ( -3.028 0.000 0.976) 3.182 3.431 ( -0.274 0.000 3.937) 3.946 3.747 ( 1.846 0.000 -1.911) 2.657 3.832 ( -6.750 0.000 0.702) 6.787 3.888 ( -0.765 0.000 4.042) 4.114 4.101 ( -1.523 0.000 -9.482) 9.604 4.209 ( 5.460 0.000 1.761) 5.737 4.516 ( -0.620 0.000 -10.220) 10.238 4.796 ( -2.078 0.000 -2.971) 3.626 4.878 ( -4.517 0.000 6.405) 7.837 4.975 ( -5.417 0.000 3.843) 6.642 5.270 ( -14.868 0.000 2.915) 15.151 5.589 ( -5.534 0.000 5.409) 7.739 5.752 ( -9.330 0.000 -2.435) 9.643 5.829 ( -8.420 0.000 0.533) 8.437 5.959 ( -6.730 0.000 -10.689) 12.631 6.316 ( 3.918 0.000 0.144) 3.921 6.341 ( -1.131 0.000 -3.010) 3.216 6.754 ( -6.535 0.000 -5.837) 8.762 6.794 ( 6.832 0.000 4.675) 8.278 7.222 ( 8.678 0.000 -2.575) 9.052 7.307 ( 0.581 0.000 1.651) 1.750 8.051 ( 5.487 0.000 -2.378) 5.980 8.295 ( -5.960 0.000 6.551) 8.856 9.289 ( 9.059 0.000 -0.313) 9.064 9.423 ( 0.201 0.000 1.133) 1.150 9.475 ( -0.115 0.000 -2.704) 2.707 9.666 ( -4.079 0.000 7.347) 8.403 9.954 ( 5.374 0.000 1.153) 5.496 10.321 ( 7.385 0.000 14.719) 16.467 10.742 ( 14.754 0.000 -3.057) 15.067 10.932 ( 1.068 0.000 -1.790) 2.084 11.118 ( 3.064 0.000 6.718) 7.384 11.714 ( 0.723 0.000 -1.657) 1.808 11.764 ( -5.769 0.000 -10.783) 12.230 11.917 ( -0.314 0.000 -3.711) 3.724 12.171 ( 3.518 0.000 -1.468) 3.811 12.198 ( 15.968 0.000 6.814) 17.361 12.692 ( 3.681 0.000 -0.970) 3.807 13.628 ( -17.409 0.000 1.583) 17.480 13.914 ( -6.633 0.000 -2.755) 7.182 14.058 ( -10.377 0.000 4.278) 11.225 14.935 ( 1.680 0.000 7.706) 7.887 20.854 ( -1.949 0.000 -0.558) 2.027 21.201 ( 1.073 0.000 20.122) 20.150 21.631 ( -0.805 0.000 2.118) 2.266 22.024 ( -0.985 0.000 0.382) 1.057 22.026 ( 3.352 0.000 3.641) 4.949 22.180 ( -0.114 0.000 1.224) 1.229 22.466 ( -2.751 0.000 -1.978) 3.388 22.719 ( 2.301 0.000 -3.871) 4.503 23.241 ( -2.703 0.000 -5.484) 6.114 23.323 ( 3.419 0.000 -10.093) 10.656 23.459 ( -1.521 0.000 0.707) 1.677 23.512 ( -0.498 0.000 0.008) 0.498 23.842 ( -1.435 0.000 4.220) 4.458 23.937 ( 0.607 0.000 2.746) 2.812 24.098 ( -10.353 0.000 8.124) 13.160 25.314 ( 2.973 0.000 -10.466) 10.880 ======================= Grid point 71 (29/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -19.970 0.000 9.492) 22.111 0.474 ( -18.129 0.000 27.209) 32.695 0.806 ( -44.491 0.000 1.603) 44.519 1.842 ( -13.631 0.000 0.272) 13.634 1.857 ( 1.792 0.000 2.702) 3.243 1.992 ( 0.384 0.000 -7.843) 7.853 2.223 ( 8.330 0.000 13.459) 15.828 2.256 ( -2.865 0.000 2.030) 3.512 2.285 ( -3.124 0.000 -1.341) 3.400 2.398 ( -10.267 0.000 4.431) 11.183 2.719 ( -3.059 0.000 -0.688) 3.135 2.816 ( -3.831 0.000 -5.822) 6.969 3.089 ( 17.725 0.000 47.076) 50.302 3.216 ( 0.467 0.000 -5.350) 5.370 3.484 ( -3.953 0.000 6.325) 7.458 3.739 ( -4.254 0.000 1.561) 4.531 3.774 ( 2.032 0.000 0.320) 2.057 3.905 ( -2.058 0.000 1.631) 2.626 3.994 ( 1.313 0.000 -5.328) 5.488 4.312 ( 5.873 0.000 0.366) 5.884 4.419 ( 4.390 0.000 -8.358) 9.441 4.668 ( -8.183 0.000 -3.528) 8.911 4.821 ( -8.079 0.000 4.844) 9.419 4.936 ( -6.330 0.000 3.841) 7.404 5.096 ( -12.014 0.000 6.076) 13.463 5.556 ( -2.179 0.000 4.865) 5.331 5.735 ( -2.717 0.000 -7.786) 8.246 5.736 ( -3.546 0.000 2.766) 4.497 5.749 ( 2.638 0.000 -1.124) 2.868 6.299 ( -1.376 0.000 -0.291) 1.406 6.418 ( 5.613 0.000 2.952) 6.341 6.588 ( -6.474 0.000 -3.583) 7.399 6.732 ( -11.671 0.000 -37.506) 39.280 7.250 ( 6.663 0.000 -8.273) 10.622 7.420 ( 2.692 0.000 5.637) 6.247 8.099 ( 3.502 0.000 -1.608) 3.854 8.270 ( -8.736 0.000 8.796) 12.397 9.394 ( 0.216 0.000 -7.950) 7.953 9.399 ( 3.736 0.000 -0.058) 3.736 9.452 ( 2.932 0.000 3.988) 4.950 9.666 ( -5.470 0.000 5.138) 7.505 10.037 ( 2.378 0.000 1.534) 2.830 10.656 ( 10.608 0.000 12.008) 16.022 10.925 ( 12.589 0.000 -5.110) 13.586 11.015 ( 8.199 0.000 2.114) 8.467 11.249 ( 1.120 0.000 6.078) 6.181 11.477 ( -5.488 0.000 -8.870) 10.431 11.691 ( -0.542 0.000 -1.677) 1.762 11.885 ( 1.178 0.000 0.463) 1.266 12.238 ( 4.094 0.000 0.708) 4.155 12.551 ( 16.134 0.000 8.641) 18.302 12.721 ( 2.202 0.000 -1.607) 2.726 13.320 ( -23.599 0.000 4.435) 24.012 13.787 ( -3.819 0.000 -2.586) 4.612 13.945 ( -8.705 0.000 3.989) 9.576 14.906 ( -7.560 0.000 -25.230) 26.338 20.830 ( -0.798 0.000 0.366) 0.878 21.582 ( 6.748 0.000 2.192) 7.095 21.817 ( 7.699 0.000 21.350) 22.695 22.122 ( 2.005 0.000 4.711) 5.120 22.161 ( 20.528 0.000 53.126) 56.955 22.169 ( -1.876 0.000 -0.595) 1.968 22.407 ( -0.747 0.000 -1.895) 2.037 22.715 ( 2.105 0.000 -2.743) 3.457 23.167 ( -0.481 0.000 -1.206) 1.298 23.280 ( 6.078 0.000 -9.264) 11.080 23.440 ( -2.143 0.000 0.828) 2.297 23.517 ( 0.741 0.000 0.415) 0.850 23.854 ( -0.692 0.000 0.534) 0.874 23.956 ( -0.324 0.000 -0.137) 0.351 24.025 ( -11.663 0.000 10.009) 15.369 24.910 ( -23.769 0.000 -63.795) 68.079 ======================= Grid point 72 (30/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 9.952 18.427 5.467) 21.644 0.749 ( -1.322 17.093 18.382) 25.136 1.166 ( -2.480 25.770 25.492) 36.332 1.687 ( -3.650 -0.131 -6.704) 7.635 1.723 ( -2.098 -0.373 -6.867) 7.190 2.041 ( 4.100 0.115 -1.347) 4.317 2.157 ( 0.939 -1.730 -4.379) 4.801 2.174 ( -1.102 -1.765 -3.938) 4.453 2.332 ( -2.452 5.229 -3.078) 6.544 2.451 ( -1.602 3.854 9.343) 10.233 2.664 ( 4.449 -2.918 1.732) 5.595 2.828 ( 2.501 -0.399 2.860) 3.820 3.005 ( 2.980 -10.085 5.681) 11.952 3.378 ( -6.316 5.581 2.926) 8.922 3.677 ( -1.280 -1.941 2.894) 3.712 3.746 ( -0.087 -2.243 -1.958) 2.979 3.852 ( 0.934 -3.389 -4.702) 5.871 4.055 ( 0.854 4.327 3.127) 5.406 4.270 ( 6.564 -8.441 3.399) 11.220 4.422 ( -17.312 -3.809 5.180) 18.467 4.496 ( 7.590 0.044 8.690) 11.537 4.652 ( -3.139 3.247 -2.765) 5.295 4.804 ( 5.025 4.625 -11.622) 13.480 4.889 ( -2.777 -1.319 5.685) 6.463 5.180 ( -8.472 7.715 5.252) 12.605 5.284 ( 9.284 0.051 -3.473) 9.912 5.526 ( -4.764 -2.698 -2.509) 6.023 5.699 ( -2.313 1.701 3.609) 4.612 5.890 ( 5.063 1.496 0.478) 5.301 5.897 ( 7.323 3.720 -0.517) 8.230 6.288 ( 2.175 -4.224 -3.187) 5.722 6.452 ( -4.722 -1.505 0.362) 4.969 6.625 ( 7.187 5.126 4.202) 9.777 7.263 ( 3.707 0.644 -7.369) 8.274 7.448 ( -0.103 -4.691 2.298) 5.225 8.026 ( 0.752 -5.747 -2.591) 6.348 8.272 ( -5.116 3.114 6.118) 8.562 9.281 ( -0.449 -15.410 3.001) 15.706 9.459 ( -0.475 5.729 -0.900) 5.819 9.666 ( 4.240 19.518 -16.092) 25.649 9.864 ( 3.234 12.868 -17.240) 21.755 10.073 ( -5.820 6.041 -4.353) 9.451 10.362 ( -19.376 0.049 -3.710) 19.728 11.004 ( 5.159 -0.847 -6.329) 8.209 11.111 ( 5.427 -0.078 2.267) 5.882 11.260 ( -6.170 0.811 -0.298) 6.230 11.614 ( 4.401 -4.019 -7.721) 9.753 11.651 ( 6.311 -1.829 -10.677) 12.536 12.150 ( 1.911 -0.831 6.284) 6.620 12.213 ( -3.416 -6.111 9.977) 12.188 12.719 ( 1.443 -2.345 0.662) 2.832 12.887 ( 15.635 -21.573 20.712) 33.747 13.058 ( -2.958 -4.962 13.090) 14.308 13.416 ( -12.032 -7.529 11.520) 18.280 13.830 ( -2.117 2.721 2.412) 4.208 14.000 ( -6.823 0.267 0.144) 6.830 20.972 ( 3.086 6.162 -6.095) 9.200 21.473 ( -10.698 -6.103 -0.625) 12.332 21.677 ( -1.653 0.761 2.718) 3.272 21.974 ( -0.535 -8.401 6.187) 10.447 22.183 ( -2.403 3.859 -7.376) 8.664 22.466 ( -0.184 6.697 4.101) 7.855 22.720 ( -3.668 3.281 -4.642) 6.765 23.025 ( -21.023 3.496 -8.176) 22.826 23.169 ( 3.358 0.156 -1.563) 3.707 23.375 ( 2.110 4.463 -4.431) 6.634 23.501 ( -2.425 2.211 0.029) 3.282 23.690 ( -6.770 11.599 -5.734) 14.603 23.804 ( 0.337 -2.564 -4.145) 4.886 23.818 ( -1.156 -7.854 15.028) 16.996 23.926 ( -1.707 0.944 0.052) 1.951 24.476 ( 34.889 9.540 -7.465) 36.932 ======================= Grid point 73 (31/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 17.843 10.188 7.690) 21.939 0.963 ( 10.156 13.158 8.899) 18.854 1.503 ( 2.165 0.493 -10.148) 10.388 1.520 ( 7.128 10.625 17.070) 21.333 1.801 ( 8.236 -1.467 2.061) 8.616 2.026 ( -0.002 -1.121 -2.927) 3.135 2.099 ( -0.998 -1.829 -1.271) 2.441 2.226 ( 6.853 1.496 -2.337) 7.393 2.288 ( 2.947 4.402 -0.910) 5.375 2.555 ( 2.096 2.687 6.014) 6.912 2.830 ( 9.107 1.639 4.047) 10.100 2.954 ( 9.333 -3.554 -1.723) 10.134 3.064 ( 6.576 -0.877 -2.951) 7.261 3.377 ( -4.291 -1.966 9.031) 10.190 3.606 ( -5.978 5.665 -1.690) 8.407 3.731 ( 1.010 -4.586 -1.170) 4.840 3.858 ( 1.382 0.317 2.355) 2.749 4.001 ( -10.796 6.440 6.154) 13.996 4.321 ( -2.897 -2.220 8.725) 9.458 4.401 ( 6.300 -3.134 -1.588) 7.214 4.483 ( -5.652 5.684 3.500) 8.747 4.702 ( 3.085 -0.919 -7.509) 8.170 4.752 ( 7.035 4.612 4.102) 9.359 4.959 ( 1.842 0.834 5.573) 5.928 5.161 ( 5.121 7.618 5.747) 10.830 5.436 ( 0.353 1.155 -3.537) 3.738 5.599 ( 15.345 -5.117 -4.013) 16.666 5.729 ( 2.902 0.681 -0.963) 3.132 6.032 ( 6.786 -0.176 -2.890) 7.377 6.075 ( 13.170 -2.206 3.659) 13.846 6.309 ( 0.749 -2.487 -4.895) 5.542 6.417 ( 3.642 -0.642 2.614) 4.529 6.856 ( 9.769 3.642 8.211) 13.271 7.186 ( -2.248 1.271 -6.494) 6.988 7.454 ( -2.270 -3.551 1.842) 4.599 8.018 ( 2.970 -3.233 -4.976) 6.636 8.286 ( -2.758 2.016 8.158) 8.844 9.228 ( -4.922 -11.497 -3.793) 13.069 9.428 ( -1.850 5.728 -1.526) 6.210 9.528 ( 3.131 15.794 -14.004) 21.339 9.694 ( 0.132 9.804 -12.044) 15.530 9.847 ( -5.972 5.379 -8.698) 11.843 10.182 ( -9.709 -0.710 3.196) 10.246 10.937 ( -5.622 -3.012 -4.142) 7.605 11.092 ( -9.036 0.315 -1.770) 9.213 11.195 ( -2.445 0.293 3.743) 4.481 11.530 ( 3.419 -2.196 -14.554) 15.111 11.629 ( 2.882 -3.575 -4.526) 6.447 12.094 ( -9.623 -2.201 10.949) 14.742 12.231 ( -3.027 -0.333 -0.016) 3.046 12.732 ( -2.889 -2.444 2.173) 4.363 12.798 ( -21.382 -4.709 8.835) 23.610 13.433 ( 8.411 -10.295 11.016) 17.266 13.786 ( 24.966 -12.019 3.714) 27.956 13.889 ( 6.558 1.577 -0.255) 6.750 14.008 ( 9.476 -2.250 -2.581) 10.075 20.952 ( 1.514 4.313 -2.813) 5.367 21.235 ( -13.405 3.351 0.066) 13.818 21.691 ( -1.087 0.603 2.616) 2.897 22.028 ( -4.395 -8.704 3.914) 10.507 22.047 ( -1.219 3.431 -4.360) 5.680 22.354 ( -10.541 4.677 -3.404) 12.024 22.614 ( -3.248 13.249 6.437) 15.084 22.824 ( -0.187 7.691 -1.874) 7.918 23.255 ( 7.017 0.083 0.482) 7.034 23.405 ( 4.878 3.131 -2.116) 6.170 23.480 ( 0.312 1.794 0.994) 2.075 23.635 ( 0.811 5.453 -0.725) 5.561 23.779 ( 1.452 -2.745 -2.641) 4.077 23.864 ( -5.867 -4.824 6.385) 9.923 23.887 ( -1.729 1.923 -1.411) 2.946 24.922 ( 23.868 -5.673 -6.750) 25.445 ======================= Grid point 74 (32/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 7.800 6.479 4.923) 11.272 1.297 ( 7.625 6.369 7.710) 12.576 1.539 ( 7.956 -0.869 -0.849) 8.048 1.718 ( 7.203 3.336 -3.281) 8.589 1.948 ( 5.868 0.194 -1.467) 6.051 2.009 ( 6.103 -1.409 -3.649) 7.248 2.149 ( 4.472 -5.182 1.747) 7.064 2.274 ( 3.583 0.614 -0.859) 3.735 2.385 ( 1.864 2.475 4.459) 5.430 2.728 ( 8.978 7.150 7.748) 13.848 2.935 ( 4.430 1.598 -5.233) 7.040 3.088 ( 11.297 5.740 -0.596) 12.685 3.172 ( 2.493 -2.291 -2.066) 3.966 3.411 ( -0.025 -0.791 4.042) 4.119 3.585 ( 5.273 1.928 1.248) 5.752 3.742 ( -1.927 -0.929 2.318) 3.154 3.909 ( -0.904 4.471 0.235) 4.567 3.995 ( 4.040 3.472 6.288) 8.241 4.312 ( -3.092 2.683 1.959) 4.539 4.474 ( 6.743 -4.110 -2.879) 8.406 4.534 ( -2.859 -2.353 8.097) 8.904 4.753 ( 8.565 -3.684 0.013) 9.324 4.827 ( -1.176 5.663 3.209) 6.614 5.073 ( 1.494 1.425 5.855) 6.208 5.366 ( 10.832 7.966 1.316) 13.510 5.446 ( 6.010 5.370 -3.864) 8.938 5.767 ( 11.127 -1.854 -3.158) 11.714 5.849 ( 12.822 -1.583 1.456) 13.001 6.069 ( 4.637 -3.150 -5.368) 7.762 6.218 ( 1.461 1.861 -5.925) 6.379 6.309 ( 6.418 -2.642 3.067) 7.588 6.573 ( 7.096 0.368 4.227) 8.268 7.044 ( -6.253 1.440 -4.679) 7.941 7.116 ( 8.520 2.052 8.422) 12.155 7.447 ( -0.003 -2.690 1.609) 3.134 7.974 ( 0.812 0.518 -6.936) 7.003 8.399 ( 1.157 -0.472 11.627) 11.694 9.057 ( -7.689 -8.278 -5.642) 12.628 9.352 ( -2.512 5.070 -5.017) 7.562 9.382 ( -1.882 10.229 -12.328) 16.130 9.622 ( 4.045 5.968 -6.129) 9.463 9.703 ( -0.645 5.909 -5.627) 8.185 10.029 ( -13.341 -1.128 2.880) 13.695 10.740 ( -12.093 -3.815 -1.873) 12.818 10.941 ( -4.623 0.961 -2.896) 5.539 11.161 ( -5.694 -0.526 2.771) 6.355 11.423 ( 1.522 -2.039 -8.679) 9.044 11.619 ( 4.275 -3.214 -6.661) 8.542 12.113 ( -3.359 -1.962 8.113) 8.998 12.188 ( -0.865 -0.338 -0.506) 1.057 12.554 ( -19.586 -2.816 8.268) 21.446 12.681 ( -6.117 -2.158 0.912) 6.550 13.693 ( 10.598 -4.307 5.394) 12.648 13.992 ( 7.467 1.021 -2.158) 7.839 14.043 ( 5.923 -2.207 3.903) 7.429 14.230 ( 16.806 -7.156 -4.069) 18.713 20.954 ( 0.210 1.054 0.274) 1.109 21.080 ( -6.249 4.381 0.918) 7.686 21.698 ( -2.231 -0.310 2.812) 3.604 21.897 ( -3.893 1.650 -5.267) 6.754 22.078 ( -2.300 -3.710 5.716) 7.192 22.197 ( -4.758 0.212 -2.503) 5.380 22.652 ( -1.089 12.013 4.054) 12.725 22.825 ( 1.840 6.532 -1.285) 6.907 23.386 ( 7.247 0.547 0.199) 7.270 23.447 ( 1.369 -0.501 1.061) 1.803 23.542 ( 3.841 3.015 2.461) 5.468 23.638 ( 0.754 2.610 -1.338) 3.028 23.767 ( -4.633 -1.705 3.536) 6.072 23.840 ( 0.050 3.567 -2.926) 4.614 23.861 ( 3.331 -3.300 -2.099) 5.137 25.140 ( 12.777 -5.860 -4.899) 14.886 ======================= Grid point 75 (33/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 8.263 2.827 5.656) 10.405 1.435 ( 2.248 2.661 4.480) 5.675 1.629 ( 0.701 -2.479 -0.098) 2.578 1.789 ( 6.457 6.145 0.074) 8.914 1.952 ( 3.926 -1.382 -6.116) 7.398 2.074 ( 3.526 1.100 -3.664) 5.203 2.224 ( 0.828 -2.669 3.310) 4.332 2.349 ( 1.533 0.610 0.731) 1.804 2.451 ( 5.558 -8.373 -0.616) 10.068 2.893 ( 0.979 1.907 2.434) 3.243 2.984 ( 3.785 6.406 0.064) 7.441 3.137 ( 1.829 8.765 -0.997) 9.009 3.248 ( 8.423 5.356 -1.274) 10.063 3.439 ( 0.389 2.145 0.315) 2.202 3.642 ( -6.283 -3.971 -1.782) 7.643 3.757 ( 7.136 -3.155 1.865) 8.022 3.963 ( 3.481 10.101 2.865) 11.061 4.137 ( 6.694 -2.147 -1.172) 7.127 4.351 ( 5.243 6.662 0.913) 8.527 4.524 ( 0.580 -6.789 -3.224) 7.538 4.558 ( 1.079 -1.404 3.193) 3.651 4.826 ( -2.366 2.583 3.585) 5.012 4.905 ( 1.447 -4.898 5.141) 7.247 5.174 ( 4.698 4.953 4.028) 7.927 5.476 ( 4.542 7.389 -1.178) 8.753 5.559 ( 10.685 6.885 -3.667) 13.230 5.878 ( 6.554 0.416 -3.620) 7.499 6.066 ( 3.277 -4.594 -3.700) 6.748 6.105 ( 13.820 -4.961 -1.371) 14.748 6.223 ( 4.582 0.011 0.741) 4.642 6.425 ( 5.024 3.270 0.710) 6.037 6.686 ( 2.206 3.994 0.038) 4.563 6.883 ( -6.952 0.118 -2.241) 7.305 7.316 ( 5.657 2.227 3.033) 6.794 7.505 ( 3.348 -4.855 2.514) 6.410 7.903 ( 0.468 2.508 -5.212) 5.803 8.583 ( 1.779 -1.999 13.242) 13.510 8.859 ( -8.589 -6.426 -4.577) 11.663 9.175 ( -3.022 8.136 -10.866) 13.907 9.270 ( -2.139 4.351 -1.832) 5.183 9.620 ( 2.468 3.538 -2.999) 5.253 9.669 ( 0.164 5.523 -1.639) 5.764 9.848 ( -12.266 -0.835 4.321) 13.031 10.538 ( -9.320 -2.719 -1.121) 9.773 10.890 ( 1.321 0.730 -0.832) 1.723 11.108 ( -4.061 -1.065 2.164) 4.723 11.370 ( 0.465 -1.884 -2.438) 3.116 11.612 ( 5.733 -2.845 -7.666) 9.986 12.140 ( -1.397 -2.500 1.554) 3.259 12.209 ( 0.444 -1.903 3.579) 4.077 12.363 ( -11.518 -0.090 3.643) 12.081 12.565 ( -8.348 -1.673 -0.013) 8.514 13.900 ( 8.168 -2.156 2.176) 8.724 14.070 ( 5.451 -1.557 -2.261) 6.103 14.162 ( 2.480 -0.577 4.291) 4.989 14.403 ( 8.349 -2.462 -0.868) 8.748 20.948 ( -1.283 -0.059 0.376) 1.339 21.042 ( -1.657 2.209 2.140) 3.493 21.685 ( -2.975 -0.971 2.291) 3.878 21.794 ( -2.020 2.566 -2.880) 4.354 22.094 ( -1.947 2.997 1.004) 3.712 22.123 ( -2.615 -6.084 1.716) 6.841 22.674 ( -0.302 10.528 1.416) 10.627 22.840 ( 1.078 7.217 -0.369) 7.306 23.458 ( 1.898 0.037 -0.437) 1.948 23.506 ( 2.635 -2.300 2.361) 4.220 23.609 ( -0.926 -0.200 -0.279) 0.988 23.643 ( 3.201 3.579 -0.211) 4.807 23.722 ( -3.794 -0.765 2.241) 4.472 23.808 ( 1.782 5.916 -4.886) 7.878 23.936 ( 6.046 -2.795 0.714) 6.698 25.251 ( 7.533 -4.905 -3.853) 9.780 ======================= Grid point 76 (34/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.648 0.467 2.228) 2.810 1.514 ( 1.222 1.035 5.514) 5.742 1.604 ( 0.047 1.844 -0.174) 1.853 1.885 ( 3.917 5.239 -0.249) 6.546 1.952 ( 2.849 -1.001 -3.298) 4.471 2.078 ( 2.249 0.368 -1.362) 2.655 2.254 ( -2.611 6.334 1.861) 7.099 2.330 ( -0.849 -6.883 -0.282) 6.941 2.525 ( 3.783 -10.531 -1.548) 11.296 2.931 ( -1.037 0.899 3.784) 4.026 2.984 ( -1.062 0.052 2.203) 2.446 3.203 ( 3.978 15.783 -1.933) 16.391 3.310 ( 2.019 5.068 -3.668) 6.574 3.474 ( 3.536 3.838 0.654) 5.260 3.538 ( -3.780 -4.793 0.728) 6.147 3.850 ( 1.682 -4.338 0.550) 4.685 4.012 ( -1.074 14.374 1.617) 14.504 4.175 ( 5.134 -4.536 -9.507) 11.718 4.408 ( 1.063 8.327 -3.453) 9.077 4.467 ( 0.433 -7.857 -5.961) 9.872 4.624 ( 2.308 -1.387 2.370) 3.587 4.797 ( -3.519 1.413 -1.333) 4.019 4.942 ( -3.753 -0.890 6.165) 7.273 5.268 ( 0.566 2.072 -0.505) 2.207 5.530 ( 2.591 5.446 1.045) 6.121 5.658 ( 6.924 7.348 -4.208) 10.938 5.923 ( 4.185 0.943 -1.327) 4.490 6.087 ( 2.925 -7.634 -0.818) 8.216 6.229 ( 4.226 -6.498 -2.950) 8.294 6.342 ( 3.042 -1.898 3.508) 5.016 6.499 ( 3.654 8.591 -1.241) 9.418 6.666 ( 0.282 8.478 -0.462) 8.495 6.784 ( -2.719 -3.167 -2.981) 5.129 7.343 ( 0.155 2.854 -6.064) 6.704 7.581 ( 0.276 -5.404 2.627) 6.015 7.875 ( 2.095 2.691 -2.616) 4.298 8.637 ( -9.864 -2.546 -4.509) 11.141 8.764 ( 0.747 -6.290 8.977) 10.986 9.085 ( 4.148 6.915 -2.454) 8.429 9.272 ( -0.277 3.370 5.426) 6.394 9.643 ( 0.374 3.251 -0.728) 3.352 9.645 ( 1.345 5.471 1.285) 5.779 9.778 ( -4.026 0.536 6.610) 7.758 10.421 ( -2.954 -1.821 -1.009) 3.614 10.938 ( 1.985 -0.480 2.273) 3.056 11.079 ( -3.360 -0.531 2.692) 4.338 11.391 ( 2.204 -2.336 2.814) 4.270 11.625 ( 6.655 -2.363 -6.815) 9.814 12.099 ( -2.732 -3.414 -3.050) 5.331 12.187 ( -6.042 -2.506 1.644) 6.745 12.350 ( 4.527 1.193 1.009) 4.789 12.420 ( -8.233 -0.440 0.372) 8.253 13.987 ( 1.951 -2.124 -2.022) 3.522 14.131 ( 2.873 -1.414 0.430) 3.231 14.231 ( -1.106 0.415 5.146) 5.280 14.503 ( 3.330 -2.006 2.344) 4.539 20.940 ( -0.295 0.292 0.864) 0.958 21.037 ( -1.910 0.727 1.039) 2.293 21.661 ( -2.526 -1.137 1.441) 3.123 21.771 ( 0.719 2.483 0.852) 2.722 22.055 ( -0.944 -0.066 -1.440) 1.723 22.136 ( -1.488 -0.416 4.116) 4.397 22.674 ( -0.579 8.854 -0.269) 8.877 22.849 ( 0.379 8.326 -0.164) 8.336 23.466 ( 0.179 -2.001 -0.767) 2.150 23.544 ( -0.826 -1.497 -2.233) 2.812 23.574 ( 0.344 -1.023 -0.324) 1.127 23.649 ( -0.350 1.914 -2.031) 2.812 23.735 ( -0.377 0.692 3.103) 3.202 23.778 ( 3.024 5.402 -5.384) 8.204 24.052 ( 2.532 -1.408 5.492) 6.210 25.301 ( 4.272 -4.499 -3.637) 7.192 ======================= Grid point 77 (35/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -8.695 1.744 -3.635) 9.584 1.499 ( -8.448 5.004 0.781) 9.850 1.662 ( 1.928 -0.872 3.456) 4.052 1.899 ( -3.117 7.936 2.630) 8.923 1.975 ( 3.802 -4.787 -2.387) 6.563 2.125 ( 3.349 1.640 0.402) 3.750 2.191 ( -2.546 2.958 -1.259) 4.101 2.338 ( 0.265 -2.452 -0.266) 2.480 2.527 ( -2.884 -8.431 -0.115) 8.912 2.932 ( -4.483 -0.113 0.638) 4.529 3.022 ( 0.549 0.582 3.631) 3.718 3.197 ( -2.166 13.423 -1.422) 13.671 3.260 ( -0.433 2.832 -1.828) 3.398 3.490 ( -2.860 0.764 -0.456) 2.995 3.578 ( 5.391 -1.208 0.569) 5.554 3.829 ( -3.932 -2.127 -0.496) 4.497 3.971 ( -3.874 8.124 -3.174) 9.543 4.093 ( 0.162 1.962 -6.673) 6.957 4.293 ( -5.938 9.564 -7.230) 13.379 4.382 ( -0.678 -6.333 -7.439) 9.793 4.686 ( 0.201 -3.818 2.281) 4.452 4.703 ( -0.965 0.413 -4.958) 5.068 4.948 ( -3.395 2.959 4.371) 6.276 5.177 ( -6.131 -0.981 -2.854) 6.833 5.575 ( -1.871 4.083 3.862) 5.924 5.673 ( 0.314 7.463 -4.477) 8.709 5.952 ( -0.285 1.582 -0.396) 1.656 6.146 ( 3.596 -7.063 0.589) 7.948 6.211 ( -0.862 -7.559 -2.474) 8.000 6.340 ( -7.992 -2.520 2.483) 8.740 6.476 ( -1.570 5.360 -3.745) 6.724 6.653 ( -3.474 1.044 -5.201) 6.341 6.822 ( 10.646 5.067 3.977) 12.443 7.197 ( -4.967 1.889 -9.675) 11.039 7.543 ( -6.030 -2.733 -0.955) 6.689 7.908 ( 5.064 2.066 -1.759) 5.745 8.427 ( -7.799 -1.144 -3.805) 8.753 8.869 ( 3.904 -8.300 3.747) 9.908 9.221 ( 6.838 3.036 4.781) 8.878 9.384 ( 2.812 6.059 9.460) 11.580 9.657 ( 2.349 4.793 0.968) 5.425 9.747 ( 5.304 5.653 4.409) 8.918 9.854 ( 2.031 1.000 7.811) 8.133 10.420 ( 4.479 -1.430 -1.200) 4.853 10.979 ( -1.498 -1.382 3.738) 4.258 11.053 ( -4.096 0.839 2.805) 5.035 11.517 ( 5.423 -4.158 6.847) 9.673 11.667 ( 5.825 -1.224 -2.645) 6.514 11.997 ( -1.066 -2.757 -7.080) 7.672 12.104 ( -4.054 -2.499 -2.406) 5.336 12.278 ( -4.816 1.020 -2.581) 5.558 12.483 ( 5.665 -0.326 2.923) 6.383 13.939 ( -4.361 -3.143 -1.888) 5.698 14.139 ( -1.901 -0.242 -0.796) 2.075 14.249 ( -4.885 2.195 5.254) 7.502 14.585 ( 0.421 -6.062 6.031) 8.562 20.960 ( 0.407 0.146 1.589) 1.646 21.011 ( -1.330 2.479 0.561) 2.869 21.642 ( -1.537 -0.747 0.910) 1.936 21.824 ( 2.561 0.153 2.296) 3.443 22.041 ( -0.022 1.277 0.798) 1.506 22.171 ( -0.128 2.824 3.889) 4.808 22.643 ( -1.592 6.978 -2.053) 7.446 22.850 ( 0.390 9.299 -0.687) 9.332 23.443 ( -0.334 -3.959 -3.324) 5.181 23.482 ( 0.506 -1.217 -5.000) 5.170 23.541 ( -2.612 3.195 -4.051) 5.783 23.608 ( -1.088 2.500 -2.186) 3.494 23.762 ( 1.593 -2.344 1.876) 3.399 23.799 ( 0.553 3.049 2.312) 3.866 24.133 ( -2.775 -0.572 7.597) 8.108 25.305 ( 1.889 -5.197 -3.881) 6.756 ======================= Grid point 78 (36/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -12.113 6.654 -6.475) 15.262 1.278 ( -13.890 10.021 -4.881) 17.809 1.714 ( -1.887 -2.904 4.959) 6.048 1.888 ( -4.202 7.851 4.049) 9.782 1.970 ( 0.903 -5.707 -4.149) 7.114 2.150 ( -2.156 3.430 0.525) 4.086 2.199 ( 0.633 0.944 1.939) 2.248 2.299 ( -2.299 0.701 -2.495) 3.465 2.417 ( -10.211 -3.763 1.049) 10.933 2.751 ( -11.633 2.651 -3.191) 12.350 3.048 ( -5.789 6.673 -4.911) 10.108 3.110 ( -0.711 2.378 1.477) 2.888 3.286 ( -2.436 -4.437 1.725) 5.348 3.372 ( -5.663 3.434 -3.651) 7.563 3.597 ( -3.655 2.448 -4.866) 6.560 3.727 ( -0.898 2.376 -3.626) 4.427 3.898 ( -1.130 1.452 2.760) 3.317 4.005 ( -7.682 5.216 -1.392) 9.389 4.148 ( -0.409 4.883 -3.746) 6.168 4.271 ( -1.419 -3.087 -6.862) 7.657 4.611 ( -0.122 1.939 -6.180) 6.478 4.726 ( -0.774 -6.840 2.620) 7.365 4.937 ( -0.995 5.838 -0.330) 5.932 5.084 ( -5.014 1.114 4.137) 6.596 5.494 ( -9.951 3.265 -2.818) 10.845 5.614 ( -2.984 3.700 2.931) 5.584 5.908 ( -5.478 -0.577 -0.118) 5.510 6.062 ( -17.439 -0.884 -2.071) 17.584 6.169 ( -0.948 -1.281 -5.554) 5.779 6.215 ( -2.061 -7.933 1.100) 8.270 6.379 ( -2.466 -0.735 -6.798) 7.269 6.588 ( -0.004 -4.187 1.265) 4.374 6.977 ( -3.885 3.482 -9.039) 10.436 7.073 ( 9.336 3.425 4.519) 10.922 7.400 ( -6.025 0.215 -3.499) 6.970 7.983 ( 6.329 0.826 -2.154) 6.736 8.308 ( -4.934 -1.511 1.281) 5.317 8.998 ( 6.746 -10.402 1.987) 12.556 9.352 ( 3.075 1.562 3.393) 4.838 9.572 ( 5.329 9.345 7.023) 12.848 9.732 ( 2.864 7.947 3.714) 9.228 9.896 ( 6.194 6.326 3.227) 9.423 10.037 ( 6.403 -0.024 10.491) 12.291 10.536 ( 11.345 -1.290 -1.518) 11.519 10.986 ( -2.032 1.157 0.478) 2.386 11.032 ( -1.576 0.484 5.050) 5.312 11.652 ( 5.011 -4.606 -2.042) 7.106 11.813 ( 2.591 -1.542 15.295) 15.590 11.898 ( 1.891 -4.160 -10.151) 11.132 11.993 ( -1.224 -2.012 -6.902) 7.293 12.202 ( 0.286 2.420 -3.046) 3.900 12.600 ( 5.195 -1.506 0.865) 5.478 13.800 ( -10.631 -3.751 -0.565) 11.287 14.056 ( -5.785 -0.561 -2.021) 6.154 14.191 ( -9.110 2.612 4.161) 10.350 14.649 ( -4.428 -12.387 8.398) 15.607 20.963 ( 0.713 3.286 -1.468) 3.669 21.059 ( 1.479 2.670 6.763) 7.420 21.634 ( -0.701 0.008 0.798) 1.062 21.887 ( 2.479 -3.631 0.497) 4.424 22.084 ( 1.034 6.192 5.294) 8.212 22.231 ( 1.437 5.463 4.109) 6.985 22.572 ( -2.225 4.964 -4.168) 6.853 22.845 ( 0.704 9.953 -1.605) 10.106 23.372 ( 0.799 -3.775 -8.551) 9.381 23.403 ( -2.088 2.265 -8.218) 8.777 23.458 ( -1.232 0.349 -0.398) 1.340 23.570 ( -1.345 2.572 -0.685) 2.982 23.823 ( -0.554 -0.949 5.194) 5.309 23.837 ( 1.084 -1.201 1.930) 2.518 24.145 ( -7.471 0.041 8.304) 11.170 25.269 ( 0.063 -7.466 -4.892) 8.926 ======================= Grid point 79 (37/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -14.925 13.028 -4.656) 20.351 0.968 ( -14.739 16.105 -5.225) 22.448 1.668 ( -24.462 13.745 -3.600) 28.289 1.754 ( -2.915 -1.824 5.925) 6.850 1.950 ( 3.736 -4.512 -4.175) 7.194 2.058 ( -12.742 1.792 6.335) 14.343 2.151 ( -4.309 1.378 1.899) 4.907 2.292 ( 1.366 2.363 0.224) 2.739 2.325 ( -2.290 0.579 1.999) 3.094 2.584 ( -6.980 1.138 0.396) 7.083 2.812 ( -10.451 5.961 -7.239) 14.042 2.992 ( -9.811 -1.669 -4.864) 11.077 3.100 ( -10.805 -2.791 -8.016) 13.740 3.367 ( 0.717 7.378 5.830) 9.430 3.532 ( 2.382 7.720 -0.485) 8.094 3.706 ( 1.954 -1.934 -1.669) 3.216 3.879 ( -6.066 4.137 0.466) 7.357 3.950 ( -0.498 4.334 4.984) 6.624 4.091 ( -1.269 -0.200 -5.418) 5.568 4.196 ( 1.363 -4.215 -4.665) 6.433 4.545 ( 1.240 6.348 -5.437) 8.449 4.737 ( -2.492 -8.921 3.611) 9.942 4.888 ( -4.508 5.959 -2.441) 7.861 5.072 ( -5.288 6.043 4.322) 9.119 5.283 ( -12.255 0.696 1.674) 12.388 5.611 ( -3.861 0.632 4.409) 5.894 5.708 ( -13.186 -1.171 -2.605) 13.492 5.805 ( -7.556 -1.669 -1.285) 7.844 5.992 ( -6.897 2.255 -8.844) 11.440 6.220 ( -2.564 -8.929 0.157) 9.291 6.300 ( 3.172 -2.244 -2.067) 4.401 6.623 ( -1.917 -12.663 2.076) 12.974 6.805 ( -4.681 4.023 -6.253) 8.786 7.247 ( 7.618 1.829 -5.292) 9.454 7.323 ( 0.658 0.177 2.690) 2.775 8.045 ( 4.591 -1.061 -3.174) 5.681 8.278 ( -4.819 -1.375 6.359) 8.096 9.109 ( 4.294 -13.337 0.678) 14.028 9.425 ( 2.201 3.812 1.781) 4.748 9.688 ( 5.043 12.543 -1.116) 13.565 9.836 ( 2.071 13.555 5.924) 14.937 10.017 ( 5.009 6.267 1.066) 8.093 10.310 ( 7.876 -0.987 13.836) 15.951 10.735 ( 14.853 -0.898 -2.625) 15.110 10.952 ( 0.870 1.960 -1.881) 2.853 11.140 ( 5.105 2.384 6.489) 8.594 11.670 ( 1.554 -3.979 -3.405) 5.463 11.726 ( -6.170 -3.385 -9.473) 11.801 11.894 ( -1.308 -2.176 -3.042) 3.962 12.107 ( 7.213 -4.617 7.464) 11.361 12.242 ( 9.810 2.773 -0.231) 10.197 12.669 ( 3.502 -2.324 -1.273) 4.392 13.572 ( -17.354 -4.433 1.023) 17.940 13.905 ( -8.331 -3.098 -3.424) 9.525 14.062 ( -12.020 1.286 3.847) 12.686 14.601 ( -15.212 -22.055 7.455) 27.811 20.970 ( 3.682 6.031 -3.398) 7.841 21.228 ( 4.026 1.740 13.968) 14.640 21.639 ( -0.479 0.715 1.774) 1.972 21.913 ( 0.640 -5.413 -0.120) 5.452 22.215 ( 2.474 11.913 9.994) 15.746 22.336 ( 6.490 10.940 5.805) 13.982 22.475 ( -1.794 2.960 -5.386) 6.402 22.836 ( 1.358 10.723 -2.369) 11.065 23.248 ( -2.966 0.247 -6.013) 6.709 23.307 ( 3.804 -1.849 -10.707) 11.512 23.440 ( -0.838 -0.030 -0.033) 0.839 23.547 ( -1.208 2.583 0.501) 2.895 23.851 ( -0.828 0.274 1.790) 1.991 23.886 ( 0.172 -4.321 3.470) 5.544 24.102 ( -10.173 0.924 8.975) 13.598 25.164 ( -2.991 -12.032 -10.620) 16.325 ======================= Grid point 80 (38/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -10.524 20.313 5.521) 23.534 0.674 ( -19.581 13.504 4.587) 24.224 1.176 ( -26.111 29.715 7.090) 40.188 1.785 ( -5.144 -1.711 1.310) 5.577 1.889 ( -4.512 -1.726 -2.519) 5.448 1.971 ( 3.910 -1.689 -3.603) 5.578 2.206 ( 0.922 -2.585 1.926) 3.353 2.282 ( -4.070 2.811 -2.543) 5.562 2.315 ( -0.577 4.971 4.389) 6.656 2.453 ( -10.740 4.862 5.807) 13.142 2.663 ( -0.742 -2.946 -2.601) 3.999 2.822 ( -5.989 0.634 1.447) 6.194 2.895 ( -4.538 -4.466 2.958) 7.020 3.434 ( -1.488 10.968 3.451) 11.594 3.623 ( 2.537 -4.149 3.071) 5.752 3.758 ( 1.792 -0.987 -0.849) 2.215 3.903 ( 9.755 8.577 4.115) 13.626 3.952 ( 4.719 3.503 -2.448) 6.367 4.032 ( 0.409 2.349 2.345) 3.344 4.212 ( 5.430 -2.667 0.223) 6.054 4.541 ( 5.671 8.946 -3.845) 11.269 4.658 ( -14.298 -6.293 5.087) 16.429 4.790 ( 2.359 3.882 -5.412) 7.066 4.963 ( -8.932 1.700 0.134) 9.094 5.167 ( -9.102 5.111 6.291) 12.188 5.576 ( -4.063 -7.154 0.681) 8.256 5.628 ( -4.194 1.603 -1.244) 4.659 5.643 ( -4.243 -2.759 1.020) 5.163 5.862 ( -0.529 4.087 -0.706) 4.182 6.112 ( -11.526 -11.420 -3.579) 16.616 6.385 ( 1.795 -5.836 3.108) 6.851 6.469 ( -8.880 -10.046 -9.942) 16.693 6.643 ( -6.321 4.787 -4.460) 9.097 7.257 ( 6.437 0.394 -7.182) 9.652 7.407 ( 2.465 -3.399 1.765) 4.555 8.052 ( 0.852 -4.252 -2.657) 5.086 8.283 ( -5.247 1.093 6.783) 8.645 9.193 ( 3.079 -14.730 4.699) 15.765 9.464 ( 0.611 5.136 0.386) 5.187 9.730 ( 7.126 16.402 -9.428) 20.216 9.928 ( 6.311 16.970 -4.541) 18.666 10.086 ( 2.294 4.785 0.929) 5.387 10.601 ( 4.721 -3.375 8.578) 10.357 10.925 ( 13.294 -0.088 -5.662) 14.450 11.009 ( 6.043 -0.050 0.295) 6.050 11.328 ( 7.137 5.235 -0.464) 8.863 11.480 ( -0.133 0.933 -3.767) 3.883 11.647 ( -0.825 -4.100 -1.605) 4.479 11.853 ( -0.651 -2.518 2.129) 3.361 12.220 ( 0.809 -1.962 3.315) 3.936 12.504 ( 11.503 -3.332 7.272) 14.011 12.694 ( 2.232 -2.589 -1.635) 3.789 13.254 ( -24.361 -4.858 4.637) 25.270 13.681 ( -16.643 -13.629 -1.322) 21.552 13.909 ( -11.497 0.789 4.224) 12.274 14.284 ( -28.696 -18.514 3.859) 34.368 20.985 ( 4.625 6.594 -5.944) 10.010 21.481 ( 3.860 -7.961 9.203) 12.766 21.665 ( -1.558 -0.559 4.789) 5.067 21.922 ( -0.330 -5.805 2.309) 6.257 22.285 ( -1.434 9.684 -1.780) 9.950 22.411 ( -0.209 1.631 1.708) 2.371 22.723 ( 9.349 5.297 5.298) 11.980 22.975 ( 29.863 23.994 17.223) 42.001 23.162 ( -0.853 -0.563 -1.972) 2.221 23.248 ( 4.388 -3.746 -10.736) 12.188 23.424 ( -0.207 0.941 -1.453) 1.743 23.543 ( -0.685 2.221 1.550) 2.794 23.839 ( -0.153 -2.479 -2.339) 3.412 23.921 ( -0.615 -2.291 2.451) 3.411 24.038 ( -12.149 2.054 9.655) 15.654 24.765 ( -18.284 -7.419 -32.657) 38.155 ======================= Grid point 81 (39/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 6.750 18.756 1.566) 19.995 1.077 ( -1.476 15.873 11.748) 19.802 1.614 ( -0.118 5.642 1.331) 5.798 1.677 ( -4.459 -3.809 -9.875) 11.485 1.741 ( -1.859 12.796 2.161) 13.110 2.020 ( 1.163 -1.328 2.037) 2.695 2.086 ( 10.193 -3.081 -4.573) 11.589 2.221 ( -3.306 3.636 -6.515) 8.161 2.428 ( -6.991 3.308 -2.687) 8.188 2.531 ( -0.493 3.091 6.372) 7.099 2.627 ( 4.690 -0.227 0.131) 4.697 2.824 ( 0.516 -0.658 2.221) 2.373 2.928 ( 2.901 3.116 10.489) 11.320 3.450 ( -4.398 -2.077 -4.413) 6.568 3.596 ( 1.045 -8.197 4.006) 9.183 3.664 ( -0.362 -9.374 -6.522) 11.426 3.816 ( 1.268 7.750 4.065) 8.843 4.144 ( -1.283 -0.741 9.122) 9.242 4.197 ( 1.763 6.193 1.834) 6.695 4.316 ( -7.533 -3.011 8.977) 12.100 4.570 ( 4.900 5.304 7.270) 10.247 4.687 ( -2.465 -0.862 -4.109) 4.869 4.828 ( -0.757 -2.359 -0.064) 2.479 4.909 ( 2.561 1.545 -4.722) 5.589 5.302 ( 7.672 1.825 -4.446) 9.053 5.354 ( -4.683 8.067 1.157) 9.399 5.444 ( 0.994 -2.056 1.091) 2.530 5.732 ( -3.039 -1.948 -3.372) 4.940 5.890 ( 6.020 0.000 0.594) 6.049 5.949 ( 3.594 0.602 3.154) 4.819 6.184 ( -0.744 -2.918 1.054) 3.190 6.378 ( -2.334 -4.976 4.942) 7.391 6.790 ( 4.723 10.015 1.534) 11.178 7.254 ( -0.416 -2.452 -3.249) 4.091 7.335 ( 3.843 -4.223 -1.001) 5.797 7.872 ( 0.952 -9.782 -1.912) 10.012 8.354 ( -3.246 5.298 5.168) 8.082 8.974 ( -1.664 -14.741 6.585) 16.230 9.623 ( -0.780 10.125 -0.465) 10.166 9.938 ( 2.775 8.172 -10.029) 13.232 10.055 ( 1.727 6.384 -16.081) 17.388 10.222 ( -1.743 5.277 -1.326) 5.713 10.436 ( -11.103 8.989 -14.106) 20.076 10.972 ( 2.741 -2.992 -6.316) 7.507 11.121 ( 4.220 1.586 0.965) 4.610 11.284 ( -1.340 2.130 -6.113) 6.611 11.497 ( 2.006 -7.253 -2.998) 8.100 11.594 ( 5.973 -4.032 -13.585) 15.378 12.103 ( -2.821 -3.241 18.667) 19.155 12.132 ( -4.617 -1.187 7.457) 8.851 12.631 ( 1.857 -4.556 8.349) 9.691 12.669 ( 3.393 -3.412 3.119) 5.734 13.057 ( -4.183 1.564 6.602) 7.971 13.296 ( -1.302 -5.526 8.686) 10.377 13.892 ( -2.232 3.054 1.943) 4.253 13.995 ( -5.005 -0.566 0.623) 5.076 21.061 ( 1.410 3.777 -4.311) 5.903 21.363 ( -2.946 -5.329 -0.902) 6.156 21.694 ( -1.342 0.659 2.431) 2.854 21.841 ( -0.834 -5.390 3.351) 6.401 22.275 ( -0.752 5.729 -10.110) 11.645 22.597 ( -4.576 3.416 -0.500) 5.732 22.835 ( -0.230 9.181 1.394) 9.289 23.010 ( -2.860 -1.520 -2.883) 4.336 23.149 ( 3.221 -1.796 -0.178) 3.693 23.447 ( 4.284 3.277 -1.654) 5.642 23.557 ( -0.397 2.405 0.753) 2.551 23.626 ( 1.412 -8.267 10.748) 13.633 23.725 ( 2.341 -3.915 -4.491) 6.401 23.811 ( -6.001 -2.089 -0.482) 6.373 24.085 ( -6.648 12.977 -0.166) 14.582 24.566 ( 12.707 0.246 -5.528) 13.860 ======================= Grid point 82 (40/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 6.293 11.151 3.657) 13.316 1.194 ( 13.719 10.790 4.085) 17.925 1.489 ( -1.293 -2.169 -6.766) 7.222 1.741 ( 8.334 -1.466 -2.634) 8.862 1.787 ( 7.934 10.177 1.612) 13.005 2.016 ( -1.587 0.008 -2.462) 2.929 2.102 ( -1.746 1.869 -5.483) 6.050 2.224 ( 6.212 -1.383 0.362) 6.374 2.373 ( 0.308 3.603 5.167) 6.306 2.641 ( 6.170 4.864 5.183) 9.412 2.762 ( 9.091 -6.398 -0.512) 11.128 2.924 ( 9.783 -1.467 0.215) 9.894 3.083 ( 5.951 3.838 3.484) 7.892 3.389 ( -0.520 1.980 2.279) 3.064 3.573 ( 1.097 -9.322 -2.386) 9.685 3.728 ( 0.778 -1.775 4.642) 5.030 3.855 ( 1.130 5.801 1.159) 6.023 4.100 ( -8.276 4.044 2.855) 9.644 4.272 ( -1.647 -1.194 8.195) 8.444 4.382 ( 1.051 2.136 8.322) 8.655 4.580 ( -4.005 -0.227 -1.301) 4.217 4.649 ( -1.109 -0.953 -0.197) 1.475 4.879 ( 10.787 3.847 -0.475) 11.462 4.981 ( 1.286 2.233 3.346) 4.224 5.323 ( 6.610 7.575 4.076) 10.848 5.478 ( 6.877 2.827 -3.699) 8.305 5.537 ( 12.332 0.047 -0.875) 12.363 5.741 ( 5.885 -0.351 -3.125) 6.672 5.944 ( 4.731 -2.937 -1.177) 5.691 6.125 ( 5.388 -0.420 6.658) 8.576 6.226 ( 6.054 -2.812 -1.927) 6.948 6.384 ( -2.465 -1.554 6.592) 7.207 6.954 ( 7.638 5.101 5.620) 10.768 7.181 ( -2.282 -2.507 -4.669) 5.770 7.381 ( 2.664 -1.724 -0.552) 3.221 7.904 ( 5.813 -8.313 -3.203) 10.638 8.361 ( -4.338 5.629 7.115) 10.056 8.976 ( -5.486 -13.008 2.915) 14.415 9.583 ( -2.983 9.236 -1.148) 9.774 9.813 ( -0.645 10.284 -13.242) 16.779 9.876 ( 3.019 6.557 -17.573) 18.998 10.058 ( -7.707 16.359 -10.102) 20.714 10.167 ( -8.363 -0.642 -0.572) 8.407 10.846 ( -7.488 -6.286 -6.328) 11.646 11.110 ( -5.223 1.906 -3.429) 6.533 11.206 ( -1.874 0.869 -0.237) 2.079 11.467 ( 2.417 -3.985 -11.914) 12.793 11.526 ( 3.149 -6.484 -4.531) 8.514 12.055 ( -10.581 -1.041 12.640) 16.517 12.208 ( -4.045 -2.266 3.638) 5.893 12.642 ( -11.700 -5.871 8.093) 15.390 12.692 ( -7.014 -4.252 3.507) 8.920 13.294 ( 16.269 -1.921 8.055) 18.256 13.581 ( 19.108 -8.216 6.110) 21.678 13.937 ( 5.188 2.260 0.107) 5.660 13.995 ( 4.160 -0.087 0.784) 4.234 21.024 ( 0.192 3.443 -3.494) 4.909 21.258 ( -6.143 -1.303 -2.228) 6.663 21.694 ( -2.477 -0.129 2.778) 3.724 21.860 ( -2.110 -7.087 2.997) 7.979 22.155 ( -0.023 6.505 -7.566) 9.978 22.419 ( -7.577 1.348 -6.910) 10.343 22.870 ( -2.903 11.878 6.858) 14.019 22.958 ( 0.638 4.735 -2.266) 5.288 23.248 ( 7.482 -0.253 0.440) 7.499 23.487 ( 2.303 4.313 -1.021) 4.994 23.530 ( -0.098 3.014 0.234) 3.024 23.699 ( 0.742 -1.695 -4.283) 4.665 23.727 ( -8.180 -7.176 12.581) 16.634 23.735 ( 2.309 -2.289 -3.251) 4.597 24.025 ( -0.210 12.850 -1.039) 12.894 24.782 ( 15.990 -8.224 -3.161) 18.257 ======================= Grid point 83 (41/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 3.420 3.002 2.803) 5.345 1.447 ( 1.866 1.338 0.462) 2.343 1.507 ( 10.465 4.314 1.510) 11.420 1.825 ( 5.941 4.748 -3.054) 8.196 1.940 ( 6.687 -1.466 -3.937) 7.897 1.998 ( 8.816 0.511 -3.542) 9.515 2.055 ( 2.411 -1.865 -2.308) 3.823 2.258 ( 1.051 -1.046 -0.662) 1.624 2.464 ( -0.993 3.530 5.611) 6.703 2.815 ( 5.500 -4.371 0.069) 7.026 2.917 ( 11.443 -0.217 0.443) 11.453 3.100 ( 11.984 2.935 -0.425) 12.345 3.260 ( 9.702 2.382 2.616) 10.327 3.430 ( -0.875 5.362 3.793) 6.626 3.607 ( 3.591 -2.456 1.002) 4.465 3.737 ( -2.931 0.700 0.483) 3.052 3.920 ( 4.381 -1.046 0.226) 4.510 4.033 ( -2.288 -0.608 2.325) 3.318 4.341 ( 1.482 0.945 5.234) 5.522 4.475 ( -1.288 1.174 5.410) 5.684 4.540 ( 0.258 3.096 -0.163) 3.111 4.698 ( 4.765 -1.390 4.289) 6.560 4.961 ( -0.759 7.503 0.572) 7.563 5.083 ( 4.392 0.588 6.015) 7.471 5.548 ( 9.885 8.309 0.147) 12.914 5.570 ( 9.066 6.061 -1.664) 11.032 5.735 ( 14.313 -0.941 -2.443) 14.550 5.837 ( 11.873 0.297 -2.283) 12.094 5.990 ( 3.223 -2.656 -2.161) 4.703 6.199 ( -0.609 -2.178 -0.390) 2.294 6.343 ( 8.733 3.066 1.688) 9.408 6.533 ( 6.340 -2.803 8.650) 11.085 7.052 ( -3.330 -1.187 -4.016) 5.351 7.151 ( 4.701 -1.201 4.854) 6.863 7.420 ( 3.245 2.664 -0.705) 4.257 7.941 ( 4.614 -4.576 -5.860) 8.750 8.416 ( -1.389 2.808 10.168) 10.640 8.877 ( -7.831 -9.455 -0.038) 12.277 9.484 ( -5.887 7.648 -3.647) 10.317 9.599 ( -3.307 10.261 -14.527) 18.090 9.754 ( 2.873 5.828 -10.003) 11.928 9.890 ( -2.739 12.893 -4.062) 13.792 10.003 ( -11.407 -1.420 0.224) 11.497 10.626 ( -10.068 -7.531 -3.738) 13.117 10.975 ( -4.084 2.445 -3.429) 5.867 11.144 ( -5.199 -1.154 0.160) 5.328 11.372 ( 1.325 -2.653 -7.241) 7.825 11.529 ( 3.991 -5.611 -5.456) 8.785 12.074 ( -4.615 -1.506 9.416) 10.594 12.170 ( -3.510 -1.694 1.782) 4.285 12.491 ( -14.638 -2.601 6.743) 16.325 12.620 ( -5.769 -3.782 0.556) 6.920 13.625 ( 13.726 -1.630 4.814) 14.637 13.902 ( 13.317 -8.324 -1.645) 15.790 14.041 ( 6.231 1.826 1.826) 6.745 14.147 ( 10.116 -1.701 3.329) 10.784 20.988 ( -0.626 2.435 -1.599) 2.979 21.141 ( -4.631 1.047 -1.440) 4.962 21.681 ( -3.326 -0.993 2.938) 4.547 21.835 ( -3.281 -6.238 0.498) 7.066 22.100 ( 0.471 5.361 -2.143) 5.793 22.244 ( -4.384 2.630 -4.882) 7.069 22.893 ( -2.850 11.344 4.621) 12.576 22.969 ( 3.500 6.692 -1.982) 7.808 23.362 ( 6.285 -1.998 -1.187) 6.701 23.479 ( -0.609 2.577 -0.548) 2.704 23.599 ( 3.041 2.618 3.374) 5.243 23.658 ( -1.071 -1.129 -1.606) 2.236 23.724 ( -5.274 -2.587 5.947) 8.360 23.761 ( 3.758 -5.260 -0.801) 6.514 24.032 ( 3.168 14.872 -2.181) 15.361 24.975 ( 11.664 -10.596 -2.780) 16.002 ======================= Grid point 84 (42/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 6.144 0.477 5.870) 8.511 1.473 ( 0.930 -1.055 1.352) 1.951 1.634 ( 2.906 3.812 0.566) 4.827 1.853 ( 3.211 1.998 -1.363) 4.020 1.986 ( 3.585 -0.958 -2.699) 4.588 2.069 ( 4.915 -0.948 -4.149) 6.501 2.106 ( 2.842 -2.251 1.096) 3.788 2.319 ( 7.041 -2.795 -2.295) 7.916 2.472 ( -3.468 5.902 3.084) 7.508 2.859 ( 3.327 -7.035 -2.675) 8.229 3.013 ( 0.341 2.172 0.692) 2.305 3.330 ( 10.135 0.124 0.961) 10.181 3.390 ( 5.661 6.705 -0.819) 8.813 3.455 ( 0.619 6.067 1.837) 6.369 3.608 ( -6.339 1.787 -1.294) 6.712 3.734 ( 4.981 -0.729 1.708) 5.316 4.006 ( 6.420 -4.331 -1.309) 7.854 4.067 ( 1.828 -6.692 0.851) 6.989 4.459 ( 5.442 2.008 0.602) 5.832 4.494 ( -1.027 2.548 3.908) 4.777 4.573 ( 4.386 5.588 -1.894) 7.352 4.838 ( 0.968 -2.075 6.632) 7.017 4.959 ( -0.824 10.744 2.762) 11.124 5.228 ( 4.587 1.133 4.876) 6.790 5.608 ( 2.909 4.044 -2.301) 5.487 5.695 ( 8.157 4.057 -3.750) 9.852 5.891 ( 8.300 0.744 -4.277) 9.367 6.013 ( 3.187 1.642 -2.863) 4.587 6.046 ( 12.590 -1.355 -3.303) 13.086 6.220 ( 3.552 2.130 3.518) 5.434 6.503 ( 8.246 2.485 0.943) 8.663 6.701 ( 3.593 -1.297 3.600) 5.248 6.927 ( -3.915 3.112 -4.942) 7.031 7.304 ( 5.095 -7.782 6.123) 11.136 7.453 ( 2.252 4.674 -2.593) 5.801 7.921 ( 2.869 -1.646 -6.383) 7.189 8.548 ( 0.194 -0.855 11.355) 11.389 8.741 ( -8.378 -5.361 0.004) 9.946 9.298 ( -5.432 5.063 -9.056) 11.711 9.407 ( -4.038 7.051 -5.278) 9.689 9.716 ( 1.118 5.104 -2.107) 5.634 9.826 ( -1.859 9.773 -1.842) 10.118 9.840 ( -8.445 1.042 3.131) 9.067 10.449 ( -7.561 -6.259 -1.064) 9.873 10.918 ( 0.258 2.087 -0.795) 2.248 11.073 ( -3.707 -2.330 1.095) 4.513 11.330 ( 1.248 -1.573 -3.082) 3.679 11.529 ( 4.818 -5.304 -5.941) 9.309 12.091 ( -2.433 -1.950 1.464) 3.445 12.156 ( -3.724 -3.102 5.221) 7.124 12.367 ( -6.388 0.637 2.707) 6.967 12.517 ( -6.787 -3.018 -0.144) 7.429 13.861 ( 9.413 -1.242 1.989) 9.701 14.011 ( 6.336 -4.160 -3.683) 8.427 14.167 ( 3.410 1.292 4.334) 5.664 14.345 ( 7.260 -3.209 3.207) 8.561 20.964 ( -0.839 1.656 -0.361) 1.891 21.075 ( -2.179 0.697 -0.361) 2.316 21.658 ( -3.374 -1.328 2.450) 4.376 21.786 ( -2.428 -3.826 0.146) 4.533 22.094 ( -0.754 3.374 0.163) 3.461 22.162 ( -0.765 3.278 -1.036) 3.522 22.893 ( -1.346 10.851 1.036) 10.983 23.012 ( 3.132 8.605 -0.391) 9.166 23.435 ( 3.820 -3.947 -0.979) 5.579 23.459 ( -0.540 -0.934 -0.197) 1.097 23.590 ( -3.419 -1.170 -1.196) 3.806 23.684 ( 1.333 1.093 0.750) 1.880 23.713 ( -1.506 -0.237 2.815) 3.202 23.832 ( 4.399 -5.036 -0.777) 6.731 24.074 ( 4.032 17.361 -0.269) 17.825 25.100 ( 7.644 -10.300 -2.737) 13.115 ======================= Grid point 85 (43/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -2.394 -0.228 1.156) 2.669 1.526 ( 1.662 -0.363 6.532) 6.750 1.666 ( 1.159 3.237 0.919) 3.559 1.895 ( 2.941 1.326 -1.997) 3.794 1.979 ( 0.420 -4.799 -1.138) 4.950 2.100 ( 2.565 2.075 -0.108) 3.301 2.190 ( 2.960 -1.299 2.118) 3.865 2.341 ( -0.029 -3.532 -1.939) 4.030 2.463 ( -0.634 6.792 0.832) 6.872 2.882 ( 1.215 -6.589 0.616) 6.728 3.009 ( -0.760 3.370 0.674) 3.520 3.384 ( -0.495 -8.045 -2.129) 8.337 3.395 ( 1.088 6.250 -3.949) 7.472 3.530 ( 2.901 9.374 -2.827) 10.212 3.557 ( 0.641 4.968 4.386) 6.658 3.807 ( 0.401 0.343 1.997) 2.065 4.059 ( 3.348 -6.907 -6.128) 9.822 4.093 ( 0.854 -9.202 1.722) 9.400 4.451 ( -0.006 6.662 -4.336) 7.949 4.559 ( 1.300 5.930 -1.328) 6.214 4.616 ( 3.553 2.950 -1.749) 4.938 4.840 ( -3.745 0.248 -0.892) 3.857 5.007 ( -2.472 9.836 7.492) 12.609 5.291 ( -0.872 0.453 -2.502) 2.688 5.618 ( 2.359 1.682 -2.095) 3.575 5.776 ( 5.309 0.104 -0.666) 5.352 5.952 ( 4.906 2.327 -0.852) 5.496 6.008 ( 1.904 2.440 -4.826) 5.734 6.132 ( 5.332 -2.379 -4.589) 7.426 6.348 ( 1.770 4.210 4.763) 6.599 6.616 ( 6.158 -1.357 -3.854) 7.390 6.719 ( -3.882 0.462 -2.098) 4.437 6.853 ( 2.171 9.009 -0.645) 9.289 7.382 ( -2.243 -5.286 -4.154) 7.087 7.462 ( 2.701 0.486 2.205) 3.520 7.899 ( 3.602 -1.340 -5.215) 6.478 8.590 ( -9.130 -1.656 -1.467) 9.394 8.660 ( -1.844 -4.089 7.743) 8.948 9.180 ( 3.014 3.563 -3.971) 6.128 9.356 ( -0.512 2.913 3.905) 4.899 9.722 ( -1.250 5.056 3.011) 6.016 9.805 ( 1.273 7.339 2.548) 7.872 9.822 ( -1.201 6.226 4.501) 7.776 10.357 ( -2.552 -4.743 -0.008) 5.386 10.937 ( 0.676 0.522 1.231) 1.499 11.054 ( -2.356 -2.034 3.510) 4.692 11.343 ( 2.806 -1.741 0.108) 3.304 11.550 ( 5.741 -5.059 -4.566) 8.911 12.039 ( -2.584 -2.035 -2.731) 4.275 12.126 ( -5.472 -3.280 2.091) 6.713 12.368 ( 2.175 0.519 0.802) 2.375 12.406 ( -5.859 -0.972 0.758) 5.987 13.951 ( 2.182 -1.068 -3.072) 3.916 14.077 ( 3.846 -3.700 0.601) 5.370 14.251 ( -0.566 1.753 5.674) 5.965 14.450 ( 1.120 -3.287 2.780) 4.449 20.956 ( -0.049 1.368 0.426) 1.434 21.050 ( -0.758 0.212 -0.141) 0.800 21.635 ( -2.561 -1.069 1.973) 3.405 21.768 ( -0.919 -3.291 1.217) 3.627 22.085 ( 0.054 4.569 0.742) 4.629 22.179 ( 0.183 3.032 3.382) 4.546 22.872 ( -0.866 10.210 -1.659) 10.380 23.054 ( 1.457 10.741 0.842) 10.872 23.409 ( -0.293 -4.068 -3.994) 5.708 23.507 ( 0.714 -2.351 -1.687) 2.981 23.527 ( -0.635 -2.564 2.185) 3.428 23.675 ( -0.321 1.551 -1.441) 2.141 23.742 ( -0.533 0.148 1.928) 2.006 23.849 ( 2.211 -2.962 -4.760) 6.027 24.154 ( 1.835 14.815 4.286) 15.532 25.159 ( 3.876 -9.928 -3.178) 11.121 ======================= Grid point 86 (44/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -6.471 1.946 0.085) 6.758 1.562 ( -3.893 -0.060 2.703) 4.739 1.683 ( -2.096 3.533 1.830) 4.497 1.880 ( 0.130 -3.135 -1.830) 3.633 2.030 ( 3.151 1.674 1.202) 3.765 2.121 ( -1.895 -2.330 1.558) 3.384 2.212 ( -0.095 3.054 1.725) 3.509 2.361 ( 2.563 0.631 -0.110) 2.642 2.441 ( -3.693 1.748 0.750) 4.154 2.896 ( -0.874 -4.795 -0.525) 4.902 3.018 ( 0.214 0.400 1.267) 1.346 3.321 ( -0.213 3.223 -3.553) 4.802 3.380 ( -1.864 -5.641 -1.506) 6.129 3.477 ( -3.449 9.852 -4.824) 11.499 3.629 ( 2.346 3.744 2.630) 5.141 3.810 ( -2.394 0.292 2.129) 3.217 3.985 ( -0.934 -3.060 -7.450) 8.108 4.116 ( -1.635 -8.986 2.086) 9.369 4.364 ( -2.369 8.805 -6.449) 11.168 4.462 ( -6.680 7.050 -6.376) 11.617 4.634 ( -0.085 -0.500 -0.955) 1.082 4.743 ( -2.866 0.477 -3.944) 4.898 5.045 ( -3.708 8.979 7.533) 12.293 5.171 ( -4.583 0.503 -5.372) 7.079 5.634 ( 0.454 0.294 0.470) 0.717 5.818 ( -1.145 4.487 -2.609) 5.315 5.973 ( 1.613 -5.092 -3.180) 6.217 6.026 ( 1.803 2.413 1.562) 3.393 6.122 ( 2.017 -0.385 -6.105) 6.441 6.335 ( -9.744 2.849 2.547) 10.467 6.578 ( -5.732 4.368 -5.338) 8.968 6.585 ( -0.988 -5.575 -6.882) 8.912 6.964 ( 7.137 5.818 3.150) 9.732 7.226 ( -4.946 0.020 -8.628) 9.945 7.487 ( -2.921 -0.812 1.200) 3.261 7.921 ( 5.583 -1.801 -3.737) 6.955 8.417 ( -7.771 0.747 -2.641) 8.241 8.706 ( 0.501 -7.608 3.604) 8.433 9.276 ( 7.060 3.134 2.597) 8.149 9.483 ( 6.185 1.867 8.042) 10.316 9.769 ( 2.768 6.785 3.454) 8.101 9.901 ( 2.725 3.562 6.486) 7.886 9.919 ( 4.001 10.393 6.886) 13.094 10.368 ( 3.792 -3.825 0.238) 5.391 10.963 ( 0.056 0.055 2.827) 2.828 11.060 ( -2.853 -0.172 3.679) 4.659 11.430 ( 5.034 -3.746 3.268) 7.075 11.608 ( 4.982 -4.746 -0.170) 6.883 11.946 ( -2.554 -1.766 -5.222) 6.076 12.043 ( -4.234 -3.318 -2.319) 5.858 12.307 ( -2.815 1.939 -1.883) 3.902 12.463 ( 4.126 -1.755 2.308) 5.043 13.894 ( -4.196 -0.825 -2.799) 5.111 14.099 ( -1.362 -3.946 -1.391) 4.400 14.291 ( -4.514 1.862 6.932) 8.479 14.462 ( -4.264 -5.238 4.195) 7.951 20.973 ( 0.960 1.223 0.989) 1.843 21.051 ( 1.160 0.988 0.277) 1.549 21.626 ( -1.512 -0.491 2.028) 2.577 21.778 ( 0.326 -4.210 1.018) 4.343 22.129 ( 1.720 6.676 4.062) 8.001 22.239 ( 0.409 3.393 5.435) 6.420 22.821 ( -1.107 9.977 -4.041) 10.821 23.075 ( -0.519 11.865 1.218) 11.939 23.343 ( 0.452 -5.621 -6.697) 8.755 23.465 ( 0.598 -0.059 -3.177) 3.233 23.577 ( -1.405 -1.787 2.981) 3.749 23.650 ( -0.328 2.339 -1.758) 2.944 23.711 ( -0.094 -1.994 -4.257) 4.701 23.836 ( -0.436 -1.669 0.931) 1.960 24.215 ( -2.371 11.136 5.872) 12.811 25.150 ( 0.365 -10.390 -3.945) 11.120 ======================= Grid point 87 (45/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -8.917 6.660 -0.467) 11.139 1.472 ( -6.106 7.784 -3.889) 10.630 1.661 ( -4.320 -1.378 4.855) 6.643 1.866 ( 1.975 -3.782 -3.954) 5.817 2.048 ( -1.439 6.368 2.301) 6.922 2.128 ( -3.014 -4.179 3.200) 6.065 2.254 ( -0.164 3.819 3.509) 5.189 2.346 ( -4.725 3.547 0.645) 5.943 2.382 ( -4.171 -0.782 1.134) 4.392 2.791 ( -6.987 1.814 -5.935) 9.345 3.012 ( -2.870 -6.941 -1.024) 7.581 3.238 ( -7.468 1.421 -4.070) 8.623 3.314 ( -8.090 10.517 -5.264) 14.274 3.336 ( 0.882 -3.597 0.444) 3.730 3.687 ( 2.601 4.350 -0.702) 5.116 3.750 ( -6.738 -1.891 -0.751) 7.038 3.923 ( 0.004 0.830 1.399) 1.626 4.071 ( -6.561 -1.904 1.313) 6.957 4.223 ( -2.619 4.359 -9.117) 10.439 4.272 ( -5.040 6.583 -3.965) 9.190 4.584 ( -2.715 -5.929 -1.708) 6.741 4.680 ( -0.497 0.206 -2.621) 2.675 5.056 ( -3.058 5.072 1.372) 6.079 5.114 ( -1.351 4.189 7.027) 8.291 5.615 ( -8.337 7.934 -5.939) 12.951 5.656 ( -3.593 0.453 -1.620) 3.967 5.946 ( -7.950 4.140 -2.975) 9.444 6.011 ( 0.443 -8.487 1.070) 8.565 6.093 ( -10.133 0.547 -2.605) 10.477 6.131 ( -3.090 -1.010 -2.043) 3.840 6.387 ( -7.514 0.541 -8.935) 11.687 6.464 ( -4.639 -6.818 -2.922) 8.749 7.020 ( -2.850 -0.143 -5.721) 6.393 7.157 ( 5.948 3.225 1.564) 6.945 7.418 ( -3.860 3.286 -1.870) 5.404 7.969 ( 4.641 -3.472 -3.304) 6.671 8.296 ( -4.536 1.530 0.215) 4.791 8.774 ( 2.950 -11.288 1.953) 11.829 9.424 ( 6.042 5.285 3.252) 8.661 9.711 ( 8.640 2.917 6.516) 11.208 9.902 ( 7.373 8.722 4.370) 12.229 10.059 ( 4.529 2.702 9.155) 10.565 10.075 ( 5.330 10.307 5.048) 12.654 10.488 ( 10.460 -3.704 -0.174) 11.098 11.026 ( 1.254 2.868 2.980) 4.322 11.051 ( -0.001 1.480 2.512) 2.916 11.549 ( 5.066 -4.976 -0.164) 7.103 11.729 ( 3.854 -7.005 7.691) 11.094 11.833 ( -3.961 -1.442 -3.053) 5.205 11.938 ( -2.038 -3.320 -5.442) 6.692 12.267 ( 1.724 4.008 -2.795) 5.182 12.550 ( 4.171 -3.481 0.217) 5.437 13.744 ( -10.743 -1.218 -1.681) 10.942 13.996 ( -7.365 -5.457 -3.515) 9.817 14.247 ( -9.472 2.596 4.654) 10.868 14.423 ( -9.790 -8.242 7.865) 15.021 21.007 ( 2.170 1.845 0.237) 2.858 21.108 ( 3.778 1.088 2.597) 4.712 21.634 ( -0.621 0.240 2.124) 2.226 21.798 ( 0.860 -4.808 0.359) 4.898 22.245 ( 2.898 8.320 8.832) 12.475 22.328 ( 1.682 3.985 6.228) 7.583 22.737 ( -0.940 10.658 -6.498) 12.518 23.069 ( -1.699 10.885 0.956) 11.058 23.266 ( 2.153 -5.815 -9.113) 11.022 23.435 ( 0.008 0.997 -5.428) 5.519 23.505 ( -3.742 2.833 -2.570) 5.351 23.626 ( -0.798 2.997 -0.631) 3.165 23.716 ( 1.579 -6.854 1.494) 7.190 23.843 ( -1.534 -1.729 2.546) 3.439 24.219 ( -6.152 8.976 6.475) 12.663 25.074 ( -2.765 -11.599 -5.214) 13.014 ======================= Grid point 88 (46/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -9.893 13.488 -0.364) 16.731 1.285 ( -8.186 15.289 -6.828) 18.638 1.675 ( -2.097 -4.512 6.742) 8.379 1.861 ( 3.613 -3.409 -4.792) 6.902 2.012 ( -11.948 12.706 0.065) 17.441 2.029 ( -9.602 -2.481 0.921) 9.960 2.198 ( -9.044 3.645 4.630) 10.794 2.331 ( 0.197 1.992 2.995) 3.602 2.357 ( 0.804 1.082 1.369) 1.922 2.617 ( -5.983 3.948 -1.425) 7.308 2.872 ( -9.675 -3.373 -2.946) 10.661 2.999 ( -10.255 -1.928 -8.506) 13.463 3.089 ( -11.310 7.362 -4.575) 14.250 3.397 ( 2.336 -3.412 3.128) 5.185 3.649 ( -3.775 -1.734 2.121) 4.665 3.706 ( 1.369 4.463 -1.902) 5.041 3.971 ( -0.653 2.842 3.748) 4.749 3.998 ( -2.224 1.396 3.699) 4.536 4.073 ( -3.740 0.874 -8.381) 9.219 4.203 ( 0.685 6.109 -1.722) 6.384 4.548 ( -0.531 -8.493 0.507) 8.525 4.631 ( -1.433 -1.167 -2.603) 3.192 5.018 ( -5.013 4.984 1.224) 7.174 5.201 ( -1.541 5.120 8.319) 9.889 5.310 ( -12.376 5.064 -8.889) 16.057 5.591 ( -6.866 -0.608 -1.173) 6.992 5.748 ( -9.972 3.400 0.149) 10.536 5.839 ( -8.821 5.481 -3.372) 10.919 6.019 ( -5.595 0.116 -7.129) 9.063 6.045 ( -3.207 -8.122 1.939) 8.945 6.221 ( 0.298 -5.669 -3.413) 6.624 6.377 ( -4.534 -10.823 -0.503) 11.745 6.899 ( -3.275 4.750 -5.230) 7.788 7.256 ( 3.002 -4.156 0.986) 5.221 7.338 ( -0.873 5.319 -4.469) 7.002 7.972 ( 0.202 -6.947 -2.980) 7.562 8.279 ( -0.978 2.498 3.960) 4.783 8.834 ( 1.897 -13.526 1.577) 13.749 9.548 ( 4.329 8.094 2.499) 9.514 9.883 ( 6.674 5.704 1.043) 8.841 10.090 ( 7.026 10.517 4.082) 13.290 10.181 ( 2.198 7.700 2.271) 8.324 10.306 ( 11.775 2.449 8.583) 14.776 10.694 ( 14.675 -3.496 -1.163) 15.130 11.014 ( 1.193 4.412 -2.283) 5.109 11.211 ( 9.834 3.951 4.822) 11.643 11.582 ( 1.548 -4.067 -2.667) 5.103 11.652 ( -5.103 -3.379 -8.753) 10.680 11.838 ( -3.198 -3.066 -0.793) 4.501 11.993 ( 5.012 -6.642 12.036) 14.632 12.307 ( 7.061 3.786 -1.825) 8.218 12.601 ( 3.282 -4.325 -1.804) 5.721 13.499 ( -17.480 -1.995 0.013) 17.593 13.764 ( -14.936 -9.095 -4.238) 17.993 14.114 ( -12.213 3.170 3.845) 13.191 14.312 ( -15.587 -7.373 8.024) 19.018 21.048 ( 3.250 2.832 -1.208) 4.477 21.231 ( 5.311 -1.504 4.322) 7.010 21.655 ( -0.115 0.865 2.118) 2.291 21.812 ( 0.206 -4.684 0.453) 4.711 22.408 ( -0.281 5.547 9.849) 11.307 22.469 ( 5.615 5.916 6.535) 10.451 22.660 ( 3.425 12.248 -4.437) 13.470 23.054 ( -1.287 8.198 1.666) 8.464 23.190 ( 2.444 -4.838 -9.270) 10.738 23.308 ( -1.142 1.416 -9.242) 9.419 23.475 ( 0.463 2.859 -0.736) 2.988 23.608 ( -1.636 3.574 1.032) 4.064 23.754 ( 1.105 -7.199 0.048) 7.283 23.850 ( -1.529 -2.332 3.055) 4.136 24.185 ( -7.642 8.420 7.190) 13.453 24.921 ( -6.177 -11.720 -8.392) 15.683 ======================= Grid point 89 (47/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -12.653 16.269 4.010) 20.996 1.051 ( -7.858 20.369 -2.270) 21.950 1.720 ( -12.364 7.359 1.737) 14.493 1.751 ( -1.249 6.406 1.599) 6.720 1.809 ( -4.330 -2.642 -1.902) 5.417 1.960 ( 2.331 3.066 -1.750) 4.230 2.117 ( -4.014 -5.342 -3.880) 7.727 2.336 ( -0.965 1.902 -3.705) 4.275 2.427 ( 1.730 3.806 4.749) 6.327 2.561 ( -7.893 5.725 8.813) 13.143 2.678 ( -5.035 3.643 -6.974) 9.341 2.815 ( -3.348 -3.816 1.943) 5.436 2.870 ( -9.271 4.833 0.218) 10.457 3.467 ( 1.295 -9.591 3.909) 10.437 3.643 ( -2.633 -2.329 -7.221) 8.031 3.693 ( 1.174 3.117 6.220) 7.056 3.867 ( -6.731 -2.975 -8.099) 10.943 4.032 ( 3.709 2.215 3.687) 5.680 4.103 ( 2.624 5.012 7.104) 9.081 4.252 ( 2.712 3.726 5.800) 7.408 4.510 ( -3.602 -2.002 -0.246) 4.129 4.650 ( 4.755 -1.817 1.630) 5.345 4.905 ( -7.565 2.529 -0.751) 8.012 5.031 ( -5.546 5.528 -9.614) 12.399 5.247 ( -2.514 3.800 4.149) 6.163 5.460 ( -4.964 -3.188 -0.826) 5.957 5.582 ( -11.558 0.974 -3.741) 12.187 5.752 ( 1.387 4.486 3.833) 6.061 5.893 ( -5.186 -2.691 -3.734) 6.934 5.960 ( -3.949 -2.794 -2.170) 5.301 6.213 ( -3.876 -7.457 1.820) 8.599 6.326 ( 1.181 -6.832 1.290) 7.052 6.792 ( -2.565 8.906 -3.076) 9.765 7.285 ( 0.091 0.552 -2.453) 2.516 7.296 ( 3.489 -4.548 -2.564) 6.280 7.916 ( -2.522 -9.416 -1.963) 9.943 8.328 ( -0.682 3.715 4.606) 5.956 8.897 ( 1.003 -14.264 5.209) 15.219 9.617 ( 1.372 9.750 0.943) 9.892 9.963 ( 5.614 6.940 -5.034) 10.248 10.178 ( 1.848 7.401 -7.059) 10.393 10.211 ( 2.610 7.025 1.066) 7.570 10.579 ( 7.928 1.863 1.070) 8.214 10.904 ( 12.588 -2.545 -3.607) 13.339 11.041 ( 4.875 3.689 -1.548) 6.306 11.383 ( 3.334 0.343 -10.050) 10.594 11.501 ( 6.650 -2.434 -5.691) 9.085 11.574 ( 2.794 -0.415 -0.617) 2.891 11.820 ( -2.423 0.409 10.550) 10.832 12.156 ( -2.443 -4.462 8.557) 9.955 12.462 ( 9.104 -0.557 3.231) 9.677 12.625 ( 2.592 -4.051 -1.521) 5.044 13.193 ( -19.994 -0.791 3.936) 20.393 13.442 ( -18.953 -8.937 1.263) 20.992 13.966 ( -10.022 3.551 3.237) 11.114 14.131 ( -14.304 -3.074 4.489) 15.304 21.074 ( 2.808 3.471 -3.118) 5.446 21.352 ( 2.907 -5.477 2.570) 6.712 21.679 ( -0.368 1.001 2.215) 2.459 21.820 ( -0.583 -4.433 1.716) 4.789 22.408 ( -0.891 4.082 -7.878) 8.918 22.564 ( -0.970 10.902 8.678) 13.968 22.812 ( 5.426 4.226 1.588) 7.058 23.081 ( -0.691 -5.036 -0.686) 5.130 23.142 ( -0.105 -1.118 -0.435) 1.204 23.272 ( 12.413 2.446 -2.142) 12.832 23.481 ( 2.251 3.238 -1.325) 4.160 23.596 ( -2.226 3.155 2.092) 4.391 23.748 ( 0.925 -5.624 -3.130) 6.502 23.863 ( -1.914 -3.891 2.463) 4.987 24.158 ( -6.243 9.600 6.765) 13.300 24.662 ( -7.268 -4.303 -13.018) 15.518 ======================= Grid point 90 (48/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 4.304 15.647 -0.231) 16.230 1.361 ( -1.605 11.293 1.831) 11.553 1.520 ( 1.098 -9.306 -2.536) 9.708 1.568 ( -6.096 -6.882 -1.619) 9.335 1.929 ( 7.383 2.816 -3.903) 8.813 1.979 ( 5.321 -2.913 -1.389) 6.223 2.149 ( 0.391 7.840 -2.876) 8.360 2.250 ( -0.871 -1.660 -7.767) 7.990 2.483 ( -6.963 2.956 0.569) 7.586 2.539 ( -1.765 -1.974 3.454) 4.352 2.674 ( 1.064 4.428 -0.257) 4.561 2.769 ( 0.025 -4.245 1.745) 4.590 3.103 ( 0.009 11.981 10.800) 16.131 3.350 ( -0.873 -10.685 8.336) 13.580 3.425 ( -0.691 -2.482 -4.402) 5.101 3.482 ( 0.721 -6.824 -3.801) 7.845 3.991 ( -0.125 7.152 7.134) 10.103 4.095 ( -0.418 -3.580 8.259) 9.011 4.332 ( -2.408 4.396 3.148) 5.919 4.375 ( 4.025 5.243 0.511) 6.630 4.600 ( -5.062 0.935 -2.775) 5.848 4.728 ( -11.420 -1.548 3.281) 11.982 4.742 ( 11.243 0.607 0.677) 11.280 4.865 ( 2.135 -5.369 1.863) 6.071 5.373 ( 3.714 5.269 -3.848) 7.507 5.455 ( 3.561 0.713 0.747) 3.707 5.463 ( 0.367 3.694 -1.651) 4.063 5.605 ( 1.714 -8.736 -1.126) 8.973 5.901 ( 4.314 1.369 -3.003) 5.432 5.936 ( 3.248 -1.494 -3.373) 4.915 6.213 ( -2.674 4.085 8.607) 9.895 6.290 ( -2.508 -3.621 9.585) 10.549 6.967 ( 2.046 7.244 0.544) 7.547 7.117 ( -0.639 -8.338 -0.188) 8.365 7.404 ( 3.578 9.484 -3.495) 10.722 7.642 ( 1.942 -12.726 -2.398) 13.095 8.493 ( -2.431 8.707 6.236) 10.982 8.703 ( -2.085 -12.189 7.129) 14.274 9.832 ( -0.708 9.822 -1.677) 9.990 9.977 ( 0.728 -3.741 -5.599) 6.773 10.178 ( 0.299 5.758 -11.882) 13.207 10.254 ( -1.354 -1.357 -6.082) 6.377 10.661 ( -2.440 11.405 -11.615) 16.460 10.860 ( -0.087 -8.132 -7.039) 10.755 11.194 ( 2.934 5.794 -0.314) 6.502 11.339 ( 2.564 -7.931 -1.077) 8.405 11.365 ( 1.812 5.587 -11.487) 12.902 11.490 ( 4.184 -6.170 -13.115) 15.086 12.081 ( -6.926 0.594 14.876) 16.421 12.106 ( -5.188 -1.467 10.527) 11.828 12.591 ( 1.084 -0.139 3.638) 3.799 12.613 ( 2.357 -2.141 2.672) 4.157 13.107 ( -1.757 3.434 6.794) 7.813 13.191 ( -0.279 -4.865 7.563) 8.997 13.944 ( -2.994 2.146 1.378) 3.933 13.978 ( -3.931 -1.221 0.914) 4.216 21.146 ( 0.408 4.843 -2.771) 5.595 21.252 ( -0.471 -5.607 -1.807) 5.910 21.710 ( -1.533 1.272 2.014) 2.833 21.754 ( -1.344 -3.245 2.136) 4.111 22.414 ( -1.007 7.797 -9.023) 11.968 22.560 ( -3.466 -5.863 -7.427) 10.078 23.017 ( 0.473 2.248 -1.922) 2.995 23.040 ( -2.255 4.736 1.583) 5.479 23.140 ( 5.203 6.022 7.506) 10.940 23.372 ( 3.570 -11.929 11.097) 16.679 23.546 ( 2.291 3.568 -2.931) 5.154 23.615 ( -0.298 -1.493 -1.163) 1.916 23.673 ( -0.188 1.420 -1.395) 2.000 23.744 ( -3.610 -3.991 0.862) 5.450 24.332 ( -1.443 10.927 -1.438) 11.115 24.505 ( 4.157 -6.076 -3.133) 8.000 ======================= Grid point 91 (49/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -4.102 5.770 0.213) 7.082 1.418 ( -3.606 -4.305 -3.952) 6.867 1.444 ( 17.067 11.630 -1.037) 20.679 1.637 ( 13.252 -7.342 -2.114) 15.297 1.974 ( 6.383 6.379 -8.070) 12.106 2.032 ( 1.585 0.603 -3.235) 3.653 2.128 ( 0.767 0.945 -8.140) 8.230 2.182 ( 1.457 -3.118 0.770) 3.527 2.451 ( -1.154 5.584 6.259) 8.466 2.597 ( 1.083 -7.674 3.945) 8.697 2.753 ( 10.001 4.348 0.604) 10.922 2.854 ( 9.433 -5.233 1.207) 10.854 3.207 ( 3.389 8.279 3.152) 9.485 3.384 ( 2.523 -9.038 1.201) 9.460 3.469 ( 4.741 5.732 4.266) 8.575 3.603 ( 5.721 -7.377 5.100) 10.637 4.013 ( -4.610 6.724 1.990) 8.392 4.110 ( -7.136 -2.946 2.189) 8.024 4.330 ( -1.284 6.311 4.617) 7.925 4.475 ( 3.012 -3.678 2.797) 5.516 4.489 ( -3.684 3.468 2.940) 5.852 4.615 ( -2.785 -4.279 1.117) 5.226 4.943 ( 7.773 3.507 4.979) 9.875 5.001 ( 4.538 -1.264 3.906) 6.119 5.452 ( 10.649 5.863 0.452) 12.165 5.528 ( 11.811 0.166 -3.418) 12.296 5.579 ( 7.290 3.746 0.129) 8.197 5.681 ( 8.191 -5.311 -2.951) 10.199 5.946 ( 5.760 2.024 -2.137) 6.468 6.017 ( 7.234 -5.740 0.812) 9.270 6.278 ( -0.754 5.180 7.475) 9.125 6.360 ( -1.961 -1.882 9.639) 10.015 7.019 ( 1.232 1.807 2.188) 3.094 7.086 ( -2.139 -5.366 -1.078) 5.876 7.466 ( 7.862 9.620 -2.505) 12.674 7.695 ( 7.588 -11.900 -2.594) 14.349 8.511 ( -4.900 9.265 6.913) 12.556 8.725 ( -5.253 -11.829 6.021) 14.275 9.768 ( -3.533 8.317 -2.965) 9.510 9.883 ( -1.614 -2.399 -7.979) 8.487 10.022 ( -0.755 7.409 -12.419) 14.481 10.130 ( -4.296 -3.148 -6.267) 8.225 10.404 ( -7.107 15.889 -13.092) 21.780 10.675 ( -7.863 -11.029 -9.582) 16.591 11.178 ( -3.607 4.624 -5.272) 7.886 11.229 ( -2.516 0.745 -5.169) 5.797 11.384 ( 2.593 -3.571 -8.123) 9.245 11.393 ( 3.617 -5.448 -3.599) 7.464 12.068 ( -9.947 2.378 12.069) 15.820 12.139 ( -7.271 -4.173 8.925) 12.245 12.579 ( -8.107 -0.140 4.803) 9.424 12.616 ( -5.377 -3.284 2.637) 6.830 13.326 ( 14.687 4.139 6.688) 16.660 13.435 ( 15.253 -6.461 6.437) 17.772 13.973 ( 4.586 1.332 0.311) 4.785 13.991 ( 4.205 -0.490 0.837) 4.315 21.103 ( -0.990 4.526 -2.923) 5.478 21.196 ( -2.595 -4.363 -2.563) 5.687 21.700 ( -2.846 1.117 2.330) 3.844 21.749 ( -2.465 -3.941 2.097) 5.100 22.292 ( -0.648 6.674 -7.788) 10.277 22.399 ( -3.710 -3.440 -7.762) 9.265 23.020 ( 2.825 2.843 -1.874) 4.424 23.039 ( -0.023 2.309 1.615) 2.818 23.307 ( 3.423 7.854 5.299) 10.074 23.508 ( -0.830 -9.508 4.404) 10.511 23.566 ( 3.277 3.153 -0.503) 4.575 23.609 ( -2.048 0.311 5.215) 5.612 23.652 ( 1.460 -1.053 -2.998) 3.497 23.693 ( -3.746 -2.883 1.795) 5.056 24.320 ( 3.093 14.863 -2.082) 15.323 24.587 ( 8.826 -11.535 -2.292) 14.704 ======================= Grid point 92 (50/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.750 3.377 0.508) 3.837 1.370 ( 1.082 -4.757 -0.519) 4.906 1.669 ( 7.840 7.549 0.122) 10.885 1.800 ( 5.990 -5.742 -0.368) 8.306 1.968 ( 2.279 4.817 -4.476) 6.959 2.031 ( 6.209 -0.872 -5.383) 8.264 2.083 ( 6.898 5.449 -6.514) 10.941 2.212 ( 3.589 -5.073 -1.805) 6.471 2.515 ( 0.071 3.333 4.283) 5.428 2.637 ( 3.959 -8.544 -2.127) 9.654 2.984 ( 9.687 3.960 4.077) 11.231 3.075 ( 10.835 -4.812 2.558) 12.129 3.334 ( 9.152 6.900 1.382) 11.545 3.486 ( 7.306 -6.391 1.885) 9.888 3.600 ( 1.899 6.702 5.320) 8.765 3.709 ( -0.199 -3.650 1.950) 4.143 3.940 ( -1.810 2.671 -1.563) 3.586 3.996 ( -4.872 -2.570 -1.096) 5.616 4.386 ( 1.856 3.369 3.575) 5.251 4.460 ( -2.607 -3.059 3.881) 5.588 4.602 ( 3.522 3.476 4.543) 6.717 4.666 ( 3.266 -2.368 5.741) 7.017 5.092 ( 3.058 3.777 2.283) 5.370 5.106 ( 5.121 1.421 4.811) 7.168 5.641 ( 2.661 2.348 -1.611) 3.897 5.671 ( 6.962 1.580 -2.418) 7.538 5.748 ( 18.372 2.726 -2.848) 18.790 5.801 ( 14.348 -2.717 -2.181) 14.765 6.038 ( 6.628 4.894 -0.410) 8.249 6.140 ( 5.650 -4.621 1.460) 7.443 6.391 ( 4.676 4.926 5.456) 8.712 6.502 ( 4.926 -2.761 8.692) 10.366 7.017 ( -1.904 -0.986 -1.985) 2.922 7.060 ( -0.375 -5.079 1.976) 5.463 7.571 ( 7.444 10.583 -2.425) 13.164 7.788 ( 7.377 -10.104 -4.081) 13.159 8.519 ( -4.114 7.222 7.427) 11.147 8.688 ( -6.251 -9.225 4.346) 11.961 9.635 ( -8.224 6.759 -3.993) 11.369 9.717 ( -7.078 -0.115 -8.909) 11.379 9.866 ( -0.267 6.236 -8.880) 10.854 9.964 ( -5.838 -3.010 -5.573) 8.614 10.176 ( -4.943 14.462 -6.739) 16.703 10.438 ( -7.851 -11.340 -5.745) 14.941 11.038 ( -3.888 3.715 -4.320) 6.898 11.109 ( -4.490 -2.780 -3.780) 6.495 11.345 ( 1.917 0.840 -4.238) 4.727 11.413 ( 3.190 -5.309 -3.811) 7.272 12.069 ( -5.977 1.239 9.037) 10.906 12.118 ( -6.124 -3.145 6.304) 9.335 12.479 ( -8.545 1.562 2.969) 9.180 12.539 ( -6.081 -3.958 0.912) 7.313 13.642 ( 14.223 3.272 3.650) 15.044 13.746 ( 14.071 -6.792 1.803) 15.728 14.081 ( 6.555 2.024 1.721) 7.073 14.118 ( 7.590 -1.592 2.741) 8.225 21.051 ( -1.462 3.634 -2.020) 4.407 21.120 ( -2.742 -2.771 -2.134) 4.444 21.677 ( -3.515 0.899 2.524) 4.420 21.726 ( -3.174 -4.094 1.876) 5.509 22.211 ( -0.030 4.749 -4.399) 6.473 22.268 ( -2.094 -0.700 -5.247) 5.693 23.058 ( 1.553 4.227 1.378) 4.709 23.075 ( 3.370 3.203 -0.212) 4.655 23.360 ( 2.697 3.379 -3.364) 5.478 23.476 ( -0.817 -5.067 -4.424) 6.776 23.626 ( -2.954 0.849 3.917) 4.979 23.645 ( 2.612 1.921 2.577) 4.142 23.680 ( 0.218 -1.692 3.687) 4.062 23.680 ( -2.184 -3.265 4.576) 6.030 24.378 ( 6.402 18.164 -1.944) 19.357 24.717 ( 9.437 -15.169 -1.865) 17.962 ======================= Grid point 93 (51/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 4.949 1.341 4.745) 6.986 1.426 ( 2.827 -2.683 3.094) 4.976 1.714 ( 0.647 4.157 -1.536) 4.479 1.830 ( 0.072 -7.405 -1.091) 7.485 1.975 ( 2.677 7.549 -0.715) 8.041 2.084 ( 4.032 -2.412 0.447) 4.719 2.136 ( 6.283 4.690 -5.257) 9.440 2.249 ( 4.022 -5.345 -3.845) 7.715 2.572 ( 1.407 4.541 2.543) 5.392 2.687 ( 4.623 -7.689 -2.156) 9.227 3.098 ( 1.675 4.861 0.846) 5.211 3.207 ( 2.426 -6.652 1.008) 7.152 3.513 ( 8.493 5.986 -0.449) 10.400 3.609 ( 1.411 4.616 -0.147) 4.829 3.639 ( -3.395 -0.972 -1.460) 3.822 3.677 ( 3.269 -3.644 5.709) 7.520 3.941 ( 2.152 -0.986 -1.367) 2.733 3.957 ( 0.290 -2.866 -0.882) 3.013 4.484 ( 4.504 0.657 1.712) 4.863 4.496 ( 1.640 -0.649 4.076) 4.441 4.712 ( 4.950 6.038 1.265) 7.910 4.797 ( 2.916 -2.593 4.513) 5.966 5.172 ( 3.299 7.781 1.641) 8.609 5.240 ( 4.764 -0.163 3.098) 5.685 5.633 ( -0.041 0.253 -1.512) 1.534 5.678 ( 1.019 -3.689 -3.092) 4.920 5.933 ( 9.696 3.903 -4.081) 11.220 6.010 ( 10.306 -2.928 -5.145) 11.885 6.145 ( 7.455 8.857 -1.045) 11.624 6.281 ( 9.723 -1.465 0.978) 9.881 6.528 ( 4.337 5.564 2.751) 7.572 6.679 ( 5.375 -4.070 3.849) 7.763 6.977 ( 0.292 3.206 -1.081) 3.396 7.104 ( 1.560 -9.521 3.841) 10.385 7.622 ( 3.566 10.333 -4.401) 11.784 7.819 ( 4.179 -8.298 -6.163) 11.149 8.567 ( -2.441 2.679 8.200) 8.965 8.642 ( -5.784 -4.514 4.272) 8.490 9.401 ( -9.013 4.988 -7.247) 12.595 9.471 ( -8.569 -0.987 -6.655) 10.894 9.812 ( -0.058 4.213 -0.643) 4.262 9.856 ( -2.493 0.025 0.015) 2.493 10.061 ( -3.224 12.211 -1.685) 12.741 10.287 ( -5.456 -9.914 -1.227) 11.383 10.966 ( -1.345 2.545 -0.621) 2.945 11.020 ( -2.907 -2.827 -0.384) 4.073 11.332 ( 2.358 2.195 -3.441) 4.713 11.415 ( 3.593 -5.553 -4.385) 7.936 12.072 ( -3.545 0.194 3.215) 4.790 12.099 ( -4.515 -2.318 4.792) 6.980 12.395 ( -4.501 2.168 1.488) 5.213 12.451 ( -5.177 -3.288 0.304) 6.140 13.864 ( 9.209 1.646 0.669) 9.379 13.924 ( 7.918 -4.057 -1.540) 9.030 14.211 ( 4.248 2.937 3.946) 6.500 14.277 ( 5.551 -3.468 4.031) 7.686 21.010 ( -1.036 2.784 -1.050) 3.150 21.062 ( -1.600 -1.952 -1.324) 2.850 21.651 ( -3.284 0.883 2.542) 4.245 21.699 ( -2.894 -3.830 2.126) 5.250 22.179 ( 0.035 3.536 -1.160) 3.722 22.207 ( -0.110 0.760 -1.468) 1.656 23.085 ( -0.510 7.555 1.226) 7.670 23.141 ( 4.629 3.054 -0.462) 5.565 23.359 ( 2.924 -1.909 -3.677) 5.071 23.405 ( 0.581 -4.497 -5.711) 7.292 23.610 ( -3.206 3.647 2.178) 5.322 23.697 ( 0.565 -2.531 2.260) 3.440 23.704 ( -0.572 0.667 2.149) 2.322 23.730 ( -0.474 -3.435 3.387) 4.847 24.465 ( 6.041 20.117 -1.316) 21.045 24.835 ( 7.198 -16.188 -1.841) 17.812 ======================= Grid point 94 (52/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -1.544 0.871 3.408) 3.842 1.510 ( 0.323 -1.041 6.015) 6.113 1.713 ( 1.533 2.637 -0.112) 3.053 1.814 ( 0.780 -7.631 -1.267) 7.775 2.011 ( 1.348 8.254 0.303) 8.368 2.131 ( 0.102 -0.995 0.773) 1.264 2.201 ( 4.960 0.766 -0.005) 5.019 2.257 ( 3.245 -4.063 -2.033) 5.583 2.597 ( -1.288 5.879 0.868) 6.081 2.724 ( 1.399 -7.540 -0.036) 7.669 3.104 ( -0.162 5.030 -0.671) 5.078 3.216 ( -0.521 -7.034 -0.675) 7.085 3.517 ( 0.074 5.089 -3.626) 6.249 3.583 ( -0.158 -0.747 -1.923) 2.069 3.685 ( 1.794 4.975 2.955) 6.058 3.789 ( 1.251 -4.095 2.858) 5.148 3.941 ( 1.340 -2.400 -2.601) 3.784 3.957 ( 0.750 -3.050 -0.300) 3.155 4.533 ( 0.410 2.791 -0.000) 2.821 4.579 ( 2.206 -1.425 0.331) 2.647 4.762 ( 1.463 6.501 -3.058) 7.332 4.831 ( -1.904 -1.090 -1.138) 2.472 5.223 ( 0.572 8.350 0.960) 8.425 5.299 ( 0.231 -0.152 -1.937) 1.956 5.605 ( 0.226 -0.578 -2.581) 2.655 5.675 ( 0.885 -6.589 0.338) 6.657 6.011 ( 5.584 3.047 -2.593) 6.870 6.059 ( 5.450 -1.251 -5.268) 7.683 6.211 ( 3.593 10.125 -3.527) 11.307 6.407 ( 4.511 -6.644 -2.443) 8.394 6.588 ( 0.944 8.492 0.305) 8.550 6.742 ( 0.960 -2.532 -2.744) 3.855 7.001 ( 1.426 6.252 1.203) 6.524 7.167 ( -1.127 -11.270 3.231) 11.778 7.605 ( 2.495 10.035 -4.847) 11.420 7.801 ( 3.827 -8.215 -6.027) 10.884 8.578 ( -7.063 0.347 1.748) 7.284 8.600 ( -4.263 -1.921 4.968) 6.822 9.260 ( 0.728 4.572 -2.027) 5.054 9.346 ( -0.690 -3.273 0.674) 3.413 9.831 ( -0.296 4.632 4.068) 6.172 9.868 ( 0.056 1.110 4.379) 4.517 10.035 ( 0.051 10.910 2.359) 11.163 10.228 ( -1.609 -8.158 1.373) 8.428 10.958 ( -0.710 1.617 1.541) 2.344 11.003 ( -1.349 -2.723 3.036) 4.296 11.347 ( 3.699 2.488 -2.037) 4.902 11.436 ( 4.749 -5.762 -3.173) 8.113 12.027 ( -3.381 0.802 -1.051) 3.630 12.064 ( -4.531 -2.688 1.099) 5.382 12.375 ( -0.285 0.360 0.873) 0.987 12.386 ( -2.969 -0.827 1.040) 3.253 13.952 ( 2.775 1.274 -2.375) 3.868 14.001 ( 3.503 -3.428 -0.824) 4.970 14.302 ( -0.225 3.287 5.167) 6.128 14.376 ( 0.123 -3.893 4.072) 5.635 20.994 ( 0.100 2.260 -0.288) 2.280 21.036 ( -0.035 -1.605 -0.703) 1.752 21.634 ( -2.429 1.216 2.554) 3.728 21.686 ( -2.005 -3.823 2.415) 4.947 22.187 ( 0.730 4.096 1.804) 4.535 22.222 ( 0.683 0.598 2.568) 2.724 23.068 ( -0.762 9.125 -2.128) 9.401 23.196 ( 1.416 -0.252 -0.006) 1.438 23.334 ( 2.406 -0.027 -5.324) 5.842 23.412 ( 4.068 -5.328 -0.883) 6.762 23.570 ( -3.451 5.923 0.195) 6.858 23.706 ( -1.102 -0.098 0.853) 1.397 23.725 ( -1.242 -5.608 -1.098) 5.848 23.738 ( -0.196 -1.452 2.750) 3.116 24.529 ( 2.801 20.053 -0.636) 20.257 24.898 ( 3.382 -16.108 -2.302) 16.619 ======================= Grid point 95 (53/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -5.420 2.732 2.359) 6.512 1.521 ( -4.788 -3.159 3.751) 6.854 1.748 ( 0.061 2.874 1.766) 3.374 1.822 ( 0.851 -4.015 -0.957) 4.214 2.043 ( 0.958 4.015 2.159) 4.658 2.118 ( -1.566 -1.256 0.396) 2.046 2.269 ( 2.464 2.244 1.819) 3.796 2.322 ( 3.313 -2.890 1.032) 4.516 2.551 ( -4.678 7.435 -0.155) 8.786 2.726 ( -1.401 -9.798 0.010) 9.898 3.088 ( -0.554 4.759 -1.627) 5.059 3.196 ( -0.349 -6.801 -1.242) 6.923 3.472 ( -0.410 5.708 -4.179) 7.086 3.551 ( 0.068 -1.571 -4.407) 4.680 3.702 ( -3.658 4.004 3.594) 6.507 3.792 ( -3.714 -3.533 1.734) 5.411 3.937 ( 1.853 0.325 -1.875) 2.656 3.984 ( 1.818 -3.650 1.034) 4.207 4.483 ( -4.157 4.058 -2.604) 6.366 4.538 ( -6.406 -0.456 -2.634) 6.941 4.679 ( -3.902 3.503 -5.750) 7.782 4.724 ( -4.830 -1.383 -4.829) 6.969 5.202 ( -3.060 4.225 -2.214) 5.667 5.233 ( -2.943 4.041 -0.423) 5.017 5.609 ( 2.262 0.478 0.326) 2.334 5.722 ( 2.859 -8.754 2.259) 9.481 6.006 ( -0.830 4.427 -7.416) 8.677 6.068 ( 3.285 -1.006 -5.233) 6.260 6.191 ( -2.250 7.881 -2.185) 8.482 6.366 ( -4.600 -6.587 -3.330) 8.697 6.545 ( -5.036 6.796 -3.128) 9.018 6.639 ( -5.329 0.045 -7.449) 9.160 7.026 ( -0.216 2.316 1.093) 2.571 7.134 ( -4.346 -7.795 1.132) 8.996 7.601 ( 2.838 10.664 -3.559) 11.595 7.813 ( 4.992 -8.879 -4.525) 11.146 8.467 ( -6.002 4.114 -0.772) 7.318 8.570 ( -2.884 -5.984 1.559) 6.823 9.357 ( 7.732 4.856 3.651) 9.833 9.453 ( 7.408 -3.985 5.616) 10.114 9.908 ( 3.317 5.807 4.956) 8.324 9.959 ( 3.078 0.967 6.238) 7.024 10.118 ( 3.312 8.753 5.669) 10.942 10.266 ( 3.037 -6.276 2.681) 7.470 10.986 ( 0.943 2.208 3.351) 4.122 11.038 ( -0.220 -2.249 4.293) 4.851 11.403 ( 3.995 1.721 0.787) 4.421 11.491 ( 4.060 -6.136 0.133) 7.358 11.938 ( -3.796 1.010 -3.430) 5.215 11.979 ( -4.372 -2.841 -2.500) 5.782 12.356 ( -0.329 2.846 -0.396) 2.893 12.415 ( 2.090 -2.894 1.184) 3.761 13.913 ( -3.530 2.728 -2.821) 5.278 13.998 ( -2.212 -5.322 -2.185) 6.163 14.331 ( -4.898 2.269 6.332) 8.321 14.383 ( -5.509 -3.034 4.691) 7.846 21.008 ( 1.517 2.075 0.338) 2.592 21.045 ( 1.876 -1.367 -0.069) 2.323 21.635 ( -1.353 1.577 2.627) 3.350 21.691 ( -0.873 -3.920 2.182) 4.571 22.250 ( 1.681 4.407 5.245) 7.054 22.286 ( 0.975 0.738 5.488) 5.623 23.016 ( -0.531 9.091 -4.356) 10.095 23.172 ( -1.139 -5.735 -3.058) 6.599 23.340 ( 3.507 8.027 -3.409) 9.400 23.481 ( 3.911 -5.501 0.909) 6.811 23.505 ( -2.583 4.026 -1.773) 5.102 23.636 ( -3.581 -6.186 -4.779) 8.599 23.709 ( -1.290 2.665 1.376) 3.265 23.766 ( -1.295 -3.343 3.382) 4.929 24.536 ( -1.309 18.467 -0.169) 18.514 24.888 ( -0.716 -15.763 -2.940) 16.051 ======================= Grid point 96 (54/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -5.644 5.141 3.221) 8.285 1.492 ( -3.541 -3.967 3.499) 6.366 1.728 ( -3.571 5.746 -0.365) 6.775 1.815 ( 0.831 -2.693 -2.340) 3.663 2.067 ( -1.677 0.415 1.129) 2.064 2.107 ( -0.364 -0.867 -0.352) 1.004 2.325 ( 0.763 2.264 3.031) 3.859 2.359 ( -0.210 -1.404 0.552) 1.523 2.461 ( -7.800 8.914 3.970) 12.492 2.679 ( -4.313 -11.499 0.757) 12.305 3.006 ( -5.702 5.519 -4.640) 9.192 3.139 ( -4.831 -7.458 -3.566) 9.574 3.404 ( -1.279 5.541 -3.542) 6.700 3.453 ( -5.009 2.114 -5.790) 7.943 3.673 ( -6.774 -0.742 4.611) 8.228 3.720 ( -4.505 -2.864 0.540) 5.365 3.962 ( 1.673 3.272 0.756) 3.752 4.023 ( 0.451 -2.416 1.511) 2.885 4.332 ( -7.364 4.416 -7.039) 11.103 4.375 ( -3.727 1.653 -3.085) 5.113 4.522 ( -5.419 1.460 -5.262) 7.693 4.617 ( -2.976 -5.441 -2.534) 6.699 5.131 ( -3.806 4.568 1.486) 6.128 5.201 ( -4.045 0.104 4.139) 5.788 5.666 ( 1.123 3.610 1.945) 4.252 5.773 ( -4.821 0.523 -2.377) 5.401 5.851 ( 0.551 -0.454 -6.034) 6.076 5.976 ( -3.986 -5.186 -10.252) 12.161 6.096 ( -5.661 5.125 0.097) 7.637 6.202 ( -10.630 -0.573 -0.410) 10.654 6.344 ( -10.153 1.102 -8.311) 13.167 6.408 ( -9.066 -1.420 -8.390) 12.433 7.020 ( -0.736 1.724 -0.725) 2.009 7.112 ( -1.110 -6.055 2.432) 6.619 7.588 ( 0.624 12.038 -3.860) 12.658 7.825 ( 1.939 -10.418 -3.840) 11.271 8.388 ( -2.433 7.139 -0.243) 7.546 8.561 ( -0.107 -9.853 0.780) 9.884 9.551 ( 8.760 6.974 4.389) 12.027 9.679 ( 10.125 -5.006 5.693) 12.649 10.066 ( 7.331 6.446 5.840) 11.375 10.116 ( 5.254 1.360 7.136) 8.965 10.256 ( 5.972 7.373 3.707) 10.187 10.388 ( 8.610 -6.032 1.508) 10.620 11.084 ( 5.344 2.098 3.937) 6.961 11.090 ( 1.781 1.747 1.562) 2.943 11.490 ( 3.481 0.208 2.248) 4.149 11.575 ( 2.681 -7.303 4.637) 9.057 11.830 ( -4.563 1.029 -1.778) 5.004 11.872 ( -3.659 -2.965 -3.500) 5.868 12.360 ( 2.446 5.122 -1.754) 5.941 12.464 ( 3.179 -4.991 -0.650) 5.953 13.763 ( -10.505 3.162 -2.780) 11.317 13.865 ( -9.545 -6.597 -3.710) 12.182 14.289 ( -9.471 1.643 5.781) 11.217 14.325 ( -9.793 -2.524 6.921) 12.255 21.050 ( 2.849 2.468 0.582) 3.814 21.097 ( 3.721 -1.836 0.806) 4.226 21.653 ( -0.395 1.775 2.494) 3.086 21.709 ( 0.024 -3.803 1.719) 4.174 22.370 ( 2.061 3.565 8.797) 9.713 22.386 ( 1.962 1.543 6.912) 7.349 22.950 ( 0.316 9.591 -5.790) 11.207 23.110 ( -0.294 -6.516 -4.683) 8.030 23.308 ( -1.069 9.787 -5.597) 11.325 23.450 ( -2.476 -0.867 -4.852) 5.516 23.520 ( -1.858 -1.138 -1.045) 2.416 23.558 ( 3.896 -6.486 0.386) 7.576 23.702 ( -2.179 3.616 2.017) 4.679 23.777 ( -2.069 -3.889 3.057) 5.362 24.488 ( -4.323 16.168 0.401) 16.741 24.808 ( -3.872 -14.993 -3.495) 15.874 ======================= Grid point 97 (55/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -4.641 10.040 3.060) 11.476 1.495 ( -0.504 -0.776 1.554) 1.808 1.627 ( -7.373 5.227 -0.707) 9.066 1.772 ( -2.265 -6.176 -4.388) 7.907 2.001 ( -4.231 1.803 -2.432) 5.203 2.070 ( -1.244 -3.386 -3.681) 5.154 2.335 ( -7.062 3.344 3.820) 8.698 2.359 ( -1.021 -0.090 1.036) 1.457 2.429 ( -3.048 9.901 7.636) 12.870 2.629 ( -5.934 -7.456 5.479) 10.992 2.824 ( -7.099 4.165 -2.800) 8.694 2.939 ( -10.555 -5.097 -5.678) 13.024 3.238 ( -10.379 5.970 -6.283) 13.522 3.325 ( -3.491 -3.306 -4.505) 6.589 3.609 ( -6.546 1.502 6.297) 9.207 3.704 ( -2.849 -5.340 3.493) 6.988 3.985 ( -2.002 2.083 0.576) 2.946 4.028 ( -0.561 -1.159 -1.347) 1.863 4.188 ( 0.600 9.273 -4.003) 10.118 4.349 ( 4.176 0.766 -0.030) 4.246 4.407 ( -1.644 -0.168 -3.603) 3.964 4.543 ( -2.054 -6.588 -1.964) 7.175 5.087 ( -7.523 3.651 3.887) 9.221 5.179 ( -7.838 -4.581 5.419) 10.573 5.520 ( -8.114 11.175 -8.180) 16.051 5.624 ( -6.633 2.345 -4.020) 8.103 5.780 ( -7.719 -1.121 -3.782) 8.668 5.855 ( -5.338 -8.426 0.605) 9.992 5.968 ( -4.450 5.200 -4.761) 8.337 6.069 ( -5.608 2.029 -9.247) 11.003 6.102 ( -3.405 -2.063 3.704) 5.438 6.214 ( -4.975 -6.190 -2.169) 8.232 6.989 ( -0.994 4.996 -1.793) 5.400 7.122 ( -0.519 -7.838 0.783) 7.894 7.524 ( -2.047 12.090 -4.327) 13.003 7.775 ( -2.420 -12.043 -3.204) 12.695 8.386 ( 0.648 7.873 2.044) 8.160 8.582 ( 0.873 -11.460 1.738) 11.624 9.729 ( 6.313 9.243 3.241) 11.653 9.884 ( 7.320 -5.129 2.944) 9.410 10.247 ( 5.088 4.494 3.843) 7.801 10.264 ( 2.332 2.016 4.469) 5.429 10.434 ( 14.191 8.100 0.406) 16.345 10.590 ( 14.206 -6.861 0.123) 15.777 11.126 ( 3.499 6.382 -2.337) 7.644 11.234 ( 8.753 -2.956 -0.658) 9.262 11.555 ( 3.099 1.969 -1.196) 3.862 11.602 ( 0.212 -1.921 -7.571) 7.814 11.795 ( -4.395 -0.335 5.291) 6.886 11.856 ( 0.358 -6.131 13.182) 14.542 12.396 ( 4.946 5.038 -2.141) 7.377 12.502 ( 3.645 -5.384 -2.104) 6.834 13.506 ( -16.800 2.683 -1.457) 17.075 13.601 ( -16.435 -6.659 -3.050) 17.993 14.172 ( -12.103 2.630 5.017) 13.363 14.224 ( -12.684 -2.827 6.615) 14.582 21.108 ( 3.328 3.378 0.097) 4.743 21.179 ( 4.293 -3.388 1.092) 5.577 21.679 ( 0.043 1.730 2.105) 2.725 21.730 ( 0.082 -3.385 1.425) 3.674 22.492 ( 0.939 3.784 6.296) 7.405 22.540 ( 3.348 0.038 9.052) 9.651 22.900 ( 2.528 10.566 -4.705) 11.839 23.056 ( 1.112 -5.487 -4.756) 7.346 23.203 ( -2.711 4.811 -4.849) 7.349 23.297 ( -5.030 -3.281 -6.097) 8.558 23.534 ( 1.838 3.108 -0.387) 3.632 23.617 ( 2.560 -5.638 -0.082) 6.192 23.689 ( -2.126 4.326 1.915) 5.186 23.777 ( -2.060 -4.351 2.693) 5.516 24.419 ( -4.738 13.524 1.171) 14.378 24.683 ( -5.190 -12.481 -4.141) 14.138 ======================= Grid point 98 (56/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -7.572 16.021 2.068) 17.840 1.405 ( -5.440 14.474 -2.802) 15.714 1.588 ( -1.649 -12.286 2.427) 12.632 1.627 ( -6.052 -8.280 -2.287) 10.508 1.919 ( -0.481 2.881 -3.832) 4.818 1.993 ( -0.803 -4.544 -5.026) 6.823 2.216 ( -6.922 11.571 0.107) 13.484 2.340 ( -0.589 -2.016 -3.494) 4.076 2.494 ( 0.927 4.327 3.707) 5.773 2.595 ( -5.640 -3.776 2.184) 7.130 2.737 ( -7.666 2.493 -0.170) 8.063 2.774 ( -4.358 -0.891 5.892) 7.382 3.033 ( -5.380 10.831 0.140) 12.094 3.257 ( -0.514 -11.015 2.495) 11.306 3.546 ( -6.678 -0.474 -1.818) 6.937 3.642 ( -8.062 -8.324 -1.567) 11.694 3.924 ( -1.917 5.822 1.961) 6.436 4.014 ( -0.304 -2.918 3.662) 4.692 4.260 ( 5.625 9.135 1.631) 10.851 4.361 ( -0.215 3.407 -0.962) 3.547 4.509 ( 10.424 0.035 2.405) 10.698 4.559 ( 4.601 -4.617 3.573) 7.433 4.928 ( -13.737 2.265 -0.469) 13.930 5.021 ( -11.926 -5.477 -2.290) 13.322 5.392 ( -0.483 8.551 -2.777) 9.004 5.464 ( -4.832 2.176 -3.288) 6.237 5.589 ( -8.793 -0.777 -3.079) 9.349 5.680 ( -8.286 -8.996 -2.569) 12.497 5.899 ( 0.389 4.149 -3.138) 5.217 5.960 ( 1.683 -0.770 -6.352) 6.616 6.146 ( -1.806 0.653 8.061) 8.287 6.205 ( -0.265 -4.652 6.092) 7.669 6.956 ( 0.053 7.553 -1.523) 7.706 7.120 ( 0.186 -8.958 -0.253) 8.964 7.436 ( -1.356 11.059 -4.128) 11.882 7.687 ( -3.026 -12.847 -2.581) 13.449 8.441 ( 0.473 7.721 4.442) 8.920 8.636 ( 0.483 -11.619 4.977) 12.649 9.826 ( 2.380 10.189 0.807) 10.494 9.985 ( 3.711 -4.531 -1.279) 5.994 10.282 ( 0.739 3.749 -5.281) 6.518 10.309 ( 1.594 1.736 -2.415) 3.375 10.672 ( 11.668 6.745 -2.219) 13.658 10.813 ( 11.615 -6.388 -1.662) 13.360 11.156 ( 3.521 7.389 -2.222) 8.481 11.313 ( 3.964 -7.358 -3.455) 9.044 11.480 ( 1.975 2.609 -12.083) 12.519 11.550 ( 5.697 -3.193 -10.926) 12.729 11.900 ( -0.672 6.718 17.072) 18.358 12.042 ( -1.388 -6.782 13.475) 15.149 12.479 ( 6.673 2.178 0.373) 7.030 12.542 ( 4.019 -3.899 -0.997) 5.688 13.216 ( -16.841 2.861 2.628) 17.283 13.301 ( -16.650 -5.552 1.681) 17.631 14.032 ( -10.360 2.901 3.385) 11.278 14.083 ( -11.356 -2.253 3.830) 12.194 21.150 ( 2.269 4.352 -1.334) 5.086 21.247 ( 2.586 -5.168 -0.049) 5.779 21.702 ( -0.360 1.478 1.832) 2.381 21.745 ( -0.514 -2.969 1.678) 3.449 22.517 ( -0.296 6.727 -4.096) 7.881 22.644 ( -0.379 -4.061 1.282) 4.275 22.957 ( 4.578 10.243 3.980) 11.904 23.038 ( 0.179 0.455 -1.048) 1.156 23.115 ( -2.910 -0.811 -2.471) 3.902 23.212 ( 2.211 -7.651 1.236) 8.059 23.547 ( 1.674 3.821 -2.118) 4.678 23.631 ( 0.206 -3.925 -1.027) 4.063 23.684 ( -0.504 3.519 0.477) 3.586 23.774 ( -2.275 -4.711 2.130) 5.649 24.371 ( -2.832 10.538 1.029) 10.960 24.551 ( -3.262 -7.210 -4.731) 9.220 ======================= Grid point 126 (57/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.529 0.000 10.528) 10.541 0.834 ( -3.357 0.000 18.294) 18.599 1.422 ( -5.731 0.000 -15.829) 16.834 1.580 ( -3.884 0.000 24.506) 24.811 1.726 ( 6.117 0.000 3.565) 7.080 1.989 ( 7.014 0.000 -0.555) 7.036 2.136 ( -5.560 0.000 -0.619) 5.594 2.138 ( -4.531 0.000 -2.679) 5.263 2.174 ( 1.901 0.000 -4.853) 5.212 2.569 ( 1.905 0.000 5.784) 6.090 2.741 ( 2.027 0.000 0.685) 2.140 2.864 ( 7.410 0.000 0.754) 7.448 2.958 ( -1.694 0.000 -4.735) 5.029 3.562 ( -4.790 0.000 4.588) 6.633 3.626 ( -0.100 0.000 -9.888) 9.889 3.773 ( 3.207 0.000 0.398) 3.232 3.851 ( -3.317 0.000 6.256) 7.081 4.071 ( 10.076 0.000 2.052) 10.283 4.266 ( -0.074 0.000 -11.522) 11.522 4.397 ( -2.699 0.000 -6.890) 7.400 4.542 ( 6.167 0.000 6.274) 8.798 4.572 ( -6.453 0.000 5.182) 8.276 4.802 ( -2.208 0.000 2.026) 2.996 5.054 ( -6.177 0.000 8.826) 10.773 5.212 ( 15.931 0.000 2.095) 16.068 5.261 ( -19.075 0.000 0.546) 19.082 5.463 ( -3.401 0.000 -1.772) 3.835 5.694 ( 0.678 0.000 -5.235) 5.278 5.875 ( 6.905 0.000 6.802) 9.693 5.921 ( 5.076 0.000 2.551) 5.681 6.306 ( 3.165 0.000 -0.585) 3.218 6.402 ( -4.731 0.000 -2.669) 5.432 6.769 ( 6.419 0.000 11.444) 13.121 7.143 ( 1.535 0.000 -2.564) 2.989 7.544 ( -1.474 0.000 1.465) 2.078 7.977 ( 1.541 0.000 -8.471) 8.610 8.428 ( -9.093 0.000 11.394) 14.577 9.135 ( 5.441 0.000 -9.668) 11.094 9.325 ( 1.476 0.000 -10.687) 10.789 9.367 ( -0.100 0.000 -7.442) 7.443 9.618 ( -5.241 0.000 -1.084) 5.352 9.867 ( -9.562 0.000 -10.789) 14.416 10.394 ( -9.869 0.000 5.162) 11.138 10.906 ( 7.138 0.000 -5.324) 8.905 11.169 ( 8.121 0.000 2.826) 8.599 11.283 ( -10.045 0.000 0.755) 10.074 11.362 ( 7.818 0.000 -12.550) 14.786 11.587 ( 2.159 0.000 -7.040) 7.363 12.218 ( 3.889 0.000 1.388) 4.130 12.276 ( -2.728 0.000 -0.950) 2.888 12.775 ( 2.178 0.000 3.490) 4.114 13.069 ( -1.075 0.000 2.003) 2.273 13.537 ( 16.391 0.000 9.886) 19.142 13.737 ( 3.635 0.000 -0.181) 3.640 13.907 ( -22.640 0.000 0.427) 22.644 13.963 ( -2.866 0.000 3.602) 4.604 20.887 ( 0.617 0.000 3.721) 3.772 21.436 ( -10.423 0.000 -8.209) 13.268 21.697 ( -0.827 0.000 0.859) 1.192 22.019 ( -3.317 0.000 -5.660) 6.561 22.351 ( -1.675 0.000 8.519) 8.682 22.389 ( 1.751 0.000 0.658) 1.870 22.675 ( 3.301 0.000 -2.640) 4.227 22.743 ( -37.208 0.000 1.973) 37.260 23.156 ( 3.455 0.000 0.688) 3.523 23.199 ( 9.192 0.000 -3.398) 9.800 23.471 ( -0.838 0.000 -0.234) 0.870 23.554 ( 1.135 0.000 1.005) 1.516 23.759 ( 0.836 0.000 -5.143) 5.210 23.862 ( -1.025 0.000 -4.357) 4.476 24.172 ( -13.967 0.000 10.615) 17.543 24.364 ( 39.381 0.000 4.796) 39.672 ======================= Grid point 127 (58/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 28.459 0.000 4.884) 28.875 0.972 ( 2.385 0.000 7.263) 7.644 1.345 ( 10.610 0.000 -2.543) 10.911 1.653 ( -2.059 0.000 1.142) 2.355 1.917 ( 2.951 0.000 2.198) 3.680 1.981 ( -1.946 0.000 -4.837) 5.214 2.097 ( 3.294 0.000 0.511) 3.333 2.162 ( 6.271 0.000 0.263) 6.276 2.284 ( 6.894 0.000 8.923) 11.276 2.662 ( 2.464 0.000 2.998) 3.880 2.797 ( 7.150 0.000 -1.411) 7.288 2.903 ( -2.237 0.000 0.631) 2.324 3.040 ( 14.278 0.000 -3.511) 14.704 3.507 ( -2.358 0.000 -5.849) 6.307 3.534 ( -3.518 0.000 3.532) 4.984 3.847 ( 1.243 0.000 2.933) 3.186 3.860 ( -2.925 0.000 3.155) 4.302 3.993 ( -9.969 0.000 4.662) 11.005 4.284 ( -0.224 0.000 -6.960) 6.964 4.340 ( 19.433 0.000 -5.789) 20.276 4.610 ( 2.008 0.000 6.276) 6.589 4.638 ( -5.140 0.000 6.782) 8.509 4.936 ( 11.645 0.000 4.971) 12.661 4.983 ( -9.632 0.000 3.963) 10.415 5.196 ( 2.037 0.000 4.822) 5.234 5.386 ( -4.087 0.000 -2.710) 4.904 5.526 ( 17.788 0.000 -4.652) 18.386 5.686 ( 8.412 0.000 -3.851) 9.251 6.020 ( 2.780 0.000 2.739) 3.903 6.033 ( 6.498 0.000 -3.168) 7.229 6.327 ( -0.281 0.000 -1.654) 1.678 6.425 ( 10.109 0.000 1.192) 10.179 7.021 ( 7.280 0.000 9.914) 12.300 7.103 ( -3.670 0.000 -1.247) 3.876 7.513 ( -2.434 0.000 0.588) 2.504 7.892 ( 1.916 0.000 -9.689) 9.877 8.491 ( -2.032 0.000 14.041) 14.187 9.119 ( 4.342 0.000 -8.344) 9.406 9.165 ( 0.011 0.000 -14.002) 14.002 9.281 ( -0.568 0.000 -7.547) 7.569 9.546 ( -1.606 0.000 -0.018) 1.607 9.636 ( -4.927 0.000 -4.994) 7.015 10.304 ( -12.878 0.000 7.553) 14.930 10.901 ( -1.747 0.000 -3.423) 3.843 11.077 ( -13.390 0.000 -0.766) 13.412 11.217 ( -0.605 0.000 -3.574) 3.625 11.367 ( 4.358 0.000 -1.982) 4.788 11.526 ( 3.513 0.000 -10.272) 10.856 12.200 ( -2.637 0.000 -1.932) 3.269 12.243 ( -3.130 0.000 3.792) 4.917 12.808 ( -4.104 0.000 3.745) 5.556 12.932 ( -15.256 0.000 1.874) 15.371 13.734 ( -3.143 0.000 4.005) 5.091 13.841 ( 7.820 0.000 0.379) 7.830 13.941 ( 21.371 0.000 -0.710) 21.383 14.022 ( 3.468 0.000 4.261) 5.494 20.961 ( 1.054 0.000 5.772) 5.868 21.171 ( -10.458 0.000 -3.429) 11.006 21.724 ( 0.268 0.000 2.642) 2.655 21.888 ( -3.578 0.000 -5.883) 6.885 22.323 ( -14.570 0.000 3.237) 14.926 22.388 ( -5.235 0.000 6.339) 8.221 22.476 ( -2.220 0.000 5.069) 5.534 22.701 ( 3.067 0.000 -1.469) 3.400 23.259 ( 7.207 0.000 -0.058) 7.207 23.346 ( 10.705 0.000 -0.117) 10.705 23.476 ( 0.487 0.000 0.955) 1.072 23.588 ( 0.910 0.000 1.290) 1.579 23.734 ( 4.488 0.000 -5.290) 6.937 23.790 ( -0.466 0.000 -5.004) 5.026 24.048 ( -13.653 0.000 6.321) 15.045 24.858 ( 23.093 0.000 -4.557) 23.539 ======================= Grid point 128 (59/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 10.347 0.000 8.389) 13.321 1.392 ( 10.292 0.000 6.663) 12.260 1.572 ( 11.344 0.000 5.463) 12.591 1.625 ( 5.005 0.000 -6.044) 7.847 1.889 ( 2.030 0.000 -9.525) 9.739 1.918 ( 0.751 0.000 -2.591) 2.697 2.244 ( 2.152 0.000 0.523) 2.214 2.255 ( 10.976 0.000 2.990) 11.376 2.477 ( 6.634 0.000 3.642) 7.568 2.725 ( 2.589 0.000 -0.120) 2.591 2.896 ( -1.648 0.000 4.578) 4.865 2.965 ( 14.040 0.000 -1.834) 14.160 3.144 ( 1.448 0.000 -2.753) 3.111 3.412 ( -1.901 0.000 -3.893) 4.332 3.609 ( 9.929 0.000 0.125) 9.930 3.827 ( -2.133 0.000 -0.906) 2.318 3.838 ( -6.325 0.000 6.034) 8.742 4.066 ( 5.612 0.000 4.169) 6.991 4.212 ( 0.516 0.000 -5.596) 5.620 4.510 ( 10.127 0.000 -8.737) 13.375 4.619 ( -3.905 0.000 3.798) 5.447 4.801 ( 13.745 0.000 4.246) 14.386 4.892 ( -5.525 0.000 1.714) 5.785 5.137 ( -1.620 0.000 5.137) 5.386 5.312 ( 4.378 0.000 -0.681) 4.430 5.321 ( 7.487 0.000 1.027) 7.557 5.704 ( 10.310 0.000 -3.972) 11.049 5.886 ( 17.744 0.000 -2.692) 17.947 6.063 ( 3.790 0.000 -2.143) 4.354 6.083 ( 3.673 0.000 1.506) 3.970 6.344 ( 3.195 0.000 -1.584) 3.566 6.590 ( 6.641 0.000 0.470) 6.657 6.989 ( -6.994 0.000 -2.497) 7.426 7.209 ( 5.338 0.000 1.746) 5.617 7.534 ( 1.809 0.000 4.467) 4.820 7.817 ( 2.241 0.000 -6.941) 7.294 8.679 ( 1.087 0.000 16.189) 16.226 9.020 ( -0.711 0.000 -8.631) 8.660 9.031 ( -3.996 0.000 -6.658) 7.765 9.182 ( 2.015 0.000 -7.561) 7.825 9.569 ( -1.362 0.000 0.755) 1.557 9.577 ( 2.617 0.000 2.081) 3.343 10.143 ( -16.262 0.000 6.685) 17.583 10.746 ( -11.770 0.000 -2.312) 11.995 10.900 ( -4.999 0.000 -0.949) 5.089 11.173 ( -1.247 0.000 0.062) 1.249 11.397 ( -0.416 0.000 1.571) 1.625 11.464 ( 6.151 0.000 -12.154) 13.622 12.179 ( 2.084 0.000 -0.435) 2.129 12.231 ( -3.441 0.000 3.034) 4.587 12.666 ( -17.761 0.000 0.831) 17.780 12.734 ( -8.553 0.000 1.777) 8.736 13.815 ( 6.725 0.000 1.217) 6.834 13.978 ( 7.554 0.000 0.485) 7.570 14.150 ( 4.323 0.000 4.765) 6.434 14.220 ( 14.166 0.000 -0.613) 14.179 21.016 ( -5.047 0.000 -1.435) 5.247 21.052 ( -0.049 0.000 6.825) 6.825 21.753 ( -1.819 0.000 3.704) 4.126 21.771 ( -2.501 0.000 -4.118) 4.818 22.167 ( -8.683 0.000 2.590) 9.061 22.338 ( -6.805 0.000 2.358) 7.202 22.527 ( 0.864 0.000 3.470) 3.576 22.734 ( 1.890 0.000 -0.353) 1.923 23.371 ( 6.980 0.000 -1.337) 7.107 23.506 ( 1.040 0.000 1.578) 1.890 23.519 ( 6.686 0.000 2.264) 7.059 23.607 ( 0.312 0.000 0.822) 0.879 23.728 ( 0.520 0.000 -4.857) 4.885 23.799 ( 8.723 0.000 -1.653) 8.878 23.887 ( -10.167 0.000 0.561) 10.182 25.087 ( 13.926 0.000 -6.139) 15.220 ======================= Grid point 129 (60/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 6.441 0.000 11.062) 12.800 1.514 ( 2.356 0.000 2.945) 3.771 1.619 ( -1.825 0.000 -3.400) 3.859 1.791 ( 4.611 0.000 6.371) 7.864 1.838 ( 7.277 0.000 -9.299) 11.808 1.933 ( 5.739 0.000 -3.566) 6.757 2.241 ( -1.742 0.000 -0.982) 1.999 2.400 ( 1.578 0.000 1.279) 2.031 2.689 ( 14.946 0.000 1.364) 15.009 2.735 ( 0.941 0.000 -2.018) 2.226 2.973 ( 0.776 0.000 7.543) 7.583 3.091 ( -4.840 0.000 2.568) 5.480 3.148 ( 9.645 0.000 -2.413) 9.942 3.348 ( 1.377 0.000 -5.001) 5.187 3.708 ( 2.261 0.000 -2.990) 3.749 3.783 ( -9.058 0.000 5.242) 10.465 3.859 ( 11.339 0.000 -5.663) 12.674 4.157 ( 0.814 0.000 -5.469) 5.530 4.180 ( 4.116 0.000 -0.820) 4.197 4.496 ( 2.371 0.000 -9.489) 9.781 4.621 ( 1.411 0.000 0.371) 1.458 4.842 ( -1.252 0.000 -0.402) 1.315 5.041 ( -7.539 0.000 -1.247) 7.642 5.096 ( 14.781 0.000 2.568) 15.002 5.423 ( 5.308 0.000 -4.263) 6.808 5.482 ( 3.906 0.000 9.263) 10.053 5.788 ( 7.918 0.000 -3.505) 8.659 6.095 ( 13.207 0.000 -5.748) 14.403 6.158 ( 7.373 0.000 1.496) 7.523 6.235 ( 9.649 0.000 4.146) 10.502 6.353 ( 0.364 0.000 -2.200) 2.230 6.624 ( -2.241 0.000 -0.892) 2.412 6.848 ( -3.910 0.000 -4.181) 5.725 7.234 ( 2.545 0.000 -6.556) 7.033 7.643 ( 1.910 0.000 5.338) 5.669 7.797 ( 2.336 0.000 -3.550) 4.250 8.831 ( -11.368 0.000 -1.520) 11.469 8.914 ( 2.667 0.000 14.039) 14.290 8.922 ( -0.734 0.000 -4.688) 4.746 9.211 ( 6.030 0.000 0.792) 6.082 9.574 ( -0.267 0.000 1.636) 1.657 9.617 ( -1.608 0.000 1.624) 2.285 9.980 ( -12.952 0.000 7.678) 15.056 10.533 ( -9.492 0.000 -2.058) 9.713 10.903 ( 3.977 0.000 2.973) 4.965 11.167 ( -3.166 0.000 4.193) 5.254 11.420 ( 0.445 0.000 3.504) 3.532 11.438 ( 8.909 0.000 -12.139) 15.057 12.192 ( -3.891 0.000 -0.534) 3.927 12.244 ( 5.183 0.000 0.186) 5.186 12.396 ( -14.236 0.000 -0.338) 14.240 12.587 ( -9.988 0.000 0.313) 9.993 13.938 ( 6.486 0.000 -0.208) 6.489 14.089 ( 4.763 0.000 0.579) 4.799 14.261 ( 1.441 0.000 5.115) 5.314 14.419 ( 9.587 0.000 1.918) 9.777 20.956 ( -1.319 0.000 -0.291) 1.350 21.101 ( -3.353 0.000 4.821) 5.872 21.728 ( 0.573 0.000 0.339) 0.665 21.750 ( -4.365 0.000 4.145) 6.019 22.091 ( -3.856 0.000 1.684) 4.208 22.241 ( -5.813 0.000 -0.225) 5.817 22.577 ( 0.487 0.000 2.449) 2.497 22.744 ( 0.360 0.000 -1.273) 1.323 23.444 ( 5.403 0.000 -3.948) 6.692 23.529 ( -0.101 0.000 -0.288) 0.305 23.547 ( 0.316 0.000 -4.771) 4.782 23.638 ( -2.613 0.000 2.112) 3.360 23.708 ( 2.185 0.000 -0.982) 2.396 23.760 ( -2.420 0.000 1.165) 2.686 23.987 ( 9.992 0.000 4.114) 10.806 25.195 ( 9.358 0.000 -6.819) 11.579 ======================= Grid point 130 (61/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -8.138 0.000 -4.339) 9.222 1.587 ( -4.539 0.000 5.100) 6.828 1.617 ( 5.808 0.000 1.470) 5.992 1.860 ( -0.335 0.000 4.342) 4.355 1.931 ( 8.332 0.000 -1.273) 8.428 1.994 ( 4.464 0.000 -1.014) 4.578 2.174 ( -2.727 0.000 -3.366) 4.332 2.391 ( -1.409 0.000 -1.759) 2.254 2.734 ( 0.565 0.000 0.136) 0.581 2.876 ( 3.535 0.000 0.562) 3.579 3.032 ( -1.794 0.000 5.103) 5.409 3.149 ( 2.181 0.000 9.006) 9.266 3.173 ( -0.161 0.000 -5.232) 5.234 3.372 ( 6.728 0.000 -3.488) 7.578 3.694 ( -6.989 0.000 3.803) 7.957 3.725 ( 2.957 0.000 -1.790) 3.456 3.927 ( 7.918 0.000 -9.092) 12.056 4.091 ( -1.388 0.000 -4.710) 4.910 4.137 ( -3.601 0.000 -7.242) 8.088 4.393 ( -1.355 0.000 -6.847) 6.980 4.680 ( 5.650 0.000 -0.631) 5.685 4.806 ( -2.075 0.000 -3.051) 3.690 4.907 ( -5.855 0.000 -1.793) 6.123 5.280 ( -1.385 0.000 2.378) 2.752 5.422 ( 10.789 0.000 -8.893) 13.981 5.617 ( -1.631 0.000 9.729) 9.865 5.898 ( 5.501 0.000 0.409) 5.516 6.202 ( 8.581 0.000 -7.447) 11.362 6.279 ( 3.084 0.000 -1.534) 3.444 6.349 ( 5.535 0.000 0.590) 5.567 6.369 ( -1.672 0.000 0.343) 1.707 6.599 ( 2.092 0.000 3.297) 3.905 6.746 ( -1.649 0.000 -4.710) 4.990 7.163 ( -0.872 0.000 -7.222) 7.274 7.665 ( -4.754 0.000 0.694) 4.805 7.795 ( 3.509 0.000 -3.917) 5.258 8.601 ( -12.848 0.000 -0.196) 12.849 8.897 ( 3.048 0.000 -2.261) 3.795 9.166 ( 4.282 0.000 15.869) 16.437 9.349 ( 3.153 0.000 6.885) 7.573 9.591 ( -1.231 0.000 0.234) 1.253 9.609 ( 3.670 0.000 0.383) 3.690 9.923 ( -5.608 0.000 8.179) 9.917 10.401 ( -2.705 0.000 -2.513) 3.692 11.046 ( 2.802 0.000 7.531) 8.035 11.155 ( -6.014 0.000 5.607) 8.223 11.460 ( 11.135 0.000 -11.045) 15.684 11.521 ( 5.309 0.000 5.351) 7.538 12.063 ( -6.777 0.000 -4.504) 8.137 12.223 ( -7.731 0.000 0.673) 7.760 12.297 ( 1.048 0.000 -4.309) 4.434 12.470 ( -3.367 0.000 3.169) 4.624 14.005 ( 1.630 0.000 0.001) 1.630 14.142 ( 0.759 0.000 0.251) 0.799 14.320 ( -2.422 0.000 5.816) 6.300 14.596 ( 7.812 0.000 3.704) 8.646 20.961 ( 1.238 0.000 1.338) 1.823 21.059 ( -5.787 0.000 1.580) 5.998 21.720 ( -5.168 0.000 4.209) 6.665 21.790 ( 2.839 0.000 4.033) 4.932 22.069 ( -1.760 0.000 1.677) 2.431 22.163 ( -2.845 0.000 0.006) 2.845 22.596 ( -0.724 0.000 0.654) 0.976 22.715 ( 0.242 0.000 -4.106) 4.113 23.435 ( 3.051 0.000 -9.370) 9.854 23.454 ( -0.893 0.000 -8.159) 8.207 23.510 ( -1.184 0.000 0.527) 1.296 23.589 ( -2.063 0.000 -0.994) 2.291 23.774 ( 2.835 0.000 3.860) 4.789 23.800 ( 0.067 0.000 4.863) 4.864 24.187 ( 3.706 0.000 8.617) 9.381 25.239 ( 6.916 0.000 -7.719) 10.364 ======================= Grid point 131 (62/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -13.227 0.000 -1.555) 13.318 1.423 ( -16.144 0.000 -1.765) 16.240 1.743 ( 6.207 0.000 1.745) 6.448 1.895 ( -3.076 0.000 4.967) 5.843 2.031 ( 2.380 0.000 -1.752) 2.955 2.034 ( 1.585 0.000 -1.687) 2.315 2.125 ( 3.736 0.000 -0.497) 3.769 2.323 ( -2.662 0.000 -3.487) 4.387 2.743 ( -2.860 0.000 3.471) 4.497 2.797 ( -11.215 0.000 -0.906) 11.251 3.071 ( -5.681 0.000 -3.007) 6.427 3.097 ( 2.158 0.000 3.763) 4.338 3.299 ( 2.950 0.000 6.056) 6.737 3.382 ( -1.542 0.000 -5.108) 5.336 3.630 ( -5.720 0.000 -10.577) 12.025 3.681 ( 1.197 0.000 1.134) 1.649 3.956 ( -5.341 0.000 -5.271) 7.504 4.009 ( -0.148 0.000 -2.149) 2.154 4.011 ( 4.587 0.000 2.852) 5.401 4.274 ( -5.241 0.000 -4.477) 6.893 4.681 ( -4.947 0.000 -7.202) 8.737 4.777 ( 6.319 0.000 -0.282) 6.325 4.822 ( -2.176 0.000 -0.203) 2.185 5.174 ( -5.804 0.000 -3.598) 6.828 5.514 ( 2.875 0.000 -0.944) 3.026 5.676 ( -4.728 0.000 8.496) 9.723 5.961 ( 1.324 0.000 2.827) 3.122 6.166 ( 1.070 0.000 -11.646) 11.695 6.268 ( -6.224 0.000 -2.135) 6.580 6.274 ( 1.094 0.000 -3.385) 3.558 6.492 ( -11.722 0.000 -4.218) 12.458 6.502 ( 8.533 0.000 1.755) 8.711 6.875 ( 11.317 0.000 4.763) 12.278 7.020 ( -6.229 0.000 -5.888) 8.572 7.513 ( -10.269 0.000 -2.893) 10.669 7.836 ( 7.196 0.000 -3.796) 8.136 8.449 ( -8.198 0.000 4.681) 9.440 8.967 ( 8.148 0.000 -1.499) 8.284 9.406 ( 2.606 0.000 11.204) 11.503 9.445 ( -2.020 0.000 6.771) 7.066 9.617 ( 3.518 0.000 1.395) 3.784 9.711 ( 8.414 0.000 -0.605) 8.436 9.999 ( 2.886 0.000 7.900) 8.410 10.388 ( 5.292 0.000 -3.062) 6.114 11.096 ( -8.435 0.000 4.018) 9.343 11.130 ( -3.678 0.000 7.570) 8.416 11.535 ( 11.456 0.000 -7.611) 13.754 11.685 ( 9.691 0.000 -3.318) 10.243 11.950 ( -3.313 0.000 3.217) 4.618 12.111 ( -7.728 0.000 2.252) 8.049 12.197 ( -3.350 0.000 -4.484) 5.597 12.533 ( 4.532 0.000 1.246) 4.700 13.989 ( -4.670 0.000 1.483) 4.900 14.116 ( -3.510 0.000 -0.715) 3.582 14.323 ( -6.392 0.000 6.322) 8.991 14.762 ( 6.896 0.000 3.049) 7.540 20.973 ( -5.368 0.000 0.129) 5.369 21.034 ( 3.772 0.000 4.198) 5.644 21.694 ( -4.599 0.000 5.192) 6.936 21.893 ( 3.139 0.000 4.059) 5.131 22.064 ( -1.579 0.000 1.731) 2.343 22.157 ( -0.060 0.000 2.522) 2.523 22.565 ( -1.977 0.000 -1.970) 2.791 22.662 ( 2.002 0.000 -7.006) 7.287 23.341 ( 0.200 0.000 -9.107) 9.110 23.341 ( -0.386 0.000 -8.325) 8.334 23.501 ( -1.153 0.000 0.866) 1.442 23.551 ( -1.370 0.000 -0.711) 1.543 23.856 ( -0.720 0.000 4.807) 4.860 23.872 ( 2.121 0.000 4.653) 5.113 24.304 ( -3.696 0.000 10.213) 10.861 25.236 ( 5.539 0.000 -9.499) 10.996 ======================= Grid point 132 (63/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -18.300 0.000 10.040) 20.873 1.083 ( -20.949 0.000 -0.789) 20.964 1.783 ( -7.045 0.000 -2.117) 7.357 1.857 ( -3.553 0.000 -0.485) 3.586 2.016 ( 2.001 0.000 -0.840) 2.170 2.029 ( 1.048 0.000 -1.692) 1.990 2.230 ( -3.856 0.000 -2.673) 4.692 2.231 ( 3.385 0.000 4.473) 5.609 2.569 ( -15.977 0.000 4.120) 16.500 2.716 ( -7.639 0.000 6.195) 9.835 2.920 ( -10.437 0.000 1.322) 10.520 3.090 ( -3.424 0.000 -10.333) 10.886 3.199 ( -9.093 0.000 -6.452) 11.149 3.315 ( -3.159 0.000 -2.476) 4.014 3.474 ( -1.957 0.000 3.753) 4.232 3.706 ( 1.785 0.000 -1.347) 2.236 3.898 ( 0.689 0.000 0.089) 0.695 3.935 ( -4.798 0.000 0.006) 4.798 4.121 ( -6.048 0.000 -3.986) 7.244 4.168 ( 3.891 0.000 6.162) 7.288 4.489 ( -4.749 0.000 -10.066) 11.130 4.801 ( -0.885 0.000 -0.224) 0.913 4.897 ( 5.416 0.000 2.355) 5.906 5.060 ( -3.318 0.000 -1.353) 3.583 5.476 ( -7.690 0.000 2.835) 8.196 5.681 ( -4.365 0.000 5.537) 7.051 5.959 ( -6.698 0.000 -14.283) 15.776 5.998 ( -6.965 0.000 6.058) 9.231 6.047 ( -17.922 0.000 -1.152) 17.959 6.243 ( 3.481 0.000 -3.737) 5.108 6.322 ( -0.406 0.000 -3.737) 3.759 6.652 ( 8.087 0.000 -0.733) 8.120 6.840 ( -6.823 0.000 -5.112) 8.525 7.076 ( 7.534 0.000 -0.749) 7.571 7.354 ( -5.058 0.000 2.298) 5.555 7.921 ( 7.788 0.000 -3.396) 8.496 8.433 ( -4.824 0.000 8.835) 10.066 9.116 ( 11.259 0.000 -1.388) 11.345 9.460 ( -2.731 0.000 2.962) 4.029 9.481 ( -1.641 0.000 0.039) 1.641 9.718 ( 2.441 0.000 4.232) 4.885 9.852 ( 8.009 0.000 0.719) 8.041 10.211 ( 10.782 0.000 7.651) 13.221 10.494 ( 11.976 0.000 -3.646) 12.519 10.983 ( -6.840 0.000 -0.720) 6.878 11.157 ( -2.464 0.000 7.176) 7.587 11.631 ( 7.850 0.000 -3.731) 8.692 11.692 ( 4.378 0.000 -12.918) 13.640 11.927 ( -5.194 0.000 -0.114) 5.195 12.121 ( 0.365 0.000 -2.868) 2.891 12.166 ( 2.049 0.000 15.628) 15.762 12.610 ( 4.947 0.000 -1.914) 5.305 13.889 ( -11.306 0.000 3.606) 11.867 14.014 ( -6.743 0.000 -1.671) 6.947 14.262 ( -9.943 0.000 5.885) 11.554 14.881 ( 5.622 0.000 -1.765) 5.893 20.898 ( -3.664 0.000 0.010) 3.664 21.203 ( 7.996 0.000 7.821) 11.185 21.710 ( -3.425 0.000 9.315) 9.925 21.997 ( 3.477 0.000 4.354) 5.572 22.061 ( -1.809 0.000 2.876) 3.398 22.197 ( -0.196 0.000 2.873) 2.880 22.488 ( -2.301 0.000 -4.304) 4.880 22.621 ( 4.409 0.000 -7.783) 8.944 23.236 ( -1.313 0.000 -5.698) 5.847 23.238 ( -0.169 0.000 -7.518) 7.520 23.492 ( -1.476 0.000 1.303) 1.969 23.526 ( -0.961 0.000 -0.033) 0.962 23.888 ( -1.387 0.000 2.851) 3.171 23.944 ( 0.816 0.000 2.676) 2.798 24.326 ( -9.016 0.000 11.186) 14.368 25.170 ( 3.544 0.000 -15.241) 15.648 ======================= Grid point 133 (64/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -19.636 0.000 8.781) 21.510 0.946 ( -18.067 0.000 24.681) 30.587 1.428 ( -28.600 0.000 0.410) 28.603 1.819 ( 2.091 0.000 -2.455) 3.225 1.981 ( -3.134 0.000 -5.263) 6.125 2.081 ( -12.105 0.000 -2.526) 12.366 2.138 ( 8.253 0.000 3.569) 8.992 2.319 ( -0.640 0.000 5.364) 5.402 2.406 ( -11.472 0.000 4.638) 12.374 2.623 ( -13.092 0.000 4.676) 13.902 2.783 ( -6.707 0.000 -2.784) 7.262 2.842 ( -4.840 0.000 -8.361) 9.661 3.126 ( 3.073 0.000 16.790) 17.069 3.210 ( -3.948 0.000 -5.559) 6.819 3.559 ( 0.404 0.000 7.632) 7.643 3.731 ( 2.760 0.000 -0.149) 2.764 3.849 ( -6.423 0.000 1.846) 6.683 3.890 ( 0.523 0.000 -5.625) 5.650 4.022 ( -3.169 0.000 2.769) 4.209 4.280 ( 1.001 0.000 5.524) 5.614 4.307 ( -0.339 0.000 -10.676) 10.681 4.733 ( -4.569 0.000 -3.874) 5.990 4.963 ( -2.801 0.000 1.750) 3.303 5.036 ( -2.018 0.000 3.372) 3.930 5.357 ( -12.776 0.000 5.840) 14.048 5.657 ( -4.414 0.000 -3.391) 5.566 5.714 ( -1.345 0.000 -0.860) 1.597 5.779 ( -11.341 0.000 -2.598) 11.634 5.874 ( -10.844 0.000 2.981) 11.247 6.308 ( 0.431 0.000 -0.839) 0.943 6.338 ( 6.554 0.000 2.775) 7.117 6.661 ( -4.531 0.000 -12.214) 13.028 6.675 ( -2.824 0.000 -5.674) 6.338 7.107 ( 4.204 0.000 -5.477) 6.904 7.414 ( 2.165 0.000 6.410) 6.765 8.001 ( 6.378 0.000 -2.778) 6.956 8.469 ( -6.421 0.000 10.717) 12.493 9.278 ( 9.931 0.000 -1.792) 10.091 9.378 ( -4.366 0.000 -7.128) 8.359 9.451 ( -0.820 0.000 1.029) 1.316 9.762 ( -2.161 0.000 2.416) 3.242 9.981 ( 5.924 0.000 1.259) 6.056 10.512 ( 13.561 0.000 6.342) 14.971 10.663 ( 14.217 0.000 -5.370) 15.198 10.903 ( 2.219 0.000 -4.064) 4.630 11.248 ( 2.607 0.000 6.538) 7.039 11.491 ( -5.932 0.000 -16.331) 17.375 11.674 ( 1.683 0.000 -2.589) 3.088 11.903 ( -1.268 0.000 6.343) 6.468 12.157 ( 5.617 0.000 0.419) 5.633 12.427 ( 8.087 0.000 12.154) 14.599 12.651 ( 4.234 0.000 -3.275) 5.353 13.706 ( -17.951 0.000 6.156) 18.977 13.868 ( -7.391 0.000 -2.078) 7.677 14.148 ( -11.540 0.000 4.907) 12.540 14.846 ( -0.838 0.000 -14.214) 14.239 20.855 ( -1.923 0.000 0.659) 2.033 21.447 ( 10.595 0.000 1.598) 10.715 21.837 ( 1.514 0.000 7.946) 8.089 22.114 ( 3.095 0.000 5.317) 6.152 22.181 ( 7.607 0.000 24.246) 25.411 22.201 ( -1.671 0.000 0.425) 1.724 22.402 ( -1.028 0.000 -4.303) 4.424 22.621 ( 5.590 0.000 -5.847) 8.089 23.158 ( 1.356 0.000 -6.554) 6.693 23.172 ( -0.964 0.000 -0.739) 1.214 23.486 ( -1.842 0.000 2.322) 2.964 23.519 ( -0.288 0.000 0.542) 0.614 23.875 ( -1.782 0.000 -0.733) 1.927 23.960 ( -0.414 0.000 -0.506) 0.654 24.298 ( -11.741 0.000 12.604) 17.225 24.873 ( -9.636 0.000 -32.384) 33.787 ======================= Grid point 134 (65/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -10.963 0.000 19.229) 22.135 0.772 ( -31.114 0.000 7.948) 32.113 1.261 ( -11.862 0.000 35.656) 37.578 1.762 ( -10.076 0.000 -12.206) 15.827 1.811 ( -11.954 0.000 -3.879) 12.568 1.873 ( 7.914 0.000 -2.658) 8.348 2.232 ( 2.910 0.000 -5.937) 6.612 2.268 ( -8.991 0.000 -0.141) 8.992 2.286 ( -8.220 0.000 -0.770) 8.256 2.499 ( -4.396 0.000 5.846) 7.315 2.698 ( 0.599 0.000 0.276) 0.659 2.782 ( -0.039 0.000 2.266) 2.267 3.074 ( -1.851 0.000 -8.293) 8.498 3.591 ( -5.935 0.000 5.233) 7.913 3.654 ( 19.091 0.000 3.239) 19.364 3.746 ( 0.195 0.000 -5.997) 6.000 3.819 ( -3.169 0.000 6.636) 7.354 3.883 ( 9.377 0.000 0.942) 9.424 4.166 ( 14.191 0.000 19.576) 24.178 4.266 ( 9.937 0.000 -7.312) 12.338 4.366 ( 2.554 0.000 5.417) 5.989 4.575 ( -5.382 0.000 -6.859) 8.718 4.872 ( -6.909 0.000 0.559) 6.932 5.036 ( -5.689 0.000 6.401) 8.564 5.212 ( -13.101 0.000 6.211) 14.499 5.573 ( -3.544 0.000 -6.401) 7.317 5.680 ( 2.361 0.000 5.101) 5.621 5.737 ( 1.154 0.000 0.485) 1.252 5.775 ( -5.624 0.000 -2.802) 6.283 6.086 ( -33.514 0.000 -18.040) 38.061 6.299 ( -0.512 0.000 -0.221) 0.558 6.519 ( -2.004 0.000 -0.145) 2.009 6.555 ( 0.749 0.000 5.952) 5.998 7.126 ( 4.990 0.000 -4.227) 6.540 7.512 ( 1.071 0.000 4.201) 4.336 8.034 ( 2.954 0.000 -5.599) 6.330 8.465 ( -10.291 0.000 10.989) 15.056 9.216 ( -0.533 0.000 -10.356) 10.370 9.364 ( 4.284 0.000 -4.280) 6.055 9.446 ( 2.018 0.000 -5.309) 5.679 9.715 ( -5.036 0.000 0.148) 5.038 10.051 ( 0.272 0.000 -1.707) 1.728 10.614 ( -9.525 0.000 -7.429) 12.080 10.813 ( 12.481 0.000 -6.428) 14.039 10.962 ( 12.024 0.000 -1.644) 12.136 11.323 ( 11.002 0.000 -9.875) 14.783 11.347 ( -0.639 0.000 3.947) 3.998 11.637 ( 0.086 0.000 -4.478) 4.479 12.047 ( 7.087 0.000 8.405) 10.994 12.266 ( 3.521 0.000 1.941) 4.021 12.692 ( 4.481 0.000 -0.757) 4.544 12.768 ( 17.686 0.000 10.751) 20.697 13.476 ( -19.969 0.000 10.772) 22.689 13.748 ( -3.555 0.000 -1.519) 3.866 14.023 ( -9.341 0.000 3.958) 10.145 14.432 ( -22.835 0.000 -17.503) 28.771 20.851 ( -0.482 0.000 1.906) 1.966 21.551 ( 4.459 0.000 -3.526) 5.685 21.800 ( -4.832 0.000 -5.360) 7.217 22.127 ( -2.304 0.000 -3.794) 4.439 22.251 ( 1.006 0.000 7.874) 7.938 22.365 ( 1.005 0.000 -1.422) 1.742 22.650 ( 4.585 0.000 -3.653) 5.863 22.924 ( 25.052 0.000 7.453) 26.137 23.135 ( 5.065 0.000 -5.342) 7.362 23.276 ( 8.462 0.000 10.389) 13.399 23.529 ( 0.506 0.000 0.769) 0.921 23.546 ( 8.176 0.000 13.769) 16.013 23.819 ( -1.197 0.000 -3.692) 3.881 23.907 ( -15.458 0.000 -13.020) 20.210 23.959 ( -29.602 0.000 -19.872) 35.653 24.251 ( -13.124 0.000 12.759) 18.304 ======================= Grid point 135 (66/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 4.745 9.897 7.436) 13.257 1.035 ( -4.110 14.603 12.607) 19.725 1.435 ( -4.888 1.449 -14.957) 15.802 1.646 ( -1.334 4.156 17.787) 18.315 1.710 ( 1.009 -0.197 1.133) 1.530 2.013 ( 6.140 1.600 -0.245) 6.350 2.095 ( -0.093 -4.022 -2.448) 4.709 2.126 ( -2.827 -0.725 -1.741) 3.399 2.234 ( 0.055 6.769 -1.316) 6.896 2.579 ( 0.775 0.433 3.187) 3.308 2.751 ( 4.707 0.343 5.480) 7.233 2.838 ( 2.540 -2.088 -1.463) 3.599 2.973 ( 0.052 1.759 -2.954) 3.438 3.461 ( -1.341 -5.413 0.335) 5.587 3.686 ( -4.183 6.058 0.177) 7.364 3.711 ( 0.874 -4.391 0.463) 4.501 3.851 ( 2.066 -3.525 3.017) 5.079 4.118 ( 3.082 4.479 3.386) 6.405 4.295 ( 3.324 2.748 -2.803) 5.144 4.453 ( -5.179 2.609 -6.700) 8.861 4.588 ( 6.372 4.697 6.321) 10.130 4.616 ( -5.239 2.858 1.395) 6.129 4.746 ( -3.716 -3.887 4.505) 7.015 5.027 ( -3.874 -1.150 8.294) 9.226 5.211 ( 14.137 -0.969 -3.665) 14.636 5.281 ( -10.314 3.727 5.654) 12.339 5.471 ( -5.000 -0.667 -3.279) 6.017 5.680 ( 0.157 -0.760 -4.956) 5.016 5.887 ( 5.315 -0.858 0.453) 5.403 5.992 ( 5.523 6.778 7.625) 11.601 6.241 ( 2.301 -5.644 -2.345) 6.531 6.445 ( -4.459 3.184 -1.238) 5.617 6.769 ( 7.622 1.037 10.310) 12.863 7.162 ( 1.228 1.348 -2.969) 3.485 7.485 ( -0.647 -5.586 1.602) 5.847 7.928 ( 2.608 -4.612 -7.606) 9.270 8.445 ( -8.205 1.746 11.047) 13.871 9.187 ( 3.008 -2.228 -10.205) 10.870 9.399 ( 1.522 11.509 -11.731) 16.505 9.424 ( 0.102 5.601 -5.544) 7.881 9.651 ( -3.478 3.942 -6.289) 8.197 9.936 ( -8.908 6.516 -9.461) 14.536 10.369 ( -9.107 -2.306 4.509) 10.421 10.881 ( 6.550 -2.242 -6.282) 9.348 11.158 ( 8.089 -1.013 2.392) 8.496 11.250 ( -8.023 -2.728 -2.265) 8.772 11.370 ( 5.363 0.213 -9.951) 11.306 11.551 ( 2.250 -3.580 -6.546) 7.793 12.222 ( 2.594 0.373 1.915) 3.245 12.277 ( -2.708 0.112 0.270) 2.723 12.756 ( 2.105 -1.793 3.616) 4.552 13.026 ( 2.678 -5.524 2.412) 6.596 13.376 ( 6.043 -13.191 13.726) 19.973 13.600 ( -3.291 -8.045 6.590) 10.908 13.891 ( -7.700 1.905 3.775) 8.785 14.011 ( -6.964 1.116 1.222) 7.158 20.926 ( 0.938 3.186 0.687) 3.392 21.396 ( -7.019 -3.516 -6.581) 10.244 21.718 ( -0.724 1.804 1.759) 2.622 22.040 ( -2.229 1.982 -6.195) 6.875 22.112 ( -1.112 -11.951 6.395) 13.600 22.485 ( -4.759 1.631 -2.963) 5.838 22.697 ( 0.571 8.816 3.774) 9.607 22.961 ( -18.098 6.392 -0.403) 19.198 23.146 ( 4.189 -0.800 -0.892) 4.357 23.275 ( 6.079 7.484 -5.045) 10.882 23.494 ( -1.220 2.226 -0.504) 2.588 23.623 ( -1.019 6.345 -1.232) 6.543 23.711 ( 0.518 -3.452 -5.443) 6.466 23.901 ( -1.812 3.676 -2.784) 4.955 24.083 ( -4.867 -6.661 12.705) 15.148 24.436 ( 24.906 4.534 0.901) 25.332 ======================= Grid point 136 (67/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 26.672 5.828 3.269) 27.497 1.092 ( 1.521 8.922 2.511) 9.393 1.376 ( 10.093 2.656 -1.004) 10.484 1.655 ( -2.892 0.810 -0.565) 3.056 1.876 ( 4.951 -3.564 1.310) 6.239 1.968 ( -2.883 -1.232 -2.522) 4.024 2.062 ( 3.600 -3.653 -1.575) 5.366 2.192 ( 5.922 2.731 -0.586) 6.548 2.380 ( 4.360 8.058 9.122) 12.929 2.639 ( 5.396 1.045 1.968) 5.838 2.874 ( 1.017 -6.164 -1.629) 6.456 2.890 ( 8.849 4.718 0.287) 10.032 3.024 ( 10.717 2.679 -1.461) 11.143 3.438 ( 0.009 -3.885 -2.708) 4.736 3.604 ( -5.029 5.031 1.859) 7.352 3.780 ( 0.827 -2.790 6.718) 7.321 3.909 ( 1.230 -0.319 0.721) 1.461 4.080 ( -9.165 5.159 2.588) 10.831 4.290 ( 4.328 5.497 -6.082) 9.271 4.374 ( 4.236 0.866 -4.111) 5.966 4.623 ( -0.358 1.119 8.042) 8.127 4.669 ( -1.971 0.226 6.114) 6.428 4.857 ( 4.894 0.203 4.456) 6.622 5.069 ( 0.833 1.977 5.574) 5.972 5.251 ( 3.442 6.144 1.999) 7.321 5.380 ( -1.231 0.155 -2.241) 2.562 5.512 ( 15.876 -1.246 -2.603) 16.136 5.675 ( 8.070 -0.828 -4.800) 9.426 5.963 ( 4.207 -2.981 -2.379) 5.678 6.124 ( 3.696 5.283 -0.090) 6.448 6.286 ( 1.509 -3.652 1.708) 4.305 6.454 ( 8.069 2.623 0.748) 8.518 7.024 ( 8.108 0.941 8.702) 11.931 7.108 ( -3.799 0.115 -1.984) 4.287 7.471 ( -1.776 -4.071 0.536) 4.473 7.878 ( 3.662 -1.852 -9.290) 10.156 8.496 ( -3.111 0.828 13.394) 13.775 9.086 ( -1.267 -3.142 -8.281) 8.947 9.279 ( 1.999 9.886 -12.581) 16.125 9.324 ( 0.334 4.291 -10.736) 11.567 9.570 ( -0.831 4.146 0.259) 4.236 9.729 ( -4.686 7.656 -4.437) 10.013 10.280 ( -12.374 -2.257 7.042) 14.415 10.852 ( -2.346 -4.846 -4.428) 6.972 11.058 ( -10.611 -1.303 -1.814) 10.844 11.217 ( -1.347 -0.379 -2.191) 2.600 11.349 ( 3.613 -1.594 -3.101) 5.021 11.499 ( 3.488 -2.672 -9.226) 10.218 12.208 ( -2.918 0.812 -1.239) 3.272 12.237 ( -4.052 -0.524 4.207) 5.865 12.785 ( -4.397 -2.250 3.577) 6.099 12.902 ( -15.611 -3.280 2.209) 16.104 13.601 ( 5.042 -9.998 5.782) 12.603 13.801 ( 14.454 -6.675 -1.787) 16.021 13.924 ( 7.333 2.036 5.651) 9.479 14.042 ( 4.896 0.832 3.760) 6.229 20.963 ( 0.287 0.582 3.308) 3.371 21.193 ( -7.554 1.290 -4.098) 8.690 21.743 ( -0.619 1.293 3.073) 3.391 21.916 ( -3.074 1.899 -6.049) 7.046 22.169 ( -2.224 -10.077 6.719) 12.314 22.308 ( -10.039 -0.866 -1.655) 10.212 22.736 ( -5.635 14.601 5.542) 16.602 22.795 ( -0.150 7.259 -0.239) 7.264 23.252 ( 8.596 -1.039 -0.287) 8.664 23.379 ( 8.195 3.537 -0.843) 8.965 23.496 ( 1.503 1.958 0.709) 2.568 23.622 ( -0.206 2.684 -0.281) 2.707 23.686 ( 4.748 -2.356 -4.874) 7.201 23.843 ( -0.378 4.034 -3.351) 5.258 24.019 ( -13.200 -2.816 7.269) 15.330 24.823 ( 21.105 -3.538 -4.181) 21.804 ======================= Grid point 137 (68/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 9.332 4.616 6.778) 12.423 1.417 ( 9.068 2.851 5.439) 10.952 1.562 ( 6.943 -2.613 0.408) 7.430 1.658 ( 8.849 5.488 -0.603) 10.430 1.850 ( 2.001 -2.100 -7.321) 7.875 1.961 ( 3.989 1.703 -1.877) 4.726 2.178 ( 7.808 -6.962 1.425) 10.558 2.256 ( 4.354 -1.219 -1.656) 4.815 2.451 ( -2.048 1.920 2.177) 3.553 2.830 ( 10.718 5.077 -2.418) 12.104 2.900 ( 2.508 1.678 6.173) 6.871 3.041 ( 10.943 1.734 -3.198) 11.532 3.146 ( 3.446 5.268 -0.897) 6.359 3.420 ( 1.949 0.005 -2.465) 3.143 3.618 ( 3.672 2.050 2.066) 4.685 3.784 ( -7.299 -3.054 -0.979) 7.973 3.923 ( 2.501 3.711 4.095) 6.066 4.075 ( 1.425 2.152 0.769) 2.693 4.275 ( 3.105 6.165 -1.832) 7.142 4.413 ( 6.175 -6.075 -6.761) 10.988 4.645 ( -5.581 0.956 4.459) 7.207 4.834 ( 9.820 1.209 5.684) 11.410 4.900 ( -3.006 1.929 3.892) 5.283 5.173 ( 0.331 2.235 3.909) 4.516 5.348 ( 7.966 4.786 -2.708) 9.679 5.393 ( 6.943 6.325 -0.922) 9.437 5.700 ( 11.245 -1.006 -3.393) 11.789 5.841 ( 15.223 -2.632 -3.097) 15.757 5.988 ( 3.222 -3.948 -0.953) 5.184 6.146 ( 3.560 2.318 -2.008) 4.699 6.359 ( 4.163 1.268 1.637) 4.649 6.611 ( 7.267 1.989 -0.135) 7.535 6.981 ( -6.947 -0.609 -3.224) 7.683 7.227 ( 6.414 1.702 2.249) 7.006 7.484 ( 1.309 -4.699 3.475) 5.989 7.825 ( 3.428 0.107 -7.960) 8.668 8.660 ( 0.362 -1.444 15.546) 15.617 8.955 ( -5.477 -3.266 -3.697) 7.371 9.141 ( -1.360 7.208 -10.708) 12.980 9.221 ( 3.198 4.204 -8.367) 9.895 9.606 ( 0.149 4.665 3.959) 6.121 9.662 ( -0.359 6.966 -0.413) 6.987 10.123 ( -15.749 -1.911 6.527) 17.155 10.699 ( -10.132 -4.515 -2.141) 11.297 10.905 ( -4.584 0.650 -1.140) 4.768 11.165 ( -1.802 -0.955 -0.063) 2.041 11.360 ( 0.351 -3.039 -0.817) 3.166 11.454 ( 5.318 -1.402 -9.442) 10.927 12.167 ( -0.562 -0.906 -0.930) 1.415 12.232 ( -2.335 0.029 4.042) 4.668 12.641 ( -17.350 -2.414 1.199) 17.558 12.708 ( -8.283 -2.502 1.657) 8.810 13.767 ( 8.774 -4.032 1.719) 9.808 13.941 ( 8.611 -3.610 -1.793) 9.508 14.126 ( 6.061 -1.095 4.795) 7.806 14.237 ( 11.162 0.758 3.151) 11.622 20.988 ( -2.541 -1.155 1.894) 3.373 21.087 ( -2.129 1.838 1.016) 2.990 21.757 ( -2.872 0.037 3.256) 4.342 21.809 ( -2.185 2.912 -3.115) 4.791 22.158 ( -6.032 -0.910 -1.102) 6.199 22.199 ( -3.331 -6.995 5.552) 9.532 22.702 ( -2.214 11.415 1.091) 11.679 22.825 ( 0.550 7.811 1.794) 8.033 23.384 ( 6.541 0.248 -0.427) 6.559 23.484 ( 2.997 -1.775 2.898) 4.531 23.566 ( 5.355 4.267 -1.038) 6.925 23.604 ( 1.518 -0.596 -2.142) 2.692 23.711 ( 2.567 0.620 -4.335) 5.076 23.848 ( 5.027 3.864 0.802) 6.391 23.869 ( -10.735 -1.469 1.615) 10.955 25.043 ( 13.625 -4.424 -5.568) 15.369 ======================= Grid point 138 (69/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 5.728 2.683 8.566) 10.649 1.519 ( 1.723 0.223 3.376) 3.797 1.601 ( 1.038 -0.392 -1.463) 1.836 1.797 ( 3.379 -0.108 -2.752) 4.359 1.862 ( 8.055 5.037 0.451) 9.511 2.012 ( 4.040 3.282 -2.607) 5.822 2.270 ( 1.521 -1.112 0.838) 2.062 2.350 ( 4.010 -3.040 -0.221) 5.037 2.427 ( 1.781 -8.409 -0.992) 8.653 2.928 ( 5.885 -1.014 0.344) 5.982 3.016 ( 0.537 3.696 3.339) 5.010 3.130 ( 2.006 9.032 0.026) 9.252 3.208 ( 7.564 5.999 -1.742) 9.811 3.412 ( 2.247 4.429 -3.713) 6.201 3.612 ( -4.675 -5.663 -1.400) 7.476 3.783 ( 7.201 -1.118 -0.573) 7.310 4.011 ( 2.351 8.401 1.767) 8.901 4.056 ( 0.202 0.877 -4.710) 4.795 4.334 ( 4.472 6.216 -3.102) 8.262 4.397 ( 2.860 -7.480 -7.081) 10.690 4.612 ( -0.206 -0.354 -0.070) 0.416 4.870 ( -4.868 2.807 0.393) 5.633 5.018 ( 1.250 -0.103 5.163) 5.313 5.215 ( 4.839 6.133 0.250) 7.816 5.424 ( 6.943 2.833 -5.223) 9.139 5.543 ( 6.024 4.779 3.950) 8.645 5.801 ( 8.085 0.928 -3.129) 8.719 5.990 ( 8.240 -5.663 -4.531) 10.977 6.096 ( 8.335 -6.355 0.182) 10.483 6.251 ( 8.518 0.913 1.882) 8.771 6.430 ( 3.540 4.967 -1.138) 6.205 6.664 ( 0.565 4.166 -1.148) 4.358 6.824 ( -4.987 -1.901 -4.876) 7.230 7.273 ( 2.971 3.370 -6.000) 7.496 7.584 ( 2.072 -5.706 5.342) 8.086 7.804 ( 3.498 0.118 -5.256) 6.315 8.802 ( -10.637 -1.981 -0.506) 10.832 8.845 ( -1.925 -3.599 12.183) 12.848 9.011 ( 1.799 4.826 -4.660) 6.946 9.256 ( 5.881 4.336 1.033) 7.379 9.633 ( -1.041 5.375 2.546) 6.037 9.670 ( -1.658 5.284 2.090) 5.920 9.970 ( -12.359 -0.777 7.943) 14.712 10.512 ( -8.776 -2.216 -1.586) 9.189 10.903 ( 3.375 0.243 2.382) 4.138 11.156 ( -2.513 -1.271 3.718) 4.664 11.365 ( 2.558 -3.749 -1.155) 4.683 11.448 ( 6.400 -0.574 -6.895) 9.425 12.135 ( -2.659 -3.581 -1.244) 4.631 12.271 ( 1.890 0.584 2.144) 2.917 12.386 ( -12.832 -0.615 -0.863) 12.876 12.571 ( -9.254 -1.638 0.467) 9.409 13.903 ( 6.644 -2.808 -1.136) 7.302 14.059 ( 6.340 -2.997 0.352) 7.022 14.260 ( 2.367 0.129 5.903) 6.361 14.428 ( 7.519 0.468 2.729) 8.012 20.957 ( -1.261 0.239 0.170) 1.295 21.089 ( -2.723 -0.928 3.031) 4.179 21.735 ( -3.093 -0.402 2.791) 4.185 21.774 ( -1.527 2.654 1.468) 3.396 22.076 ( -2.632 -0.968 -0.733) 2.899 22.202 ( -3.035 -1.897 4.011) 5.376 22.686 ( -1.001 8.928 0.046) 8.984 22.846 ( -0.076 8.854 0.837) 8.893 23.444 ( 2.472 -1.057 -1.319) 2.994 23.528 ( -0.378 -1.032 -5.372) 5.484 23.560 ( 1.294 1.684 0.008) 2.124 23.666 ( -0.952 -1.085 -3.654) 3.929 23.669 ( 3.482 1.668 -1.288) 4.070 23.765 ( -1.493 0.367 1.966) 2.496 24.007 ( 7.294 2.348 5.992) 9.727 25.155 ( 9.237 -4.105 -6.414) 11.971 ======================= Grid point 139 (70/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -4.891 0.004 -2.867) 5.669 1.609 ( -1.399 1.517 1.887) 2.796 1.632 ( 1.136 2.576 2.070) 3.495 1.878 ( 5.757 0.290 3.162) 6.575 1.952 ( 0.695 3.587 1.956) 4.145 2.048 ( 5.081 2.774 -1.969) 6.115 2.248 ( -5.060 6.920 -2.337) 8.885 2.324 ( 0.567 -5.414 -0.521) 5.469 2.524 ( 3.905 -10.523 2.106) 11.420 2.986 ( -0.613 -2.580 1.051) 2.853 3.055 ( -0.790 -0.230 4.381) 4.458 3.178 ( 3.189 11.429 -0.742) 11.888 3.251 ( 0.589 5.154 -1.022) 5.288 3.437 ( 6.126 5.253 -4.614) 9.295 3.558 ( -1.484 -7.426 0.956) 7.633 3.838 ( 2.372 0.258 -4.764) 5.328 3.985 ( -1.635 -1.872 -4.647) 5.270 4.034 ( 1.879 13.472 -1.656) 13.703 4.289 ( 0.063 4.393 -9.099) 10.105 4.371 ( -0.957 -2.651 -0.966) 2.979 4.642 ( 4.359 -1.765 -1.531) 4.946 4.741 ( -6.579 -0.079 -4.099) 7.752 5.028 ( -3.028 6.535 0.826) 7.249 5.245 ( -3.438 -2.878 -0.152) 4.487 5.508 ( 11.908 7.132 -5.620) 14.975 5.643 ( -0.796 2.842 5.475) 6.220 5.916 ( 5.717 1.629 0.466) 5.963 6.046 ( 5.622 -7.938 -4.769) 10.834 6.194 ( 3.365 -9.785 0.213) 10.350 6.382 ( 2.890 0.483 -0.346) 2.950 6.443 ( 2.043 6.211 -4.068) 7.701 6.683 ( 2.588 6.727 1.452) 7.352 6.698 ( -0.936 -3.222 -5.266) 6.244 7.203 ( -1.705 2.772 -7.287) 7.980 7.622 ( -2.992 -3.720 1.290) 4.945 7.808 ( 4.330 0.475 -4.354) 6.159 8.593 ( -13.225 -0.452 0.571) 13.245 8.859 ( -0.242 -3.672 0.538) 3.719 9.160 ( 5.805 -0.041 10.150) 11.693 9.400 ( 4.039 3.980 7.662) 9.532 9.641 ( 0.145 4.996 0.272) 5.005 9.688 ( 2.124 7.126 2.331) 7.792 9.926 ( -5.256 0.626 8.560) 10.064 10.392 ( -2.558 -1.027 -2.098) 3.464 11.017 ( 1.585 -2.114 6.092) 6.640 11.160 ( -4.093 -0.010 5.598) 6.935 11.418 ( 7.696 -3.500 -4.861) 9.752 11.517 ( 7.901 -1.060 -0.074) 7.973 12.032 ( -5.669 -2.466 -3.383) 7.047 12.199 ( -8.141 -2.006 0.507) 8.400 12.313 ( -0.171 1.158 -3.894) 4.066 12.467 ( -2.709 -0.417 2.927) 4.010 13.956 ( 1.280 -3.546 -0.663) 3.828 14.136 ( 2.278 -1.484 -0.310) 2.736 14.346 ( -1.736 2.076 6.795) 7.314 14.567 ( 5.104 -2.409 3.702) 6.750 20.963 ( 0.842 0.223 1.368) 1.621 21.056 ( -3.898 -0.339 1.033) 4.047 21.715 ( -4.970 -0.681 4.543) 6.768 21.802 ( 1.816 0.745 2.071) 2.853 22.051 ( -0.506 0.445 1.129) 1.314 22.212 ( -1.466 3.119 3.927) 5.225 22.655 ( -1.562 6.226 -2.179) 6.779 22.841 ( -0.333 10.886 -0.926) 10.930 23.415 ( -1.010 -3.894 -7.424) 8.444 23.450 ( 1.304 0.073 -4.858) 5.031 23.525 ( -0.262 3.644 -5.243) 6.390 23.611 ( -0.978 1.120 -2.117) 2.587 23.734 ( 2.842 -3.443 3.684) 5.788 23.818 ( 0.655 1.494 4.272) 4.573 24.190 ( 2.652 0.826 9.069) 9.485 25.197 ( 6.387 -4.164 -7.500) 10.695 ======================= Grid point 140 (71/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -11.164 5.261 -1.261) 12.405 1.480 ( -12.663 4.264 -2.331) 13.563 1.699 ( 5.664 -2.556 -0.556) 6.239 1.945 ( -1.994 -2.356 -0.556) 3.137 1.991 ( -1.645 4.958 5.379) 7.498 2.127 ( 4.634 4.142 0.215) 6.218 2.164 ( 0.692 4.049 -0.388) 4.126 2.312 ( -0.798 -0.200 -2.754) 2.874 2.558 ( -4.038 -7.119 3.529) 8.913 2.925 ( -8.250 -3.837 0.333) 9.105 3.110 ( -0.001 -0.931 4.354) 4.452 3.115 ( -3.588 13.523 -5.754) 15.128 3.303 ( 1.662 -1.096 3.260) 3.819 3.407 ( -1.667 1.514 -7.452) 7.785 3.582 ( 1.926 -4.224 -0.210) 4.647 3.730 ( -3.074 5.100 -8.753) 10.587 3.937 ( -1.543 -0.120 2.158) 2.655 4.063 ( 0.486 7.519 -0.445) 7.548 4.153 ( -2.381 8.928 -5.196) 10.601 4.316 ( -5.714 -1.727 0.895) 6.036 4.579 ( -2.735 0.244 -7.374) 7.869 4.707 ( 3.774 -6.082 -0.996) 7.227 4.961 ( -2.568 8.301 -2.326) 8.995 5.177 ( -4.257 -0.529 1.648) 4.595 5.569 ( 0.568 4.755 -4.507) 6.576 5.681 ( -3.132 0.638 6.813) 7.525 5.959 ( -0.566 0.381 1.321) 1.487 6.069 ( 5.734 -5.548 -7.436) 10.906 6.204 ( -3.164 -6.704 0.367) 7.422 6.327 ( -1.325 -1.188 -7.534) 7.741 6.401 ( -8.838 1.464 0.035) 8.959 6.564 ( 0.546 -1.501 -3.918) 4.231 6.875 ( 10.663 3.368 1.016) 11.228 7.047 ( -5.096 0.784 -5.968) 7.887 7.520 ( -8.850 0.510 -0.821) 8.902 7.849 ( 7.051 0.809 -4.196) 8.245 8.435 ( -8.714 -1.051 4.573) 9.897 8.907 ( 5.339 -5.644 0.375) 7.778 9.348 ( 1.961 -1.475 8.117) 8.480 9.556 ( 2.392 6.217 7.821) 10.273 9.684 ( 4.045 5.912 1.963) 7.428 9.784 ( 7.967 6.859 -0.827) 10.545 10.007 ( 2.418 1.340 8.270) 8.720 10.383 ( 5.155 -0.631 -2.769) 5.885 11.061 ( -3.918 -2.055 4.445) 6.271 11.148 ( -6.599 0.559 6.500) 9.280 11.495 ( 9.748 -3.349 -6.354) 12.109 11.673 ( 10.242 -1.691 -3.216) 10.868 11.936 ( -3.373 -1.127 3.356) 4.890 12.088 ( -7.579 -2.098 2.565) 8.272 12.210 ( -3.323 1.313 -4.323) 5.609 12.524 ( 4.151 -1.022 0.733) 4.337 13.930 ( -4.768 -4.140 1.044) 6.400 14.120 ( -2.743 -1.009 -1.486) 3.279 14.358 ( -6.697 3.094 6.388) 9.759 14.689 ( 3.398 -6.260 3.988) 8.163 20.981 ( -2.771 0.518 0.652) 2.893 21.047 ( 3.227 1.018 2.676) 4.314 21.693 ( -4.223 -0.138 4.629) 6.268 21.858 ( 1.935 -3.049 1.564) 3.936 22.096 ( 1.482 4.733 4.821) 6.916 22.253 ( -0.277 6.615 5.110) 8.363 22.577 ( -2.046 3.559 -5.475) 6.843 22.814 ( 0.518 12.185 -3.741) 12.756 23.309 ( -0.121 -3.153 -7.719) 8.339 23.368 ( -0.196 2.071 -9.321) 9.550 23.482 ( -1.421 -0.140 0.216) 1.444 23.579 ( -0.419 1.723 -1.399) 2.259 23.828 ( 1.666 -4.159 4.642) 6.451 23.869 ( -0.457 0.982 3.766) 3.919 24.301 ( -3.760 0.183 10.299) 10.965 25.182 ( 4.219 -5.200 -9.339) 11.492 ======================= Grid point 141 (72/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -15.861 8.349 2.332) 18.075 1.214 ( -15.936 8.255 1.141) 17.983 1.783 ( 2.478 -2.869 1.602) 4.116 1.869 ( -0.793 -2.588 -4.148) 4.953 1.955 ( -9.074 7.361 0.327) 11.689 2.183 ( 1.192 5.232 1.762) 5.648 2.217 ( -2.812 1.390 -1.315) 3.401 2.256 ( 2.780 1.684 0.982) 3.396 2.489 ( -10.866 -3.320 5.846) 12.778 2.761 ( -12.495 -4.052 4.581) 13.912 2.936 ( -8.395 9.379 -5.910) 13.906 3.088 ( -5.788 -2.139 -4.931) 7.899 3.218 ( -8.629 -1.403 -6.318) 10.787 3.367 ( 2.320 5.226 2.301) 6.163 3.539 ( -2.614 5.032 -0.104) 5.671 3.669 ( 1.720 -1.181 -1.632) 2.649 3.944 ( -0.755 4.277 -1.719) 4.671 3.994 ( -3.160 4.265 0.917) 5.387 4.124 ( -3.529 2.508 1.330) 4.529 4.226 ( -6.319 -2.771 1.667) 7.098 4.475 ( 1.614 6.108 -7.743) 9.994 4.749 ( 2.085 -9.270 0.208) 9.504 4.926 ( -0.644 7.672 0.215) 7.702 5.145 ( -1.793 5.141 0.210) 5.449 5.463 ( -8.564 -1.382 1.304) 8.772 5.692 ( -3.753 0.817 4.341) 5.796 5.882 ( -7.009 -3.874 -6.303) 10.191 6.029 ( -15.932 -0.910 -1.645) 16.042 6.054 ( -5.649 2.117 -0.361) 6.044 6.229 ( -1.007 -4.521 0.025) 4.632 6.239 ( 0.925 -3.112 -6.726) 7.469 6.603 ( 3.302 -7.001 -0.822) 7.784 6.840 ( -4.634 2.394 -5.714) 7.737 7.084 ( 8.367 0.842 -2.858) 8.881 7.382 ( -6.106 2.022 1.923) 6.713 7.920 ( 7.036 -0.244 -3.935) 8.065 8.411 ( -5.029 -2.047 8.742) 10.291 9.025 ( 7.232 -8.221 0.712) 10.972 9.425 ( -0.509 1.113 4.048) 4.229 9.632 ( 1.173 9.624 -0.524) 9.710 9.806 ( 5.231 7.500 3.096) 9.654 9.915 ( 8.229 5.954 -0.876) 10.195 10.205 ( 9.628 -0.375 7.646) 12.300 10.491 ( 11.876 -0.552 -3.346) 12.351 11.000 ( -5.740 1.700 -0.495) 6.007 11.145 ( -1.825 -1.098 6.236) 6.590 11.560 ( 6.746 -4.754 -7.006) 10.826 11.702 ( 3.359 -0.934 -8.439) 9.131 11.922 ( -4.919 -0.397 0.944) 5.024 12.126 ( -0.483 -1.089 6.373) 6.483 12.154 ( 3.223 0.513 6.123) 6.939 12.589 ( 4.606 -2.108 -2.250) 5.543 13.822 ( -11.146 -4.767 2.833) 12.449 14.015 ( -6.841 -1.712 -2.419) 7.456 14.286 ( -10.896 2.391 5.750) 12.550 14.748 ( -1.340 -10.587 1.297) 10.750 20.941 ( -1.254 3.295 -0.792) 3.614 21.191 ( 7.431 -1.157 5.663) 9.415 21.696 ( -2.954 -0.704 5.665) 6.428 21.904 ( 1.252 -5.162 1.558) 5.535 22.227 ( 4.176 11.461 10.168) 15.880 22.318 ( 0.133 9.864 4.758) 10.953 22.467 ( -1.550 0.369 -6.432) 6.626 22.770 ( 2.435 12.236 -7.027) 14.318 23.219 ( -0.276 -2.198 -6.437) 6.808 23.250 ( -1.661 1.288 -6.508) 6.839 23.464 ( -1.593 -0.953 0.713) 1.988 23.562 ( -0.290 2.247 -0.273) 2.282 23.872 ( -1.046 -3.031 1.113) 3.394 23.913 ( 0.137 -1.631 3.821) 4.157 24.327 ( -8.612 0.353 11.093) 14.048 25.090 ( 1.076 -7.118 -14.200) 15.921 ======================= Grid point 142 (73/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -14.927 11.295 4.901) 19.350 1.045 ( -17.010 7.609 15.486) 24.229 1.647 ( -22.513 18.175 2.420) 29.035 1.814 ( 0.515 -0.547 -0.261) 0.795 1.875 ( 2.238 -6.523 -4.065) 8.006 2.064 ( -10.710 -1.857 -2.629) 11.183 2.214 ( -0.254 3.248 -1.098) 3.438 2.336 ( -0.324 2.050 4.114) 4.608 2.378 ( -8.126 -1.172 3.948) 9.110 2.661 ( -6.704 -3.757 1.133) 7.768 2.712 ( -11.206 4.889 -0.543) 12.238 2.918 ( -5.795 3.758 -1.466) 7.061 3.016 ( -8.324 -3.589 0.451) 9.076 3.436 ( 3.229 11.182 2.406) 11.885 3.589 ( 3.805 0.586 5.602) 6.798 3.691 ( 2.707 -1.434 -0.808) 3.168 3.888 ( -1.974 2.724 0.108) 3.366 3.936 ( -3.527 2.525 -3.949) 5.866 4.092 ( -2.817 5.802 3.876) 7.524 4.171 ( -0.780 -3.852 1.238) 4.121 4.445 ( 2.592 9.526 -2.961) 10.307 4.763 ( -0.917 -1.805 -2.289) 3.056 4.882 ( -7.124 -1.844 2.568) 7.794 5.092 ( -5.333 2.962 -0.458) 6.117 5.358 ( -8.766 -0.185 4.812) 10.002 5.652 ( -7.071 -3.071 -4.290) 8.822 5.666 ( -2.169 -1.685 -2.797) 3.920 5.780 ( -12.643 1.779 3.894) 13.348 5.916 ( -6.888 2.402 0.116) 7.296 6.199 ( -1.999 -7.993 -1.396) 8.357 6.330 ( 6.147 -1.907 4.956) 8.123 6.534 ( -5.579 -10.456 -10.362) 15.742 6.709 ( -4.793 3.701 -3.906) 7.206 7.123 ( 4.442 1.614 -5.190) 7.020 7.390 ( 0.841 -2.350 3.853) 4.590 7.972 ( 4.980 -2.497 -4.078) 6.904 8.449 ( -5.850 -2.003 10.579) 12.253 9.141 ( 5.251 -10.313 1.287) 11.644 9.461 ( 0.717 4.418 1.533) 4.731 9.595 ( 1.562 13.332 -8.114) 15.685 9.877 ( 1.241 9.648 -2.158) 9.964 10.026 ( 6.099 4.283 0.327) 7.460 10.490 ( 12.518 -2.265 6.155) 14.132 10.658 ( 13.805 -0.420 -5.568) 14.891 10.927 ( 1.520 2.163 -3.315) 4.240 11.237 ( 4.442 -0.857 3.675) 5.828 11.455 ( -3.402 -2.783 -13.772) 14.457 11.651 ( -0.301 -2.491 -2.732) 3.709 11.906 ( -2.056 0.441 7.406) 7.699 12.170 ( 5.057 1.135 0.417) 5.199 12.404 ( 7.661 -2.218 11.945) 14.363 12.624 ( 4.158 -2.584 -3.231) 5.866 13.636 ( -17.362 -5.344 5.429) 18.960 13.843 ( -9.366 -4.411 -3.057) 10.795 14.152 ( -13.061 1.230 5.212) 14.117 14.633 ( -12.082 -14.314 -3.597) 19.074 20.921 ( 0.536 4.884 -1.648) 5.182 21.397 ( 9.213 -4.859 2.458) 10.702 21.737 ( -1.720 -3.977 6.272) 7.623 21.944 ( 0.322 -6.091 3.665) 7.116 22.288 ( -1.776 5.686 -6.123) 8.543 22.434 ( 0.070 5.454 4.193) 6.880 22.563 ( 14.480 14.439 15.979) 25.951 22.746 ( 7.540 14.871 -5.004) 17.408 23.147 ( 0.550 -1.541 -5.141) 5.395 23.171 ( -1.168 -0.168 -1.578) 1.970 23.444 ( -1.884 -1.760 0.458) 2.618 23.562 ( -0.220 2.668 1.042) 2.873 23.839 ( -1.773 -3.568 -2.180) 4.542 23.943 ( -0.547 -1.651 1.127) 2.072 24.304 ( -11.192 0.702 12.066) 16.473 24.798 ( -9.626 -5.834 -25.777) 28.127 ======================= Grid point 143 (74/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -17.258 8.732 8.630) 21.179 0.992 ( -13.632 12.463 16.759) 24.940 1.454 ( -12.586 16.235 20.040) 28.699 1.742 ( -7.774 -1.255 -8.918) 11.897 1.810 ( -9.584 -0.227 -1.981) 9.789 1.895 ( 6.038 1.177 -3.386) 7.022 2.140 ( -1.560 -5.675 -4.717) 7.542 2.237 ( -7.208 -0.638 -1.289) 7.350 2.367 ( -4.507 4.747 -2.903) 7.161 2.551 ( -3.787 1.548 2.024) 4.565 2.634 ( -0.451 -0.944 4.229) 4.356 2.853 ( -3.186 3.495 1.603) 4.994 2.989 ( -0.297 -5.325 1.405) 5.515 3.491 ( -3.115 1.497 2.409) 4.213 3.706 ( 0.962 -1.686 4.117) 4.551 3.717 ( 1.918 -1.760 -2.808) 3.829 3.810 ( -0.214 -3.037 -4.484) 5.420 4.017 ( 5.747 6.338 2.757) 8.989 4.191 ( 6.497 -1.030 6.750) 9.425 4.298 ( 14.196 9.763 10.619) 20.239 4.491 ( 6.849 9.423 0.112) 11.650 4.633 ( -4.673 4.858 -7.969) 10.438 4.789 ( -9.307 -8.663 4.693) 13.553 5.011 ( -5.773 -1.310 4.712) 7.566 5.246 ( -10.938 2.579 2.729) 11.564 5.512 ( -7.735 -3.979 -5.182) 10.124 5.587 ( -2.494 -7.694 -0.983) 8.148 5.766 ( 1.462 5.176 6.756) 8.635 5.869 ( -0.028 3.981 -2.221) 4.558 5.965 ( -21.781 -7.637 -7.128) 24.157 6.285 ( -3.556 -3.004 -4.716) 6.627 6.513 ( 2.642 -3.459 7.995) 9.103 6.581 ( -2.684 6.137 -1.401) 6.843 7.148 ( 4.900 1.667 -3.838) 6.443 7.452 ( 0.890 -5.477 3.085) 6.349 7.974 ( 2.324 -4.890 -5.545) 7.750 8.458 ( -8.727 -0.396 10.705) 13.817 9.218 ( 4.888 -7.271 -4.161) 9.699 9.468 ( -0.523 4.959 -1.098) 5.106 9.508 ( 3.017 15.077 -11.904) 19.445 9.795 ( -2.314 6.643 -7.934) 10.603 10.098 ( 0.672 4.631 -1.296) 4.855 10.567 ( -8.597 -3.708 -6.388) 11.334 10.804 ( 12.279 -0.724 -6.667) 13.991 10.971 ( 10.087 0.891 -1.687) 10.266 11.326 ( 4.115 -1.274 -2.887) 5.185 11.343 ( 6.514 0.605 -4.864) 8.152 11.597 ( -0.253 -3.818 -4.436) 5.859 12.053 ( 6.503 0.860 9.576) 11.607 12.266 ( 2.558 -0.100 2.285) 3.431 12.669 ( 4.650 -2.255 -0.343) 5.180 12.708 ( 13.519 -5.261 11.069) 18.248 13.404 ( -20.488 -5.677 10.207) 23.583 13.667 ( -8.119 -8.341 -0.246) 11.643 14.003 ( -11.897 0.105 4.922) 12.875 14.285 ( -21.812 -7.371 -2.584) 23.169 20.915 ( 1.072 4.814 -1.413) 5.131 21.498 ( 3.283 -5.916 -3.577) 7.653 21.742 ( -3.317 -2.388 1.186) 4.256 22.020 ( 0.375 -8.813 6.880) 11.187 22.170 ( -1.649 0.520 -7.477) 7.675 22.496 ( 0.414 9.880 4.048) 10.685 22.677 ( 3.224 3.290 -4.869) 6.703 23.071 ( 5.839 3.135 -2.861) 7.219 23.129 ( 1.934 -0.962 -1.290) 2.516 23.361 ( 11.696 7.356 2.701) 14.079 23.421 ( 5.996 -4.413 7.525) 10.586 23.615 ( 6.466 2.778 8.459) 11.004 23.772 ( -0.698 -3.844 -4.347) 5.845 23.908 ( -3.345 -0.610 -4.618) 5.735 24.108 ( -24.081 9.406 -15.996) 30.402 24.298 ( -8.439 5.424 4.908) 11.168 ======================= Grid point 144 (75/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 5.816 14.721 0.864) 15.851 1.288 ( -5.521 9.878 8.378) 14.080 1.463 ( -3.405 0.482 -12.705) 13.162 1.643 ( 0.576 -2.805 2.469) 3.781 1.759 ( -1.535 2.611 -1.678) 3.463 2.011 ( 6.208 -3.919 -3.718) 8.229 2.036 ( 0.432 0.827 -1.469) 1.741 2.128 ( 1.767 0.712 -3.243) 3.761 2.412 ( 0.703 9.461 5.202) 10.820 2.574 ( 0.914 -0.376 -0.750) 1.241 2.722 ( 1.384 -2.668 6.879) 7.507 2.814 ( 1.125 -0.860 -2.519) 2.889 3.065 ( -1.747 7.988 3.813) 9.022 3.388 ( 0.716 -2.192 -2.519) 3.415 3.570 ( -2.399 -8.683 -0.632) 9.030 3.738 ( 2.022 -5.911 6.888) 9.299 3.897 ( -2.567 11.810 4.791) 13.000 4.223 ( -1.115 5.990 2.669) 6.651 4.311 ( 3.557 -1.074 4.562) 5.884 4.471 ( -7.667 -1.237 3.517) 8.525 4.586 ( -0.955 -3.436 0.066) 3.567 4.676 ( 3.854 1.451 -4.257) 5.923 4.778 ( -0.434 6.070 9.223) 11.050 5.032 ( -2.253 0.889 9.821) 10.115 5.210 ( 9.729 1.643 -4.660) 10.912 5.373 ( -2.046 3.927 1.269) 4.607 5.452 ( -0.912 0.383 -0.552) 1.133 5.652 ( 0.014 -2.667 -5.334) 5.963 5.857 ( 4.163 -1.822 -2.287) 5.087 6.037 ( 7.381 -6.005 3.316) 10.077 6.204 ( -1.702 6.169 2.315) 6.805 6.487 ( -4.735 0.633 5.113) 6.998 6.853 ( 7.816 7.264 5.424) 11.970 7.184 ( -0.718 0.912 -3.321) 3.518 7.341 ( 1.761 -7.870 1.433) 8.191 7.791 ( 3.537 -9.179 -6.601) 11.846 8.509 ( -6.138 4.913 10.333) 12.984 9.046 ( -1.441 -9.637 0.691) 9.768 9.565 ( 1.521 7.781 -9.342) 12.253 9.662 ( 4.228 10.542 -17.049) 20.486 9.787 ( -1.990 9.413 -7.513) 12.207 10.123 ( -6.990 12.187 -9.633) 17.035 10.309 ( -7.537 -3.680 1.552) 8.529 10.818 ( 3.865 -4.565 -8.915) 10.736 11.140 ( 5.811 -0.178 0.793) 5.867 11.200 ( -4.077 -1.519 -4.322) 6.133 11.353 ( 3.403 -2.093 -7.701) 8.676 11.451 ( 2.385 -6.145 -5.236) 8.418 12.232 ( -0.602 0.674 3.314) 3.435 12.278 ( -2.764 -0.098 3.036) 4.107 12.710 ( 1.727 -2.555 3.973) 5.029 12.838 ( 4.070 -10.069 7.702) 13.314 13.238 ( -4.447 -1.061 11.520) 12.395 13.463 ( 0.250 -6.199 7.625) 9.830 13.938 ( -4.962 2.306 2.795) 6.145 14.016 ( -6.057 -0.328 1.555) 6.262 20.998 ( 0.693 3.992 -1.755) 4.415 21.309 ( -2.373 -5.002 -4.669) 7.242 21.748 ( -1.506 0.896 3.008) 3.481 21.918 ( -1.807 -7.291 3.750) 8.396 22.117 ( -0.663 5.631 -5.487) 7.891 22.487 ( -5.468 -1.605 -8.280) 10.052 22.897 ( 1.062 6.955 2.332) 7.412 23.026 ( -4.699 3.956 4.527) 7.630 23.137 ( 4.388 1.489 -0.871) 4.714 23.401 ( 4.632 4.465 -2.702) 6.978 23.551 ( -1.430 2.940 -0.918) 3.396 23.628 ( 2.694 -3.561 -5.378) 6.990 23.720 ( -2.108 0.166 -0.554) 2.186 23.929 ( -2.486 -6.943 11.934) 14.028 24.061 ( -5.463 10.719 -2.133) 12.219 24.489 ( 13.368 0.277 -2.594) 13.621 ======================= Grid point 145 (76/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 18.508 8.607 -0.672) 20.422 1.240 ( 4.557 5.886 -0.793) 7.487 1.421 ( 3.805 1.102 0.947) 4.073 1.687 ( 3.252 0.579 -3.207) 4.604 1.803 ( 7.417 -1.996 0.573) 7.702 1.945 ( -2.877 -0.415 -4.371) 5.250 1.993 ( 2.355 -2.917 -4.734) 6.039 2.222 ( 4.362 -0.433 -1.539) 4.645 2.529 ( -1.990 4.842 8.488) 9.972 2.658 ( 8.908 -4.573 -6.323) 11.842 2.758 ( 7.581 1.670 4.876) 9.167 2.939 ( 8.005 0.460 1.375) 8.135 3.120 ( 7.062 5.056 1.681) 8.846 3.417 ( 4.009 1.623 -1.879) 4.716 3.588 ( 0.603 -5.092 5.021) 7.177 3.793 ( -1.443 -2.535 0.882) 3.047 3.898 ( -2.326 5.487 2.913) 6.633 4.155 ( -8.648 2.198 3.248) 9.496 4.348 ( 1.304 -0.503 -1.580) 2.110 4.465 ( 0.179 6.888 -1.612) 7.077 4.612 ( -2.461 -2.765 7.363) 8.241 4.669 ( 2.045 1.000 5.852) 6.279 4.953 ( 4.902 6.789 4.533) 9.522 5.091 ( -1.741 1.228 6.754) 7.082 5.357 ( 11.597 2.664 -1.231) 11.962 5.425 ( 5.185 4.710 -1.541) 7.172 5.513 ( 9.855 2.435 -0.616) 10.170 5.649 ( 8.141 -2.059 -5.476) 10.025 5.907 ( 4.347 -2.105 -2.739) 5.552 6.142 ( 5.662 -5.314 -4.385) 8.918 6.279 ( 2.399 4.872 7.157) 8.984 6.509 ( 1.848 2.721 5.372) 6.299 7.064 ( 6.788 1.529 5.410) 8.813 7.102 ( -2.655 -0.125 -3.157) 4.127 7.372 ( 1.238 -4.302 -0.295) 4.487 7.794 ( 6.800 -6.901 -8.154) 12.663 8.543 ( -5.145 4.190 11.671) 13.426 8.984 ( -5.284 -6.820 -0.767) 8.662 9.444 ( 2.760 7.515 -14.220) 16.319 9.510 ( 1.621 11.070 -16.681) 20.086 9.712 ( -1.912 9.100 1.092) 9.363 9.922 ( -4.282 11.869 -5.007) 13.574 10.217 ( -10.978 -4.151 5.182) 12.830 10.712 ( -3.566 -9.039 -6.785) 11.852 11.046 ( -6.496 0.463 -2.698) 7.050 11.193 ( -1.596 -1.878 -1.870) 3.094 11.312 ( 2.089 -1.891 -3.878) 4.794 11.423 ( 3.453 -4.602 -6.812) 8.917 12.226 ( -4.796 0.142 5.462) 7.270 12.230 ( -4.604 0.583 0.010) 4.641 12.724 ( -5.366 -3.491 3.386) 7.242 12.795 ( -13.957 -6.747 3.862) 15.976 13.448 ( 10.746 -3.658 7.316) 13.505 13.662 ( 12.813 -6.657 2.131) 14.596 13.968 ( 4.139 2.028 3.754) 5.944 14.049 ( 4.898 -0.169 3.859) 6.238 20.993 ( -0.404 2.432 0.437) 2.504 21.194 ( -3.703 -1.391 -4.414) 5.928 21.756 ( -2.626 0.025 3.684) 4.524 21.892 ( -3.178 -4.830 -0.681) 5.821 22.091 ( 0.096 2.765 1.374) 3.089 22.299 ( -5.931 -0.331 -5.590) 8.157 22.915 ( 1.027 4.236 -0.969) 4.465 22.997 ( -5.642 9.920 5.146) 12.519 23.224 ( 8.219 -0.353 -2.288) 8.539 23.465 ( 3.151 3.645 -2.516) 5.435 23.545 ( 3.516 2.564 1.434) 4.582 23.611 ( 2.175 -1.789 -4.432) 5.251 23.712 ( 0.939 2.114 1.750) 2.901 23.941 ( -10.937 -4.645 9.255) 15.061 23.987 ( 0.005 11.281 -3.075) 11.692 24.715 ( 16.417 -7.347 -3.789) 18.380 ======================= Grid point 146 (77/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 6.762 1.888 6.065) 9.277 1.482 ( 0.333 -1.380 3.419) 3.702 1.542 ( 11.783 5.167 1.581) 12.963 1.789 ( 6.863 5.866 -0.185) 9.030 1.821 ( 8.104 0.111 -8.058) 11.429 1.967 ( 5.892 -1.763 0.057) 6.150 2.016 ( 5.093 -6.659 -1.766) 8.567 2.227 ( 1.756 -0.931 -2.560) 3.241 2.544 ( -2.936 4.465 2.284) 5.811 2.701 ( 10.045 -10.903 -7.781) 16.743 3.002 ( 3.287 2.678 4.389) 6.102 3.101 ( 15.272 4.928 0.915) 16.074 3.296 ( 8.456 4.522 1.057) 9.647 3.438 ( 1.751 4.260 -2.451) 5.217 3.675 ( 1.502 2.018 5.049) 5.641 3.719 ( -5.227 -2.402 -2.768) 6.384 3.923 ( 2.110 -0.977 2.389) 3.334 4.080 ( -3.574 -3.703 1.550) 5.374 4.368 ( 4.549 1.695 -3.088) 5.754 4.451 ( 2.724 10.085 -2.686) 10.786 4.636 ( -6.100 -2.126 6.912) 9.461 4.835 ( 4.845 -1.353 7.440) 8.981 4.986 ( -0.468 6.763 1.196) 6.884 5.196 ( 3.068 0.646 5.118) 6.002 5.490 ( 8.086 6.966 -6.392) 12.441 5.527 ( 8.963 6.319 -1.617) 11.085 5.670 ( 13.352 -0.689 -3.512) 13.823 5.811 ( 13.070 -1.259 -1.362) 13.201 5.928 ( 3.648 -1.054 -3.333) 5.052 6.165 ( 4.399 -0.113 -2.866) 5.251 6.407 ( 4.553 3.180 4.072) 6.886 6.645 ( 5.685 1.437 2.784) 6.492 6.972 ( -5.246 -0.368 -4.227) 6.747 7.252 ( 6.567 -2.012 5.213) 8.623 7.387 ( 2.114 -1.567 -2.352) 3.530 7.791 ( 6.017 -4.031 -9.282) 11.773 8.644 ( -1.872 0.386 13.709) 13.842 8.880 ( -7.383 -4.331 1.377) 8.669 9.298 ( -2.947 8.015 -13.489) 15.965 9.353 ( 3.753 8.014 -10.123) 13.446 9.732 ( -1.585 6.945 5.263) 8.857 9.845 ( -1.524 11.229 -1.016) 11.378 10.070 ( -13.813 -3.371 6.021) 15.441 10.570 ( -7.082 -8.398 -1.815) 11.134 10.932 ( -3.333 2.173 -1.290) 4.183 11.127 ( -2.577 -2.798 -0.490) 3.835 11.299 ( 0.710 -2.487 -2.635) 3.693 11.403 ( 4.362 -3.454 -6.710) 8.717 12.154 ( -3.942 -0.104 -0.414) 3.965 12.228 ( -2.569 -0.556 4.767) 5.444 12.579 ( -14.977 -3.318 2.115) 15.486 12.642 ( -7.785 -3.866 1.519) 8.824 13.694 ( 11.473 -2.344 2.034) 11.885 13.850 ( 10.295 -5.091 -2.258) 11.705 14.124 ( 5.954 0.857 5.440) 8.110 14.235 ( 9.054 -1.017 5.261) 10.521 20.987 ( -1.734 1.085 1.131) 2.337 21.105 ( -2.007 -0.237 -1.981) 2.829 21.745 ( -4.198 -0.942 3.623) 5.625 21.831 ( -2.715 -1.696 -0.266) 3.212 22.116 ( -1.225 0.958 2.133) 2.640 22.180 ( -2.271 1.373 -1.048) 2.854 22.914 ( 0.146 9.007 -1.551) 9.140 22.986 ( -1.242 7.424 3.286) 8.213 23.339 ( 7.381 -4.496 -0.651) 8.667 23.448 ( 0.650 -2.087 -3.360) 4.009 23.589 ( 0.743 0.514 -2.883) 3.021 23.654 ( 5.249 2.549 1.523) 6.030 23.760 ( 1.535 2.515 -0.215) 2.954 23.834 ( -10.030 -1.555 3.439) 10.716 24.002 ( 4.603 13.036 0.122) 13.825 24.907 ( 12.662 -9.341 -4.378) 16.332 ======================= Grid point 147 (78/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.020 0.602 0.807) 1.008 1.525 ( 4.644 0.098 9.812) 10.856 1.640 ( 2.886 2.768 1.757) 4.368 1.817 ( 4.036 3.230 -2.652) 5.810 1.955 ( 3.816 -1.371 -0.463) 4.081 2.012 ( 5.256 -0.691 -1.692) 5.565 2.145 ( 6.115 -3.471 3.167) 7.712 2.261 ( 6.006 -3.512 -3.302) 7.701 2.508 ( -3.119 7.325 0.546) 7.980 2.797 ( 9.191 -9.660 -3.411) 13.764 3.037 ( -1.071 1.609 1.465) 2.426 3.320 ( 7.277 1.442 -2.519) 7.834 3.363 ( 1.852 6.392 -0.836) 6.708 3.456 ( 3.242 4.381 -0.221) 5.454 3.582 ( -3.453 3.898 -2.996) 6.008 3.790 ( 4.023 0.836 2.744) 4.941 3.964 ( 1.584 -3.405 -2.146) 4.326 4.087 ( 1.189 -9.592 1.560) 9.790 4.372 ( 3.976 9.066 -7.926) 12.681 4.497 ( 4.144 7.879 -1.160) 8.978 4.607 ( -2.285 -0.274 1.515) 2.756 4.892 ( -2.820 -1.638 -0.667) 3.329 5.071 ( 2.036 5.872 7.204) 9.514 5.272 ( 1.493 0.616 -0.655) 1.743 5.524 ( 6.204 4.206 -5.187) 9.115 5.653 ( 8.014 4.747 -0.757) 9.345 5.819 ( 9.250 1.305 -3.150) 9.858 5.938 ( 3.461 0.059 -4.096) 5.363 5.971 ( 9.492 -3.855 -3.856) 10.946 6.274 ( 8.893 1.906 1.067) 9.158 6.500 ( 4.428 1.226 -2.103) 5.053 6.730 ( 1.694 1.164 0.146) 2.061 6.839 ( -2.691 5.019 -4.296) 7.133 7.351 ( 2.177 3.494 -7.505) 8.560 7.431 ( 3.479 -8.260 7.190) 11.490 7.777 ( 5.560 -3.318 -8.216) 10.461 8.766 ( -10.244 -1.622 2.959) 10.785 8.776 ( -3.797 -2.904 11.786) 12.719 9.110 ( 0.194 5.533 -8.246) 9.932 9.351 ( 3.810 3.593 -0.831) 5.302 9.762 ( -2.372 6.939 4.732) 8.728 9.826 ( -1.589 10.091 2.304) 10.472 9.962 ( -9.484 0.329 8.720) 12.888 10.437 ( -6.921 -5.450 -0.296) 8.814 10.925 ( 1.846 2.049 1.579) 3.178 11.113 ( -1.355 -3.023 3.105) 4.540 11.290 ( 2.351 -3.246 -1.971) 4.466 11.407 ( 5.710 -3.418 -5.798) 8.826 12.084 ( -3.874 -1.100 -1.008) 4.152 12.242 ( -3.694 -3.151 3.453) 5.958 12.390 ( -7.114 0.980 -0.621) 7.208 12.525 ( -7.590 -2.777 0.796) 8.122 13.854 ( 7.336 -1.606 -1.890) 7.744 13.980 ( 7.853 -4.471 -0.536) 9.053 14.274 ( 3.094 1.372 6.551) 7.373 14.420 ( 5.367 -1.430 4.438) 7.109 20.969 ( -1.155 1.049 0.553) 1.655 21.069 ( -1.598 -1.171 0.082) 1.983 21.716 ( -4.388 -1.011 3.685) 5.818 21.800 ( -2.032 -1.142 1.286) 2.662 22.095 ( -0.841 3.631 0.343) 3.743 22.203 ( 0.114 1.495 4.538) 4.779 22.880 ( -1.401 9.821 -1.889) 10.099 23.031 ( 1.820 8.211 2.162) 8.683 23.391 ( -0.432 -4.394 -3.583) 5.686 23.452 ( 4.913 -6.634 -1.803) 8.450 23.558 ( -2.005 0.852 -0.117) 2.181 23.695 ( -3.213 2.589 -0.968) 4.239 23.743 ( 3.455 3.113 -7.040) 8.438 23.771 ( 0.471 0.002 2.857) 2.896 24.128 ( 5.048 11.419 5.440) 13.619 25.024 ( 8.820 -9.166 -5.291) 13.777 ======================= Grid point 148 (79/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -1.637 1.337 -1.444) 2.560 1.637 ( -2.757 0.700 3.590) 4.581 1.708 ( 0.427 4.029 1.477) 4.312 1.863 ( 1.506 -1.572 0.627) 2.265 1.975 ( 3.692 -2.103 1.641) 4.555 2.114 ( 5.130 3.131 0.812) 6.065 2.220 ( -0.801 -1.850 0.128) 2.020 2.319 ( 3.147 -3.942 0.730) 5.097 2.484 ( -0.834 7.612 1.827) 7.873 2.881 ( 3.223 -7.428 -1.203) 8.186 3.039 ( -1.057 0.171 2.545) 2.761 3.311 ( -0.285 2.987 -1.504) 3.357 3.383 ( 0.311 -3.108 -1.260) 3.368 3.462 ( -0.098 5.415 -3.716) 6.568 3.574 ( 4.589 8.549 -3.070) 10.177 3.846 ( 0.470 0.395 0.493) 0.788 3.936 ( 0.361 -2.708 -4.471) 5.240 4.119 ( 1.820 -11.226 -0.568) 11.387 4.339 ( 1.434 12.104 -4.436) 12.971 4.496 ( -1.537 8.987 -3.718) 9.847 4.613 ( 1.602 -0.899 -1.018) 2.100 4.780 ( -5.121 1.116 -4.753) 7.076 5.144 ( -1.442 5.169 2.812) 6.059 5.212 ( -4.572 0.685 -1.658) 4.912 5.598 ( 5.820 0.332 -0.222) 5.834 5.747 ( 4.645 5.860 -2.530) 7.893 5.911 ( 5.561 -3.822 -4.473) 8.095 5.953 ( 3.804 -1.841 0.842) 4.309 6.044 ( 4.644 -0.835 -4.024) 6.201 6.396 ( 3.592 1.296 -1.239) 4.015 6.500 ( 3.057 -1.103 -6.678) 7.427 6.645 ( -5.022 0.259 -5.429) 7.400 6.862 ( 5.328 9.452 0.906) 10.888 7.241 ( -3.211 0.749 -8.765) 9.365 7.538 ( -0.140 -4.093 4.344) 5.970 7.786 ( 6.466 -3.078 -5.889) 9.272 8.595 ( -13.483 0.794 2.085) 13.666 8.769 ( -4.638 -4.667 3.029) 7.244 9.178 ( 7.191 2.257 4.725) 8.896 9.451 ( 4.571 -0.167 5.580) 7.215 9.773 ( -0.617 7.669 2.292) 8.028 9.868 ( 1.502 9.699 3.621) 10.461 9.969 ( -3.019 4.070 9.267) 10.562 10.353 ( -2.108 -3.097 -0.719) 3.815 10.989 ( 0.236 -0.224 4.454) 4.466 11.145 ( -1.818 -1.499 5.312) 5.811 11.338 ( 5.622 -3.958 -1.343) 7.006 11.466 ( 8.734 -4.032 -3.156) 10.125 11.995 ( -4.936 -0.690 -1.417) 5.181 12.149 ( -8.419 -3.030 1.115) 9.017 12.337 ( -1.259 1.273 -3.162) 3.634 12.449 ( -1.748 -1.415 2.129) 3.097 13.902 ( 1.529 -1.400 -1.611) 2.625 14.071 ( 3.813 -4.622 -1.388) 6.150 14.385 ( -0.628 1.789 7.791) 8.018 14.519 ( 0.570 -2.277 4.277) 4.879 20.973 ( 0.257 0.796 1.229) 1.487 21.046 ( -0.969 -0.721 -0.079) 1.211 21.696 ( -4.054 -0.798 4.369) 6.013 21.789 ( -0.892 -2.228 0.712) 2.504 22.125 ( 1.643 6.369 3.565) 7.481 22.272 ( 0.266 2.867 6.208) 6.843 22.820 ( -1.854 9.298 -3.749) 10.196 23.077 ( 0.740 11.159 1.220) 11.250 23.305 ( -1.146 -6.629 -6.983) 9.696 23.455 ( -0.930 1.248 -1.798) 2.379 23.563 ( 3.398 -6.154 -2.099) 7.336 23.633 ( -0.678 5.226 -6.108) 8.067 23.702 ( -0.471 0.831 0.874) 1.295 23.836 ( 1.526 -0.507 2.385) 2.876 24.266 ( 1.533 8.241 7.295) 11.112 25.068 ( 5.232 -8.970 -6.545) 12.275 ======================= Grid point 149 (80/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -6.110 4.639 0.898) 7.724 1.557 ( -6.957 2.860 -3.146) 8.154 1.695 ( 1.598 2.814 -2.040) 3.826 1.861 ( -3.329 -4.447 0.761) 5.607 2.076 ( 1.517 1.321 3.749) 4.254 2.170 ( -1.269 -2.142 2.840) 3.776 2.222 ( 4.283 4.158 -0.441) 5.985 2.355 ( 0.728 1.558 -0.884) 1.934 2.498 ( -3.795 2.280 5.576) 7.120 2.859 ( -3.585 -2.630 -2.134) 4.932 3.051 ( -1.926 -3.761 1.975) 4.665 3.307 ( -3.645 2.689 -0.763) 4.593 3.324 ( -0.210 -3.846 -2.394) 4.535 3.385 ( -3.470 6.127 -4.255) 8.227 3.604 ( 4.792 5.793 -4.328) 8.675 3.807 ( -1.862 1.719 -4.928) 5.542 3.929 ( 0.769 -0.851 3.628) 3.805 4.128 ( 0.650 -6.673 -1.372) 6.844 4.286 ( -5.745 8.754 -0.873) 10.507 4.344 ( -7.929 6.887 -5.088) 11.670 4.601 ( -0.565 -3.235 -2.934) 4.404 4.668 ( -1.268 2.961 -3.651) 4.869 5.086 ( -1.232 3.584 -2.439) 4.507 5.199 ( -3.071 4.785 7.548) 9.450 5.662 ( 1.327 1.322 -6.083) 6.365 5.698 ( -4.627 3.396 0.847) 5.801 5.941 ( 3.883 -4.675 -6.584) 8.960 6.011 ( 1.549 -5.691 0.223) 5.902 6.052 ( 0.633 0.891 1.248) 1.659 6.316 ( -6.744 0.759 -5.643) 8.826 6.446 ( -5.595 1.032 -4.819) 7.456 6.488 ( -2.489 -3.568 -5.601) 7.092 6.989 ( 8.245 3.413 -0.876) 8.967 7.061 ( -3.381 3.960 -8.065) 9.600 7.520 ( -6.547 -0.511 2.168) 6.916 7.841 ( 7.117 -2.415 -4.277) 8.647 8.428 ( -9.838 0.972 3.816) 10.597 8.767 ( 0.325 -7.696 2.548) 8.113 9.360 ( 5.376 2.487 6.119) 8.516 9.627 ( 6.889 -0.205 6.441) 9.433 9.830 ( 3.916 8.414 3.236) 9.828 9.946 ( 6.204 7.932 -0.541) 10.084 10.078 ( 2.392 5.816 7.550) 9.826 10.356 ( 4.494 -2.187 -1.790) 5.309 11.037 ( -0.570 0.002 4.469) 4.505 11.148 ( -6.169 -0.347 5.103) 8.014 11.423 ( 7.664 -3.376 -3.554) 9.097 11.603 ( 9.881 -5.240 -2.639) 11.491 11.919 ( -3.970 -0.201 3.542) 5.324 12.037 ( -7.861 -2.877 3.216) 8.968 12.252 ( -2.039 2.914 -3.948) 5.314 12.487 ( 3.165 -2.776 -0.331) 4.223 13.867 ( -4.700 -1.708 -0.063) 5.001 14.058 ( -2.307 -4.892 -2.830) 6.104 14.420 ( -6.406 2.646 6.636) 9.596 14.566 ( -2.311 -5.062 5.855) 8.078 20.993 ( -0.151 0.893 1.108) 1.431 21.060 ( 3.128 0.049 0.689) 3.204 21.688 ( -3.185 -0.260 3.987) 5.110 21.791 ( 0.372 -3.462 0.393) 3.504 22.236 ( 3.848 8.170 7.096) 11.485 22.364 ( 0.223 4.213 7.932) 8.984 22.722 ( -2.259 9.858 -6.534) 12.041 23.069 ( -0.046 11.437 -3.552) 11.976 23.214 ( -0.750 -5.457 -4.594) 7.172 23.403 ( -0.469 1.691 -5.834) 6.092 23.530 ( -1.270 3.675 -4.805) 6.181 23.591 ( 2.061 -1.653 -1.821) 3.209 23.738 ( -0.660 -3.040 4.751) 5.679 23.872 ( -0.184 -1.265 1.872) 2.267 24.347 ( -3.267 5.606 8.135) 10.405 25.036 ( 1.844 -9.342 -8.171) 12.547 ======================= Grid point 150 (81/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -10.141 10.514 2.846) 14.882 1.375 ( -8.238 8.328 -3.713) 12.289 1.730 ( 4.011 -1.311 -1.080) 4.356 1.792 ( -3.861 -3.950 -0.111) 5.524 2.106 ( -2.474 2.254 1.893) 3.845 2.159 ( -4.526 -3.759 0.083) 5.884 2.295 ( 3.577 4.236 1.081) 5.648 2.335 ( -0.017 3.585 -1.823) 4.021 2.474 ( -10.262 3.091 7.036) 12.820 2.735 ( -8.150 2.802 1.501) 8.748 2.998 ( -6.294 -5.369 0.553) 8.291 3.106 ( -9.663 1.759 -8.788) 13.180 3.228 ( -8.187 5.919 -3.591) 10.721 3.392 ( 1.457 -2.823 5.181) 6.077 3.618 ( 3.967 4.534 -5.282) 8.012 3.717 ( -2.068 2.699 -2.417) 4.172 4.016 ( 2.370 0.994 2.937) 3.902 4.083 ( -3.169 -1.771 -4.149) 5.513 4.095 ( -10.256 3.687 1.322) 10.979 4.247 ( -4.408 6.332 2.730) 8.184 4.553 ( -0.167 -9.018 -0.918) 9.066 4.623 ( 0.005 3.013 -3.687) 4.762 5.080 ( -1.075 6.840 2.187) 7.261 5.258 ( -0.622 7.050 4.181) 8.220 5.444 ( -9.833 0.631 -6.761) 11.950 5.699 ( -4.933 -0.106 3.856) 6.262 5.823 ( -3.548 -2.561 -10.199) 11.098 6.020 ( -7.919 -1.591 -0.426) 8.088 6.075 ( 0.886 -4.326 3.312) 5.520 6.110 ( -11.085 2.083 -0.993) 11.323 6.223 ( -4.901 -1.036 -7.406) 8.941 6.419 ( -1.861 -9.369 -2.197) 9.802 6.915 ( -2.854 3.746 -4.771) 6.704 7.124 ( 8.913 2.970 -4.659) 10.487 7.413 ( -7.541 1.665 1.292) 7.830 7.892 ( 5.035 -3.497 -4.435) 7.566 8.376 ( -5.293 -0.279 7.582) 9.251 8.827 ( 1.873 -10.849 3.354) 11.509 9.498 ( 4.028 5.665 4.182) 8.112 9.784 ( 5.606 3.668 0.307) 6.706 9.982 ( 8.426 9.704 3.647) 13.359 10.060 ( 10.181 7.540 -4.568) 13.467 10.213 ( 4.867 1.534 5.822) 7.742 10.463 ( 11.281 -2.504 -2.327) 11.787 11.049 ( -4.299 3.014 -0.306) 5.259 11.123 ( 1.293 -0.726 3.431) 3.738 11.480 ( 5.431 -2.801 -6.206) 8.710 11.644 ( 1.944 -4.449 -6.224) 7.894 11.915 ( -4.979 -0.151 4.075) 6.436 12.064 ( -0.920 -4.108 14.541) 15.138 12.209 ( 3.255 4.158 -2.723) 5.941 12.526 ( 3.891 -4.172 -2.861) 6.382 13.743 ( -11.306 -2.563 1.590) 11.702 13.928 ( -8.508 -6.223 -3.603) 11.140 14.346 ( -11.198 3.180 5.641) 12.936 14.561 ( -7.871 -7.029 5.689) 11.989 21.002 ( 1.081 2.754 -0.589) 3.016 21.159 ( 5.982 -2.004 2.263) 6.702 21.691 ( -1.824 0.099 3.259) 3.736 21.811 ( 0.728 -4.170 1.174) 4.393 22.416 ( 4.714 5.952 5.889) 9.609 22.477 ( 1.475 6.050 10.925) 12.575 22.605 ( -0.911 12.509 -5.545) 13.713 23.009 ( 2.807 7.671 -8.553) 11.826 23.156 ( -2.548 -1.778 -1.022) 3.271 23.288 ( -1.941 2.572 -8.085) 8.704 23.482 ( -1.373 2.464 -0.317) 2.838 23.602 ( 1.771 1.209 -1.414) 2.569 23.770 ( -1.732 -5.342 2.784) 6.268 23.885 ( -0.638 -2.222 1.674) 2.854 24.364 ( -7.059 4.124 8.817) 12.024 24.921 ( -1.898 -9.366 -10.978) 14.555 ======================= Grid point 151 (82/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -7.822 15.952 -2.298) 17.914 1.230 ( -12.703 10.629 10.433) 19.575 1.760 ( 2.961 -5.113 -3.649) 6.945 1.769 ( -0.444 -3.054 0.898) 3.214 1.980 ( -12.181 3.817 -2.771) 13.062 2.036 ( -8.487 3.789 -0.326) 9.300 2.226 ( -9.261 2.217 -3.062) 10.003 2.363 ( -6.184 -0.219 1.460) 6.358 2.402 ( 4.321 2.636 3.839) 6.353 2.662 ( -5.170 4.993 -3.936) 8.195 2.840 ( -12.327 5.755 3.482) 14.043 2.914 ( -6.192 -3.112 3.303) 7.677 3.034 ( -10.391 4.418 -1.005) 11.336 3.482 ( 0.892 -7.508 6.314) 9.851 3.615 ( 2.172 4.483 -5.139) 7.157 3.698 ( 1.330 -0.249 -0.761) 1.553 3.929 ( -5.830 1.746 -4.079) 7.326 3.966 ( 0.121 3.326 -1.412) 3.616 4.171 ( 1.084 2.238 9.244) 9.573 4.244 ( -0.475 7.758 5.524) 9.536 4.573 ( -1.886 -5.931 0.195) 6.227 4.597 ( 2.950 -3.626 1.135) 4.810 5.007 ( -8.446 10.494 -3.650) 13.956 5.135 ( -9.333 1.951 -4.347) 10.479 5.355 ( -4.564 0.453 5.814) 7.406 5.573 ( -9.049 -3.703 -2.093) 9.999 5.657 ( -3.983 0.674 -7.255) 8.304 5.843 ( -9.918 3.094 2.467) 10.678 5.937 ( -4.332 -0.374 -1.626) 4.642 6.050 ( -5.455 -6.881 -1.739) 8.952 6.258 ( 2.142 -4.625 6.602) 8.341 6.340 ( -3.144 -6.944 -2.059) 7.896 6.818 ( -3.156 6.608 -3.103) 7.953 7.171 ( 5.406 2.322 -5.801) 8.263 7.332 ( -4.108 -1.889 1.640) 4.810 7.892 ( 2.056 -6.357 -5.117) 8.416 8.416 ( -3.562 0.006 9.637) 10.274 8.907 ( 1.899 -12.347 5.039) 13.470 9.595 ( 2.639 8.439 1.857) 9.035 9.818 ( 5.540 7.391 -8.622) 12.635 10.088 ( 3.439 9.216 -9.922) 13.971 10.148 ( 6.270 8.355 1.759) 10.593 10.425 ( 11.026 -3.787 4.380) 12.454 10.640 ( 14.041 -1.739 -4.635) 14.888 10.987 ( 0.359 3.974 -2.107) 4.512 11.219 ( 7.720 -1.154 -1.986) 8.054 11.407 ( -0.778 -1.643 -10.435) 10.592 11.576 ( -1.763 -4.791 -3.836) 6.385 11.933 ( -2.765 2.689 10.902) 11.564 12.187 ( 2.541 -0.254 3.529) 4.356 12.356 ( 7.632 -1.639 8.762) 11.735 12.553 ( 4.228 -4.379 -2.986) 6.780 13.541 ( -17.067 -3.359 4.264) 17.909 13.704 ( -13.255 -7.710 -2.143) 15.483 14.203 ( -13.627 3.377 5.061) 14.924 14.430 ( -14.970 -6.331 3.898) 16.715 21.012 ( 2.000 4.153 -2.215) 5.114 21.288 ( 6.152 -5.378 1.062) 8.240 21.709 ( -0.908 0.078 3.208) 3.335 21.841 ( 0.100 -4.466 2.617) 5.177 22.375 ( -1.859 4.681 -8.761) 10.105 22.636 ( -0.148 11.795 8.091) 14.304 22.714 ( 7.275 3.865 3.897) 9.113 23.022 ( 10.011 3.970 -2.013) 10.956 23.112 ( -0.884 1.858 2.220) 3.027 23.173 ( -2.186 1.156 -4.337) 4.993 23.459 ( -0.497 3.042 -1.071) 3.263 23.615 ( 1.097 2.314 -0.225) 2.570 23.743 ( -2.528 -5.141 -0.878) 5.796 23.894 ( -0.642 -3.320 1.018) 3.531 24.342 ( -8.772 3.580 9.075) 13.119 24.688 ( -6.785 -5.025 -15.165) 17.357 ======================= Grid point 152 (83/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -12.182 15.805 0.753) 19.969 1.236 ( -7.309 11.824 15.038) 20.478 1.667 ( -6.396 -1.874 -7.059) 9.708 1.756 ( -9.567 3.002 -1.852) 10.197 1.783 ( 0.593 -1.158 -0.073) 1.303 1.946 ( -0.746 4.381 0.038) 4.444 2.053 ( -3.931 -1.421 -2.245) 4.744 2.242 ( -5.357 -0.121 -5.471) 7.658 2.468 ( -2.731 4.535 -8.976) 10.421 2.545 ( 4.418 1.575 6.442) 7.968 2.681 ( -10.500 2.790 0.874) 10.900 2.886 ( -5.698 -0.396 1.470) 5.898 2.992 ( -1.926 6.493 11.515) 13.359 3.499 ( -5.551 -2.944 -6.343) 8.929 3.598 ( 2.101 -7.962 8.570) 11.885 3.665 ( -1.879 -4.404 -6.321) 7.930 3.856 ( -1.915 8.612 5.328) 10.306 4.094 ( 9.518 3.145 3.420) 10.591 4.230 ( -1.621 3.257 5.447) 6.551 4.462 ( 9.452 4.907 12.191) 16.188 4.542 ( -5.579 -6.174 4.912) 9.663 4.638 ( 1.676 -1.920 -3.857) 4.623 4.806 ( -3.590 10.669 -7.274) 13.403 4.991 ( -7.044 -1.253 5.802) 9.211 5.272 ( -8.773 0.046 -1.427) 8.888 5.467 ( -3.570 -2.910 1.393) 4.811 5.490 ( -6.118 1.034 -4.468) 7.646 5.785 ( -2.846 -5.398 -2.308) 6.524 5.861 ( -6.988 -1.498 -2.885) 7.707 5.919 ( 1.108 0.137 2.049) 2.333 6.231 ( -3.341 0.117 0.555) 3.389 6.440 ( 0.949 -3.355 9.475) 10.096 6.752 ( -0.228 10.014 -0.749) 10.044 7.192 ( 4.245 3.329 -3.655) 6.516 7.312 ( -1.084 -8.020 1.606) 8.251 7.841 ( 0.416 -8.916 -5.719) 10.601 8.473 ( -4.552 2.544 9.983) 11.263 9.006 ( 1.966 -12.068 4.471) 13.019 9.618 ( 0.544 9.052 -2.229) 9.338 9.775 ( 6.127 9.164 -14.163) 17.948 9.949 ( -0.947 8.209 -13.455) 15.790 10.225 ( 1.208 6.887 -0.248) 6.997 10.500 ( -3.880 -2.109 -7.286) 8.520 10.787 ( 11.862 -1.317 -7.388) 14.037 11.011 ( 6.729 3.560 -1.818) 7.827 11.280 ( 1.764 -2.553 -2.830) 4.200 11.346 ( 7.708 -0.957 -7.307) 10.665 11.492 ( -0.671 -6.429 -5.253) 8.329 12.093 ( 4.695 3.144 10.627) 12.036 12.260 ( 0.151 -0.543 3.703) 3.746 12.594 ( 7.550 -4.617 7.731) 11.751 12.615 ( 5.439 -3.465 2.177) 6.807 13.316 ( -17.689 -2.298 8.516) 19.766 13.496 ( -11.361 -7.488 3.627) 14.082 14.041 ( -11.998 2.831 4.094) 12.989 14.195 ( -16.195 -2.823 2.054) 16.567 21.010 ( 1.607 4.615 -2.948) 5.707 21.356 ( 2.433 -7.132 -2.297) 7.878 21.733 ( -1.050 0.439 3.015) 3.222 21.881 ( -0.552 -5.479 4.432) 7.068 22.231 ( -1.542 5.466 -9.174) 10.790 22.647 ( -2.480 1.428 -5.326) 6.046 22.810 ( 3.934 10.890 3.667) 12.145 23.043 ( -1.785 -1.673 0.749) 2.559 23.116 ( -0.252 -1.070 -1.442) 1.813 23.371 ( 5.925 -0.421 3.189) 6.742 23.486 ( 8.814 3.340 2.891) 9.859 23.646 ( 2.317 -0.003 2.116) 3.138 23.684 ( -1.777 -3.821 -0.787) 4.287 23.874 ( -1.459 -2.872 -1.099) 3.403 24.253 ( -12.350 6.422 -0.761) 13.940 24.422 ( -1.360 4.662 -6.251) 7.916 ======================= Grid point 153 (84/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 5.760 13.373 -3.220) 14.913 1.399 ( 4.062 -5.296 -3.337) 7.462 1.448 ( -10.171 4.378 -0.789) 11.101 1.554 ( -8.356 -5.461 0.488) 9.995 1.825 ( 5.801 4.520 -6.536) 9.839 1.924 ( 6.419 -4.845 -4.722) 9.326 2.067 ( 1.810 2.351 -5.727) 6.449 2.120 ( 4.020 -2.081 -5.629) 7.223 2.536 ( -3.645 3.902 4.970) 7.295 2.607 ( 3.543 -0.400 2.214) 4.197 2.688 ( -3.060 2.563 3.262) 5.155 2.776 ( -0.031 -3.406 -0.234) 3.414 3.245 ( -5.726 7.823 2.287) 9.961 3.361 ( 0.555 -3.551 -2.927) 4.635 3.444 ( 0.198 1.252 6.456) 6.579 3.586 ( 1.638 -8.807 8.920) 12.642 4.116 ( -3.051 8.832 5.899) 11.051 4.242 ( -3.160 -3.939 6.087) 7.909 4.382 ( 0.803 5.922 1.716) 6.217 4.437 ( 0.257 -1.225 4.500) 4.671 4.531 ( -0.660 -0.082 -1.434) 1.581 4.627 ( 0.448 -5.717 -4.864) 7.520 4.913 ( 1.559 6.597 11.221) 13.109 5.016 ( -0.095 -3.134 10.980) 11.419 5.295 ( 6.269 6.400 -4.057) 9.834 5.401 ( 1.406 -1.967 -3.215) 4.023 5.488 ( 2.424 2.785 1.087) 3.848 5.571 ( 1.870 -4.867 -2.590) 5.822 5.839 ( 4.111 0.919 -2.897) 5.112 5.904 ( 5.012 -5.469 -1.205) 7.516 6.363 ( -2.853 7.924 7.243) 11.108 6.472 ( -3.507 -2.586 8.912) 9.920 6.996 ( 3.204 5.916 2.734) 7.262 7.124 ( -2.220 -7.287 0.916) 7.672 7.328 ( 5.221 8.848 -4.206) 11.101 7.566 ( 4.157 -12.778 -5.728) 14.607 8.645 ( -4.418 8.595 9.356) 13.451 8.840 ( -3.251 -10.457 6.826) 12.904 9.706 ( 3.585 5.653 -13.778) 15.318 9.766 ( 4.521 0.322 -15.759) 16.398 10.001 ( -2.733 11.011 -3.577) 11.895 10.193 ( -4.459 -7.512 -0.007) 8.735 10.411 ( -4.148 14.429 -13.156) 19.962 10.669 ( -0.339 -10.575 -11.761) 15.820 11.177 ( 3.279 3.693 -1.625) 5.199 11.206 ( -1.789 1.808 -5.865) 6.393 11.290 ( 4.083 -3.488 -4.795) 7.199 11.323 ( 2.180 -5.934 -3.982) 7.471 12.249 ( -3.101 1.036 4.900) 5.891 12.269 ( -3.293 -0.820 5.094) 6.121 12.672 ( 1.187 -0.678 4.566) 4.766 12.700 ( 1.755 -3.787 5.872) 7.205 13.265 ( -2.284 3.122 9.065) 9.855 13.349 ( -0.044 -5.073 8.081) 9.542 13.977 ( -4.730 1.616 1.955) 5.367 14.003 ( -5.156 -0.981 1.653) 5.502 21.089 ( 0.327 5.169 -2.690) 5.837 21.200 ( -0.270 -5.710 -3.517) 6.712 21.764 ( -2.179 1.179 3.397) 4.205 21.810 ( -2.257 -3.676 3.398) 5.492 22.259 ( -1.139 7.940 -6.704) 10.454 22.407 ( -3.414 -6.243 -7.925) 10.651 22.970 ( 1.112 2.961 -2.370) 3.952 23.032 ( 0.457 -2.717 -1.615) 3.194 23.314 ( 1.721 12.297 7.176) 14.341 23.465 ( 5.658 1.107 -2.376) 6.235 23.544 ( -1.197 -3.479 -0.825) 3.771 23.567 ( 3.752 -4.080 0.355) 5.554 23.710 ( -2.568 2.219 4.946) 5.998 23.797 ( -3.289 -5.657 7.399) 9.877 24.284 ( -1.250 10.055 -3.794) 10.820 24.440 ( 5.150 -5.241 -3.725) 8.238 ======================= Grid point 154 (85/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -1.524 3.736 -2.529) 4.762 1.347 ( 8.164 0.599 -2.832) 8.662 1.455 ( 8.967 6.152 2.561) 11.172 1.609 ( 12.323 -6.962 -0.350) 14.158 1.845 ( 5.913 4.244 -4.721) 8.676 1.926 ( 3.270 -3.422 -5.728) 7.431 1.995 ( 0.141 5.190 -7.107) 8.801 2.140 ( 4.133 -7.571 -5.161) 10.052 2.550 ( -2.144 1.937 1.977) 3.501 2.616 ( -3.857 -2.356 -0.297) 4.529 2.821 ( 12.532 3.603 6.132) 14.409 2.901 ( 10.880 -3.791 3.189) 11.955 3.245 ( 3.069 7.585 1.811) 8.380 3.390 ( 5.339 -5.867 -0.302) 7.938 3.574 ( 4.260 4.443 5.856) 8.496 3.684 ( 2.684 -5.985 1.828) 6.809 4.047 ( -9.452 6.641 2.048) 11.732 4.144 ( -11.157 -3.051 1.787) 11.704 4.390 ( 0.585 4.869 1.432) 5.109 4.513 ( 1.648 -5.998 2.654) 6.763 4.579 ( 0.965 4.268 3.786) 5.786 4.657 ( 2.527 -2.569 4.656) 5.888 5.072 ( 1.787 4.419 6.497) 8.058 5.114 ( -1.261 0.161 6.949) 7.065 5.427 ( 15.058 5.043 -2.904) 16.144 5.492 ( 11.121 0.300 0.806) 11.154 5.564 ( 6.622 1.356 -2.253) 7.125 5.597 ( 6.346 -2.595 -5.192) 8.600 5.909 ( 7.438 2.725 -2.709) 8.372 6.008 ( 9.097 -6.724 -2.441) 11.573 6.411 ( -1.381 7.833 7.513) 10.941 6.530 ( -0.967 -2.228 8.360) 8.705 7.051 ( -2.224 -0.615 0.143) 2.312 7.081 ( -0.898 -2.946 1.109) 3.274 7.403 ( 8.871 7.937 -4.007) 12.560 7.609 ( 9.063 -10.893 -6.571) 15.619 8.663 ( -6.459 7.557 9.162) 13.519 8.828 ( -6.633 -8.415 5.367) 11.984 9.589 ( 4.134 5.979 -15.040) 16.704 9.644 ( 3.668 1.459 -16.097) 16.574 9.913 ( -6.221 10.533 1.163) 12.288 10.099 ( -8.767 -7.254 2.068) 11.565 10.203 ( -3.950 14.708 -7.232) 16.860 10.490 ( -3.889 -13.057 -8.399) 16.005 11.082 ( -4.552 2.967 -3.617) 6.527 11.146 ( -3.146 -2.910 -3.638) 5.622 11.289 ( 2.569 0.202 -2.894) 3.875 11.333 ( 3.385 -3.892 -3.990) 6.521 12.231 ( -6.207 0.580 5.207) 8.122 12.240 ( -5.022 -0.045 2.644) 5.676 12.665 ( -7.495 -1.642 3.801) 8.562 12.683 ( -9.808 -3.532 3.987) 11.161 13.449 ( 10.845 2.936 5.752) 12.623 13.539 ( 11.329 -5.585 4.016) 13.254 14.005 ( 4.113 1.720 3.130) 5.447 14.035 ( 4.602 -1.148 3.378) 5.823 21.058 ( -0.866 3.949 -1.493) 4.310 21.139 ( -1.658 -3.789 -3.240) 5.254 21.759 ( -3.541 0.760 3.578) 5.091 21.800 ( -3.435 -3.471 2.758) 5.609 22.187 ( -0.185 5.343 -3.006) 6.133 22.272 ( -2.611 -2.782 -5.309) 6.537 22.984 ( 3.701 3.295 -1.712) 5.242 23.050 ( 2.822 -2.638 -0.227) 3.870 23.321 ( -1.187 8.143 -2.755) 8.678 23.457 ( -0.617 -4.525 -5.505) 7.153 23.591 ( 4.592 1.885 1.475) 5.178 23.608 ( 2.432 0.433 -1.127) 2.716 23.749 ( -2.511 2.882 7.983) 8.851 23.838 ( -7.192 -5.308 10.614) 13.876 24.262 ( 4.695 14.463 -4.189) 15.772 24.526 ( 10.634 -11.522 -3.973) 16.175 ======================= Grid point 155 (86/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 4.216 2.623 5.873) 7.690 1.415 ( 2.095 -4.026 5.315) 6.989 1.665 ( 6.231 5.750 -0.672) 8.505 1.784 ( 7.242 -5.849 -2.243) 9.575 1.906 ( 5.544 5.471 -1.795) 7.993 1.950 ( 8.668 4.419 -4.505) 10.722 1.967 ( 7.567 0.111 -3.456) 8.320 2.152 ( 4.809 -8.670 -4.372) 10.835 2.547 ( 3.771 -1.004 -1.890) 4.336 2.580 ( 1.145 -1.921 -1.401) 2.639 3.054 ( 5.609 2.657 2.111) 6.556 3.113 ( 10.356 -2.701 1.184) 10.768 3.373 ( 8.016 5.610 2.507) 10.100 3.488 ( 6.911 -3.343 -1.597) 7.841 3.687 ( 0.334 2.597 3.372) 4.269 3.724 ( 0.467 0.016 0.555) 0.725 3.937 ( -4.459 2.137 1.795) 5.260 3.995 ( -6.967 -3.751 0.478) 7.927 4.436 ( 2.253 4.878 1.748) 5.651 4.551 ( -3.058 -5.638 5.251) 8.290 4.636 ( 4.348 7.775 -0.677) 8.934 4.768 ( 3.581 -5.185 3.595) 7.255 5.128 ( 2.501 5.888 0.550) 6.421 5.197 ( 2.459 -1.187 3.637) 4.548 5.581 ( 4.588 2.643 -5.024) 7.299 5.608 ( 5.072 0.649 -2.683) 5.774 5.689 ( 15.222 2.892 -3.014) 15.784 5.764 ( 14.569 -3.456 -1.605) 15.059 5.990 ( 8.135 6.468 -4.750) 11.427 6.118 ( 9.383 -5.078 -3.898) 11.358 6.506 ( 1.330 7.521 6.498) 10.027 6.644 ( 2.574 -3.610 5.934) 7.407 6.987 ( -2.219 3.234 -1.108) 4.076 7.112 ( 0.694 -8.426 3.949) 9.331 7.482 ( 7.886 8.266 -6.990) 13.393 7.660 ( 8.160 -8.576 -9.025) 14.885 8.688 ( -4.806 3.901 10.541) 12.224 8.783 ( -6.910 -5.124 6.316) 10.672 9.441 ( -2.803 5.431 -14.261) 15.515 9.475 ( 0.383 2.672 -13.114) 13.389 9.863 ( -4.448 6.269 5.954) 9.723 9.980 ( -9.277 -4.893 5.424) 11.808 10.105 ( -2.754 13.315 -1.129) 13.644 10.365 ( -4.381 -11.949 -1.665) 12.835 10.988 ( -2.518 3.307 -1.112) 4.303 11.060 ( -2.734 -3.695 -0.986) 4.701 11.280 ( 1.252 0.823 -3.586) 3.886 11.329 ( 2.848 -3.592 -4.752) 6.603 12.169 ( -5.495 1.520 1.736) 5.960 12.205 ( -4.653 -1.727 3.842) 6.277 12.536 ( -10.671 -0.350 2.432) 10.950 12.567 ( -8.048 -3.097 1.817) 8.813 13.688 ( 11.844 1.694 1.122) 12.017 13.752 ( 11.183 -4.343 -0.603) 12.011 14.155 ( 6.409 2.112 5.313) 8.588 14.201 ( 7.526 -2.197 5.415) 9.528 21.026 ( -1.514 2.572 -0.525) 3.030 21.078 ( -1.601 -2.278 -2.058) 3.463 21.738 ( -4.298 0.550 3.617) 5.644 21.773 ( -3.683 -2.891 2.805) 5.458 22.173 ( 0.108 2.987 0.177) 2.994 22.202 ( -0.485 0.204 -1.361) 1.459 23.045 ( 5.579 4.619 -1.501) 7.397 23.097 ( 1.129 1.476 1.243) 2.235 23.276 ( 2.503 0.977 -4.473) 5.218 23.370 ( -1.237 -5.601 -5.785) 8.147 23.629 ( 1.202 2.782 -0.106) 3.032 23.669 ( 3.296 -0.832 0.892) 3.515 23.788 ( -3.181 0.912 4.831) 5.856 23.808 ( -7.550 -1.106 5.147) 9.204 24.333 ( 8.140 17.940 -2.308) 19.835 24.666 ( 10.853 -14.662 -3.293) 18.536 ======================= Grid point 156 (87/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 3.883 0.410 9.780) 10.531 1.533 ( 0.528 0.357 6.854) 6.883 1.676 ( 2.036 2.729 -1.853) 3.876 1.792 ( 0.391 -8.378 -2.763) 8.830 1.966 ( 3.813 10.137 -1.606) 10.949 2.067 ( 8.628 3.167 -1.004) 9.245 2.115 ( 7.280 -2.066 2.394) 7.937 2.169 ( 3.170 -7.256 -4.099) 8.916 2.602 ( 1.885 2.100 0.887) 2.958 2.643 ( 8.088 -4.088 -1.729) 9.226 3.101 ( 0.557 4.347 -0.659) 4.432 3.209 ( 1.716 -6.613 -0.968) 6.900 3.487 ( 2.141 4.962 -1.545) 5.620 3.545 ( 3.150 0.498 -2.734) 4.201 3.680 ( 0.154 5.046 1.162) 5.180 3.771 ( 2.235 -3.212 3.412) 5.192 3.918 ( -1.527 -0.605 -1.072) 1.961 3.945 ( 0.099 -3.397 0.183) 3.403 4.494 ( 3.250 4.193 -0.902) 5.381 4.564 ( -0.425 -2.386 2.279) 3.327 4.695 ( 4.276 8.458 -2.421) 9.782 4.827 ( 1.211 -4.659 -1.554) 5.059 5.188 ( 3.993 4.995 -0.432) 6.409 5.263 ( 2.649 -1.988 -0.732) 3.392 5.578 ( 1.434 2.699 -2.872) 4.194 5.652 ( 2.764 -3.815 -0.185) 4.714 5.855 ( 10.028 2.112 -4.110) 11.042 5.896 ( 8.417 -2.042 -6.576) 10.875 6.072 ( 8.912 9.332 -5.351) 13.969 6.245 ( 11.103 -6.375 -4.670) 13.628 6.572 ( 0.880 7.572 0.913) 7.677 6.710 ( 0.909 -4.132 -0.862) 4.317 6.987 ( 1.294 9.128 2.225) 9.484 7.197 ( 0.679 -11.457 5.208) 12.603 7.496 ( 5.856 7.969 -7.470) 12.394 7.663 ( 6.569 -7.773 -9.315) 13.797 8.738 ( -6.391 -0.725 8.567) 10.713 8.741 ( -8.129 -0.913 6.553) 10.481 9.238 ( -1.604 6.806 -7.718) 10.415 9.352 ( -0.324 -3.571 -4.784) 5.979 9.890 ( -2.970 5.314 7.010) 9.284 9.953 ( -5.091 -0.637 8.106) 9.593 10.068 ( -2.218 11.745 2.531) 12.218 10.288 ( -4.380 -9.472 1.182) 10.503 10.979 ( 0.123 3.028 1.996) 3.629 11.044 ( -0.730 -3.533 2.879) 4.616 11.262 ( 3.040 0.968 -3.985) 5.105 11.323 ( 4.339 -4.394 -4.942) 7.909 12.098 ( -4.948 2.378 0.546) 5.517 12.166 ( -5.401 -4.028 2.478) 7.179 12.419 ( -5.141 1.944 0.534) 5.522 12.467 ( -5.877 -2.793 0.983) 6.581 13.848 ( 7.839 1.122 -1.843) 8.130 13.896 ( 8.032 -3.521 -1.417) 8.884 14.315 ( 3.631 2.698 6.433) 7.865 14.374 ( 4.305 -2.907 5.735) 7.738 21.000 ( -1.008 1.897 -0.077) 2.150 21.039 ( -1.011 -1.838 -0.814) 2.250 21.712 ( -4.070 0.834 3.629) 5.516 21.751 ( -3.350 -2.798 2.896) 5.238 22.187 ( 0.701 4.111 2.002) 4.626 22.227 ( 0.988 0.119 3.594) 3.730 23.065 ( -0.301 8.343 -3.293) 8.975 23.148 ( 3.888 2.830 1.149) 4.945 23.278 ( 0.270 -4.953 -6.645) 8.292 23.316 ( 5.093 -6.101 -0.963) 8.005 23.627 ( -2.299 5.259 -0.057) 5.740 23.723 ( 1.273 -2.583 0.260) 2.891 23.747 ( -3.084 0.459 0.427) 3.147 23.766 ( -2.344 -0.508 1.265) 2.711 24.444 ( 6.630 18.016 -0.424) 19.202 24.783 ( 7.977 -14.906 -3.492) 17.263 ======================= Grid point 157 (88/148) ======================= q-point: (-0.56 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -2.748 4.055 0.648) 4.942 1.620 ( -3.855 -2.793 3.613) 5.976 1.752 ( 2.216 0.853 4.375) 4.978 1.795 ( 1.658 -4.105 -0.023) 4.427 2.011 ( 3.660 6.668 0.187) 7.609 2.146 ( -0.932 -3.652 0.088) 3.770 2.190 ( 6.808 1.395 -1.187) 7.050 2.254 ( 5.365 -3.003 1.952) 6.450 2.621 ( -1.973 5.608 2.216) 6.344 2.733 ( 2.252 -6.345 1.295) 6.856 3.089 ( -0.601 4.156 -0.578) 4.239 3.197 ( -0.623 -6.920 -0.886) 7.004 3.460 ( -0.974 4.857 -2.375) 5.494 3.520 ( 0.070 -0.546 -3.921) 3.960 3.728 ( 2.232 6.019 -0.339) 6.428 3.826 ( 0.733 -3.170 -0.079) 3.255 3.891 ( 1.023 0.400 -1.157) 1.596 3.958 ( 1.546 -5.168 0.667) 5.436 4.497 ( 0.151 5.413 -3.326) 6.355 4.578 ( -0.312 -2.260 -1.190) 2.573 4.688 ( -0.903 6.999 -4.253) 8.239 4.766 ( -3.071 -1.804 -4.875) 6.038 5.207 ( 0.274 3.176 -3.433) 4.685 5.264 ( -0.577 0.268 0.182) 0.662 5.583 ( 1.440 1.488 1.080) 2.336 5.695 ( 1.805 -7.808 2.158) 8.299 5.919 ( 4.852 2.644 -8.218) 9.902 5.944 ( 6.863 -0.109 -5.611) 8.865 6.136 ( 5.934 8.044 -3.918) 10.736 6.313 ( 5.715 -8.449 -6.974) 12.356 6.569 ( -0.225 6.723 -2.933) 7.338 6.655 ( -2.288 -1.136 -6.166) 6.674 7.035 ( 0.211 8.145 1.774) 8.338 7.195 ( -3.038 -6.435 -1.719) 7.321 7.529 ( 4.111 4.932 -1.251) 6.541 7.677 ( 6.968 -7.582 -5.942) 11.889 8.625 ( -11.358 2.233 3.071) 11.976 8.685 ( -8.139 -3.686 3.475) 9.586 9.261 ( 6.461 5.855 2.803) 9.159 9.386 ( 4.967 -5.655 3.406) 8.262 9.920 ( -1.382 6.097 4.533) 7.722 9.980 ( -2.077 0.753 5.901) 6.301 10.112 ( 1.246 8.866 5.164) 10.336 10.263 ( -0.809 -5.995 1.731) 6.292 11.016 ( -0.800 2.922 4.688) 5.582 11.092 ( -1.053 -3.880 6.165) 7.360 11.299 ( 6.620 0.974 -2.979) 7.325 11.369 ( 7.792 -5.070 -3.590) 9.965 12.014 ( -5.744 2.470 0.266) 6.258 12.080 ( -7.365 -3.685 1.224) 8.326 12.369 ( -1.527 1.978 -1.451) 2.889 12.412 ( -1.452 -2.176 0.610) 2.686 13.907 ( 2.328 1.901 -2.092) 3.662 13.974 ( 3.437 -4.540 -2.013) 6.040 14.424 ( -0.681 2.249 7.176) 7.551 14.473 ( -0.886 -2.432 5.734) 6.291 20.996 ( 0.227 1.441 0.558) 1.561 21.025 ( 0.224 -1.339 -0.216) 1.374 21.696 ( -3.195 0.914 3.486) 4.817 21.734 ( -2.384 -2.727 2.123) 4.198 22.254 ( 1.941 5.329 5.312) 7.771 22.308 ( 1.098 0.019 6.483) 6.576 23.000 ( -1.169 8.416 -4.703) 9.712 23.157 ( -0.743 -7.257 -5.358) 9.051 23.261 ( 4.091 6.789 -1.250) 8.025 23.401 ( 5.464 -7.413 -0.334) 9.215 23.550 ( -4.072 6.327 -2.144) 7.823 23.665 ( -2.949 -3.125 -4.160) 5.980 23.737 ( -0.619 2.673 1.892) 3.333 23.793 ( 0.403 -2.989 2.455) 3.889 24.524 ( 2.732 15.897 0.355) 16.134 24.835 ( 4.014 -14.132 -4.257) 15.296 ======================= Grid point 158 (89/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -3.593 3.781 1.660) 5.474 1.566 ( -3.836 -2.035 0.202) 4.347 1.776 ( -0.998 3.033 -1.370) 3.475 1.801 ( -2.217 -1.170 0.844) 2.645 2.075 ( 1.525 0.910 1.530) 2.344 2.127 ( -1.384 -2.610 0.208) 2.961 2.280 ( 4.846 2.180 -0.419) 5.331 2.332 ( 2.592 -2.637 -0.024) 3.698 2.610 ( -5.032 7.089 6.596) 10.913 2.756 ( -2.389 -7.166 3.632) 8.382 3.056 ( -3.206 3.879 -1.002) 5.131 3.170 ( -1.884 -7.287 -1.451) 7.666 3.404 ( -1.615 4.770 -2.497) 5.621 3.464 ( -0.969 -0.307 -4.776) 4.882 3.723 ( 0.689 4.862 -3.408) 5.977 3.793 ( -2.306 -2.362 -2.375) 4.067 3.935 ( 2.372 2.363 3.228) 4.651 4.014 ( 1.953 -4.723 2.520) 5.698 4.416 ( -4.443 4.277 -4.242) 7.485 4.447 ( -8.746 2.057 -6.586) 11.140 4.591 ( -5.035 1.887 -3.645) 6.496 4.650 ( -3.395 -3.341 -2.534) 5.396 5.175 ( -0.553 6.041 1.150) 6.175 5.272 ( -1.301 -0.907 3.907) 4.217 5.651 ( 2.882 2.022 2.546) 4.344 5.777 ( 4.076 -9.061 1.951) 10.126 5.816 ( -3.181 5.984 -9.760) 11.882 5.914 ( 0.030 -3.942 -8.837) 9.677 6.155 ( -0.055 6.222 -1.839) 6.488 6.280 ( -0.195 -5.509 -5.705) 7.933 6.456 ( -6.723 2.759 -6.367) 9.662 6.489 ( -7.059 0.200 -8.051) 10.709 7.030 ( -1.177 4.136 -0.779) 4.371 7.127 ( -0.575 -2.168 -2.200) 3.142 7.560 ( 0.215 6.479 -0.381) 6.493 7.731 ( 5.617 -8.313 -3.465) 10.614 8.489 ( -8.448 5.076 3.053) 10.318 8.616 ( -4.471 -7.194 3.048) 9.002 9.443 ( 8.140 5.562 5.163) 11.129 9.561 ( 8.617 -5.468 5.250) 11.477 9.991 ( 4.322 6.563 3.894) 8.770 10.049 ( 4.381 1.408 2.877) 5.427 10.203 ( 3.235 5.622 2.544) 6.968 10.295 ( 3.394 -3.823 -0.244) 5.118 11.068 ( -0.113 2.876 4.673) 5.488 11.128 ( -3.317 -2.222 4.665) 6.140 11.393 ( 7.612 1.419 -1.969) 7.990 11.480 ( 8.543 -6.291 -1.822) 10.765 11.933 ( -5.737 1.602 3.521) 6.919 11.979 ( -7.453 -2.757 3.509) 8.687 12.326 ( -0.029 4.332 -2.919) 5.223 12.415 ( 1.761 -4.274 -1.569) 4.882 13.871 ( -4.172 2.190 -1.473) 4.937 13.949 ( -3.138 -5.258 -2.692) 6.689 14.461 ( -5.772 1.642 6.903) 9.147 14.496 ( -5.057 -2.201 6.676) 8.660 21.018 ( 1.325 1.509 0.807) 2.164 21.047 ( 2.520 -1.202 0.344) 2.813 21.692 ( -1.994 0.876 2.890) 3.619 21.728 ( -0.905 -2.629 1.433) 3.128 22.377 ( 2.902 5.044 7.923) 9.830 22.419 ( 0.942 0.820 8.522) 8.614 22.915 ( -0.875 8.541 -6.243) 10.616 23.064 ( -0.141 -6.743 -7.683) 10.224 23.292 ( 0.960 8.441 -1.987) 8.725 23.435 ( 0.589 -2.963 -6.409) 7.085 23.505 ( 1.227 0.175 2.007) 2.359 23.569 ( -3.351 -1.847 -1.362) 4.062 23.747 ( -1.387 2.837 2.184) 3.839 23.817 ( -0.675 -3.722 1.751) 4.169 24.541 ( -1.472 12.928 0.980) 13.048 24.811 ( 0.068 -12.937 -4.997) 13.869 ======================= Grid point 159 (90/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -4.794 5.718 4.255) 8.590 1.512 ( -1.519 2.730 -1.966) 3.691 1.729 ( -3.216 0.257 -0.235) 3.235 1.736 ( -2.360 -0.725 -3.879) 4.598 2.079 ( -3.706 -2.362 0.685) 4.447 2.088 ( -2.441 -2.106 -1.267) 3.464 2.341 ( 3.419 0.742 -0.509) 3.535 2.352 ( 1.096 -0.511 -0.870) 1.490 2.616 ( -7.665 8.452 8.873) 14.455 2.760 ( -4.346 -4.496 5.535) 8.351 2.946 ( -8.257 3.903 0.917) 9.179 3.064 ( -7.688 -5.461 -2.611) 9.785 3.338 ( -6.537 2.939 -5.994) 9.343 3.353 ( -2.554 -0.055 -1.332) 2.881 3.700 ( 2.670 2.560 -4.075) 5.503 3.725 ( -2.741 -0.730 -0.398) 2.865 4.018 ( 0.082 0.894 4.554) 4.641 4.047 ( -1.716 -1.421 0.485) 2.280 4.215 ( -6.764 5.957 -3.711) 9.747 4.324 ( -1.148 -2.998 -0.781) 3.304 4.457 ( -5.961 3.419 -1.139) 6.966 4.578 ( -3.222 -5.872 -1.416) 6.846 5.206 ( -2.698 6.255 5.640) 8.844 5.313 ( -3.317 -3.172 7.014) 8.382 5.553 ( -4.915 9.333 -14.216) 17.701 5.706 ( -5.771 -2.185 -6.545) 8.995 5.761 ( 1.576 -0.197 -3.400) 3.753 5.881 ( 0.569 -8.536 3.749) 9.340 6.085 ( -6.401 3.385 -1.818) 7.466 6.166 ( -9.142 -4.035 -7.627) 12.571 6.212 ( -8.640 4.854 -0.315) 9.915 6.289 ( -5.669 -3.546 -3.287) 7.451 6.994 ( -1.130 5.225 -1.686) 5.606 7.115 ( 1.201 -5.012 -1.959) 5.514 7.527 ( -2.069 10.261 -2.236) 10.703 7.751 ( 1.832 -10.301 -3.767) 11.120 8.438 ( -3.960 6.505 5.426) 9.350 8.612 ( -1.702 -10.194 4.434) 11.246 9.633 ( 7.937 7.312 3.577) 11.369 9.763 ( 9.154 -4.827 2.085) 10.557 10.154 ( 8.218 5.796 2.693) 10.411 10.182 ( 10.086 3.379 -0.513) 10.649 10.266 ( 3.273 4.377 -1.251) 5.607 10.383 ( 9.414 -5.526 -1.354) 10.999 11.102 ( -2.285 1.870 -0.176) 2.958 11.121 ( 3.028 0.003 0.037) 3.028 11.465 ( 4.591 1.764 -4.659) 6.774 11.543 ( 2.954 -5.204 -5.207) 7.932 11.926 ( -4.792 1.574 8.946) 10.270 11.981 ( -3.040 -3.758 13.203) 14.060 12.310 ( 3.276 5.706 -3.333) 7.375 12.426 ( 3.368 -5.645 -3.264) 7.339 13.732 ( -11.036 1.613 -0.314) 11.158 13.805 ( -10.223 -5.356 -2.431) 11.794 14.405 ( -10.493 2.720 6.108) 12.443 14.463 ( -9.564 -3.393 6.688) 12.154 21.057 ( 2.570 2.790 0.042) 3.793 21.112 ( 4.221 -2.626 0.635) 5.012 21.701 ( -0.769 1.082 2.262) 2.622 21.740 ( 0.070 -2.815 1.544) 3.211 22.511 ( 1.024 4.206 5.265) 6.817 22.557 ( 2.385 0.676 10.099) 10.399 22.836 ( 1.174 9.321 -5.078) 10.679 22.978 ( 1.904 -5.608 -7.581) 9.620 23.242 ( -3.220 6.187 -2.056) 7.271 23.326 ( -2.815 -0.612 -6.807) 7.392 23.526 ( -0.710 1.538 0.970) 1.952 23.571 ( 2.277 -3.279 0.457) 4.018 23.742 ( -2.282 2.648 1.965) 4.009 23.818 ( -1.165 -4.102 1.169) 4.422 24.507 ( -4.420 9.761 1.773) 10.861 24.720 ( -3.029 -10.704 -5.638) 12.472 ======================= Grid point 160 (91/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -6.250 10.816 2.509) 12.742 1.452 ( -2.686 10.704 0.714) 11.059 1.650 ( -1.886 -6.118 -2.199) 6.769 1.667 ( -4.263 -7.183 -1.095) 8.424 1.972 ( -6.724 0.652 -1.365) 6.892 2.021 ( -4.478 -3.702 -1.145) 5.921 2.314 ( -3.255 2.188 -6.918) 7.952 2.346 ( -2.858 -1.415 -2.871) 4.291 2.534 ( -5.529 10.019 3.905) 12.091 2.694 ( -6.900 -4.604 -2.446) 8.648 2.909 ( -6.049 2.546 8.969) 11.114 2.918 ( -10.400 1.926 5.057) 11.724 3.142 ( -7.934 6.775 -1.202) 10.502 3.306 ( -2.552 -9.107 4.555) 10.498 3.652 ( -5.306 1.615 -4.236) 6.978 3.697 ( -0.142 -1.253 -3.556) 3.773 3.975 ( -3.027 2.457 0.093) 3.899 4.016 ( 1.273 -0.306 -0.352) 1.356 4.225 ( 0.996 5.350 7.699) 9.428 4.375 ( 0.100 -7.632 1.541) 7.786 4.410 ( 2.300 6.583 5.114) 8.647 4.540 ( 0.085 -5.136 1.688) 5.407 5.142 ( -11.648 3.461 1.185) 12.209 5.193 ( -11.188 0.334 -6.241) 12.815 5.406 ( -2.268 5.952 -0.782) 6.417 5.517 ( -3.871 -3.128 -5.886) 7.708 5.688 ( -6.826 3.303 -4.527) 8.832 5.815 ( -10.160 -7.525 -4.929) 13.570 5.923 ( -4.519 0.777 -0.537) 4.616 5.950 ( -4.522 -2.046 -3.537) 6.094 6.221 ( -1.187 1.111 7.710) 7.879 6.258 ( -0.889 -2.350 7.330) 7.749 6.953 ( -1.132 7.049 -1.504) 7.296 7.107 ( 0.791 -7.547 -1.665) 7.768 7.445 ( -3.060 11.781 -3.676) 12.715 7.701 ( -1.296 -12.245 -4.594) 13.143 8.484 ( -0.983 6.757 7.839) 10.395 8.668 ( 0.144 -11.079 6.721) 12.959 9.769 ( 5.192 8.077 -0.161) 9.603 9.876 ( 6.750 -1.612 -5.568) 8.897 10.210 ( 3.358 4.214 -8.000) 9.646 10.272 ( 0.840 -0.780 -0.908) 1.462 10.423 ( 15.219 6.766 -0.734) 16.671 10.569 ( 14.140 -5.771 -2.384) 15.457 11.085 ( 2.401 5.365 -1.958) 6.196 11.177 ( 6.614 -3.373 -3.725) 8.307 11.403 ( -0.416 1.621 -9.102) 9.254 11.473 ( -1.245 -4.916 -6.879) 8.546 12.018 ( -1.546 5.477 13.476) 14.628 12.130 ( 0.132 -5.032 11.615) 12.659 12.373 ( 6.735 3.159 0.752) 7.477 12.458 ( 5.016 -4.856 -2.129) 7.298 13.516 ( -15.872 0.914 2.442) 16.085 13.575 ( -14.711 -4.828 0.236) 15.485 14.271 ( -13.577 3.316 4.891) 14.808 14.338 ( -13.952 -3.554 4.925) 15.217 21.095 ( 2.839 4.328 -1.464) 5.379 21.187 ( 4.196 -4.784 -0.523) 6.385 21.722 ( -0.242 1.284 2.419) 2.749 21.765 ( -0.004 -3.026 2.331) 3.820 22.502 ( -1.723 7.739 -5.099) 9.427 22.657 ( -0.691 -6.424 -0.322) 6.469 22.887 ( 6.040 9.311 3.412) 11.611 22.999 ( 5.252 -2.463 2.560) 6.341 23.159 ( -4.097 2.545 -1.069) 4.940 23.211 ( -2.038 -0.552 -2.350) 3.159 23.525 ( -0.109 3.159 -0.459) 3.194 23.596 ( 1.534 -3.922 -1.797) 4.579 23.724 ( -2.345 3.520 1.616) 4.528 23.812 ( -1.105 -4.604 0.903) 4.820 24.449 ( -5.195 6.640 2.043) 8.674 24.581 ( -4.468 -6.038 -6.243) 9.767 ======================= Grid point 161 (92/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -8.948 13.728 -3.023) 16.663 1.437 ( -6.510 5.072 2.950) 8.764 1.560 ( -3.466 -4.169 0.410) 5.437 1.662 ( -2.234 -7.284 3.349) 8.323 1.848 ( -3.236 3.553 -4.367) 6.493 1.922 ( -3.244 -3.800 -3.092) 5.875 2.132 ( -2.190 4.519 -7.809) 9.284 2.205 ( -2.024 -3.134 -9.540) 10.244 2.560 ( -0.595 4.073 -1.183) 4.283 2.588 ( -1.561 0.990 2.797) 3.352 2.748 ( -10.473 4.513 -0.357) 11.410 2.845 ( -7.589 -3.872 1.925) 8.735 3.194 ( -0.203 11.815 13.543) 17.973 3.415 ( 0.572 -9.880 11.866) 15.452 3.461 ( -8.020 0.785 -4.001) 8.997 3.547 ( -8.209 -6.534 -5.529) 11.860 4.027 ( 2.003 6.877 6.702) 9.809 4.118 ( 5.471 -1.933 5.481) 7.981 4.318 ( 1.794 5.040 3.135) 6.200 4.394 ( -1.776 -3.624 5.504) 6.825 4.581 ( 7.680 2.423 3.931) 8.962 4.598 ( 2.490 -1.278 -1.476) 3.164 4.931 ( -11.334 1.416 -2.902) 11.785 4.955 ( -8.444 -1.880 3.802) 9.450 5.321 ( -2.983 6.239 -3.899) 7.939 5.446 ( -1.963 -2.881 -0.064) 3.487 5.513 ( -5.926 2.728 -2.959) 7.163 5.630 ( -5.370 -8.045 -2.392) 9.964 5.852 ( -1.504 0.637 -2.584) 3.057 5.886 ( 0.040 -2.387 -1.853) 3.022 6.303 ( -1.407 5.164 8.380) 9.944 6.383 ( -0.424 -2.798 11.032) 11.389 6.938 ( 0.981 8.385 0.120) 8.443 7.114 ( 1.120 -9.372 0.392) 9.446 7.354 ( -1.138 11.281 -4.479) 12.191 7.614 ( -1.109 -13.203 -5.200) 14.233 8.575 ( -1.343 7.689 9.187) 12.055 8.768 ( 0.173 -11.196 8.002) 13.763 9.788 ( 2.794 6.946 -7.176) 10.371 9.863 ( 5.509 -0.045 -12.304) 13.481 10.110 ( -0.995 8.019 -8.874) 12.002 10.253 ( -1.550 -4.923 -1.475) 5.368 10.562 ( 5.869 8.128 -9.025) 13.489 10.720 ( 9.709 -6.024 -7.784) 13.825 11.119 ( 4.284 6.859 -1.927) 8.313 11.240 ( 6.191 -3.094 -3.651) 7.825 11.307 ( 0.679 -0.978 -6.372) 6.483 11.364 ( 0.832 -5.413 -7.920) 9.630 12.169 ( 1.528 4.004 9.435) 10.363 12.235 ( -1.082 -2.276 6.609) 7.073 12.535 ( 7.133 -0.988 5.192) 8.878 12.553 ( 6.063 -2.425 2.660) 7.051 13.312 ( -14.139 1.617 6.859) 15.797 13.375 ( -12.241 -4.643 5.412) 14.166 14.097 ( -12.482 2.634 3.110) 13.130 14.146 ( -13.715 -2.308 2.604) 14.150 21.108 ( 1.784 5.310 -2.792) 6.259 21.223 ( 2.222 -6.209 -2.464) 7.040 21.748 ( -0.828 1.311 3.044) 3.416 21.793 ( -0.883 -3.289 3.289) 4.735 22.380 ( -1.875 8.956 -8.338) 12.380 22.561 ( -2.674 -8.174 -7.971) 11.726 22.992 ( 1.276 5.266 -2.131) 5.823 23.072 ( -1.432 -2.998 -2.187) 3.978 23.133 ( 2.264 10.284 10.579) 14.927 23.325 ( 8.414 -6.463 7.062) 12.745 23.516 ( 0.147 1.870 -0.265) 1.894 23.581 ( 0.614 -4.015 -3.023) 5.063 23.709 ( -2.163 3.995 1.960) 4.948 23.798 ( -1.759 -4.487 0.730) 4.874 24.378 ( -4.996 5.587 -1.109) 7.577 24.453 ( -1.300 -1.455 -4.340) 4.758 ======================= Grid point 189 (93/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -1.346 0.000 5.402) 5.568 1.042 ( -10.227 0.000 -7.553) 12.714 1.226 ( 2.705 0.000 7.565) 8.034 1.697 ( -3.692 0.000 -6.165) 7.186 1.790 ( 10.488 0.000 3.540) 11.070 2.024 ( 2.597 0.000 3.148) 4.081 2.063 ( -2.802 0.000 -5.340) 6.031 2.108 ( -1.187 0.000 -1.671) 2.049 2.364 ( -7.068 0.000 18.045) 19.380 2.606 ( 4.043 0.000 -0.530) 4.078 2.723 ( 1.238 0.000 -2.392) 2.693 2.795 ( 8.976 0.000 -4.294) 9.950 3.036 ( -7.432 0.000 8.214) 11.077 3.423 ( 4.624 0.000 -11.322) 12.230 3.661 ( -7.343 0.000 6.125) 9.563 3.796 ( 5.612 0.000 1.476) 5.803 3.951 ( -5.513 0.000 3.466) 6.512 4.019 ( 11.139 0.000 -6.179) 12.738 4.161 ( -1.603 0.000 -0.078) 1.605 4.253 ( -1.600 0.000 -7.125) 7.303 4.661 ( 8.956 0.000 5.182) 10.348 4.676 ( -5.074 0.000 4.770) 6.964 4.879 ( -3.006 0.000 6.720) 7.361 5.145 ( 5.960 0.000 -4.769) 7.633 5.197 ( -10.953 0.000 5.547) 12.277 5.352 ( -1.242 0.000 4.963) 5.116 5.411 ( 1.835 0.000 -3.844) 4.260 5.557 ( -0.630 0.000 -8.400) 8.423 5.973 ( 0.672 0.000 4.176) 4.230 6.040 ( 0.108 0.000 9.248) 9.249 6.260 ( 7.319 0.000 -4.120) 8.399 6.349 ( -4.654 0.000 -3.478) 5.810 6.984 ( 5.659 0.000 10.388) 11.830 7.137 ( -0.611 0.000 0.997) 1.169 7.560 ( -2.865 0.000 0.860) 2.992 7.790 ( 1.860 0.000 -10.569) 10.732 8.657 ( -7.012 0.000 12.749) 14.550 8.996 ( 4.734 0.000 -4.091) 6.257 9.079 ( -0.480 0.000 -12.415) 12.424 9.227 ( 0.309 0.000 -9.790) 9.795 9.592 ( -3.757 0.000 -1.282) 3.970 9.673 ( -4.066 0.000 -7.982) 8.958 10.546 ( -9.176 0.000 9.813) 13.435 10.815 ( 8.627 0.000 -4.578) 9.766 11.181 ( 1.905 0.000 -2.515) 3.155 11.239 ( 10.891 0.000 0.821) 10.922 11.281 ( -10.797 0.000 -0.951) 10.838 11.412 ( 1.975 0.000 -10.791) 10.971 12.230 ( 5.239 0.000 0.252) 5.245 12.252 ( -4.319 0.000 -1.247) 4.495 12.869 ( 1.399 0.000 6.012) 6.173 13.064 ( 0.566 0.000 -2.566) 2.627 13.672 ( 2.874 0.000 4.428) 5.279 13.736 ( 4.211 0.000 -0.152) 4.214 13.952 ( -11.333 0.000 3.798) 11.953 14.015 ( -0.997 0.000 1.569) 1.859 20.979 ( 1.546 0.000 6.012) 6.208 21.272 ( -6.136 0.000 -8.894) 10.805 21.727 ( 1.271 0.000 2.560) 2.858 21.903 ( -2.925 0.000 -6.237) 6.889 22.417 ( 0.197 0.000 2.171) 2.180 22.473 ( 0.640 0.000 2.800) 2.873 22.652 ( 2.305 0.000 1.359) 2.675 22.753 ( -17.818 0.000 -0.954) 17.844 23.173 ( 7.934 0.000 0.301) 7.939 23.181 ( -1.518 0.000 1.402) 2.066 23.480 ( 0.106 0.000 1.571) 1.575 23.588 ( 0.988 0.000 2.733) 2.906 23.649 ( 1.007 0.000 -6.159) 6.241 23.765 ( -0.904 0.000 -5.659) 5.731 24.343 ( -16.144 0.000 7.111) 17.641 24.433 ( 25.775 0.000 2.121) 25.862 ======================= Grid point 190 (94/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 14.403 0.000 -0.168) 14.404 1.062 ( 27.629 0.000 6.633) 28.414 1.444 ( 7.371 0.000 10.639) 12.943 1.560 ( -0.540 0.000 -9.562) 9.577 1.857 ( -5.106 0.000 -7.998) 9.488 1.937 ( -1.175 0.000 1.630) 2.009 2.123 ( 6.301 0.000 1.588) 6.498 2.168 ( 6.141 0.000 -0.324) 6.149 2.458 ( -0.607 0.000 6.696) 6.723 2.673 ( 3.388 0.000 0.525) 3.428 2.756 ( 7.879 0.000 -2.081) 8.149 2.919 ( 10.460 0.000 -9.004) 13.801 3.033 ( -2.239 0.000 10.180) 10.423 3.374 ( 2.835 0.000 -7.957) 8.447 3.612 ( -5.881 0.000 4.476) 7.391 3.880 ( -4.706 0.000 -1.117) 4.837 3.907 ( 4.065 0.000 1.813) 4.451 4.052 ( -0.610 0.000 2.785) 2.851 4.177 ( -0.244 0.000 -3.599) 3.607 4.229 ( 11.992 0.000 -5.806) 13.324 4.666 ( 3.353 0.000 -0.266) 3.364 4.742 ( -6.570 0.000 2.122) 6.904 5.027 ( -8.724 0.000 -0.417) 8.734 5.051 ( 13.384 0.000 7.553) 15.368 5.234 ( 4.914 0.000 2.017) 5.312 5.328 ( -6.031 0.000 -2.764) 6.634 5.527 ( 9.157 0.000 2.290) 9.439 5.588 ( 14.854 0.000 -5.536) 15.852 6.036 ( -0.223 0.000 3.836) 3.843 6.070 ( -0.690 0.000 1.226) 1.407 6.271 ( 2.410 0.000 -4.708) 5.289 6.429 ( 12.087 0.000 0.044) 12.087 7.075 ( -5.449 0.000 -3.269) 6.354 7.154 ( 3.406 0.000 3.267) 4.720 7.555 ( -0.640 0.000 4.971) 5.012 7.718 ( 3.504 0.000 -7.572) 8.343 8.778 ( -0.394 0.000 15.521) 15.526 8.955 ( 1.464 0.000 -7.167) 7.315 9.027 ( 0.970 0.000 -0.424) 1.058 9.095 ( 0.729 0.000 -11.373) 11.396 9.565 ( 0.405 0.000 2.578) 2.610 9.599 ( -0.622 0.000 0.437) 0.760 10.454 ( -15.027 0.000 7.628) 16.852 10.834 ( -0.419 0.000 -4.248) 4.269 11.059 ( -13.414 0.000 -1.139) 13.462 11.185 ( 0.060 0.000 2.650) 2.651 11.306 ( 2.763 0.000 -11.717) 12.039 11.383 ( 4.237 0.000 1.572) 4.520 12.171 ( -2.260 0.000 -1.102) 2.514 12.284 ( -0.005 0.000 0.976) 0.976 12.883 ( -6.922 0.000 3.768) 7.881 12.913 ( -11.981 0.000 -3.608) 12.512 13.732 ( 3.298 0.000 -1.080) 3.471 13.842 ( 8.500 0.000 -0.699) 8.529 14.023 ( 8.968 0.000 5.420) 10.479 14.090 ( 5.774 0.000 2.910) 6.466 21.084 ( -5.237 0.000 -5.293) 7.446 21.093 ( 1.202 0.000 8.248) 8.335 21.786 ( -2.706 0.000 -4.660) 5.389 21.791 ( 0.593 0.000 4.564) 4.603 22.358 ( -10.402 0.000 1.379) 10.493 22.451 ( -4.553 0.000 -0.195) 4.557 22.575 ( -4.892 0.000 4.397) 6.577 22.716 ( 0.887 0.000 3.517) 3.627 23.236 ( 6.633 0.000 -2.795) 7.198 23.370 ( 13.387 0.000 2.398) 13.600 23.513 ( 0.202 0.000 3.232) 3.238 23.589 ( 1.157 0.000 -3.929) 4.096 23.671 ( 4.129 0.000 1.710) 4.469 23.688 ( 0.083 0.000 -5.349) 5.349 24.120 ( -16.545 0.000 0.958) 16.573 24.776 ( 18.641 0.000 -4.843) 19.260 ======================= Grid point 191 (95/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 15.987 0.000 11.017) 19.416 1.467 ( 2.950 0.000 -6.372) 7.022 1.522 ( 14.439 0.000 3.173) 14.784 1.637 ( 6.080 0.000 -5.429) 8.151 1.778 ( 3.308 0.000 5.266) 6.219 1.870 ( -1.709 0.000 -2.828) 3.304 2.219 ( 2.608 0.000 -3.521) 4.382 2.320 ( 10.561 0.000 3.650) 11.174 2.519 ( 4.081 0.000 2.036) 4.561 2.706 ( 0.860 0.000 -0.981) 1.305 2.927 ( 13.717 0.000 -1.936) 13.853 2.954 ( 7.284 0.000 -4.003) 8.312 3.154 ( 0.028 0.000 6.823) 6.823 3.302 ( 0.251 0.000 -7.602) 7.606 3.607 ( 2.219 0.000 0.263) 2.235 3.775 ( -3.701 0.000 -3.649) 5.197 3.930 ( -3.524 0.000 0.681) 3.589 4.123 ( 1.953 0.000 4.331) 4.752 4.133 ( -0.676 0.000 -2.881) 2.959 4.319 ( 10.461 0.000 -10.248) 14.644 4.619 ( -3.577 0.000 -4.775) 5.967 4.779 ( 10.193 0.000 -4.369) 11.090 4.940 ( 0.356 0.000 1.425) 1.469 5.162 ( -7.037 0.000 -0.495) 7.054 5.341 ( 4.026 0.000 1.514) 4.301 5.428 ( 11.348 0.000 10.849) 15.700 5.648 ( 6.009 0.000 -1.399) 6.170 5.796 ( 16.485 0.000 -5.990) 17.540 6.079 ( 2.802 0.000 1.510) 3.183 6.132 ( 6.273 0.000 3.152) 7.020 6.295 ( 4.405 0.000 -2.984) 5.320 6.586 ( 6.421 0.000 -0.356) 6.431 6.899 ( -6.621 0.000 -7.301) 9.856 7.167 ( 0.678 0.000 -4.842) 4.890 7.656 ( 1.513 0.000 8.004) 8.146 7.717 ( 3.980 0.000 -4.221) 5.801 8.908 ( -1.215 0.000 -4.122) 4.298 8.951 ( -1.812 0.000 5.246) 5.550 9.018 ( -4.172 0.000 12.162) 12.857 9.066 ( 9.479 0.000 -3.416) 10.076 9.618 ( -1.246 0.000 3.677) 3.883 9.650 ( 0.829 0.000 5.974) 6.031 10.275 ( -16.152 0.000 7.122) 17.653 10.696 ( -10.106 0.000 -2.779) 10.481 10.888 ( -2.542 0.000 -0.640) 2.621 11.233 ( 5.549 0.000 -11.074) 12.387 11.237 ( -1.541 0.000 6.410) 6.592 11.437 ( 0.586 0.000 2.366) 2.437 12.170 ( 3.076 0.000 -0.624) 3.139 12.259 ( -3.761 0.000 0.223) 3.768 12.636 ( -15.007 0.000 -3.304) 15.366 12.756 ( -10.351 0.000 0.160) 10.352 13.816 ( 7.289 0.000 -0.287) 7.295 13.980 ( 8.661 0.000 -0.688) 8.688 14.238 ( 5.435 0.000 4.894) 7.314 14.250 ( 11.728 0.000 2.195) 11.931 20.975 ( -2.086 0.000 -2.728) 3.434 21.192 ( -2.349 0.000 7.769) 8.116 21.722 ( -0.114 0.000 -0.800) 0.808 21.846 ( -2.314 0.000 6.317) 6.728 22.206 ( -8.917 0.000 1.776) 9.092 22.345 ( -6.449 0.000 -1.182) 6.556 22.590 ( -0.289 0.000 2.499) 2.516 22.746 ( -1.197 0.000 1.247) 1.728 23.296 ( 7.207 0.000 -6.807) 9.914 23.514 ( 0.434 0.000 -3.344) 3.372 23.544 ( -0.934 0.000 1.313) 1.611 23.665 ( 2.420 0.000 -0.085) 2.421 23.668 ( 5.530 0.000 5.910) 8.094 23.809 ( 10.925 0.000 2.824) 11.284 23.852 ( -10.044 0.000 -3.957) 10.795 24.956 ( 13.408 0.000 -8.054) 15.641 ======================= Grid point 192 (96/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 7.616 0.000 -5.890) 9.628 1.578 ( -4.865 0.000 -1.207) 5.012 1.632 ( 2.806 0.000 -0.384) 2.832 1.746 ( 12.911 0.000 7.315) 14.839 1.913 ( -0.426 0.000 5.885) 5.900 1.915 ( 5.724 0.000 1.525) 5.924 2.174 ( -0.209 0.000 -6.545) 6.548 2.400 ( -0.609 0.000 -1.071) 1.232 2.706 ( 1.780 0.000 -0.681) 1.905 2.746 ( 12.699 0.000 4.786) 13.571 3.047 ( 5.609 0.000 -1.385) 5.778 3.090 ( 7.857 0.000 -4.248) 8.932 3.207 ( -2.826 0.000 8.295) 8.763 3.234 ( 4.429 0.000 -5.969) 7.432 3.655 ( 4.358 0.000 -3.289) 5.460 3.727 ( 5.188 0.000 -4.000) 6.551 3.828 ( -6.768 0.000 -1.896) 7.029 4.082 ( -0.718 0.000 -3.331) 3.408 4.134 ( -1.351 0.000 -5.164) 5.337 4.352 ( 3.105 0.000 -1.627) 3.506 4.558 ( 5.157 0.000 -6.708) 8.462 4.795 ( 1.077 0.000 -4.732) 4.853 5.026 ( -8.438 0.000 -0.038) 8.438 5.117 ( 15.564 0.000 -1.108) 15.603 5.349 ( -2.699 0.000 -1.356) 3.021 5.687 ( 2.474 0.000 11.473) 11.737 5.769 ( 9.358 0.000 0.902) 9.401 5.954 ( 13.722 0.000 -9.229) 16.537 6.172 ( 7.585 0.000 -0.906) 7.639 6.302 ( 0.599 0.000 -2.674) 2.740 6.341 ( 8.612 0.000 7.053) 11.132 6.598 ( -2.582 0.000 -2.685) 3.725 6.741 ( -1.013 0.000 -6.126) 6.209 7.113 ( 1.213 0.000 -5.290) 5.427 7.712 ( 2.775 0.000 -5.657) 6.301 7.738 ( -2.316 0.000 4.318) 4.900 8.835 ( -13.091 0.000 3.527) 13.558 8.850 ( 0.656 0.000 -3.504) 3.565 9.213 ( 2.629 0.000 15.218) 15.443 9.258 ( 11.066 0.000 3.868) 11.723 9.629 ( -3.053 0.000 3.799) 4.874 9.661 ( -5.875 0.000 3.137) 6.660 10.130 ( -12.263 0.000 8.127) 14.712 10.488 ( -9.540 0.000 -2.750) 9.929 10.995 ( 9.172 0.000 5.914) 10.914 11.216 ( 8.012 0.000 -9.916) 12.748 11.272 ( -3.201 0.000 5.765) 6.594 11.493 ( 1.515 0.000 3.831) 4.119 12.153 ( -6.977 0.000 -3.313) 7.724 12.220 ( 4.142 0.000 -2.960) 5.091 12.390 ( -11.255 0.000 0.665) 11.275 12.584 ( -8.360 0.000 -0.963) 8.415 13.936 ( 6.467 0.000 0.317) 6.475 14.093 ( 5.521 0.000 -0.549) 5.548 14.371 ( 1.475 0.000 7.038) 7.191 14.456 ( 10.758 0.000 1.191) 10.824 20.943 ( 0.917 0.000 -0.958) 1.326 21.185 ( -6.953 0.000 3.954) 7.999 21.769 ( 2.796 0.000 3.768) 4.692 21.861 ( -6.390 0.000 7.827) 10.104 22.121 ( -3.759 0.000 1.320) 3.984 22.234 ( -5.337 0.000 0.009) 5.337 22.603 ( -0.136 0.000 -0.276) 0.307 22.700 ( -2.200 0.000 -4.205) 4.746 23.299 ( 5.469 0.000 -9.504) 10.966 23.423 ( -1.884 0.000 -8.263) 8.475 23.529 ( -0.943 0.000 0.098) 0.948 23.626 ( -4.073 0.000 -2.654) 4.862 23.750 ( 3.298 0.000 4.575) 5.640 23.821 ( 1.207 0.000 4.798) 4.948 24.129 ( 11.476 0.000 11.120) 15.980 25.037 ( 10.230 0.000 -10.047) 14.338 ======================= Grid point 193 (97/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -9.264 0.000 4.182) 10.164 1.584 ( 11.283 0.000 -4.497) 12.146 1.627 ( -6.785 0.000 0.482) 6.802 1.912 ( 0.816 0.000 -0.797) 1.140 1.997 ( 3.403 0.000 4.055) 5.294 2.004 ( 2.220 0.000 1.044) 2.453 2.078 ( 0.771 0.000 -2.876) 2.977 2.345 ( -2.681 0.000 -2.615) 3.745 2.761 ( 2.622 0.000 2.256) 3.458 2.879 ( -0.698 0.000 -1.469) 1.627 3.087 ( 1.603 0.000 -0.311) 1.633 3.102 ( 1.750 0.000 -0.922) 1.978 3.286 ( 2.469 0.000 3.783) 4.517 3.303 ( 6.227 0.000 -3.718) 7.253 3.628 ( -1.194 0.000 -5.994) 6.112 3.700 ( -3.528 0.000 -3.247) 4.795 3.869 ( 10.415 0.000 4.978) 11.544 4.004 ( -4.237 0.000 -5.388) 6.854 4.031 ( -0.833 0.000 -2.791) 2.913 4.343 ( -4.210 0.000 0.061) 4.211 4.616 ( 10.139 0.000 -5.225) 11.406 4.715 ( -3.746 0.000 -4.928) 6.190 4.905 ( -6.562 0.000 1.547) 6.742 5.181 ( 0.660 0.000 -11.172) 11.192 5.424 ( 7.275 0.000 8.086) 10.877 5.808 ( -3.243 0.000 9.834) 10.355 5.919 ( 6.032 0.000 1.421) 6.198 6.003 ( 7.833 0.000 -12.107) 14.420 6.230 ( 0.437 0.000 -3.045) 3.076 6.353 ( 10.279 0.000 -0.023) 10.279 6.357 ( -6.971 0.000 -3.014) 7.595 6.634 ( -6.553 0.000 -4.115) 7.738 6.707 ( 12.471 0.000 5.190) 13.508 7.060 ( -2.009 0.000 -3.984) 4.461 7.667 ( -8.948 0.000 0.055) 8.948 7.696 ( 5.375 0.000 -6.188) 8.196 8.665 ( -13.300 0.000 6.345) 14.736 8.847 ( 4.379 0.000 -3.610) 5.675 9.449 ( 3.688 0.000 12.983) 13.497 9.482 ( 7.398 0.000 6.375) 9.766 9.597 ( -3.029 0.000 0.745) 3.119 9.614 ( -1.605 0.000 0.680) 1.743 10.078 ( -5.906 0.000 8.015) 9.956 10.343 ( -2.682 0.000 -3.759) 4.617 11.215 ( 1.552 0.000 9.773) 9.895 11.259 ( 13.347 0.000 -9.390) 16.320 11.267 ( -6.992 0.000 5.561) 8.934 11.546 ( 3.728 0.000 -3.792) 5.318 12.018 ( -3.866 0.000 0.243) 3.873 12.196 ( -0.089 0.000 -6.075) 6.076 12.272 ( -8.313 0.000 5.215) 9.813 12.500 ( -0.616 0.000 -0.552) 0.828 14.020 ( 2.040 0.000 1.521) 2.545 14.137 ( 0.826 0.000 -1.034) 1.324 14.452 ( -3.390 0.000 8.197) 8.870 14.631 ( 9.627 0.000 -0.442) 9.637 20.981 ( 4.000 0.000 0.660) 4.054 21.088 ( -7.908 0.000 1.350) 8.023 21.842 ( -7.492 0.000 8.563) 11.378 21.869 ( 2.890 0.000 3.848) 4.813 22.102 ( -1.443 0.000 1.815) 2.319 22.192 ( -1.936 0.000 3.231) 3.767 22.570 ( -0.937 0.000 -3.793) 3.907 22.589 ( -0.022 0.000 -9.511) 9.511 23.257 ( 2.895 0.000 -7.822) 8.340 23.300 ( -0.670 0.000 -7.341) 7.371 23.521 ( -0.660 0.000 0.528) 0.845 23.566 ( -1.221 0.000 -1.344) 1.816 23.862 ( 2.789 0.000 4.659) 5.430 23.891 ( 0.127 0.000 4.325) 4.326 24.398 ( 1.949 0.000 13.687) 13.825 25.053 ( 8.047 0.000 -11.914) 14.377 ======================= Grid point 194 (98/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -13.136 0.000 14.700) 19.713 1.410 ( -17.929 0.000 1.328) 17.978 1.734 ( 10.339 0.000 -1.985) 10.528 1.863 ( -0.090 0.000 -8.840) 8.841 2.000 ( 1.763 0.000 -0.018) 1.763 2.000 ( -1.751 0.000 -2.048) 2.694 2.208 ( 3.889 0.000 6.805) 7.837 2.262 ( -2.917 0.000 -2.838) 4.069 2.773 ( -7.326 0.000 -1.417) 7.461 2.814 ( -0.083 0.000 2.502) 2.503 3.086 ( -1.821 0.000 -2.757) 3.304 3.097 ( -6.365 0.000 4.080) 7.560 3.258 ( -3.268 0.000 -6.490) 7.267 3.322 ( 0.228 0.000 -3.178) 3.186 3.542 ( -3.558 0.000 2.600) 4.407 3.664 ( 2.179 0.000 -1.675) 2.749 3.910 ( -2.676 0.000 -0.259) 2.689 3.985 ( -1.433 0.000 -1.647) 2.183 4.117 ( 7.888 0.000 8.148) 11.341 4.212 ( -7.269 0.000 -4.637) 8.622 4.550 ( -8.614 0.000 -4.839) 9.881 4.752 ( 11.274 0.000 -1.980) 11.447 4.853 ( -4.002 0.000 3.597) 5.381 5.060 ( 0.002 0.000 -6.910) 6.910 5.579 ( -1.343 0.000 7.169) 7.294 5.814 ( -6.378 0.000 3.214) 7.142 5.916 ( -0.604 0.000 -11.091) 11.108 6.047 ( 6.320 0.000 5.167) 8.164 6.185 ( -0.957 0.000 -4.551) 4.651 6.227 ( -3.325 0.000 -2.529) 4.178 6.410 ( -13.356 0.000 -3.946) 13.927 6.528 ( 8.226 0.000 1.365) 8.339 6.925 ( -7.318 0.000 -4.976) 8.849 6.951 ( 8.863 0.000 3.045) 9.371 7.499 ( -10.183 0.000 1.971) 10.372 7.755 ( 9.050 0.000 -4.378) 10.053 8.587 ( -7.392 0.000 8.888) 11.560 8.915 ( 10.025 0.000 -4.322) 10.917 9.536 ( -4.305 0.000 2.566) 5.012 9.545 ( -5.023 0.000 3.043) 5.873 9.661 ( 6.126 0.000 2.514) 6.622 9.701 ( 9.929 0.000 0.029) 9.929 10.142 ( 2.632 0.000 7.023) 7.500 10.317 ( 5.771 0.000 -4.471) 7.301 11.138 ( -12.049 0.000 -0.105) 12.050 11.272 ( -4.457 0.000 7.364) 8.607 11.417 ( 13.633 0.000 -4.496) 14.356 11.543 ( 5.241 0.000 -8.142) 9.683 12.009 ( -2.748 0.000 2.492) 3.710 12.112 ( -1.286 0.000 -4.190) 4.383 12.265 ( -3.208 0.000 11.042) 11.499 12.513 ( 4.279 0.000 -3.600) 5.592 14.036 ( -3.728 0.000 3.240) 4.939 14.095 ( -3.778 0.000 -1.601) 4.104 14.454 ( -7.939 0.000 7.250) 10.751 14.749 ( 7.622 0.000 -4.398) 8.800 20.979 ( -6.110 0.000 0.414) 6.124 21.095 ( 7.863 0.000 1.835) 8.074 21.842 ( -5.084 0.000 8.548) 9.946 21.963 ( 3.721 0.000 3.185) 4.898 22.114 ( -1.482 0.000 4.671) 4.901 22.223 ( -0.512 0.000 2.936) 2.981 22.485 ( -1.535 0.000 -6.184) 6.371 22.497 ( 3.419 0.000 -8.777) 9.420 23.212 ( 0.473 0.000 -3.769) 3.798 23.214 ( -1.167 0.000 -4.699) 4.841 23.519 ( -0.740 0.000 1.043) 1.278 23.539 ( -0.727 0.000 -0.535) 0.903 23.924 ( -1.057 0.000 2.069) 2.323 23.942 ( 1.421 0.000 2.283) 2.689 24.531 ( -5.757 0.000 13.635) 14.801 25.000 ( 5.095 0.000 -15.171) 16.004 ======================= Grid point 195 (99/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -18.471 0.000 7.483) 19.929 1.371 ( -15.073 0.000 19.499) 24.646 1.752 ( -10.114 0.000 1.797) 10.273 1.761 ( 1.408 0.000 -8.019) 8.142 1.999 ( -1.638 0.000 -1.893) 2.504 2.007 ( 7.802 0.000 -0.726) 7.836 2.170 ( -3.703 0.000 -5.070) 6.278 2.332 ( 2.636 0.000 4.180) 4.942 2.649 ( -9.651 0.000 4.844) 10.798 2.828 ( -2.329 0.000 3.709) 4.379 2.908 ( -12.888 0.000 -3.334) 13.312 2.935 ( -13.522 0.000 -3.203) 13.896 3.192 ( -1.230 0.000 7.162) 7.267 3.251 ( -4.020 0.000 -4.417) 5.972 3.588 ( 1.276 0.000 6.999) 7.114 3.685 ( 2.440 0.000 -1.864) 3.071 3.872 ( -2.359 0.000 -2.464) 3.411 3.942 ( -3.141 0.000 1.219) 3.370 4.054 ( -1.859 0.000 -4.511) 4.879 4.304 ( 2.726 0.000 7.667) 8.137 4.345 ( -9.202 0.000 -2.501) 9.536 4.786 ( -3.257 0.000 -3.285) 4.627 4.935 ( 5.075 0.000 3.634) 6.242 5.037 ( 2.707 0.000 -0.651) 2.784 5.578 ( -8.938 0.000 7.851) 11.897 5.651 ( -3.782 0.000 -13.157) 13.690 5.784 ( -6.869 0.000 1.107) 6.958 6.055 ( -17.306 0.000 2.102) 17.433 6.057 ( -7.469 0.000 -4.698) 8.824 6.250 ( 6.799 0.000 8.674) 11.021 6.274 ( 1.927 0.000 -1.299) 2.324 6.613 ( 0.682 0.000 -3.807) 3.867 6.733 ( -5.805 0.000 -5.274) 7.843 7.041 ( 1.760 0.000 -1.391) 2.244 7.453 ( -2.165 0.000 6.907) 7.238 7.859 ( 8.377 0.000 -2.990) 8.894 8.616 ( -3.907 0.000 9.505) 10.277 9.060 ( 13.315 0.000 -4.729) 14.130 9.437 ( -6.886 0.000 -4.084) 8.006 9.491 ( -3.565 0.000 0.050) 3.566 9.754 ( 3.608 0.000 -0.676) 3.671 9.847 ( 9.528 0.000 -2.507) 9.852 10.336 ( 10.882 0.000 5.680) 12.275 10.407 ( 11.813 0.000 -5.748) 13.137 10.937 ( -8.784 0.000 -1.970) 9.003 11.285 ( -2.573 0.000 5.802) 6.347 11.462 ( -1.870 0.000 -12.186) 12.328 11.576 ( 8.792 0.000 -2.044) 9.027 11.995 ( -3.726 0.000 6.684) 7.652 12.082 ( 2.748 0.000 -1.003) 2.925 12.408 ( 3.466 0.000 9.757) 10.354 12.541 ( 5.650 0.000 -5.116) 7.622 13.974 ( -9.928 0.000 4.997) 11.115 13.982 ( -7.107 0.000 -1.724) 7.313 14.371 ( -11.134 0.000 5.262) 12.315 14.749 ( 2.749 0.000 -10.711) 11.058 20.905 ( -3.605 0.000 0.713) 3.675 21.272 ( 10.876 0.000 0.280) 10.880 21.871 ( -1.367 0.000 2.913) 3.218 22.078 ( 5.202 0.000 3.484) 6.261 22.211 ( -0.270 0.000 -3.610) 3.620 22.220 ( 3.121 0.000 13.965) 14.309 22.390 ( -1.160 0.000 -3.985) 4.151 22.499 ( 4.319 0.000 -2.067) 4.788 23.142 ( -2.129 0.000 -2.453) 3.248 23.188 ( -0.742 0.000 0.758) 1.061 23.524 ( -0.871 0.000 2.062) 2.239 23.528 ( -0.365 0.000 0.122) 0.384 23.901 ( -2.212 0.000 -1.387) 2.611 23.960 ( -0.115 0.000 -1.039) 1.045 24.565 ( -9.931 0.000 13.620) 16.856 24.803 ( -3.263 0.000 -21.981) 22.222 ======================= Grid point 196 (100/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -13.574 0.000 14.493) 19.857 1.253 ( -20.965 0.000 7.469) 22.255 1.665 ( -12.821 0.000 19.956) 23.720 1.733 ( 4.716 0.000 -5.593) 7.316 1.873 ( -8.116 0.000 -5.329) 9.709 1.966 ( -9.541 0.000 -8.193) 12.576 2.121 ( 5.669 0.000 -4.310) 7.121 2.377 ( -1.942 0.000 0.492) 2.004 2.539 ( -18.008 0.000 9.450) 20.337 2.658 ( -12.479 0.000 -0.475) 12.488 2.704 ( -3.579 0.000 -2.947) 4.636 2.836 ( -3.629 0.000 4.844) 6.052 3.096 ( -5.524 0.000 -4.266) 6.980 3.403 ( 12.940 0.000 6.355) 14.416 3.698 ( -1.252 0.000 7.324) 7.431 3.698 ( 1.873 0.000 -4.593) 4.960 3.776 ( 1.948 0.000 -4.396) 4.808 3.927 ( -3.938 0.000 6.737) 7.804 4.080 ( 6.312 0.000 -0.291) 6.319 4.240 ( -4.760 0.000 7.796) 9.135 4.396 ( -0.277 0.000 4.891) 4.899 4.634 ( -7.626 0.000 -5.558) 9.437 4.957 ( -3.802 0.000 -1.259) 4.005 5.104 ( 2.005 0.000 3.374) 3.925 5.489 ( -13.833 0.000 7.973) 15.966 5.503 ( 2.430 0.000 -7.769) 8.140 5.696 ( -3.084 0.000 -1.745) 3.543 5.858 ( -7.768 0.000 -5.911) 9.761 5.876 ( -10.980 0.000 8.334) 13.785 6.297 ( 0.704 0.000 -0.641) 0.952 6.339 ( -12.348 0.000 -8.159) 14.800 6.510 ( 4.254 0.000 5.736) 7.142 6.631 ( -5.431 0.000 -0.881) 5.502 7.049 ( 2.069 0.000 -0.600) 2.155 7.531 ( 0.259 0.000 5.957) 5.963 7.930 ( 5.161 0.000 -5.123) 7.272 8.663 ( -4.980 0.000 9.326) 10.573 9.198 ( 10.579 0.000 -6.740) 12.544 9.225 ( -8.017 0.000 -8.449) 11.647 9.420 ( -1.854 0.000 -4.769) 5.117 9.760 ( -0.696 0.000 -2.301) 2.404 9.959 ( 8.502 0.000 -4.865) 9.795 10.545 ( 14.028 0.000 -6.923) 15.643 10.597 ( 10.652 0.000 3.133) 11.103 10.820 ( -2.483 0.000 -2.001) 3.189 11.223 ( -4.097 0.000 -10.911) 11.655 11.344 ( 2.344 0.000 3.221) 3.983 11.607 ( 0.446 0.000 -4.856) 4.877 12.055 ( -0.538 0.000 7.149) 7.169 12.191 ( 7.065 0.000 2.936) 7.651 12.587 ( 6.676 0.000 -2.709) 7.204 12.617 ( 9.374 0.000 7.972) 12.306 13.835 ( -15.319 0.000 6.802) 16.761 13.835 ( -7.547 0.000 -1.378) 7.671 14.229 ( -12.009 0.000 3.470) 12.500 14.557 ( -7.321 0.000 -13.910) 15.719 20.879 ( -1.428 0.000 1.818) 2.312 21.418 ( 8.435 0.000 -3.384) 9.089 21.827 ( -2.855 0.000 -4.194) 5.074 22.129 ( -1.302 0.000 -5.192) 5.353 22.227 ( 6.965 0.000 2.104) 7.276 22.331 ( 2.065 0.000 -2.382) 3.153 22.558 ( 3.299 0.000 0.567) 3.347 22.630 ( 16.802 0.000 14.985) 22.513 23.091 ( -1.597 0.000 -0.329) 1.630 23.244 ( 3.013 0.000 8.383) 8.908 23.530 ( 0.114 0.000 0.588) 0.598 23.557 ( 0.895 0.000 5.657) 5.727 23.825 ( -2.496 0.000 -4.252) 4.930 23.918 ( -1.220 0.000 -3.867) 4.055 24.297 ( -22.281 0.000 -25.514) 33.874 24.547 ( -12.208 0.000 13.137) 17.934 ======================= Grid point 197 (101/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -27.979 0.000 8.288) 29.180 1.046 ( -7.149 0.000 16.945) 18.391 1.503 ( -15.313 0.000 -14.590) 21.151 1.676 ( -0.116 0.000 -2.247) 2.250 1.800 ( -8.871 0.000 7.949) 11.912 1.863 ( 7.515 0.000 2.044) 7.788 2.111 ( 2.284 0.000 -2.859) 3.659 2.248 ( -9.449 0.000 -2.989) 9.910 2.357 ( -16.086 0.000 11.930) 20.027 2.563 ( 0.149 0.000 0.498) 0.520 2.713 ( 1.983 0.000 0.435) 2.030 2.795 ( -1.394 0.000 -3.534) 3.799 3.035 ( -4.577 0.000 6.660) 8.081 3.508 ( 4.619 0.000 -12.746) 13.558 3.701 ( 4.935 0.000 -0.230) 4.940 3.701 ( -7.269 0.000 6.879) 10.008 3.883 ( 10.400 0.000 -1.733) 10.543 3.964 ( -4.354 0.000 7.995) 9.104 4.158 ( 5.096 0.000 -3.032) 5.930 4.400 ( -0.632 0.000 -10.734) 10.753 4.481 ( 13.187 0.000 13.222) 18.674 4.499 ( -1.731 0.000 7.326) 7.528 4.881 ( -3.765 0.000 1.748) 4.151 5.155 ( -2.653 0.000 5.281) 5.910 5.309 ( -15.654 0.000 3.326) 16.003 5.452 ( 1.093 0.000 -6.426) 6.518 5.601 ( -14.592 0.000 -10.117) 17.756 5.655 ( 0.165 0.000 -4.142) 4.145 5.890 ( -1.743 0.000 11.329) 11.462 5.996 ( -12.325 0.000 1.493) 12.415 6.273 ( -0.423 0.000 -2.919) 2.950 6.481 ( -6.863 0.000 -1.979) 7.143 6.748 ( 5.749 0.000 11.660) 13.001 7.098 ( 2.815 0.000 1.064) 3.009 7.579 ( -1.416 0.000 2.879) 3.208 7.892 ( 1.611 0.000 -9.245) 9.384 8.668 ( -9.366 0.000 10.589) 14.137 9.030 ( -0.851 0.000 -8.643) 8.685 9.210 ( 3.768 0.000 -10.955) 11.585 9.324 ( -0.085 0.000 -7.357) 7.357 9.686 ( -3.864 0.000 -2.671) 4.698 9.903 ( -3.356 0.000 -13.161) 13.583 10.576 ( -8.274 0.000 4.618) 9.476 10.692 ( 13.354 0.000 -6.203) 14.724 10.977 ( 15.417 0.000 2.239) 15.579 11.177 ( 6.139 0.000 -4.982) 7.906 11.393 ( -1.482 0.000 0.972) 1.772 11.512 ( -0.455 0.000 -8.678) 8.690 12.135 ( 3.756 0.000 2.042) 4.276 12.292 ( 1.094 0.000 0.568) 1.233 12.718 ( 7.673 0.000 3.780) 8.553 12.909 ( 14.544 0.000 4.148) 15.124 13.674 ( -14.004 0.000 9.154) 16.731 13.729 ( -3.018 0.000 -0.579) 3.073 14.083 ( -9.022 0.000 2.067) 9.255 14.219 ( -15.770 0.000 -6.739) 17.150 20.903 ( 0.350 0.000 3.608) 3.625 21.440 ( 1.307 0.000 -8.211) 8.315 21.722 ( -2.470 0.000 -2.117) 3.253 22.026 ( -2.109 0.000 -6.594) 6.923 22.366 ( 2.242 0.000 1.496) 2.695 22.372 ( 5.718 0.000 3.491) 6.700 22.610 ( 2.409 0.000 0.117) 2.412 22.906 ( 7.546 0.000 -4.395) 8.732 23.091 ( 1.560 0.000 0.813) 1.759 23.384 ( -7.806 0.000 4.104) 8.819 23.548 ( 0.730 0.000 1.260) 1.457 23.562 ( -22.968 0.000 -8.856) 24.616 23.728 ( -1.404 0.000 -5.631) 5.803 23.849 ( 0.355 0.000 -3.736) 3.753 23.895 ( 21.401 0.000 11.942) 24.508 24.480 ( -14.229 0.000 11.117) 18.056 ======================= Grid point 198 (102/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.104 5.964 4.422) 7.425 1.103 ( -7.170 4.513 -13.533) 15.966 1.295 ( 0.763 6.333 9.906) 11.783 1.703 ( -2.854 -0.389 -7.028) 7.596 1.773 ( 7.217 -1.511 5.185) 9.014 2.015 ( -4.812 -2.873 -3.591) 6.656 2.059 ( 0.541 -0.371 -0.078) 0.660 2.081 ( 3.878 -1.105 -0.030) 4.032 2.414 ( -0.420 4.807 13.241) 14.093 2.608 ( -0.482 1.017 2.096) 2.379 2.737 ( 3.679 -0.638 -4.963) 6.211 2.828 ( 5.800 2.640 -1.574) 6.564 3.018 ( -6.969 0.565 7.286) 10.098 3.359 ( 3.740 -4.199 -8.633) 10.303 3.714 ( -4.260 0.992 2.955) 5.278 3.799 ( 1.358 2.423 5.439) 6.107 3.895 ( 1.503 -1.923 1.859) 3.068 4.157 ( 4.487 8.563 -4.176) 10.531 4.194 ( -1.245 2.501 -1.233) 3.054 4.322 ( -0.915 6.456 -5.392) 8.461 4.670 ( 2.427 1.201 4.556) 5.300 4.751 ( -0.543 6.701 4.366) 8.016 4.842 ( -5.651 -3.892 8.558) 10.969 5.142 ( 7.628 0.138 -3.179) 8.265 5.176 ( -5.316 -0.909 6.215) 8.229 5.377 ( -2.508 1.717 2.281) 3.800 5.403 ( 1.967 -0.166 -2.858) 3.473 5.556 ( -1.956 0.033 -7.014) 7.282 5.915 ( 1.334 -4.281 3.531) 5.707 6.126 ( -2.604 4.352 2.281) 5.561 6.199 ( 9.219 -3.641 1.247) 9.990 6.407 ( -3.571 5.329 -3.116) 7.132 6.971 ( 6.104 -0.754 10.122) 11.844 7.144 ( -1.247 0.390 0.210) 1.323 7.512 ( -2.534 -4.701 1.700) 5.604 7.754 ( 3.175 -3.758 -10.181) 11.307 8.670 ( -7.126 1.403 12.755) 14.678 9.022 ( 2.074 2.248 -5.749) 6.512 9.168 ( 1.626 8.122 -12.045) 14.618 9.240 ( 0.607 1.098 -12.080) 12.145 9.615 ( -3.159 4.103 0.784) 5.237 9.765 ( -4.167 7.555 -7.722) 11.579 10.507 ( -8.029 -3.820 9.079) 12.708 10.773 ( 7.012 -3.856 -5.222) 9.555 11.164 ( -1.258 -1.717 -3.001) 3.679 11.199 ( 7.234 -3.004 0.778) 7.871 11.286 ( -3.856 -0.055 -1.500) 4.138 11.394 ( 1.914 -1.867 -9.204) 9.584 12.241 ( 4.401 1.065 0.518) 4.557 12.266 ( -4.022 1.286 -0.957) 4.330 12.849 ( 1.216 -1.933 5.771) 6.206 13.028 ( 1.581 -3.852 -2.136) 4.680 13.566 ( -0.568 -8.390 6.981) 10.929 13.668 ( 3.213 -5.412 1.124) 6.394 13.967 ( -6.798 1.407 4.094) 8.059 14.036 ( -3.032 1.010 0.860) 3.310 20.981 ( 0.968 0.443 4.819) 4.936 21.250 ( -4.166 -1.958 -8.331) 9.518 21.758 ( 0.916 2.587 2.709) 3.856 21.924 ( -2.583 1.467 -5.787) 6.505 22.227 ( -0.136 -10.088 5.381) 11.434 22.404 ( -1.901 -5.220 -4.667) 7.255 22.807 ( 1.318 12.151 6.373) 13.784 22.958 ( -15.790 10.323 -0.928) 18.888 23.138 ( 2.229 -2.788 0.330) 3.585 23.209 ( 9.129 3.963 -2.203) 10.193 23.492 ( -0.113 1.508 0.573) 1.617 23.600 ( 1.868 -2.960 -4.517) 5.714 23.644 ( -1.496 4.466 1.928) 5.089 23.824 ( -1.020 4.861 -5.182) 7.178 24.288 ( -7.599 -4.586 8.857) 12.539 24.451 ( 15.898 0.801 -0.143) 15.919 ======================= Grid point 199 (103/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 14.738 4.553 -1.695) 15.518 1.094 ( 26.344 3.819 5.029) 27.090 1.476 ( 5.319 1.955 8.302) 10.051 1.578 ( -0.001 2.323 -6.167) 6.590 1.824 ( -4.044 -2.666 -5.365) 7.228 1.956 ( -0.996 0.227 1.367) 1.706 2.056 ( 6.053 -5.571 0.821) 8.267 2.177 ( 4.330 0.353 -1.951) 4.763 2.504 ( -2.496 3.562 2.352) 4.945 2.661 ( 6.855 0.814 1.585) 7.083 2.803 ( 8.687 -2.337 -3.105) 9.516 2.911 ( 7.361 4.164 -3.859) 9.296 3.059 ( 1.753 3.098 7.788) 8.563 3.341 ( 4.623 -1.989 -6.770) 8.435 3.668 ( -5.292 4.175 4.133) 7.907 3.850 ( -1.611 -3.794 -3.676) 5.523 3.944 ( 0.674 1.231 7.362) 7.495 4.082 ( -1.318 5.261 -3.178) 6.286 4.231 ( 1.690 4.255 0.203) 4.583 4.267 ( 3.028 3.798 -5.830) 7.589 4.711 ( 4.140 4.269 1.208) 6.068 4.805 ( -7.199 4.961 3.188) 9.307 4.937 ( 4.434 -4.501 5.847) 8.608 5.143 ( 2.284 4.090 0.045) 4.685 5.227 ( 5.516 0.712 0.136) 5.563 5.349 ( -2.426 2.151 -1.532) 3.586 5.510 ( 9.307 -2.100 -0.432) 9.551 5.586 ( 12.408 0.954 -2.580) 12.709 5.970 ( -0.359 -4.781 3.119) 5.720 6.089 ( 1.699 -0.514 -2.919) 3.416 6.309 ( 1.585 3.332 -1.440) 3.961 6.452 ( 10.926 3.061 0.381) 11.353 7.064 ( -5.674 -1.032 -3.781) 6.896 7.155 ( 4.477 0.172 3.785) 5.865 7.509 ( -1.149 -4.543 4.554) 6.535 7.702 ( 4.503 -1.981 -8.350) 9.691 8.774 ( -1.746 -0.123 15.499) 15.598 8.984 ( -0.438 2.433 -2.142) 3.271 9.087 ( 1.169 5.315 -6.283) 8.312 9.103 ( 1.915 1.729 -11.218) 11.511 9.628 ( 0.531 6.240 4.929) 7.970 9.673 ( -0.803 6.797 -1.406) 6.987 10.422 ( -14.310 -3.117 7.179) 16.311 10.777 ( -0.340 -5.563 -3.757) 6.721 11.033 ( -10.453 -1.690 -0.725) 10.613 11.194 ( -1.976 0.188 1.615) 2.559 11.281 ( 3.223 -2.244 -8.932) 9.757 11.367 ( 3.520 -1.531 -0.527) 3.875 12.182 ( -3.032 1.117 -1.159) 3.433 12.289 ( -0.466 0.476 1.502) 1.642 12.855 ( -7.079 -2.679 3.441) 8.314 12.888 ( -11.856 -2.538 -3.311) 12.569 13.657 ( 4.904 -6.162 1.132) 7.956 13.778 ( 9.046 -5.193 -1.138) 10.492 14.034 ( 6.553 0.844 4.885) 8.217 14.112 ( 7.316 1.303 3.442) 8.190 21.048 ( -2.532 -1.658 2.930) 4.213 21.113 ( -0.959 0.451 -1.361) 1.725 21.807 ( -1.708 1.542 0.317) 2.323 21.825 ( -0.729 2.779 0.002) 2.873 22.256 ( -4.704 -7.164 1.476) 8.696 22.294 ( -4.529 -6.974 0.925) 8.367 22.769 ( -6.389 10.500 0.297) 12.294 22.874 ( -3.030 11.661 6.287) 13.590 23.248 ( 8.791 0.021 -0.772) 8.825 23.351 ( 12.283 -0.718 -2.562) 12.568 23.513 ( 0.762 0.634 1.443) 1.751 23.556 ( 0.791 -1.409 -4.504) 4.785 23.690 ( 0.283 3.237 2.820) 4.303 23.775 ( 3.020 5.671 -2.452) 6.877 24.106 ( -16.196 -1.427 1.567) 16.335 24.744 ( 17.907 -3.310 -4.682) 18.802 ======================= Grid point 200 (104/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 14.327 1.583 2.758) 14.675 1.496 ( 2.976 1.974 -0.162) 3.574 1.514 ( 11.575 0.906 4.666) 12.513 1.675 ( 8.455 2.869 -4.605) 10.046 1.784 ( 1.452 1.131 4.557) 4.915 1.934 ( 2.929 3.847 -0.728) 4.889 2.190 ( 7.169 -6.881 -2.477) 10.242 2.227 ( 5.809 -4.710 1.521) 7.632 2.472 ( -3.136 0.851 0.455) 3.281 2.767 ( 8.962 -4.249 -3.948) 10.675 2.964 ( 11.465 6.522 -1.297) 13.253 2.987 ( 8.012 3.852 -2.911) 9.354 3.184 ( 0.269 4.200 6.274) 7.555 3.330 ( 4.055 2.064 -6.988) 8.339 3.641 ( -1.420 1.799 -0.170) 2.298 3.736 ( -4.323 -1.690 -1.675) 4.934 4.024 ( 1.762 7.381 -4.312) 8.728 4.046 ( -2.946 -1.723 5.012) 6.063 4.244 ( 3.586 -2.473 -5.361) 6.908 4.289 ( 4.946 4.831 -0.750) 6.954 4.640 ( -5.527 2.704 -5.166) 8.034 4.883 ( 10.494 7.991 -2.042) 13.347 4.953 ( -1.116 0.279 1.016) 1.535 5.199 ( -2.215 2.914 -0.921) 3.774 5.320 ( 4.113 -0.592 0.906) 4.253 5.443 ( 10.971 1.730 6.535) 12.886 5.650 ( 7.708 -0.731 -1.878) 7.967 5.759 ( 13.099 -1.293 -4.266) 13.837 6.014 ( 3.055 -5.717 1.928) 6.763 6.131 ( 6.240 -0.522 0.259) 6.267 6.346 ( 5.285 3.934 -3.128) 7.293 6.605 ( 6.337 2.224 0.369) 6.726 6.882 ( -6.773 -1.286 -7.618) 10.275 7.194 ( 1.778 2.326 -4.476) 5.349 7.595 ( 1.283 -5.671 7.121) 9.193 7.698 ( 4.713 -2.124 -5.101) 7.263 8.921 ( -3.674 0.608 -2.307) 4.381 8.958 ( 1.666 -1.194 12.915) 13.077 9.009 ( -6.798 1.782 0.041) 7.027 9.119 ( 9.171 4.923 -0.312) 10.413 9.668 ( -0.562 5.471 1.265) 5.644 9.728 ( -0.528 6.721 8.085) 10.527 10.254 ( -15.164 -2.006 7.122) 16.872 10.662 ( -8.863 -3.449 -1.944) 9.707 10.889 ( -2.392 0.381 -0.880) 2.577 11.185 ( 0.914 -2.551 -3.092) 4.111 11.265 ( 2.387 0.340 -0.223) 2.422 11.404 ( 0.806 -3.129 1.079) 3.406 12.149 ( -0.143 -1.347 -0.983) 1.674 12.279 ( -1.929 1.344 1.117) 2.602 12.617 ( -14.836 -1.778 -3.088) 15.258 12.729 ( -9.793 -2.551 0.189) 10.122 13.771 ( 7.946 -3.749 -0.412) 8.795 13.922 ( 9.784 -4.885 -1.307) 11.013 14.213 ( 7.575 -0.250 4.123) 8.628 14.308 ( 9.134 2.576 3.991) 10.295 20.979 ( -1.982 0.454 -2.219) 3.009 21.161 ( -2.123 -2.647 6.145) 7.020 21.753 ( -0.381 2.568 -0.814) 2.721 21.862 ( -3.031 0.978 6.032) 6.822 22.141 ( -5.910 -3.941 -0.654) 7.133 22.277 ( -3.079 -4.018 2.651) 5.714 22.711 ( -2.109 9.139 0.066) 9.379 22.882 ( -3.114 10.168 3.839) 11.306 23.340 ( 6.982 3.880 -5.693) 9.809 23.497 ( 1.709 -4.771 -5.231) 7.284 23.523 ( 3.121 -1.209 -3.245) 4.662 23.561 ( 4.271 -2.068 4.291) 6.398 23.714 ( 0.042 2.181 3.234) 3.901 23.848 ( -10.542 -0.267 -3.633) 11.154 23.902 ( 8.831 6.721 4.929) 12.143 24.922 ( 13.164 -3.507 -7.516) 15.559 ======================= Grid point 201 (105/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 6.096 -1.954 -7.387) 9.775 1.609 ( -1.586 3.143 -0.248) 3.529 1.674 ( 0.563 2.357 4.600) 5.199 1.792 ( 10.553 2.472 6.850) 12.822 1.880 ( 6.574 2.681 -1.380) 7.233 1.998 ( 0.522 1.413 1.641) 2.228 2.241 ( 3.926 4.468 -3.504) 6.903 2.355 ( -1.243 -1.559 0.188) 2.003 2.451 ( 4.358 -11.659 4.267) 13.158 2.902 ( 10.598 -4.259 -2.865) 11.775 3.055 ( 4.644 2.854 -0.425) 5.467 3.111 ( 5.608 7.035 -2.507) 9.340 3.247 ( 0.571 4.380 5.538) 7.083 3.298 ( 3.746 5.201 -7.040) 9.520 3.597 ( -2.631 -6.288 0.016) 6.816 3.719 ( 4.299 3.294 -4.526) 7.058 3.966 ( 1.156 5.212 -5.531) 7.687 4.029 ( -2.159 2.678 -0.744) 3.519 4.217 ( 1.589 1.360 -6.681) 7.001 4.376 ( 1.537 2.347 4.256) 5.098 4.546 ( 3.392 0.441 -6.192) 7.074 4.823 ( -4.930 2.609 -5.396) 7.761 5.048 ( 0.325 2.926 -2.356) 3.771 5.218 ( 11.400 6.604 0.330) 13.179 5.332 ( -1.849 0.238 -2.131) 2.831 5.680 ( 3.571 -0.524 9.324) 9.998 5.770 ( 10.047 -0.783 -1.229) 10.152 5.889 ( 9.788 -2.949 -5.642) 11.677 6.113 ( 5.915 -6.534 1.151) 8.888 6.291 ( 8.395 -2.958 2.691) 9.299 6.368 ( 3.170 3.820 -4.895) 6.971 6.648 ( -1.409 4.825 -3.302) 6.014 6.709 ( -1.034 -2.143 -4.673) 5.244 7.156 ( 1.589 3.189 -5.515) 6.566 7.646 ( 1.005 -4.959 -2.095) 5.477 7.732 ( 1.662 -1.821 0.564) 2.529 8.838 ( -11.763 0.366 4.052) 12.447 8.856 ( -2.347 0.173 -4.551) 5.123 9.171 ( 3.172 -2.650 13.939) 14.539 9.318 ( 9.305 4.394 5.677) 11.752 9.662 ( -2.097 4.688 1.247) 5.285 9.756 ( -5.759 7.490 5.584) 10.975 10.128 ( -11.561 -0.073 8.533) 14.369 10.476 ( -9.010 -1.321 -2.354) 9.406 10.979 ( 8.130 -1.062 5.073) 9.642 11.171 ( 4.284 -2.823 -5.484) 7.510 11.306 ( 0.403 1.517 2.360) 2.834 11.451 ( 2.036 -4.035 3.176) 5.524 12.103 ( -4.268 -2.975 -2.005) 5.575 12.267 ( 1.037 2.863 -3.218) 4.430 12.371 ( -11.327 -1.811 0.665) 11.490 12.571 ( -7.731 -1.381 -0.869) 7.901 13.890 ( 6.227 -3.695 0.104) 7.242 14.051 ( 7.384 -3.938 -1.555) 8.512 14.376 ( 4.235 0.561 6.110) 7.455 14.483 ( 6.863 1.852 2.876) 7.668 20.950 ( 0.731 0.709 -0.763) 1.272 21.154 ( -5.860 -2.732 3.640) 7.420 21.782 ( 1.854 0.870 2.402) 3.157 21.858 ( -6.672 -0.731 6.568) 9.391 22.074 ( -1.736 -1.234 0.446) 2.175 22.266 ( -2.135 1.964 3.395) 4.465 22.669 ( -1.980 6.668 -2.432) 7.368 22.862 ( -2.882 12.565 0.384) 12.897 23.342 ( 5.046 4.292 -10.202) 12.164 23.391 ( -2.442 -3.136 -8.242) 9.151 23.510 ( 0.188 -1.538 -1.193) 1.955 23.617 ( -1.976 -1.753 -2.557) 3.676 23.720 ( 2.203 -1.485 4.696) 5.395 23.829 ( 1.553 0.388 4.464) 4.742 24.160 ( 8.836 3.066 10.437) 14.014 25.005 ( 9.892 -3.261 -9.536) 14.122 ======================= Grid point 202 (106/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.910 -1.654 -0.163) 1.895 1.572 ( 2.763 2.965 -2.132) 4.579 1.651 ( -7.498 0.232 -0.862) 7.551 1.941 ( 4.125 1.010 -4.675) 6.316 2.004 ( 2.866 3.781 4.196) 6.334 2.047 ( 4.372 0.887 5.885) 7.385 2.195 ( -2.966 10.254 -2.775) 11.030 2.305 ( -1.384 -3.480 -1.167) 3.923 2.598 ( 2.549 -7.695 5.257) 9.661 2.978 ( 1.928 -6.794 -2.592) 7.523 3.096 ( 1.577 10.144 -2.942) 10.679 3.137 ( 1.009 2.184 0.653) 2.493 3.290 ( 2.279 2.877 -0.459) 3.699 3.335 ( 3.466 1.818 -1.741) 4.284 3.572 ( -0.672 -7.211 0.353) 7.251 3.695 ( 0.717 4.056 -6.521) 7.713 3.965 ( 0.545 -0.135 0.091) 0.568 4.010 ( 3.500 7.482 -0.442) 8.272 4.141 ( -0.430 7.608 -5.138) 9.191 4.417 ( -3.277 2.887 4.048) 5.955 4.568 ( 4.944 -0.364 -5.554) 7.445 4.649 ( -5.332 -3.415 -5.796) 8.584 4.984 ( -2.004 5.290 -2.360) 6.130 5.239 ( -3.071 3.613 -4.883) 6.806 5.449 ( 9.951 3.118 3.677) 11.057 5.789 ( -2.576 -1.321 8.055) 8.560 5.901 ( 8.694 -5.106 -6.059) 11.764 5.947 ( 3.407 0.499 -0.563) 3.489 6.203 ( 2.664 -6.031 -1.338) 6.728 6.317 ( -3.001 -0.604 -3.472) 4.629 6.394 ( 5.767 1.580 -2.455) 6.464 6.582 ( -1.470 -4.884 -5.659) 7.618 6.729 ( 6.277 4.350 2.959) 8.190 7.085 ( -3.061 0.959 -5.567) 6.425 7.628 ( -1.401 -1.708 -0.640) 2.300 7.726 ( 1.300 0.783 -3.601) 3.908 8.660 ( -13.736 -0.332 5.945) 14.971 8.828 ( 2.988 -2.024 -3.368) 4.936 9.389 ( 2.017 -3.244 12.787) 13.345 9.534 ( 7.754 2.612 5.587) 9.908 9.649 ( 0.394 6.022 0.516) 6.056 9.722 ( -3.010 8.534 1.586) 9.188 10.087 ( -5.562 1.087 8.089) 9.877 10.339 ( -2.555 -0.407 -3.560) 4.400 11.151 ( -1.593 -3.956 7.000) 8.197 11.217 ( 9.838 -2.205 -2.913) 10.494 11.332 ( -1.077 2.485 1.961) 3.344 11.518 ( 4.776 -2.970 -2.939) 6.346 12.006 ( -3.638 -0.885 0.900) 3.851 12.197 ( -2.092 0.147 -4.056) 4.566 12.267 ( -6.953 -0.570 3.128) 7.646 12.490 ( -0.530 -1.084 -1.000) 1.567 13.967 ( 1.460 -4.094 1.799) 4.704 14.111 ( 2.567 -2.898 -2.367) 4.538 14.483 ( -2.247 2.409 7.571) 8.257 14.616 ( 6.672 -1.244 0.904) 6.847 20.984 ( 3.411 0.321 0.767) 3.511 21.078 ( -6.310 -0.947 1.270) 6.506 21.818 ( -5.342 -1.441 4.489) 7.125 21.843 ( 0.440 -3.092 2.957) 4.301 22.102 ( 1.378 3.104 4.492) 5.631 22.300 ( -0.877 6.972 6.137) 9.330 22.573 ( -2.609 4.338 -6.803) 8.480 22.790 ( -1.635 14.352 -5.653) 15.512 23.259 ( 0.977 -1.301 -7.794) 7.962 23.296 ( 1.351 0.999 -7.484) 7.671 23.504 ( -0.736 -1.019 0.708) 1.443 23.569 ( -0.206 0.045 -2.144) 2.155 23.828 ( 2.447 -2.914 5.034) 6.310 23.894 ( 0.167 -0.081 3.468) 3.473 24.396 ( 1.575 0.146 12.839) 12.936 25.018 ( 7.272 -3.445 -11.426) 13.976 ======================= Grid point 203 (107/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -13.027 1.271 3.793) 13.628 1.478 ( -11.986 2.733 5.145) 13.327 1.663 ( 9.018 -3.647 -1.553) 9.850 1.872 ( -0.799 0.098 -7.710) 7.751 2.064 ( -3.104 7.631 1.923) 8.459 2.142 ( 2.610 7.990 0.310) 8.411 2.211 ( 3.439 0.622 4.602) 5.779 2.250 ( -2.119 -0.964 -3.025) 3.817 2.653 ( -4.340 -4.252 6.519) 8.912 2.907 ( -2.228 -3.321 -7.522) 8.519 3.042 ( -6.905 7.422 2.509) 10.443 3.141 ( -2.931 -1.671 -1.488) 3.687 3.285 ( -2.842 1.520 -3.163) 4.516 3.336 ( 1.711 2.242 0.120) 2.823 3.581 ( -1.323 -0.012 0.518) 1.421 3.628 ( 1.082 0.845 -2.256) 2.641 3.951 ( -1.725 3.170 -0.556) 3.651 4.018 ( -0.190 2.995 -2.560) 3.945 4.187 ( 0.438 6.712 6.583) 9.412 4.363 ( -4.429 9.840 0.093) 10.791 4.430 ( -6.359 -6.006 -5.549) 10.358 4.658 ( 7.454 -7.286 -3.501) 10.996 4.955 ( -2.041 7.547 3.163) 8.433 5.142 ( -0.144 5.942 -5.628) 8.186 5.573 ( -2.045 -1.117 5.157) 5.659 5.793 ( -4.010 -1.649 0.160) 4.339 5.884 ( -1.163 -2.696 -4.738) 5.574 6.045 ( 5.966 0.500 3.866) 7.126 6.177 ( -1.330 -1.157 -6.008) 6.262 6.192 ( -3.119 -3.504 -1.624) 4.964 6.382 ( -13.363 -1.650 -2.452) 13.686 6.521 ( 6.585 -2.660 -0.678) 7.134 6.879 ( -0.857 -0.711 -0.885) 1.422 6.954 ( 3.013 -0.957 -3.127) 4.446 7.532 ( -9.497 2.473 2.108) 10.038 7.766 ( 8.315 0.885 -4.142) 9.331 8.570 ( -7.832 -1.517 8.700) 11.804 8.881 ( 8.487 -3.384 -3.241) 9.695 9.497 ( -3.685 -1.333 6.747) 7.802 9.646 ( -2.159 6.108 1.490) 6.647 9.722 ( 6.322 5.487 0.804) 8.410 9.748 ( 8.935 5.155 -1.968) 10.501 10.149 ( 2.328 0.934 6.610) 7.070 10.316 ( 5.732 -0.196 -4.284) 7.158 11.117 ( -8.316 -1.332 1.266) 8.517 11.273 ( -7.033 -0.842 6.338) 9.505 11.375 ( 10.432 -2.497 -5.601) 12.101 11.554 ( 7.367 -0.006 -6.586) 9.882 12.006 ( -2.453 -0.200 3.411) 4.207 12.121 ( -0.976 1.010 -4.341) 4.562 12.245 ( -3.609 -1.982 10.809) 11.567 12.495 ( 4.020 -1.794 -3.946) 5.911 13.974 ( -4.707 -4.577 3.391) 7.390 14.079 ( -2.421 -2.552 -2.794) 4.492 14.483 ( -7.916 2.514 6.473) 10.530 14.711 ( 4.728 -3.220 -1.881) 6.022 20.990 ( -4.666 0.905 0.338) 4.765 21.089 ( 7.005 -0.577 1.423) 7.171 21.793 ( -4.263 -2.913 4.950) 7.152 21.887 ( 2.003 -5.005 1.195) 5.522 22.223 ( 3.434 7.818 8.748) 12.225 22.367 ( -1.733 12.087 4.005) 12.851 22.447 ( -0.883 0.660 -4.518) 4.651 22.683 ( 0.935 12.918 -10.219) 16.498 23.201 ( -0.604 -0.904 -3.108) 3.293 23.228 ( -0.233 1.142 -4.763) 4.903 23.498 ( -1.598 -0.996 1.188) 2.226 23.553 ( 0.709 0.636 -1.266) 1.584 23.901 ( -0.758 -3.139 2.287) 3.957 23.924 ( 0.684 -1.004 1.918) 2.270 24.522 ( -5.287 -0.657 12.989) 14.039 24.956 ( 3.837 -4.132 -14.303) 15.374 ======================= Grid point 204 (108/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -15.010 2.867 4.850) 16.032 1.412 ( -13.824 3.531 15.862) 21.335 1.755 ( 3.341 -2.560 -6.025) 7.350 1.805 ( 2.237 -1.418 -0.381) 2.676 1.951 ( -10.346 9.971 0.447) 14.376 2.149 ( -3.661 -0.716 -4.851) 6.119 2.186 ( 1.529 6.570 -1.404) 6.890 2.328 ( 3.624 -0.381 3.786) 5.255 2.607 ( -10.654 -2.125 5.466) 12.162 2.745 ( -7.066 -5.378 -5.959) 10.694 2.949 ( -11.771 4.519 6.318) 14.103 3.009 ( -6.496 4.022 -0.985) 7.704 3.156 ( -8.105 -0.412 -0.930) 8.169 3.392 ( 3.006 7.697 0.661) 8.289 3.575 ( 1.270 0.221 2.332) 2.664 3.653 ( 1.771 -2.806 -0.157) 3.322 3.907 ( -1.992 2.980 -1.052) 3.736 3.987 ( -2.846 3.047 -1.063) 4.303 4.131 ( -3.058 6.046 -2.897) 7.369 4.279 ( -8.722 -2.858 3.683) 9.890 4.411 ( 2.736 8.676 3.916) 9.904 4.739 ( 4.124 -6.743 -1.770) 8.100 4.953 ( -2.858 5.356 2.057) 6.410 5.116 ( 1.291 5.044 -0.864) 5.278 5.542 ( -9.047 -2.922 6.185) 11.342 5.639 ( -3.264 -1.004 -12.305) 12.771 5.793 ( -7.777 -0.026 2.246) 8.095 6.019 ( -8.459 -1.302 -2.718) 8.979 6.077 ( -13.561 -0.016 -1.590) 13.654 6.189 ( 1.345 -4.695 3.780) 6.176 6.271 ( 5.149 -0.725 6.571) 8.380 6.538 ( -2.203 -7.429 -6.059) 9.837 6.752 ( -3.444 2.983 -3.524) 5.760 7.043 ( 3.471 -0.032 -0.263) 3.481 7.447 ( -4.553 -0.237 4.592) 6.471 7.850 ( 6.690 -0.990 -3.456) 7.595 8.594 ( -4.011 -2.228 9.641) 10.677 9.013 ( 10.489 -4.610 -2.308) 11.688 9.477 ( -3.139 2.957 -0.125) 4.314 9.571 ( -3.222 7.410 -4.719) 9.357 9.806 ( 5.330 4.702 -4.393) 8.356 9.886 ( 9.368 4.431 -1.198) 10.432 10.330 ( 10.062 -0.640 5.650) 11.558 10.408 ( 11.668 0.064 -5.495) 12.897 10.958 ( -7.796 2.048 -2.047) 8.316 11.253 ( -2.960 -3.145 4.255) 6.062 11.404 ( 0.942 -3.805 -8.749) 9.587 11.592 ( 5.007 -0.026 -4.040) 6.434 12.005 ( -3.559 1.160 6.748) 7.717 12.093 ( 3.174 1.230 -1.106) 3.579 12.388 ( 3.469 -2.057 10.064) 10.843 12.517 ( 5.435 -2.325 -5.004) 7.744 13.895 ( -10.238 -5.097 4.119) 12.156 13.968 ( -7.277 -3.532 -2.047) 8.344 14.390 ( -11.413 1.921 4.756) 12.513 14.698 ( -1.212 -4.158 -5.914) 7.331 20.932 ( -2.346 2.389 -0.139) 3.351 21.244 ( 9.665 -2.654 0.210) 10.025 21.798 ( -1.944 -4.286 3.525) 5.880 21.946 ( 2.415 -6.317 2.824) 7.329 22.264 ( -1.549 3.766 -9.111) 9.980 22.425 ( 5.584 9.058 8.043) 13.339 22.514 ( 1.850 11.190 6.018) 12.840 22.610 ( 4.811 12.680 -2.470) 13.785 23.144 ( -2.348 0.147 -1.914) 3.033 23.187 ( -1.069 -0.040 0.117) 1.077 23.482 ( -1.964 -1.936 1.120) 2.977 23.560 ( 0.947 1.354 0.069) 1.654 23.866 ( -2.812 -3.077 -1.742) 4.518 23.950 ( 0.134 -1.412 -0.118) 1.423 24.557 ( -9.367 -0.686 12.922) 15.975 24.760 ( -3.747 -3.687 -19.471) 20.168 ======================= Grid point 205 (109/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -13.219 3.452 10.313) 17.118 1.353 ( -16.253 7.242 13.162) 22.133 1.723 ( 0.090 0.133 -4.422) 4.425 1.774 ( -7.414 4.732 4.356) 9.815 1.827 ( -4.928 0.056 -1.524) 5.159 2.000 ( -8.024 0.819 -1.822) 8.269 2.132 ( -2.653 1.550 -6.040) 6.777 2.376 ( -4.202 1.419 -1.746) 4.767 2.476 ( -11.745 -3.539 5.815) 13.575 2.562 ( -2.666 -7.750 -2.911) 8.697 2.794 ( -12.531 7.005 3.756) 14.839 2.938 ( -5.547 6.010 2.029) 8.427 3.056 ( -5.263 -0.740 3.326) 6.270 3.467 ( 5.428 4.200 -1.498) 7.025 3.654 ( 2.955 -2.545 -0.808) 3.983 3.694 ( 3.538 -2.060 2.960) 5.052 3.823 ( -3.743 4.373 -2.287) 6.194 3.971 ( 1.415 1.685 4.597) 5.096 4.138 ( 3.291 5.538 0.556) 6.466 4.265 ( -0.744 4.139 10.045) 10.890 4.483 ( -0.580 7.060 4.178) 8.224 4.670 ( -5.834 2.611 -5.128) 8.194 4.940 ( -4.835 -2.900 2.275) 6.080 5.099 ( -2.192 0.959 1.904) 3.058 5.460 ( -10.764 -1.822 5.661) 12.298 5.493 ( 1.818 -0.317 -6.990) 7.229 5.662 ( -8.568 -3.370 -0.917) 9.252 5.865 ( -4.858 0.485 -5.829) 7.603 5.907 ( -8.425 1.979 7.082) 11.182 6.191 ( -8.003 -8.296 -0.485) 11.537 6.325 ( -6.451 -2.742 -7.621) 10.354 6.490 ( 6.240 -1.326 10.203) 12.034 6.655 ( -5.543 3.502 -1.991) 6.852 7.075 ( 2.018 1.975 -0.115) 2.826 7.475 ( -0.753 -4.789 5.146) 7.070 7.885 ( 3.786 -3.765 -5.440) 7.623 8.644 ( -4.925 -1.913 9.620) 10.976 9.122 ( 5.111 -4.964 -3.096) 7.769 9.381 ( 1.035 10.515 -11.131) 15.347 9.468 ( -1.740 4.718 -5.164) 7.208 9.781 ( 0.011 2.792 -5.974) 6.594 10.014 ( 7.741 5.277 -2.846) 9.791 10.527 ( 10.787 -1.671 -6.866) 12.895 10.578 ( 10.682 -1.771 2.515) 11.116 10.848 ( -1.441 2.604 -2.773) 4.068 11.201 ( -0.840 -1.628 -8.096) 8.300 11.332 ( 1.316 -1.539 1.758) 2.682 11.576 ( -0.356 -3.197 -5.482) 6.356 12.061 ( 0.001 0.892 6.139) 6.203 12.205 ( 6.324 1.259 3.637) 7.403 12.565 ( 6.733 -2.159 -2.391) 7.464 12.593 ( 8.384 -2.348 7.939) 11.783 13.754 ( -13.933 -5.502 6.021) 16.144 13.798 ( -9.957 -5.172 -1.214) 11.285 14.237 ( -12.690 1.260 3.345) 13.184 14.517 ( -10.316 -3.121 -7.263) 12.997 20.910 ( -0.586 2.752 0.412) 2.844 21.376 ( 7.832 -4.307 -3.498) 9.598 21.789 ( -2.188 -2.386 -0.261) 3.248 22.041 ( 2.690 -8.754 5.266) 10.564 22.137 ( -0.722 0.630 -8.084) 8.141 22.463 ( 3.183 9.312 -6.461) 11.772 22.605 ( 3.527 5.168 3.356) 7.100 22.917 ( 14.143 18.256 9.605) 25.011 23.094 ( -1.671 0.236 -0.237) 1.704 23.233 ( 4.334 -1.012 8.110) 9.251 23.462 ( -2.258 -4.279 1.485) 5.061 23.594 ( 2.214 1.740 2.770) 3.950 23.779 ( -3.082 -3.291 -3.937) 5.986 23.918 ( -1.436 -0.892 -3.681) 4.051 24.327 ( -16.927 2.883 -20.833) 26.997 24.541 ( -11.433 -0.522 12.061) 16.627 ======================= Grid point 206 (110/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -19.485 2.690 10.935) 22.505 1.238 ( -11.430 12.278 10.133) 19.598 1.499 ( -13.433 0.049 -13.374) 18.956 1.672 ( -1.600 -0.369 -1.843) 2.469 1.840 ( -4.879 1.502 2.313) 5.604 1.892 ( 2.338 3.113 2.687) 4.730 2.076 ( 2.159 -2.744 -0.366) 3.511 2.205 ( -7.787 -3.594 -4.722) 9.790 2.350 ( -10.300 -0.319 7.892) 12.979 2.575 ( 1.200 1.047 0.442) 1.653 2.741 ( -0.862 1.964 5.300) 5.717 2.833 ( -4.677 3.116 -3.525) 6.634 3.044 ( -5.085 2.286 6.239) 8.367 3.439 ( 0.223 -4.043 -8.297) 9.232 3.683 ( 3.131 -2.388 0.046) 3.938 3.772 ( -3.769 5.934 5.163) 8.722 3.820 ( 3.750 -2.098 2.432) 4.938 4.076 ( 3.230 5.280 3.683) 7.203 4.203 ( 4.554 3.342 -2.277) 6.091 4.440 ( -0.506 3.464 -9.597) 10.216 4.550 ( 13.385 6.830 10.849) 18.534 4.573 ( -3.357 6.797 7.736) 10.831 4.865 ( -5.661 -2.850 3.703) 7.340 5.122 ( -2.930 -2.414 5.845) 6.970 5.278 ( -15.126 -2.021 0.642) 15.274 5.426 ( -2.291 -1.427 -4.467) 5.219 5.538 ( -5.258 -3.511 -3.895) 7.426 5.710 ( -6.075 2.873 -7.727) 10.240 5.888 ( -5.062 -3.691 4.946) 7.981 6.003 ( -2.737 2.622 6.318) 7.368 6.228 ( -2.578 -3.112 -2.545) 4.776 6.527 ( -6.567 4.067 -1.826) 7.938 6.731 ( 6.249 -0.635 11.574) 13.169 7.121 ( 2.434 1.777 0.829) 3.125 7.515 ( -1.326 -5.930 3.422) 6.974 7.838 ( 1.667 -4.878 -8.863) 10.253 8.662 ( -7.952 -0.342 10.775) 13.395 9.084 ( 0.549 1.854 -7.758) 7.995 9.284 ( 3.530 8.312 -12.206) 15.183 9.365 ( 0.460 3.559 -9.887) 10.518 9.691 ( -3.597 2.045 -2.855) 5.028 9.976 ( -3.312 6.444 -11.134) 13.284 10.522 ( -4.877 -4.650 2.491) 7.184 10.690 ( 9.607 -0.522 -4.808) 10.756 10.975 ( 13.877 0.015 1.556) 13.964 11.185 ( 5.749 0.496 -5.288) 7.827 11.368 ( -1.786 -2.521 0.982) 3.242 11.475 ( 0.174 -3.547 -8.443) 9.160 12.146 ( 4.376 1.194 1.871) 4.907 12.302 ( 0.723 0.877 1.089) 1.574 12.700 ( 7.693 -1.708 3.907) 8.796 12.862 ( 13.146 -4.502 4.840) 14.715 13.595 ( -14.685 -6.442 9.074) 18.425 13.668 ( -4.293 -5.320 0.259) 6.841 14.075 ( -10.463 0.395 2.451) 10.753 14.225 ( -15.173 -0.103 -3.143) 15.495 20.925 ( 0.532 2.031 2.175) 3.023 21.388 ( 1.292 -4.764 -7.694) 9.141 21.742 ( -1.471 1.922 -0.222) 2.431 22.033 ( -1.534 0.553 -6.244) 6.454 22.147 ( 1.740 -10.603 5.389) 12.021 22.449 ( 4.184 1.407 -6.527) 7.880 22.702 ( 2.187 9.644 5.118) 11.135 23.067 ( -0.228 5.136 1.943) 5.496 23.106 ( 5.811 3.622 -1.889) 7.103 23.324 ( -11.031 -3.260 -2.020) 11.679 23.492 ( 1.762 -0.053 0.585) 1.857 23.639 ( -2.962 -1.444 -5.718) 6.600 23.740 ( -8.271 3.267 -4.586) 10.006 23.900 ( 16.187 1.624 8.548) 18.377 23.932 ( -0.734 6.688 -3.120) 7.417 24.477 ( -12.533 -0.252 9.621) 15.802 ======================= Grid point 207 (111/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 1.822 10.481 1.395) 10.730 1.197 ( -3.732 4.457 -13.440) 14.643 1.427 ( -3.045 5.802 6.378) 9.144 1.677 ( 0.247 -1.291 -5.999) 6.141 1.719 ( 1.621 -4.155 5.156) 6.817 1.930 ( -0.793 -4.941 -5.004) 7.077 1.988 ( -3.170 -3.871 -1.437) 5.205 2.086 ( 8.189 -1.510 -2.504) 8.696 2.533 ( 7.920 5.846 3.305) 10.384 2.634 ( -0.761 0.256 8.736) 8.772 2.714 ( -6.854 1.089 -4.276) 8.151 2.846 ( 4.534 -1.280 2.448) 5.310 3.119 ( -5.049 8.260 3.231) 10.206 3.313 ( 3.708 -0.287 -5.200) 6.393 3.627 ( -0.174 -5.971 5.329) 8.005 3.803 ( -0.627 -4.425 -0.535) 4.501 4.004 ( -4.873 11.098 6.427) 13.719 4.253 ( 3.827 4.157 -5.516) 7.897 4.287 ( 0.361 3.968 2.323) 4.612 4.438 ( 1.726 3.132 -3.815) 5.230 4.685 ( -1.473 -0.823 5.549) 5.800 4.735 ( -5.774 -5.599 7.465) 10.973 4.937 ( -0.416 10.661 7.352) 12.956 5.143 ( 11.638 0.922 -1.391) 11.757 5.198 ( -3.868 1.935 5.759) 7.202 5.395 ( -2.846 1.788 -3.948) 5.185 5.424 ( 4.488 0.463 1.920) 4.903 5.560 ( -4.321 -0.040 -3.166) 5.357 5.824 ( 3.507 -4.035 -0.122) 5.347 6.018 ( 4.413 -8.588 -4.944) 10.848 6.311 ( 0.302 9.007 8.228) 12.203 6.537 ( -2.952 6.673 -0.407) 7.308 6.979 ( 6.876 2.116 7.196) 10.176 7.143 ( -2.809 -0.426 -1.268) 3.111 7.382 ( -1.469 -7.774 2.939) 8.440 7.634 ( 5.008 -8.315 -9.527) 13.600 8.724 ( -6.558 4.220 12.464) 14.702 9.043 ( -2.115 -1.328 0.761) 2.611 9.284 ( 3.600 4.356 -16.842) 17.765 9.354 ( 3.759 8.327 -15.064) 17.618 9.768 ( -2.670 10.530 2.263) 11.097 9.951 ( -3.988 10.969 -7.803) 14.039 10.400 ( -5.414 -6.778 6.755) 10.995 10.663 ( 2.774 -7.424 -7.321) 10.790 11.124 ( -4.043 -1.329 -2.122) 4.756 11.150 ( 6.734 -1.546 -0.448) 6.924 11.268 ( 0.262 -1.803 -2.220) 2.872 11.337 ( 1.496 -3.698 -6.204) 7.376 12.270 ( 2.764 1.729 1.126) 3.449 12.296 ( -3.722 1.464 -0.249) 4.008 12.798 ( 0.803 -2.844 4.946) 5.762 12.911 ( 2.171 -7.165 0.583) 7.509 13.435 ( -3.618 -3.585 8.531) 9.936 13.557 ( 2.561 -5.264 2.178) 6.246 13.994 ( -4.552 1.135 2.983) 5.560 14.043 ( -3.381 -0.241 0.869) 3.499 21.004 ( 0.290 1.980 2.408) 3.131 21.200 ( -1.297 -3.045 -6.509) 7.302 21.804 ( -0.380 1.545 2.971) 3.370 21.922 ( -1.918 -2.499 -2.788) 4.206 22.114 ( -0.298 -0.098 4.112) 4.124 22.334 ( -2.564 -2.256 -7.460) 8.205 22.939 ( -2.055 0.303 2.913) 3.578 23.071 ( 3.070 -3.722 -1.836) 5.162 23.154 ( -5.647 11.617 3.708) 13.438 23.336 ( 7.364 5.904 -4.651) 10.522 23.536 ( -1.067 1.946 -0.394) 2.254 23.554 ( 1.929 -0.668 -1.954) 2.826 23.738 ( -1.179 4.200 3.382) 5.520 23.966 ( -1.949 9.394 -5.480) 11.049 24.173 ( -3.889 -6.668 10.747) 13.232 24.440 ( 8.991 -2.223 -3.379) 9.859 ======================= Grid point 208 (112/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 14.826 4.846 -0.751) 15.616 1.226 ( 22.411 7.892 1.448) 23.804 1.494 ( 0.592 0.365 4.677) 4.729 1.634 ( 4.191 1.617 -1.874) 4.868 1.766 ( -1.443 -1.942 -4.291) 4.926 1.924 ( 3.196 -3.457 2.800) 5.478 1.939 ( 0.942 -4.924 -1.189) 5.152 2.160 ( 5.297 -3.460 -4.801) 7.942 2.524 ( -0.520 -2.446 -6.399) 6.870 2.634 ( -3.416 0.250 2.607) 4.305 2.858 ( 13.702 5.180 3.957) 15.174 2.954 ( 6.644 -0.337 -1.008) 6.728 3.166 ( 5.519 6.196 3.977) 9.202 3.348 ( 6.346 2.805 -4.495) 8.267 3.703 ( -0.110 -1.062 4.600) 4.722 3.751 ( -1.434 -5.359 -2.748) 6.191 3.986 ( -5.097 4.853 6.239) 9.405 4.208 ( -9.126 1.784 1.592) 9.434 4.263 ( 4.152 4.532 -6.361) 8.845 4.412 ( 0.782 7.578 -2.325) 7.966 4.784 ( 1.611 -3.933 6.689) 7.925 4.789 ( 0.221 -1.273 6.506) 6.633 4.977 ( -0.342 7.461 -1.958) 7.721 5.197 ( 0.340 2.768 2.806) 3.956 5.294 ( 9.365 4.385 -4.994) 11.484 5.391 ( 6.447 1.895 -0.509) 6.739 5.493 ( 3.980 1.406 -2.839) 5.087 5.611 ( 10.647 0.528 1.800) 10.811 5.869 ( 1.566 -4.482 -0.582) 4.784 6.033 ( 7.153 -4.777 -6.314) 10.670 6.405 ( -0.447 6.443 4.276) 7.746 6.555 ( 6.097 6.607 0.353) 8.997 7.038 ( -5.660 -1.429 -4.020) 7.088 7.163 ( 6.600 0.554 3.943) 7.708 7.384 ( -1.540 -7.161 2.633) 7.784 7.622 ( 6.663 -6.262 -9.206) 12.975 8.791 ( -4.766 2.191 14.375) 15.302 9.004 ( -6.029 -1.062 3.243) 6.928 9.180 ( 6.500 6.500 -11.954) 15.079 9.236 ( 1.447 7.744 -11.417) 13.871 9.793 ( -0.610 9.408 6.343) 11.363 9.854 ( -0.672 11.129 -2.457) 11.417 10.332 ( -12.299 -5.890 6.016) 14.905 10.620 ( -0.075 -9.884 -2.818) 10.278 11.015 ( -6.941 0.199 -0.633) 6.973 11.173 ( -2.812 -2.407 0.681) 3.763 11.236 ( 2.595 -1.677 -6.114) 6.850 11.324 ( 2.659 -2.723 -1.958) 4.280 12.214 ( -4.416 2.035 -0.865) 4.939 12.299 ( -1.638 0.359 2.281) 2.831 12.785 ( -7.313 -3.912 2.639) 8.703 12.812 ( -10.998 -4.737 -1.736) 12.099 13.549 ( 6.753 -3.543 3.313) 8.315 13.670 ( 9.254 -5.155 -1.094) 10.650 14.052 ( 5.510 0.948 4.147) 6.961 14.122 ( 7.919 -0.313 3.725) 8.757 21.033 ( -2.051 0.185 2.780) 3.460 21.110 ( -0.606 -0.761 -3.342) 3.481 21.824 ( -2.631 0.032 2.313) 3.503 21.863 ( -1.150 0.176 -0.311) 1.204 22.162 ( -1.551 -1.261 4.344) 4.781 22.214 ( -2.746 -1.472 -2.996) 4.323 22.910 ( -2.066 3.697 0.417) 4.256 23.082 ( -6.051 6.606 4.062) 9.836 23.186 ( 9.654 -3.097 -1.508) 10.250 23.381 ( 4.542 1.386 -5.493) 7.261 23.550 ( 2.203 2.204 -0.744) 3.204 23.569 ( 3.099 2.780 -0.557) 4.200 23.780 ( -1.742 5.384 3.061) 6.434 23.922 ( 4.287 10.005 -1.535) 10.992 24.064 ( -14.536 -2.774 3.072) 15.114 24.639 ( 15.820 -7.343 -4.300) 17.963 ======================= Grid point 209 (113/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 11.994 3.175 1.889) 12.550 1.527 ( 0.904 1.335 3.238) 3.617 1.586 ( 9.038 5.732 3.663) 11.312 1.697 ( 8.530 -1.370 -3.040) 9.159 1.830 ( 7.754 3.100 3.640) 9.110 1.972 ( 2.737 -1.271 0.061) 3.019 1.997 ( 7.129 -7.966 0.480) 10.701 2.181 ( 3.085 -1.367 -1.737) 3.796 2.520 ( 6.232 -0.722 -4.234) 7.569 2.606 ( 2.222 -5.082 -2.043) 5.911 3.016 ( 4.539 0.292 -2.640) 5.259 3.123 ( 13.660 4.700 -0.093) 14.446 3.321 ( 4.945 6.459 2.846) 8.619 3.386 ( 4.428 4.962 -3.039) 7.312 3.624 ( -4.255 -0.821 -5.220) 6.785 3.768 ( -0.752 2.251 2.753) 3.635 4.006 ( -3.964 -1.105 4.660) 6.217 4.094 ( -2.655 -5.978 0.506) 6.560 4.247 ( 4.551 10.009 -7.764) 13.460 4.431 ( 2.961 6.776 -0.039) 7.395 4.698 ( -8.675 1.172 -1.658) 8.910 4.909 ( 1.006 -4.497 -0.301) 4.618 5.008 ( 8.222 3.729 0.356) 9.035 5.247 ( 1.459 1.264 -0.158) 1.937 5.375 ( 7.629 5.820 -3.690) 10.281 5.503 ( 9.258 3.845 -0.624) 10.044 5.627 ( 11.049 -0.294 -1.370) 11.138 5.779 ( 8.877 1.885 -0.905) 9.120 5.882 ( 2.595 -6.009 -1.901) 6.816 6.110 ( 9.225 -2.210 -2.640) 9.847 6.432 ( 2.723 5.224 -2.604) 6.441 6.676 ( 5.222 4.232 1.793) 6.957 6.875 ( -5.449 1.489 -6.197) 8.385 7.248 ( 3.849 3.103 -5.252) 7.213 7.442 ( 1.246 -9.474 7.538) 12.171 7.623 ( 6.261 -5.524 -7.592) 11.285 8.907 ( -2.331 -1.519 5.634) 6.284 8.930 ( -5.908 -0.745 8.526) 10.400 9.093 ( -4.512 5.731 -5.291) 9.010 9.238 ( 7.725 5.571 -0.669) 9.548 9.825 ( -1.290 9.387 0.886) 9.516 9.890 ( -1.441 9.357 8.498) 12.722 10.201 ( -11.913 -3.135 7.466) 14.404 10.556 ( -6.160 -7.287 -0.164) 9.544 10.917 ( -1.809 2.620 -0.610) 3.242 11.135 ( -1.049 -2.538 -0.862) 2.879 11.239 ( 2.549 -2.612 -0.133) 3.652 11.330 ( 0.981 -3.819 -1.683) 4.287 12.141 ( -3.490 0.832 -0.648) 3.646 12.293 ( -1.832 -0.335 2.159) 2.851 12.574 ( -13.475 -2.123 -2.259) 13.827 12.662 ( -8.636 -3.834 0.231) 9.451 13.702 ( 9.172 -2.414 -0.626) 9.505 13.817 ( 10.562 -5.126 -2.051) 11.918 14.223 ( 7.519 1.137 4.739) 8.960 14.330 ( 9.126 -0.374 4.648) 10.248 20.995 ( -1.851 1.143 -1.085) 2.431 21.106 ( -1.742 -2.595 2.909) 4.269 21.790 ( -2.110 0.622 0.779) 2.333 21.862 ( -3.250 -1.198 3.629) 5.017 22.118 ( -1.999 2.001 -0.733) 2.922 22.236 ( -0.292 -0.078 5.526) 5.535 22.888 ( -0.937 7.673 -1.155) 7.816 23.052 ( -2.580 6.174 3.602) 7.599 23.324 ( 8.052 -9.117 -3.430) 12.639 23.370 ( 1.409 -1.835 -1.762) 2.908 23.573 ( 0.605 1.997 0.603) 2.172 23.611 ( 4.514 7.077 -6.872) 10.848 23.756 ( -1.721 2.303 1.346) 3.174 23.845 ( -9.745 0.071 -2.039) 9.957 24.063 ( 6.972 10.053 5.773) 13.528 24.810 ( 12.349 -7.886 -5.936) 15.809 ======================= Grid point 210 (114/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 2.954 3.355 -6.183) 7.629 1.681 ( 1.865 3.326 1.188) 3.994 1.708 ( -0.307 0.788 4.195) 4.280 1.812 ( 7.329 0.535 5.293) 9.056 1.958 ( -0.187 -4.990 0.322) 5.004 1.979 ( 9.282 4.716 -2.073) 10.616 2.216 ( 1.983 -2.284 0.128) 3.028 2.248 ( 8.911 -6.558 6.623) 12.895 2.503 ( -1.461 8.994 -0.332) 9.118 2.736 ( 12.472 -8.510 -3.127) 15.420 3.053 ( 2.243 -0.382 0.411) 2.312 3.266 ( 5.997 1.776 -3.186) 7.019 3.373 ( -0.948 5.906 2.166) 6.361 3.441 ( 7.096 9.365 -4.628) 12.629 3.493 ( -4.935 -1.017 -2.468) 5.611 3.787 ( 2.895 2.152 -3.194) 4.818 3.959 ( -3.311 -1.665 0.992) 3.837 4.068 ( 1.183 -6.628 -5.071) 8.429 4.266 ( 4.459 9.248 -1.690) 10.405 4.486 ( 1.280 7.067 1.123) 7.269 4.575 ( -0.125 1.913 -4.470) 4.864 4.833 ( -4.275 -2.576 -5.447) 7.388 5.112 ( 3.367 2.240 -4.538) 6.078 5.276 ( 1.045 0.829 4.078) 4.291 5.439 ( 7.257 7.137 -4.695) 11.210 5.678 ( 7.053 0.802 3.795) 8.049 5.749 ( 8.631 0.081 -4.636) 9.798 5.892 ( 6.554 1.866 -1.001) 6.887 5.932 ( 4.576 -9.448 0.953) 10.541 6.246 ( 9.991 -3.169 -3.878) 11.176 6.421 ( 2.387 3.258 -5.307) 6.669 6.667 ( -3.127 -0.612 -7.419) 8.074 6.812 ( 2.458 10.050 1.321) 10.431 7.205 ( 0.781 1.504 -7.361) 7.554 7.541 ( 2.944 -5.427 1.842) 6.443 7.656 ( 4.659 -5.704 -1.810) 7.584 8.827 ( -5.122 -1.233 -0.242) 5.273 8.864 ( -11.209 0.223 -0.785) 11.239 9.142 ( 2.577 0.665 12.537) 12.817 9.386 ( 6.303 1.064 4.668) 7.915 9.810 ( -1.882 9.332 1.125) 9.586 9.931 ( -4.606 9.641 6.633) 12.576 10.136 ( -8.952 0.848 9.154) 12.832 10.427 ( -7.258 -3.818 -1.100) 8.274 10.978 ( 5.607 1.497 3.750) 6.910 11.124 ( 2.883 -1.695 -2.894) 4.423 11.299 ( 0.927 -2.733 3.566) 4.587 11.344 ( 3.373 -5.961 -0.250) 6.854 12.071 ( -4.558 0.197 -0.183) 4.566 12.291 ( -2.496 -2.351 1.698) 3.826 12.346 ( -8.403 1.418 -3.377) 9.166 12.529 ( -6.362 -2.679 -0.856) 6.956 13.825 ( 6.620 -2.207 -0.812) 7.026 13.954 ( 8.818 -5.256 -2.532) 10.573 14.396 ( 5.165 1.441 5.862) 7.945 14.503 ( 4.768 -0.175 4.194) 6.352 20.972 ( 0.148 1.394 -0.214) 1.418 21.094 ( -3.724 -2.925 2.516) 5.363 21.779 ( -1.608 -1.022 1.876) 2.674 21.834 ( -4.403 -1.665 2.493) 5.326 22.122 ( 1.179 5.642 2.714) 6.371 22.312 ( 0.021 2.479 7.307) 7.716 22.833 ( -2.459 8.668 -3.270) 9.585 23.080 ( 0.216 7.776 2.727) 8.243 23.284 ( -1.382 -6.617 -6.604) 9.450 23.442 ( 3.975 -4.065 0.334) 5.696 23.481 ( -1.060 5.358 -11.499) 12.730 23.598 ( 0.727 2.773 -2.080) 3.542 23.725 ( -1.067 1.341 1.793) 2.480 23.824 ( 1.847 -1.009 2.769) 3.479 24.258 ( 5.498 7.227 8.222) 12.250 24.901 ( 8.968 -7.343 -7.789) 13.964 ======================= Grid point 211 (115/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.957 2.034 -2.581) 4.421 1.639 ( -3.673 0.820 -6.235) 7.282 1.682 ( -3.475 4.674 2.272) 6.252 1.910 ( -0.103 -2.943 -0.920) 3.085 2.046 ( 5.077 -0.808 5.032) 7.194 2.114 ( 6.798 4.631 1.722) 8.404 2.227 ( -1.988 -3.730 0.825) 4.307 2.333 ( 0.235 0.301 -0.834) 0.918 2.562 ( 1.379 5.699 6.918) 9.069 2.848 ( 4.394 -5.385 -1.725) 7.161 3.097 ( -0.636 -1.268 3.297) 3.589 3.291 ( 2.395 1.669 -4.482) 5.348 3.365 ( -3.353 2.446 1.627) 4.458 3.386 ( -0.127 3.686 -4.405) 5.745 3.498 ( 3.743 3.805 -2.496) 5.893 3.762 ( 1.844 1.664 -6.667) 7.114 3.948 ( -0.352 -1.336 2.467) 2.827 4.068 ( 4.363 -2.663 -2.670) 5.766 4.299 ( 1.441 7.544 -1.530) 7.831 4.463 ( -5.158 4.983 0.313) 7.179 4.560 ( 1.812 -0.784 -4.298) 4.730 4.681 ( -3.634 2.745 -5.701) 7.297 5.077 ( 0.418 4.107 -2.455) 4.803 5.303 ( -4.379 3.136 4.937) 7.307 5.526 ( 9.169 3.024 -6.219) 11.484 5.766 ( 1.607 -0.830 -0.670) 1.929 5.817 ( 2.952 -2.571 0.346) 3.930 5.991 ( 5.280 2.971 0.061) 6.059 6.028 ( 2.004 -9.183 4.025) 10.225 6.277 ( 3.281 -4.330 -8.051) 9.713 6.414 ( 3.042 1.472 -4.547) 5.666 6.523 ( -2.629 -0.621 -7.034) 7.535 6.871 ( 3.803 9.026 0.098) 9.795 7.084 ( -3.933 0.019 -7.503) 8.471 7.606 ( 0.724 -1.247 2.476) 2.865 7.702 ( 4.394 -3.418 -2.577) 6.135 8.661 ( -13.984 0.521 4.376) 14.662 8.770 ( 0.112 -3.355 -2.539) 4.209 9.346 ( 2.691 -0.717 11.818) 12.141 9.549 ( 6.540 -1.725 4.311) 8.021 9.811 ( 0.671 9.379 1.727) 9.560 9.919 ( -2.657 10.129 1.604) 10.594 10.128 ( -3.738 2.884 7.030) 8.468 10.321 ( -2.185 -1.556 -2.704) 3.809 11.096 ( -1.339 -0.919 6.389) 6.593 11.185 ( 8.010 -0.631 -1.804) 8.235 11.339 ( -1.040 -2.005 2.669) 3.496 11.427 ( 7.132 -5.821 -1.867) 9.393 12.003 ( -3.976 0.992 2.323) 4.711 12.191 ( -7.380 -1.569 2.680) 8.007 12.263 ( -2.131 0.995 -3.520) 4.234 12.454 ( -0.512 -2.568 -2.037) 3.317 13.896 ( 1.598 -2.497 0.918) 3.103 14.026 ( 3.908 -5.100 -3.290) 7.218 14.524 ( 0.162 1.550 6.513) 6.697 14.594 ( 1.517 -0.903 3.144) 3.606 20.995 ( 2.013 0.747 1.004) 2.370 21.055 ( -3.230 -1.192 1.078) 3.607 21.775 ( -2.884 -2.486 2.915) 4.795 21.792 ( -1.625 -1.845 -0.021) 2.459 22.219 ( 3.445 7.905 6.454) 10.771 22.416 ( 0.105 4.334 9.171) 10.144 22.726 ( -3.257 9.502 -6.218) 11.814 23.058 ( -2.808 9.048 -5.479) 10.943 23.196 ( 0.559 -3.220 -2.775) 4.287 23.353 ( 1.124 3.861 -9.681) 10.483 23.493 ( 2.132 -0.719 -0.090) 2.252 23.570 ( -0.358 0.969 -1.833) 2.104 23.772 ( 0.538 -1.762 4.537) 4.897 23.876 ( 0.846 -1.904 1.450) 2.539 24.426 ( 0.943 3.402 9.633) 10.260 24.915 ( 5.599 -6.888 -9.492) 12.996 ======================= Grid point 212 (116/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -5.702 4.893 -1.807) 7.728 1.500 ( -2.669 0.562 -0.122) 2.731 1.668 ( -1.284 3.507 1.794) 4.143 1.859 ( -2.301 -1.319 -2.705) 3.788 2.147 ( -0.184 -1.306 3.118) 3.385 2.196 ( -0.951 -3.546 -0.419) 3.695 2.224 ( 4.070 3.854 1.668) 5.848 2.312 ( 0.642 3.628 -3.842) 5.323 2.643 ( -4.078 3.708 9.122) 10.658 2.841 ( -2.830 -1.304 -1.508) 3.461 3.095 ( -4.180 -1.920 2.912) 5.444 3.192 ( -5.370 2.859 -5.426) 8.152 3.301 ( -3.564 3.199 -2.240) 5.287 3.402 ( 2.044 2.744 2.159) 4.046 3.528 ( 2.398 -1.419 -0.796) 2.897 3.700 ( 0.632 2.369 -6.464) 6.913 3.998 ( 1.328 1.736 2.582) 3.383 4.077 ( 0.104 1.252 -3.846) 4.046 4.300 ( -11.759 -0.431 0.478) 11.777 4.324 ( -0.249 3.702 4.643) 5.944 4.539 ( 0.599 -2.842 -2.673) 3.947 4.588 ( 0.343 6.134 -5.177) 8.034 5.103 ( 0.453 7.314 4.946) 8.841 5.276 ( -1.052 7.736 -3.075) 8.391 5.530 ( -3.023 -2.798 -0.228) 4.126 5.745 ( 1.806 -4.004 -8.379) 9.460 5.835 ( -5.205 -1.315 5.491) 7.680 6.064 ( 0.325 -7.090 0.521) 7.116 6.088 ( 3.586 2.734 4.702) 6.515 6.175 ( -3.410 0.060 -7.550) 8.285 6.356 ( -10.484 -0.787 -4.928) 11.611 6.410 ( 1.445 -6.806 -2.278) 7.322 6.935 ( -3.346 2.461 -4.595) 6.194 6.958 ( 7.216 5.323 -1.673) 9.122 7.565 ( -8.362 0.386 2.471) 8.728 7.768 ( 6.918 -1.558 -3.532) 7.922 8.542 ( -8.763 -0.612 7.475) 11.535 8.788 ( 4.417 -5.579 -0.560) 7.138 9.490 ( 0.584 0.775 6.840) 6.908 9.690 ( 6.616 -1.484 -0.802) 6.828 9.884 ( 4.514 9.731 1.613) 10.847 9.909 ( 3.628 9.342 -2.142) 10.248 10.182 ( 1.961 2.123 4.006) 4.940 10.305 ( 5.215 -1.141 -3.408) 6.334 11.107 ( -4.170 0.558 2.544) 4.917 11.235 ( -6.076 -1.987 3.582) 7.328 11.342 ( 5.128 -1.268 -4.086) 6.678 11.519 ( 8.157 -3.575 -4.831) 10.132 12.010 ( -2.315 0.885 5.449) 5.986 12.159 ( 0.516 2.528 -2.829) 3.829 12.192 ( -4.790 -2.774 8.335) 10.006 12.441 ( 3.334 -3.656 -4.584) 6.745 13.891 ( -4.897 -3.149 2.562) 6.361 13.997 ( -2.358 -5.041 -3.517) 6.584 14.535 ( -6.985 2.330 5.180) 9.003 14.647 ( 0.055 -2.791 2.100) 3.493 21.010 ( -2.033 1.068 0.485) 2.347 21.074 ( 4.989 -0.803 0.650) 5.095 21.749 ( -2.882 -1.588 2.227) 3.973 21.800 ( 1.265 -3.565 0.625) 3.834 22.383 ( 4.751 8.038 8.038) 12.320 22.504 ( -0.855 4.625 0.001) 4.704 22.623 ( -1.621 11.767 3.633) 12.421 22.918 ( 0.136 6.931 -11.424) 13.363 23.190 ( -1.055 1.198 0.534) 1.683 23.262 ( -0.507 2.402 -6.205) 6.673 23.505 ( -1.185 1.936 0.496) 2.323 23.559 ( 1.765 0.037 -1.493) 2.312 23.822 ( -1.510 -3.808 3.597) 5.451 23.891 ( 0.470 -2.528 -0.089) 2.573 24.520 ( -4.136 0.962 10.087) 10.944 24.849 ( 1.683 -6.365 -11.330) 13.104 ======================= Grid point 213 (117/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.415 9.000 -0.469) 11.671 1.497 ( -8.628 4.427 11.696) 15.193 1.677 ( 1.843 -2.477 -1.648) 3.500 1.804 ( -1.231 -0.509 -0.725) 1.517 2.089 ( -5.424 -1.364 -3.566) 6.633 2.147 ( -5.254 1.614 -1.406) 5.673 2.264 ( -0.806 1.672 -4.502) 4.870 2.330 ( 5.614 0.566 2.688) 6.250 2.602 ( -13.148 1.793 5.628) 14.414 2.720 ( -5.749 3.649 -7.733) 10.304 3.048 ( -6.815 1.789 6.043) 9.283 3.052 ( -8.649 3.304 3.576) 9.925 3.187 ( -8.227 3.244 -0.077) 8.844 3.481 ( 4.931 2.033 0.386) 5.347 3.562 ( 0.084 -4.082 3.689) 5.503 3.638 ( 2.139 2.452 -6.335) 7.122 3.973 ( -2.336 3.222 -2.620) 4.764 4.010 ( -4.624 -0.372 -3.334) 5.713 4.206 ( -1.552 3.019 5.816) 6.734 4.342 ( -5.566 6.761 5.250) 10.211 4.561 ( 2.467 -4.958 1.035) 5.634 4.576 ( 1.970 0.417 1.552) 2.542 5.109 ( -5.953 9.461 -3.579) 11.737 5.214 ( -1.518 4.872 1.073) 5.214 5.484 ( -6.408 -2.141 6.111) 9.110 5.604 ( -2.220 -3.759 -11.461) 12.264 5.774 ( -9.875 -0.384 3.526) 10.493 6.009 ( -5.271 -0.717 -4.504) 6.971 6.052 ( -7.658 -2.530 -2.852) 8.555 6.099 ( -7.084 -4.383 0.527) 8.347 6.251 ( 4.282 -0.547 8.556) 9.583 6.379 ( -2.804 -6.115 -1.077) 6.813 6.853 ( -2.606 6.362 -1.776) 7.101 7.052 ( 5.699 1.608 -1.389) 6.082 7.447 ( -8.044 0.154 2.040) 8.300 7.809 ( 3.798 -3.743 -4.446) 6.943 8.545 ( -4.242 -1.599 9.453) 10.484 8.883 ( 5.027 -7.972 2.233) 9.685 9.552 ( 2.399 4.473 0.134) 5.077 9.697 ( 2.110 3.403 -9.243) 10.073 9.928 ( 6.791 7.598 -7.643) 12.739 10.034 ( 8.053 9.584 1.311) 12.587 10.305 ( 7.066 -2.053 4.346) 8.546 10.403 ( 11.087 -0.811 -3.993) 11.812 11.013 ( -5.728 3.225 -2.295) 6.963 11.180 ( -2.792 -3.422 2.143) 4.909 11.346 ( 1.627 -1.768 -7.038) 7.437 11.549 ( 2.217 -4.233 -4.692) 6.697 12.046 ( -2.961 3.036 8.026) 9.078 12.135 ( 3.433 2.977 -1.697) 4.851 12.330 ( 3.596 -3.556 10.452) 11.611 12.450 ( 5.020 -4.300 -4.755) 8.142 13.799 ( -10.863 -3.957 4.007) 12.236 13.867 ( -8.392 -5.519 -2.649) 10.388 14.440 ( -10.823 2.812 3.753) 11.795 14.616 ( -5.870 -3.662 0.116) 6.920 20.987 ( -0.304 2.922 -0.937) 3.084 21.179 ( 6.765 -3.465 -0.334) 7.608 21.745 ( -1.160 -1.284 2.433) 2.985 21.842 ( 1.748 -4.345 1.959) 5.077 22.358 ( -3.025 6.161 -8.648) 11.040 22.596 ( 6.985 7.992 4.786) 11.643 22.707 ( -1.365 7.218 0.088) 7.347 22.878 ( 7.628 9.107 5.339) 13.024 23.157 ( -3.106 2.053 -0.266) 3.732 23.191 ( -2.064 0.825 -1.391) 2.623 23.477 ( -1.991 2.007 -0.453) 2.863 23.580 ( 2.102 0.527 -0.834) 2.322 23.797 ( -3.556 -3.208 -0.031) 4.790 23.899 ( 0.296 -3.486 -0.311) 3.513 24.544 ( -7.749 -0.342 9.953) 12.619 24.682 ( -3.611 -3.785 -13.398) 14.383 ======================= Grid point 214 (118/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -9.068 10.982 4.087) 14.817 1.496 ( -11.223 6.671 14.201) 19.291 1.674 ( 0.518 -3.565 -3.593) 5.088 1.779 ( -2.160 -1.945 -0.538) 2.956 1.903 ( -8.655 1.763 -5.649) 10.485 2.031 ( -4.616 2.832 -0.940) 5.496 2.132 ( -8.577 -1.682 -4.614) 9.884 2.361 ( -9.981 -6.152 -5.572) 12.982 2.461 ( -5.032 0.883 -2.030) 5.498 2.521 ( 0.525 7.920 0.826) 7.980 2.893 ( -13.111 3.017 0.427) 13.461 3.022 ( -8.061 2.302 4.230) 9.390 3.124 ( -5.082 6.696 10.123) 13.158 3.522 ( -0.195 1.226 -4.280) 4.457 3.612 ( 3.144 -1.129 -5.697) 6.604 3.635 ( 0.333 -4.351 8.058) 9.164 3.920 ( -1.705 5.188 2.973) 6.218 3.988 ( 4.255 0.987 3.227) 5.430 4.248 ( 0.243 4.879 -1.183) 5.026 4.402 ( 4.306 7.715 10.156) 13.461 4.580 ( 0.253 0.913 -1.994) 2.207 4.652 ( -1.215 -6.417 6.214) 9.015 4.931 ( -9.956 5.546 -1.207) 11.461 5.141 ( -8.189 2.046 2.893) 8.923 5.423 ( -6.279 -2.743 -1.550) 7.025 5.510 ( -1.047 1.496 1.592) 2.423 5.589 ( -11.784 -1.905 -2.293) 12.155 5.848 ( -6.301 -3.297 -1.604) 7.291 5.917 ( -4.146 -1.396 -2.990) 5.299 6.025 ( -8.262 -7.028 0.820) 10.878 6.286 ( -2.791 1.095 0.545) 3.047 6.469 ( 3.391 -0.793 11.235) 11.763 6.784 ( -3.595 8.518 -0.774) 9.278 7.113 ( 3.208 1.934 -0.180) 3.750 7.373 ( -4.471 -4.711 2.909) 7.117 7.784 ( 1.375 -6.854 -6.523) 9.561 8.609 ( -3.355 -0.562 10.243) 10.793 8.988 ( 3.198 -8.306 3.113) 9.429 9.565 ( 5.008 7.097 -9.181) 12.639 9.581 ( 1.821 5.299 -13.311) 14.442 9.893 ( 0.524 8.177 -7.420) 11.054 10.158 ( 6.220 8.767 -1.649) 10.876 10.459 ( 5.245 -5.671 -2.602) 8.151 10.546 ( 11.878 -1.170 -2.880) 12.278 10.924 ( -0.025 5.183 -3.144) 6.062 11.171 ( 2.709 -1.476 -4.220) 5.228 11.285 ( 0.843 -2.643 -1.267) 3.049 11.480 ( -1.694 -6.257 -6.456) 9.149 12.103 ( 0.793 3.430 4.417) 5.648 12.238 ( 4.469 1.851 4.449) 6.573 12.504 ( 6.912 -3.742 -0.999) 7.924 12.530 ( 7.068 -3.568 7.342) 10.797 13.645 ( -15.129 -4.686 6.101) 16.973 13.682 ( -10.284 -5.273 -0.203) 11.559 14.280 ( -12.895 2.696 2.537) 13.416 14.454 ( -12.607 -3.069 -1.045) 13.018 20.976 ( 0.666 3.759 -1.277) 4.026 21.266 ( 5.706 -5.895 -3.071) 8.760 21.764 ( -0.506 -0.332 2.342) 2.419 21.902 ( 1.444 -5.394 3.239) 6.455 22.207 ( -2.375 6.195 -7.769) 10.216 22.590 ( 1.510 2.476 -11.736) 12.089 22.777 ( 4.123 10.016 6.029) 12.396 23.099 ( -2.788 1.079 3.553) 4.644 23.140 ( -3.014 1.532 1.536) 3.713 23.237 ( 13.852 1.609 10.682) 17.566 23.432 ( -1.502 3.408 -1.721) 4.103 23.607 ( 2.136 -0.893 -0.482) 2.365 23.732 ( -2.968 -0.687 0.218) 3.054 23.876 ( -0.878 -2.992 -2.816) 4.202 24.397 ( -9.411 3.585 -12.256) 15.863 24.527 ( -8.890 -0.944 8.054) 12.033 ======================= Grid point 215 (119/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -15.258 10.094 6.070) 19.276 1.448 ( -9.094 6.427 4.840) 12.142 1.510 ( -10.350 2.104 -7.719) 13.082 1.675 ( -3.239 1.324 -4.737) 5.889 1.813 ( -3.906 -3.805 1.134) 5.569 1.926 ( -2.280 -1.096 -1.912) 3.171 2.022 ( 1.176 -2.524 -0.952) 2.943 2.122 ( -5.337 -4.690 -6.668) 9.744 2.392 ( 1.645 5.497 0.662) 5.776 2.605 ( 0.377 1.275 1.239) 1.817 2.760 ( -4.496 0.290 7.239) 8.526 2.892 ( -9.943 2.184 -0.254) 10.183 3.165 ( -4.681 9.515 6.468) 12.421 3.388 ( -4.657 -0.996 -5.743) 7.460 3.597 ( 0.037 -5.421 -0.222) 5.425 3.754 ( 1.630 -3.353 6.518) 7.509 3.976 ( -1.802 10.895 7.288) 13.231 4.158 ( 8.657 3.545 2.792) 9.763 4.245 ( 4.111 1.888 -3.813) 5.917 4.495 ( -0.783 1.325 -7.400) 7.558 4.655 ( 3.697 1.563 11.023) 11.731 4.739 ( -3.486 -7.655 9.767) 12.890 4.770 ( -2.158 10.368 2.993) 11.005 5.120 ( -3.149 1.961 5.335) 6.498 5.227 ( -11.819 -2.626 -1.386) 12.186 5.420 ( -3.057 0.445 -2.380) 3.900 5.504 ( -4.184 0.373 0.612) 4.245 5.719 ( -10.437 -4.329 -3.525) 11.836 5.796 ( 0.810 -1.984 -1.823) 2.814 5.980 ( 0.631 -5.583 2.020) 5.970 6.266 ( -3.030 7.563 3.632) 8.921 6.592 ( -3.765 1.073 4.487) 5.955 6.789 ( 4.214 7.427 5.432) 10.120 7.158 ( 1.815 2.224 -0.138) 2.874 7.362 ( -2.171 -8.960 3.922) 10.019 7.703 ( 1.059 -8.764 -8.863) 12.509 8.675 ( -4.745 2.276 11.146) 12.326 9.048 ( 0.891 -4.871 0.764) 5.011 9.441 ( 2.905 4.555 -16.133) 17.014 9.481 ( 4.243 7.998 -15.747) 18.164 9.810 ( -2.985 9.552 -1.326) 10.095 10.140 ( -2.047 9.818 -9.377) 13.730 10.412 ( -3.201 -6.246 -0.429) 7.032 10.661 ( 7.516 -2.787 -5.413) 9.673 10.995 ( 9.795 2.485 0.121) 10.106 11.183 ( 3.519 -0.683 -4.781) 5.976 11.301 ( -0.804 -3.831 -0.673) 3.972 11.378 ( 1.400 -5.883 -6.506) 8.882 12.186 ( 4.640 2.875 1.489) 5.658 12.320 ( 0.218 0.562 1.803) 1.901 12.656 ( 7.761 -2.403 4.246) 9.168 12.750 ( 9.241 -5.857 5.763) 12.366 13.482 ( -13.653 -3.857 8.236) 16.404 13.557 ( -6.243 -5.108 2.657) 8.492 14.100 ( -11.099 1.733 1.828) 11.382 14.208 ( -14.406 -1.433 -0.470) 14.485 20.980 ( 0.812 3.428 -0.006) 3.523 21.276 ( 1.913 -5.904 -5.726) 8.444 21.781 ( -0.499 1.516 1.997) 2.556 21.953 ( 0.152 -6.409 1.480) 6.579 22.107 ( -1.283 4.813 -2.503) 5.575 22.466 ( 0.229 -0.316 -10.611) 10.618 22.890 ( 2.691 5.984 2.881) 7.165 23.097 ( -3.964 -2.080 1.626) 4.763 23.132 ( 0.606 4.506 4.962) 6.730 23.348 ( -1.690 2.623 -3.673) 4.820 23.516 ( 5.488 1.587 0.171) 5.715 23.591 ( -1.592 -1.534 -3.097) 3.805 23.766 ( -2.723 -0.485 0.569) 2.824 23.903 ( 11.291 -1.354 7.602) 13.678 24.125 ( -6.549 10.400 -7.610) 14.456 24.465 ( -8.187 -1.176 5.051) 9.691 ======================= Grid point 216 (120/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.520 9.307 -2.812) 10.044 1.244 ( -0.880 -1.034 -8.987) 9.089 1.509 ( -6.848 2.895 4.301) 8.589 1.592 ( -5.893 -5.877 2.671) 8.741 1.721 ( 5.635 4.324 -2.893) 7.670 1.828 ( 3.369 -5.454 -4.239) 7.685 1.949 ( 0.563 0.751 -6.057) 6.129 2.013 ( 5.252 -4.682 -6.242) 9.406 2.613 ( -1.375 3.023 2.377) 4.084 2.652 ( 7.053 0.422 1.877) 7.311 2.754 ( -6.761 1.847 3.367) 7.776 2.799 ( 2.497 -2.600 2.567) 4.425 3.264 ( -4.699 4.778 0.883) 6.759 3.315 ( 1.595 -0.707 -1.923) 2.596 3.573 ( 0.490 2.181 5.856) 6.268 3.682 ( -1.118 -6.853 1.230) 7.051 4.211 ( -5.147 8.499 4.395) 10.865 4.313 ( -2.119 -1.059 2.016) 3.111 4.365 ( -0.056 5.410 -2.328) 5.890 4.440 ( 2.334 -1.999 -2.833) 4.179 4.623 ( -0.187 -2.966 6.968) 7.575 4.640 ( 1.878 -4.087 5.157) 6.842 5.117 ( 1.123 6.359 9.110) 11.167 5.199 ( -1.271 -1.808 5.003) 5.470 5.238 ( 4.885 7.724 -0.176) 9.140 5.379 ( 3.550 -4.876 2.515) 6.534 5.466 ( 0.077 3.902 -3.879) 5.503 5.533 ( -1.560 -2.672 -0.673) 3.166 5.787 ( 3.938 0.810 -2.650) 4.815 5.861 ( 4.617 -6.331 -3.899) 8.753 6.502 ( -2.576 9.129 7.846) 12.310 6.613 ( -2.716 -0.635 5.464) 6.135 7.054 ( 2.807 4.268 2.540) 5.705 7.130 ( -4.828 -2.275 -1.130) 5.456 7.272 ( 4.207 1.018 -0.654) 4.378 7.432 ( 5.955 -11.064 -7.902) 14.843 8.837 ( -5.820 6.630 11.038) 14.130 8.967 ( -4.700 -5.758 7.285) 10.407 9.391 ( 5.791 5.210 -17.175) 18.859 9.448 ( 5.971 0.508 -16.772) 17.811 10.003 ( -2.886 12.174 2.286) 12.718 10.187 ( -2.942 7.210 -6.693) 10.268 10.247 ( -3.528 -3.560 1.722) 5.299 10.468 ( -0.860 -11.890 -8.917) 14.887 11.129 ( -2.916 1.330 -2.262) 3.923 11.141 ( 2.415 0.398 -1.852) 3.069 11.226 ( 3.218 -1.376 -1.916) 3.990 11.257 ( 1.766 -3.749 -3.304) 5.300 12.303 ( 0.219 1.387 1.427) 2.002 12.316 ( -2.375 0.295 0.766) 2.513 12.755 ( 0.539 -0.802 3.828) 3.948 12.787 ( 0.959 -4.230 2.827) 5.177 13.417 ( -2.020 1.181 6.394) 6.809 13.467 ( 0.760 -3.619 3.993) 5.442 14.014 ( -3.678 0.916 1.780) 4.187 14.031 ( -3.278 -0.811 1.091) 3.548 21.059 ( 0.121 3.350 -0.357) 3.371 21.131 ( -0.042 -3.677 -3.528) 5.096 21.824 ( -1.440 0.940 2.603) 3.120 21.859 ( -1.749 -2.759 1.249) 3.497 22.182 ( -0.845 5.241 -1.153) 5.433 22.280 ( -2.167 -3.847 -5.421) 6.992 22.941 ( 0.390 1.214 -0.519) 1.377 22.994 ( 1.702 -3.694 -2.281) 4.663 23.343 ( -1.557 6.033 -1.479) 6.404 23.397 ( 4.191 0.188 -4.455) 6.119 23.549 ( 1.014 1.475 1.667) 2.446 23.575 ( -0.064 -0.070 -0.175) 0.199 23.839 ( -0.787 6.902 9.189) 11.520 24.003 ( -1.771 -8.284 11.652) 14.406 24.187 ( -0.450 9.717 -6.384) 11.635 24.354 ( 3.835 -6.450 -5.722) 9.437 ======================= Grid point 217 (121/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 11.119 4.942 -0.129) 12.168 1.326 ( 16.441 0.040 0.881) 16.465 1.528 ( 2.998 3.861 4.614) 6.722 1.608 ( 4.567 -3.193 -0.132) 5.574 1.797 ( 5.374 3.692 -2.720) 7.065 1.854 ( 4.391 -2.408 -2.051) 5.411 1.882 ( -0.041 0.305 -1.711) 1.739 2.012 ( 6.134 -9.612 -7.408) 13.598 2.539 ( -5.404 3.875 -1.525) 6.822 2.619 ( -4.516 -2.861 0.004) 5.346 2.918 ( 12.318 1.028 2.596) 12.630 2.933 ( 9.257 -1.079 -0.147) 9.320 3.287 ( 4.226 6.093 2.581) 7.852 3.380 ( 6.401 -1.741 -0.486) 6.651 3.673 ( 2.819 -1.028 3.252) 4.425 3.680 ( 2.533 -1.225 -0.582) 2.873 4.098 ( -10.969 4.982 3.272) 12.484 4.173 ( -11.894 -2.844 1.041) 12.273 4.406 ( 3.389 7.843 0.541) 8.562 4.530 ( 6.992 1.136 -0.742) 7.122 4.648 ( -3.044 -3.078 2.897) 5.209 4.734 ( 2.451 -5.670 1.713) 6.410 5.124 ( -2.875 6.387 -0.901) 7.062 5.216 ( -1.845 -2.481 2.656) 4.076 5.388 ( 11.780 6.926 -2.293) 13.856 5.477 ( 7.358 3.982 -3.448) 9.049 5.508 ( 5.264 -0.907 -2.034) 5.715 5.576 ( 8.343 -3.843 3.727) 9.913 5.837 ( 6.185 1.839 -4.262) 7.733 5.920 ( 9.752 -5.703 -5.965) 12.775 6.560 ( -1.986 8.148 6.649) 10.703 6.653 ( 1.062 0.808 3.685) 3.919 7.031 ( -3.959 1.885 -1.534) 4.646 7.124 ( 1.448 -5.692 4.053) 7.136 7.319 ( 5.295 3.337 -4.713) 7.835 7.461 ( 8.211 -8.935 -8.427) 14.773 8.862 ( -7.223 4.549 11.843) 14.599 8.952 ( -7.715 -3.900 7.806) 11.648 9.309 ( 6.258 5.155 -12.917) 15.250 9.346 ( 4.035 2.087 -13.957) 14.678 9.986 ( -4.580 9.849 5.355) 12.110 10.102 ( -0.609 11.186 -1.597) 11.315 10.192 ( -8.361 -6.117 4.697) 11.374 10.390 ( 0.154 -12.876 -2.061) 13.041 11.044 ( -4.692 2.579 -0.585) 5.386 11.109 ( -3.420 -3.580 -0.228) 4.957 11.227 ( 1.944 0.869 -3.930) 4.470 11.266 ( 2.193 -2.763 -2.367) 4.248 12.260 ( -4.689 2.348 0.372) 5.257 12.295 ( -3.311 -0.942 1.910) 3.937 12.720 ( -7.837 -1.901 1.776) 8.258 12.728 ( -9.253 -2.767 0.465) 9.669 13.528 ( 7.630 1.136 2.348) 8.064 13.580 ( 8.570 -3.757 0.309) 9.362 14.075 ( 6.168 1.372 3.655) 7.300 14.104 ( 7.281 -1.377 3.559) 8.221 21.052 ( -1.468 1.530 0.608) 2.206 21.085 ( -0.843 -1.595 -2.078) 2.752 21.821 ( -2.883 0.123 2.459) 3.791 21.839 ( -2.145 -1.624 1.565) 3.112 22.183 ( -0.364 1.948 2.062) 2.860 22.206 ( -0.981 -0.256 -1.625) 1.915 22.960 ( 3.053 2.445 -0.784) 3.989 23.034 ( 5.393 -4.944 -1.480) 7.465 23.272 ( -3.812 5.965 -1.382) 7.212 23.363 ( -1.184 -2.972 -3.683) 4.879 23.593 ( 2.458 1.807 -0.360) 3.072 23.609 ( 3.942 0.497 0.370) 3.990 23.891 ( -5.349 5.529 4.812) 9.074 23.992 ( -10.394 -4.350 4.631) 12.182 24.178 ( 7.977 14.294 -3.177) 16.675 24.447 ( 12.464 -11.821 -3.866) 17.607 ======================= Grid point 218 (122/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 9.129 3.315 8.506) 12.910 1.560 ( 2.894 -0.933 8.861) 9.369 1.623 ( 1.795 1.529 -3.921) 4.575 1.705 ( 10.530 -1.747 -4.170) 11.459 1.885 ( 2.366 3.944 -0.668) 4.648 1.902 ( 10.056 3.026 0.163) 10.503 1.954 ( 9.863 -2.079 0.549) 10.095 2.078 ( 7.706 -9.725 -2.539) 12.665 2.499 ( 4.504 3.133 -1.390) 5.659 2.576 ( 0.115 -2.672 0.137) 2.678 3.040 ( 6.169 2.417 -3.123) 7.325 3.110 ( 9.111 -3.851 -1.709) 10.038 3.419 ( 5.973 4.520 2.378) 7.859 3.474 ( 4.368 0.462 0.732) 4.452 3.667 ( 0.495 4.987 -3.973) 6.395 3.762 ( 1.742 -3.149 0.799) 3.687 3.994 ( -6.052 -0.048 3.337) 6.911 4.011 ( -8.796 -1.915 1.467) 9.121 4.445 ( 1.753 9.412 -1.054) 9.632 4.583 ( 2.027 7.560 -3.680) 8.649 4.631 ( -0.944 -5.935 1.941) 6.316 4.777 ( 3.107 -8.507 -2.768) 9.470 5.101 ( 4.114 6.202 -2.866) 7.975 5.218 ( 1.324 -4.381 -1.315) 4.762 5.489 ( 7.729 4.810 -4.109) 9.988 5.551 ( 7.792 -0.545 -3.308) 8.482 5.656 ( 10.401 3.238 -0.568) 10.908 5.739 ( 6.919 -4.584 -1.580) 8.449 5.892 ( 7.868 5.826 -4.459) 10.758 6.022 ( 10.963 -6.176 -5.177) 13.606 6.575 ( -0.759 8.153 -0.502) 8.203 6.699 ( 0.270 -3.085 -0.586) 3.152 6.990 ( -0.124 9.972 1.793) 10.133 7.221 ( 0.579 -11.876 5.864) 13.258 7.336 ( 6.941 5.758 -6.424) 11.073 7.482 ( 7.460 -8.025 -8.624) 13.944 8.897 ( -5.531 0.453 8.118) 9.834 8.914 ( -7.208 -0.951 6.612) 9.828 9.215 ( -1.624 5.764 -6.577) 8.895 9.290 ( 3.294 -0.923 -4.518) 5.667 9.996 ( -3.198 7.300 5.878) 9.903 10.094 ( -4.001 4.235 6.009) 8.370 10.147 ( -4.850 3.707 6.013) 8.569 10.369 ( -3.579 -11.178 1.742) 11.865 10.989 ( -1.216 4.184 0.992) 4.469 11.072 ( -1.669 -3.859 1.972) 4.644 11.207 ( 1.361 0.435 -3.176) 3.483 11.254 ( 0.775 -3.641 -3.079) 4.830 12.185 ( -4.868 3.384 0.584) 5.957 12.257 ( -3.898 -3.159 1.914) 5.370 12.553 ( -10.245 0.401 -0.851) 10.288 12.590 ( -8.299 -3.062 0.084) 8.846 13.686 ( 9.913 0.773 -1.227) 10.018 13.729 ( 10.346 -3.424 -1.985) 11.077 14.257 ( 8.050 2.113 4.977) 9.697 14.302 ( 8.750 -2.139 4.906) 10.257 21.023 ( -1.738 1.665 -0.153) 2.412 21.060 ( -1.620 -2.015 0.747) 2.691 21.796 ( -3.211 0.578 2.052) 3.855 21.824 ( -3.069 -2.083 2.364) 4.399 22.191 ( 0.393 3.985 1.797) 4.390 22.240 ( 0.779 -0.624 4.999) 5.097 23.009 ( 3.816 4.955 -2.165) 6.618 23.106 ( 4.094 -3.375 -0.901) 5.382 23.213 ( -0.378 1.627 -1.467) 2.223 23.299 ( -1.905 -4.695 -1.290) 5.228 23.629 ( 1.619 3.204 -0.092) 3.591 23.675 ( 3.793 -0.621 -0.950) 3.960 23.817 ( -4.361 2.828 -1.544) 5.423 23.846 ( -7.919 -0.309 -1.010) 7.989 24.319 ( 8.448 14.712 1.273) 17.013 24.603 ( 10.755 -12.733 -3.214) 16.974 ======================= Grid point 219 (123/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.134 6.753 -3.974) 7.837 1.677 ( -0.414 -4.456 -1.367) 4.680 1.722 ( 4.272 1.541 7.135) 8.458 1.782 ( 2.860 -4.775 4.755) 7.321 1.934 ( 4.816 5.624 0.202) 7.407 2.036 ( 8.656 -0.670 -3.931) 9.531 2.133 ( 4.947 -1.847 2.136) 5.696 2.185 ( 5.461 -3.820 4.013) 7.779 2.617 ( 4.728 2.459 1.441) 5.520 2.646 ( 7.888 -0.872 1.868) 8.153 3.080 ( 2.417 3.326 -0.905) 4.210 3.182 ( 2.855 -6.330 -1.337) 7.072 3.475 ( -1.208 3.858 0.430) 4.066 3.510 ( -1.122 0.551 -1.383) 1.865 3.639 ( 4.747 8.636 -5.516) 11.294 3.773 ( 2.588 -4.041 -3.765) 6.099 3.922 ( -3.897 -0.691 1.502) 4.233 3.956 ( -1.435 -3.570 0.456) 3.875 4.450 ( 2.275 8.179 -3.298) 9.108 4.563 ( 0.546 -1.778 -2.005) 2.735 4.649 ( 2.024 5.840 -2.509) 6.671 4.750 ( 0.660 -4.578 -5.837) 7.448 5.150 ( 3.916 2.868 -3.051) 5.733 5.240 ( 3.429 -4.650 -0.577) 5.807 5.558 ( 3.124 5.591 -0.171) 6.407 5.671 ( 5.451 -4.209 2.414) 7.297 5.763 ( 6.745 0.931 -6.496) 9.411 5.790 ( 7.388 -2.606 -2.484) 8.218 5.981 ( 8.117 6.587 -3.932) 11.169 6.131 ( 9.607 -7.472 -6.733) 13.908 6.540 ( 0.383 7.029 -4.069) 8.131 6.643 ( -1.329 -2.764 -6.110) 6.837 7.037 ( 1.270 11.509 1.650) 11.696 7.205 ( -0.879 -3.244 -5.464) 6.415 7.447 ( 6.552 -1.775 2.838) 7.358 7.520 ( 6.930 -6.992 -3.783) 10.546 8.818 ( -6.940 0.612 -0.058) 6.967 8.846 ( -9.377 -1.740 0.775) 9.568 9.214 ( 1.398 5.966 7.427) 9.628 9.338 ( 2.732 -5.299 4.367) 7.390 9.999 ( -3.671 8.482 3.522) 9.891 10.097 ( -6.084 1.785 6.506) 9.085 10.162 ( -2.925 5.347 6.499) 8.910 10.317 ( -4.364 -7.153 1.421) 8.499 11.040 ( 2.690 4.138 4.227) 6.498 11.102 ( 2.661 -1.211 1.350) 3.221 11.215 ( 1.328 -3.012 1.425) 3.587 11.243 ( 3.528 -4.336 -3.300) 6.491 12.114 ( -5.315 3.866 1.399) 6.719 12.208 ( -5.728 -4.995 2.295) 7.939 12.400 ( -4.972 3.234 -2.743) 6.535 12.468 ( -5.217 -3.366 -1.427) 6.370 13.812 ( 7.448 0.920 -1.851) 7.730 13.860 ( 8.403 -3.767 -2.529) 9.549 14.433 ( 4.985 2.214 5.613) 7.827 14.478 ( 4.715 -2.010 4.993) 7.156 21.004 ( -0.750 1.789 0.518) 2.008 21.043 ( -1.957 -2.179 1.352) 3.226 21.768 ( -2.897 0.309 1.693) 3.369 21.793 ( -3.333 -2.035 1.442) 4.163 22.256 ( 2.097 6.387 5.212) 8.507 22.335 ( 1.149 -1.078 7.702) 7.861 22.991 ( -0.976 7.073 -4.185) 8.276 23.129 ( 0.576 -6.591 -4.382) 7.936 23.203 ( 1.645 4.129 0.045) 4.445 23.315 ( 4.044 -6.494 -0.217) 7.653 23.599 ( -3.365 5.483 -2.910) 7.061 23.664 ( -0.131 0.386 -5.102) 5.118 23.757 ( -1.112 1.836 0.957) 2.350 23.793 ( 0.644 -1.770 1.218) 2.243 24.459 ( 5.722 12.333 1.953) 13.736 24.709 ( 7.523 -11.649 -4.219) 14.495 ======================= Grid point 220 (124/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.532 5.004 -2.257) 5.515 1.611 ( -2.413 -3.472 -3.906) 5.756 1.783 ( -0.647 4.312 0.803) 4.434 1.849 ( -0.543 -2.870 1.659) 3.359 2.043 ( 4.080 1.623 2.892) 5.258 2.118 ( 3.506 -4.762 -0.714) 5.956 2.205 ( 2.751 3.462 1.806) 4.777 2.289 ( 2.632 -3.836 1.145) 4.791 2.694 ( 0.076 5.577 5.344) 7.724 2.775 ( 3.217 -2.823 2.776) 5.101 3.106 ( -1.309 2.543 2.977) 4.128 3.196 ( -0.844 -6.044 0.790) 6.154 3.432 ( -3.059 2.674 -0.259) 4.072 3.451 ( -1.481 1.106 -2.938) 3.471 3.631 ( 4.490 7.006 -9.150) 12.368 3.742 ( 3.051 -3.585 -8.424) 9.650 3.937 ( 0.961 1.149 4.793) 5.022 3.992 ( 2.908 -3.809 2.995) 5.650 4.425 ( -0.407 5.471 -4.243) 6.935 4.512 ( -3.283 -2.241 -5.834) 7.059 4.612 ( -0.521 5.237 -3.360) 6.244 4.682 ( -1.650 -1.826 -3.731) 4.470 5.174 ( 1.717 6.083 1.560) 6.510 5.300 ( 0.943 -4.697 4.073) 6.288 5.585 ( 3.748 4.569 -4.878) 7.663 5.704 ( 2.705 -6.106 -5.523) 8.667 5.819 ( 0.343 2.800 2.747) 3.937 5.888 ( 2.053 -4.430 3.053) 5.759 6.065 ( 8.038 4.246 -3.585) 9.772 6.167 ( 6.806 -5.779 -7.825) 11.872 6.471 ( -1.577 3.276 -7.289) 8.145 6.516 ( -2.730 -0.984 -8.361) 8.851 7.047 ( -0.832 7.445 -0.495) 7.508 7.113 ( -0.877 1.362 -5.355) 5.594 7.564 ( 1.629 -1.647 3.487) 4.186 7.606 ( 6.953 -5.081 -1.480) 8.738 8.679 ( -10.858 1.275 2.192) 11.150 8.713 ( -4.710 -2.191 -0.678) 5.239 9.373 ( 4.231 3.547 8.631) 10.246 9.471 ( 5.355 -5.308 5.277) 9.203 9.989 ( -1.060 7.485 2.779) 8.054 10.061 ( -3.697 1.902 2.623) 4.916 10.193 ( -0.626 3.977 2.851) 4.933 10.273 ( -1.355 -3.322 -0.883) 3.694 11.126 ( -1.310 3.782 6.444) 7.586 11.193 ( 4.505 0.247 1.783) 4.851 11.266 ( 1.491 -3.399 1.877) 4.159 11.309 ( 8.890 -5.269 -2.627) 10.663 12.050 ( -5.455 3.560 3.593) 7.439 12.130 ( -7.410 -3.988 4.341) 9.469 12.313 ( -0.996 3.558 -4.623) 5.918 12.389 ( -0.766 -3.773 -3.318) 5.082 13.879 ( 2.380 0.903 -0.821) 2.675 13.930 ( 3.438 -4.019 -2.500) 5.850 14.550 ( 0.542 1.246 5.616) 5.778 14.575 ( -0.036 -1.106 4.591) 4.723 21.013 ( 0.575 0.984 1.121) 1.598 21.033 ( -0.888 -1.014 1.035) 1.699 21.745 ( -2.042 -0.463 1.283) 2.456 21.756 ( -2.170 -1.454 0.364) 2.637 22.381 ( 3.038 7.055 7.785) 10.937 22.461 ( 1.026 -0.530 9.445) 9.515 22.898 ( -2.079 7.349 -6.063) 9.751 23.033 ( -2.154 -6.275 -6.962) 9.617 23.250 ( 2.697 5.225 -0.660) 5.917 23.356 ( 3.384 -4.633 -5.104) 7.679 23.530 ( -1.679 5.313 0.870) 5.639 23.599 ( -1.535 -0.254 -2.214) 2.706 23.772 ( -0.068 1.550 1.740) 2.331 23.822 ( 0.760 -3.076 0.610) 3.226 24.549 ( 1.851 8.768 2.367) 9.269 24.745 ( 3.767 -9.833 -5.126) 11.711 ======================= Grid point 221 (125/148) ======================= q-point: (-0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.084 2.581 -0.945) 2.750 1.526 ( -1.308 1.173 -2.815) 3.318 1.755 ( -4.028 4.350 1.168) 6.042 1.823 ( -3.599 -2.381 0.401) 4.334 2.105 ( 0.244 -1.449 1.306) 1.966 2.123 ( -1.031 -2.968 -0.618) 3.202 2.275 ( 3.458 1.861 0.317) 3.940 2.316 ( 1.713 -1.927 -1.958) 3.238 2.752 ( -2.637 5.395 6.371) 8.755 2.826 ( -0.706 -1.690 1.825) 2.586 3.094 ( -6.233 2.288 5.655) 8.722 3.163 ( -4.599 -3.594 1.726) 6.087 3.376 ( -2.625 2.348 -3.507) 4.970 3.406 ( -3.216 -1.186 3.110) 4.628 3.586 ( 4.969 5.650 -9.465) 12.091 3.686 ( 3.162 -3.467 -8.477) 9.689 4.037 ( 1.550 2.085 5.378) 5.972 4.070 ( 0.269 -1.121 2.031) 2.336 4.326 ( -8.143 1.697 -4.481) 9.448 4.347 ( -1.758 -0.577 -2.233) 2.900 4.557 ( -4.994 3.136 0.410) 5.912 4.616 ( -1.916 -1.999 -1.376) 3.092 5.256 ( 0.999 7.755 7.025) 10.511 5.379 ( 0.416 -2.012 6.669) 6.978 5.512 ( -1.095 4.427 -12.161) 12.988 5.638 ( 1.424 -6.258 -11.643) 13.295 5.839 ( -4.515 1.969 7.120) 8.658 5.922 ( -1.849 -6.172 4.790) 8.029 6.127 ( 0.300 1.551 -1.446) 2.141 6.170 ( 2.479 -1.904 -5.521) 6.345 6.327 ( -4.370 -0.302 -5.467) 7.005 6.345 ( -5.538 -0.820 -6.255) 8.395 7.011 ( -1.897 5.618 -0.535) 5.954 7.072 ( 1.549 2.062 -2.769) 3.784 7.574 ( -3.466 2.423 1.204) 4.397 7.683 ( 4.037 -6.530 -2.141) 7.970 8.571 ( -7.093 3.625 5.137) 9.479 8.671 ( -1.603 -5.815 2.451) 6.510 9.533 ( 5.583 3.587 3.683) 7.589 9.621 ( 8.028 -4.619 0.243) 9.265 10.053 ( 4.818 5.848 2.501) 7.979 10.065 ( 2.549 4.842 -1.028) 5.568 10.218 ( 1.942 1.483 -0.041) 2.444 10.264 ( 3.638 -2.794 -2.182) 5.079 11.141 ( -3.888 2.659 2.783) 5.471 11.198 ( -6.792 -2.430 2.810) 7.741 11.339 ( 7.153 2.119 -3.497) 8.239 11.424 ( 7.840 -5.332 -3.672) 10.168 12.047 ( -3.217 2.742 7.640) 8.731 12.114 ( -3.904 -3.732 9.478) 10.909 12.247 ( 0.929 5.002 -5.242) 7.305 12.352 ( 2.341 -5.089 -5.038) 7.534 13.861 ( -4.348 0.308 0.461) 4.383 13.903 ( -3.348 -3.731 -1.991) 5.394 14.573 ( -5.264 1.551 4.483) 7.086 14.603 ( -3.088 -1.660 3.949) 5.280 21.033 ( 0.386 1.229 0.537) 1.395 21.056 ( 2.700 -1.031 0.406) 2.919 21.730 ( -1.294 -0.239 1.118) 1.727 21.745 ( 0.106 -1.838 0.641) 1.950 22.530 ( 1.963 6.078 7.475) 9.833 22.585 ( 0.995 1.548 6.946) 7.185 22.800 ( -0.483 6.401 -3.789) 7.454 22.913 ( -0.325 -4.670 -8.021) 9.287 23.259 ( -0.184 3.963 -1.270) 4.166 23.306 ( -0.179 0.326 -5.782) 5.793 23.548 ( -0.150 1.707 2.019) 2.648 23.566 ( -1.002 0.449 0.276) 1.132 23.784 ( -1.263 0.470 1.701) 2.170 23.829 ( 0.096 -3.275 -0.403) 3.301 24.578 ( -2.143 5.053 2.969) 6.240 24.709 ( -0.079 -7.318 -5.556) 9.188 ======================= Grid point 222 (126/148) ======================= q-point: (-0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -1.483 7.440 -1.641) 7.762 1.547 ( 0.611 -0.746 3.147) 3.291 1.684 ( -6.513 3.283 2.012) 7.566 1.764 ( -4.673 -3.493 1.825) 6.112 2.056 ( -4.483 -0.492 -2.313) 5.068 2.092 ( -3.562 -3.950 0.031) 5.319 2.293 ( 0.061 1.073 -5.561) 5.664 2.321 ( 2.403 -1.521 -1.855) 3.396 2.697 ( -9.262 6.142 0.552) 11.128 2.775 ( -4.832 -0.565 -3.968) 6.278 3.080 ( -6.643 2.506 9.006) 11.468 3.105 ( -7.537 0.620 4.072) 8.589 3.268 ( -6.948 5.173 1.539) 8.798 3.401 ( -4.127 -7.399 7.698) 11.447 3.584 ( 5.892 4.087 -6.447) 9.642 3.648 ( 3.343 -1.654 -6.704) 7.672 4.015 ( -2.920 1.157 -2.831) 4.229 4.021 ( -3.357 0.940 -3.478) 4.924 4.278 ( -0.543 4.056 7.713) 8.731 4.383 ( 1.337 -6.404 6.231) 9.034 4.483 ( -5.333 5.193 3.363) 8.168 4.578 ( -2.694 -3.206 1.766) 4.545 5.285 ( -6.696 5.859 -11.283) 14.370 5.315 ( -6.610 5.038 4.394) 9.401 5.446 ( -1.416 -1.696 1.486) 2.663 5.505 ( -0.170 -4.835 -3.420) 5.925 5.809 ( -8.843 4.055 2.171) 9.968 5.935 ( -5.720 -7.559 1.310) 9.570 5.995 ( -3.639 -1.015 -6.686) 7.679 6.013 ( -7.959 -2.751 -7.516) 11.287 6.285 ( -0.469 2.871 7.137) 7.707 6.322 ( -0.916 -1.098 6.578) 6.732 6.979 ( -2.279 6.262 0.564) 6.688 7.076 ( 1.539 -1.722 -1.007) 2.520 7.496 ( -5.231 6.509 -1.514) 8.486 7.677 ( 0.348 -9.248 -4.381) 10.239 8.572 ( -2.992 4.672 8.129) 9.842 8.713 ( 0.158 -8.524 5.767) 10.293 9.642 ( 7.477 4.173 -4.108) 9.497 9.706 ( 7.478 -1.839 -8.712) 11.627 10.089 ( 4.431 7.789 -4.753) 10.144 10.201 ( 10.113 1.398 0.615) 10.228 10.257 ( 2.412 1.789 0.524) 3.049 10.360 ( 9.508 -3.900 -1.185) 10.345 11.078 ( -3.384 2.918 -1.546) 4.729 11.126 ( -2.593 -2.205 0.656) 3.466 11.348 ( 1.367 2.485 -7.067) 7.615 11.440 ( 1.129 -5.900 -5.803) 8.352 12.123 ( -1.626 4.359 10.025) 11.052 12.189 ( -0.147 0.031 4.070) 4.073 12.273 ( 5.922 0.272 3.607) 6.939 12.352 ( 5.150 -5.264 -4.178) 8.467 13.751 ( -10.517 -0.603 2.150) 10.752 13.777 ( -9.615 -3.098 -0.496) 10.114 14.496 ( -9.596 2.743 3.061) 10.439 14.552 ( -8.145 -2.892 2.402) 8.970 21.048 ( 1.670 3.138 -1.045) 3.705 21.112 ( 3.980 -3.251 -0.868) 5.212 21.738 ( 0.049 0.558 1.822) 1.906 21.770 ( 1.006 -2.702 1.759) 3.377 22.510 ( -3.319 8.462 -5.566) 10.659 22.655 ( -0.126 -4.197 -2.968) 5.142 22.823 ( 3.818 6.543 2.971) 8.138 22.927 ( 5.867 -2.656 5.269) 8.321 23.220 ( -3.237 2.539 0.097) 4.115 23.229 ( -2.096 2.005 -2.872) 4.082 23.540 ( -1.367 2.941 0.332) 3.261 23.575 ( 0.354 -0.940 0.136) 1.013 23.770 ( -2.102 0.989 0.893) 2.489 23.823 ( -0.158 -3.686 -0.372) 3.708 24.555 ( -5.142 1.701 3.238) 6.311 24.609 ( -3.417 -3.406 -5.596) 7.388 ======================= Grid point 223 (127/148) ======================= q-point: (-0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -5.632 10.700 0.394) 12.098 1.576 ( -4.129 -5.964 -1.565) 7.421 1.621 ( -5.190 5.046 9.333) 11.811 1.716 ( -3.832 -4.043 2.579) 6.139 1.931 ( -5.928 2.277 -3.244) 7.131 2.004 ( -5.297 -4.446 -1.808) 7.148 2.139 ( -6.649 2.606 -9.923) 12.226 2.227 ( -7.036 -6.117 -8.878) 12.874 2.568 ( -3.803 6.678 -1.647) 7.859 2.629 ( -3.919 1.330 -2.399) 4.784 2.945 ( -12.069 2.932 -0.617) 12.435 3.014 ( -9.730 -2.966 2.832) 10.559 3.300 ( -2.597 10.281 13.133) 16.879 3.497 ( -0.654 -8.369 12.267) 14.865 3.558 ( -3.569 1.695 -3.093) 5.017 3.594 ( -1.323 -1.253 -5.375) 5.675 4.005 ( 3.769 2.502 1.871) 4.895 4.015 ( 6.180 1.180 0.992) 6.369 4.341 ( -1.203 4.985 2.850) 5.867 4.470 ( -1.073 -8.078 6.840) 10.639 4.528 ( 2.763 4.465 7.351) 9.034 4.581 ( -0.931 -1.453 2.003) 2.644 5.058 ( -7.949 4.902 -4.553) 10.390 5.140 ( -11.036 -3.045 -0.628) 11.466 5.401 ( -5.869 3.850 0.385) 7.030 5.513 ( -4.929 -3.671 3.565) 7.105 5.611 ( -8.769 4.079 -3.060) 10.144 5.726 ( -8.425 -7.085 -3.696) 11.612 5.889 ( -3.613 -0.123 -2.956) 4.670 5.925 ( -4.662 -3.415 0.553) 5.805 6.371 ( -0.584 5.472 8.044) 9.746 6.447 ( 1.191 -1.955 10.757) 10.998 6.953 ( -2.143 8.007 1.823) 8.487 7.100 ( 1.060 -5.394 1.826) 5.793 7.378 ( -4.808 7.782 -3.563) 9.817 7.598 ( -1.417 -11.452 -6.563) 13.275 8.656 ( -0.863 5.452 9.845) 11.287 8.808 ( 1.074 -9.024 7.641) 11.873 9.655 ( 4.999 2.123 -15.056) 16.006 9.659 ( 7.235 2.036 -13.411) 15.374 10.083 ( 0.470 10.289 -3.389) 10.843 10.273 ( -0.463 -6.035 0.517) 6.075 10.375 ( 10.238 5.559 -4.819) 12.607 10.500 ( 10.558 -4.293 -4.496) 12.252 11.046 ( 2.051 6.122 -1.980) 6.753 11.132 ( 3.301 -2.609 -1.299) 4.404 11.258 ( 0.004 0.848 -5.666) 5.730 11.341 ( -2.273 -6.778 -7.148) 10.109 12.190 ( 0.916 4.809 3.111) 5.800 12.258 ( 1.462 -0.879 3.806) 4.171 12.439 ( 7.996 -1.587 2.543) 8.539 12.461 ( 7.383 -2.988 5.540) 9.702 13.586 ( -13.640 -0.994 4.474) 14.389 13.603 ( -11.799 -2.521 2.457) 12.313 14.336 ( -12.902 2.878 1.641) 13.320 14.394 ( -12.987 -2.934 0.896) 13.345 21.059 ( 1.954 4.475 -2.122) 5.324 21.155 ( 3.645 -5.174 -2.660) 6.865 21.771 ( 0.407 1.170 2.603) 2.882 21.815 ( 0.824 -3.301 2.707) 4.348 22.370 ( -3.013 9.336 -7.432) 12.308 22.544 ( -1.863 -6.783 -9.005) 11.427 22.946 ( 3.723 7.249 1.785) 8.342 23.071 ( 1.000 -4.749 0.780) 4.916 23.185 ( -1.847 3.969 4.077) 5.982 23.236 ( 5.112 -1.109 4.431) 6.855 23.528 ( -1.023 3.627 1.344) 4.001 23.574 ( -0.436 -1.732 0.459) 1.844 23.751 ( -1.464 2.242 1.406) 3.024 23.811 ( -0.268 -3.373 -0.853) 3.490 24.459 ( -5.819 2.595 -4.655) 7.891 24.501 ( -5.904 -1.642 1.692) 6.357 ======================= Grid point 224 (128/148) ======================= q-point: (-0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -12.290 10.145 1.114) 15.975 1.423 ( -9.296 -5.468 -2.057) 10.979 1.624 ( -7.560 5.464 2.707) 9.713 1.709 ( -0.386 -2.495 -1.784) 3.091 1.751 ( -10.088 2.739 -3.471) 11.014 1.853 ( -4.086 -5.367 -3.841) 7.762 1.988 ( 2.318 -0.175 -6.363) 6.774 2.029 ( 0.161 -3.975 -7.395) 8.397 2.529 ( 3.178 6.109 -1.299) 7.008 2.603 ( 0.365 -1.603 -0.470) 1.710 2.791 ( -7.675 3.707 4.713) 9.740 2.884 ( -9.755 -3.555 2.243) 10.622 3.364 ( -3.427 6.934 1.271) 7.838 3.402 ( -9.888 2.245 -1.383) 10.234 3.515 ( -2.565 -0.214 4.558) 5.234 3.642 ( -0.716 -7.856 8.678) 11.728 4.141 ( 5.154 5.090 4.716) 8.644 4.196 ( 10.252 -0.421 1.549) 10.377 4.362 ( 0.967 9.272 2.681) 9.700 4.519 ( -2.970 2.743 -4.299) 5.902 4.540 ( -2.520 -8.601 8.570) 12.400 4.629 ( -2.125 -6.217 1.644) 6.773 4.962 ( -0.154 8.320 6.046) 10.286 5.097 ( -0.876 -4.911 8.741) 10.064 5.270 ( -6.577 6.875 -1.068) 9.574 5.401 ( -4.130 -3.940 -2.491) 6.228 5.533 ( -5.177 2.120 2.313) 6.054 5.596 ( -5.337 -5.009 -0.600) 7.344 5.801 ( -1.803 1.492 -2.542) 3.455 5.864 ( -1.581 -4.876 -0.928) 5.209 6.449 ( -1.625 8.921 7.125) 11.533 6.572 ( -1.346 -3.132 8.295) 8.968 6.973 ( 1.205 9.323 3.257) 9.948 7.159 ( 0.540 -9.205 4.462) 10.244 7.264 ( -1.938 7.960 -4.777) 9.483 7.488 ( -0.032 -12.218 -8.145) 14.684 8.765 ( -1.843 6.534 10.607) 12.594 8.915 ( -0.215 -7.779 7.495) 10.805 9.527 ( 4.593 3.776 -17.720) 18.691 9.567 ( 5.605 0.559 -17.396) 18.285 10.035 ( -2.397 11.921 -0.576) 12.173 10.252 ( -2.209 -8.918 0.424) 9.197 10.363 ( 0.702 10.645 -11.020) 15.338 10.558 ( 4.983 -7.768 -8.518) 12.559 11.082 ( 5.319 5.853 -1.873) 8.127 11.179 ( 4.552 -0.089 -2.568) 5.228 11.216 ( -1.504 -3.937 -4.354) 6.060 11.260 ( 2.636 -5.123 -2.805) 6.408 12.254 ( 3.113 3.568 1.378) 4.932 12.311 ( 0.848 -1.705 1.723) 2.568 12.623 ( 7.467 -0.377 4.842) 8.908 12.653 ( 7.045 -3.395 5.464) 9.540 13.446 ( -10.763 0.001 6.688) 12.672 13.476 ( -8.211 -2.890 4.724) 9.904 14.137 ( -11.921 1.868 0.879) 12.098 14.174 ( -13.150 -1.861 0.326) 13.285 21.061 ( 1.288 4.618 -1.798) 5.120 21.162 ( 1.893 -5.448 -3.656) 6.828 21.806 ( -0.309 1.454 2.660) 3.047 21.854 ( -0.342 -3.542 2.468) 4.331 22.246 ( -2.042 8.251 -5.250) 9.990 22.401 ( -2.110 -6.261 -8.274) 10.588 22.956 ( -0.737 3.100 -1.120) 3.378 23.030 ( -2.147 -3.765 -1.988) 4.768 23.289 ( 5.763 7.072 3.372) 9.726 23.364 ( 4.833 -1.052 -1.575) 5.191 23.535 ( -1.279 1.665 2.078) 2.954 23.583 ( -1.313 -1.414 2.289) 2.994 23.769 ( -0.821 2.099 3.980) 4.574 23.844 ( 3.241 -4.201 6.000) 8.009 24.306 ( -4.749 7.416 -5.255) 10.255 24.418 ( -4.770 -3.807 -0.689) 6.141 ======================= Grid point 252 (129/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.739 0.000 -9.775) 10.151 0.823 ( 2.739 0.000 9.775) 10.151 1.479 ( -0.127 0.000 -13.996) 13.996 1.479 ( 0.127 0.000 13.996) 13.996 1.925 ( -7.632 0.000 -8.286) 11.266 1.925 ( 7.632 0.000 8.286) 11.266 2.081 ( -3.149 0.000 -1.831) 3.642 2.081 ( 3.149 0.000 1.831) 3.642 2.592 ( 8.414 0.000 -3.389) 9.071 2.592 ( -8.414 0.000 3.389) 9.071 2.706 ( 2.691 0.000 -3.585) 4.483 2.706 ( -2.691 0.000 3.585) 4.483 3.214 ( 8.007 0.000 -10.501) 13.205 3.214 ( -8.007 0.000 10.501) 13.205 3.774 ( 8.763 0.000 -4.682) 9.936 3.774 ( -8.763 0.000 4.682) 9.936 3.967 ( -6.921 0.000 -0.583) 6.945 3.967 ( 6.921 0.000 0.583) 6.945 4.171 ( -0.349 0.000 -1.472) 1.513 4.171 ( 0.349 0.000 1.472) 1.513 4.718 ( -8.572 0.000 -0.619) 8.595 4.718 ( 8.572 0.000 0.619) 8.595 5.029 ( 3.849 0.000 -7.764) 8.666 5.029 ( -3.849 0.000 7.764) 8.666 5.308 ( 9.770 0.000 -6.641) 11.813 5.308 ( -9.770 0.000 6.641) 11.813 5.432 ( -5.454 0.000 -4.417) 7.018 5.432 ( 5.454 0.000 4.417) 7.018 6.086 ( -1.160 0.000 -6.072) 6.182 6.086 ( 1.160 0.000 6.072) 6.182 6.258 ( -7.710 0.000 -5.609) 9.535 6.258 ( 7.710 0.000 5.609) 9.535 7.124 ( -3.470 0.000 -3.796) 5.143 7.124 ( 3.470 0.000 3.796) 5.143 7.619 ( 2.576 0.000 -6.415) 6.913 7.619 ( -2.576 0.000 6.415) 6.913 8.881 ( 1.382 0.000 -9.932) 10.027 8.881 ( -1.382 0.000 9.932) 10.027 9.028 ( -1.204 0.000 -8.351) 8.437 9.028 ( 1.204 0.000 8.351) 8.437 9.589 ( 1.072 0.000 -1.516) 1.857 9.589 ( -1.072 0.000 1.516) 1.857 10.713 ( 9.739 0.000 -6.970) 11.976 10.713 ( -9.739 0.000 6.970) 11.976 11.211 ( -1.333 0.000 -6.117) 6.261 11.211 ( 1.333 0.000 6.117) 6.261 11.273 ( -9.232 0.000 -2.383) 9.534 11.273 ( 9.232 0.000 2.383) 9.534 12.236 ( -5.204 0.000 -0.482) 5.226 12.236 ( 5.204 0.000 0.482) 5.226 12.983 ( -0.064 0.000 -5.640) 5.641 12.983 ( 0.064 0.000 5.640) 5.641 13.723 ( 3.371 0.000 -1.450) 3.669 13.723 ( -3.371 0.000 1.450) 3.669 14.013 ( 2.982 0.000 -1.927) 3.551 14.013 ( -2.982 0.000 1.927) 3.551 21.111 ( -3.281 0.000 -7.940) 8.591 21.111 ( 3.281 0.000 7.940) 8.591 21.797 ( -2.219 0.000 -4.822) 5.308 21.797 ( 2.219 0.000 4.822) 5.308 22.463 ( 1.624 0.000 -2.329) 2.839 22.463 ( -1.624 0.000 2.329) 2.839 22.711 ( -6.089 0.000 -3.328) 6.939 22.711 ( 6.089 0.000 3.328) 6.939 23.189 ( -5.289 0.000 -0.636) 5.327 23.189 ( 5.289 0.000 0.636) 5.327 23.541 ( 0.455 0.000 -4.869) 4.890 23.541 ( -0.455 0.000 4.869) 4.890 23.661 ( -1.059 0.000 -5.004) 5.115 23.661 ( 1.059 0.000 5.004) 5.115 24.432 ( -19.511 0.000 2.344) 19.651 24.432 ( 19.511 0.000 -2.344) 19.651 ======================= Grid point 254 (130/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 26.735 0.000 -0.314) 26.737 1.240 ( 21.849 0.000 12.214) 25.031 1.336 ( 4.282 0.000 -13.632) 14.288 1.627 ( -3.340 0.000 4.448) 5.562 1.756 ( 2.321 0.000 2.193) 3.193 1.928 ( -6.866 0.000 -3.245) 7.594 2.141 ( 3.093 0.000 -2.445) 3.942 2.176 ( 9.559 0.000 4.133) 10.414 2.535 ( -2.748 0.000 2.594) 3.779 2.668 ( 13.833 0.000 -14.977) 20.388 2.704 ( 0.290 0.000 -0.359) 0.461 2.744 ( 5.717 0.000 0.945) 5.795 3.208 ( 4.831 0.000 -9.662) 10.803 3.258 ( -4.158 0.000 13.098) 13.742 3.684 ( -6.868 0.000 2.480) 7.302 3.844 ( 8.233 0.000 -7.296) 11.001 3.853 ( -6.993 0.000 -0.169) 6.996 4.092 ( 9.081 0.000 -4.439) 10.108 4.142 ( -1.918 0.000 -0.620) 2.016 4.202 ( -2.677 0.000 8.115) 8.545 4.617 ( 2.686 0.000 -4.606) 5.332 4.682 ( -8.094 0.000 -7.852) 11.277 4.956 ( -0.840 0.000 -5.477) 5.541 5.183 ( 9.501 0.000 3.750) 10.214 5.313 ( 2.748 0.000 1.582) 3.171 5.327 ( -0.214 0.000 6.689) 6.693 5.512 ( 14.501 0.000 -1.394) 14.567 5.577 ( 4.096 0.000 3.474) 5.371 6.046 ( 4.705 0.000 -3.019) 5.591 6.081 ( -3.147 0.000 -5.847) 6.640 6.199 ( 4.599 0.000 2.382) 5.180 6.447 ( 9.143 0.000 1.662) 9.293 6.954 ( -6.206 0.000 -9.370) 11.239 7.145 ( -0.727 0.000 -2.932) 3.020 7.626 ( 3.810 0.000 -2.755) 4.702 7.704 ( -0.279 0.000 9.933) 9.937 8.867 ( 8.807 0.000 -9.645) 13.061 8.923 ( -1.973 0.000 0.794) 2.126 9.013 ( 0.005 0.000 9.592) 9.592 9.143 ( -1.646 0.000 11.215) 11.335 9.632 ( 2.156 0.000 2.673) 3.434 9.670 ( 2.747 0.000 9.329) 9.725 10.580 ( -14.787 0.000 5.959) 15.943 10.718 ( 3.314 0.000 -8.139) 8.788 11.028 ( -13.925 0.000 -2.537) 14.154 11.151 ( -1.306 0.000 -3.162) 3.421 11.314 ( -1.554 0.000 9.566) 9.691 11.407 ( 4.897 0.000 0.996) 4.997 12.156 ( -2.364 0.000 -0.654) 2.453 12.293 ( 0.413 0.000 0.240) 0.478 12.817 ( -9.807 0.000 -5.905) 11.448 12.933 ( -10.375 0.000 1.141) 10.437 13.723 ( 2.894 0.000 -0.005) 2.894 13.800 ( 10.291 0.000 -4.162) 11.101 14.090 ( 8.158 0.000 1.493) 8.294 14.138 ( 9.870 0.000 2.697) 10.232 20.985 ( -2.092 0.000 -4.973) 5.395 21.265 ( 0.910 0.000 9.691) 9.734 21.722 ( -0.956 0.000 -1.903) 2.130 21.897 ( 1.128 0.000 6.569) 6.665 22.383 ( -9.569 0.000 1.079) 9.630 22.411 ( -2.928 0.000 -2.917) 4.133 22.622 ( -2.225 0.000 0.399) 2.260 22.809 ( -2.627 0.000 5.513) 6.107 23.155 ( 3.479 0.000 -5.017) 6.105 23.426 ( 21.498 0.000 2.790) 21.678 23.494 ( 0.038 0.000 -3.936) 3.936 23.572 ( -1.774 0.000 0.178) 1.783 23.633 ( 2.078 0.000 2.307) 3.105 23.751 ( 1.951 0.000 5.358) 5.702 24.075 ( -20.161 0.000 -5.932) 21.015 24.659 ( 15.886 0.000 -7.838) 17.714 ======================= Grid point 255 (131/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 8.716 0.000 -12.172) 14.971 1.395 ( 19.338 0.000 -8.035) 20.941 1.627 ( 3.403 0.000 5.831) 6.751 1.682 ( 5.743 0.000 11.741) 13.071 1.823 ( 3.608 0.000 -0.732) 3.681 1.937 ( 4.776 0.000 6.705) 8.232 2.101 ( 0.783 0.000 -8.054) 8.092 2.370 ( 5.512 0.000 1.215) 5.644 2.595 ( 7.486 0.000 5.559) 9.325 2.690 ( -0.331 0.000 -0.693) 0.768 2.763 ( 19.498 0.000 -13.359) 23.635 2.894 ( 10.581 0.000 -1.595) 10.700 3.143 ( 2.363 0.000 -8.003) 8.344 3.340 ( -5.719 0.000 9.960) 11.485 3.630 ( -2.273 0.000 1.992) 3.022 3.732 ( -5.730 0.000 0.006) 5.730 3.841 ( 1.880 0.000 -7.599) 7.828 4.088 ( 2.594 0.000 -9.359) 9.711 4.089 ( -2.682 0.000 -1.783) 3.221 4.324 ( 1.354 0.000 9.899) 9.991 4.455 ( -0.933 0.000 -11.592) 11.630 4.665 ( 9.302 0.000 -6.969) 11.623 4.944 ( 4.697 0.000 -0.016) 4.697 5.149 ( -5.735 0.000 -1.311) 5.883 5.392 ( -1.401 0.000 4.137) 4.368 5.610 ( 16.762 0.000 0.984) 16.791 5.657 ( 4.044 0.000 1.873) 4.457 5.708 ( 7.920 0.000 3.142) 8.520 6.030 ( 6.485 0.000 -6.831) 9.419 6.205 ( 12.347 0.000 5.047) 13.339 6.278 ( 1.551 0.000 1.036) 1.865 6.585 ( 4.765 0.000 -0.067) 4.766 6.726 ( -4.861 0.000 -10.176) 11.278 7.079 ( -0.995 0.000 -3.576) 3.712 7.634 ( 2.256 0.000 -4.871) 5.367 7.808 ( -1.680 0.000 7.607) 7.790 8.812 ( 1.178 0.000 -6.499) 6.604 9.051 ( -8.394 0.000 7.497) 11.254 9.088 ( 11.246 0.000 5.221) 12.399 9.271 ( 0.874 0.000 11.094) 11.128 9.694 ( -0.452 0.000 4.162) 4.186 9.805 ( -5.085 0.000 9.810) 11.050 10.410 ( -14.839 0.000 7.217) 16.501 10.646 ( -8.230 0.000 -2.497) 8.600 10.851 ( 4.444 0.000 -3.504) 5.659 11.113 ( 0.730 0.000 -0.083) 0.734 11.350 ( -3.250 0.000 3.337) 4.658 11.501 ( 1.861 0.000 5.178) 5.502 12.144 ( 2.291 0.000 -2.615) 3.477 12.243 ( -5.521 0.000 -1.952) 5.856 12.577 ( -11.233 0.000 -1.863) 11.386 12.726 ( -10.862 0.000 -3.594) 11.441 13.817 ( 7.393 0.000 0.520) 7.411 13.939 ( 11.534 0.000 -3.886) 12.171 14.269 ( 11.749 0.000 -0.518) 11.761 14.353 ( 7.103 0.000 7.942) 10.655 20.922 ( 0.167 0.000 -2.692) 2.697 21.328 ( -5.867 0.000 6.219) 8.550 21.747 ( 2.744 0.000 3.349) 4.330 21.988 ( -1.449 0.000 8.364) 8.488 22.234 ( -9.086 0.000 0.939) 9.134 22.319 ( -4.624 0.000 -0.868) 4.705 22.600 ( -0.412 0.000 -1.670) 1.720 22.755 ( -7.285 0.000 -1.270) 7.395 23.153 ( 4.855 0.000 -6.635) 8.221 23.411 ( -2.898 0.000 -7.457) 8.001 23.542 ( -0.792 0.000 -0.684) 1.046 23.699 ( -9.441 0.000 -7.946) 12.339 23.729 ( 2.918 0.000 5.280) 6.033 23.818 ( 4.835 0.000 6.384) 8.008 23.947 ( 18.662 0.000 11.777) 22.068 24.777 ( 12.767 0.000 -11.012) 16.860 ======================= Grid point 256 (132/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 13.569 0.000 -9.716) 16.689 1.565 ( 11.748 0.000 -3.848) 12.362 1.613 ( -5.677 0.000 5.850) 8.152 1.912 ( 7.448 0.000 -3.634) 8.288 1.958 ( 4.948 0.000 2.425) 5.510 1.970 ( -5.550 0.000 0.549) 5.577 2.052 ( 1.965 0.000 2.839) 3.452 2.375 ( -2.115 0.000 -1.380) 2.525 2.711 ( 3.596 0.000 0.040) 3.596 2.826 ( 7.340 0.000 2.235) 7.673 2.942 ( 15.019 0.000 -6.441) 16.342 2.982 ( 8.479 0.000 -6.441) 10.648 3.182 ( 6.730 0.000 1.273) 6.849 3.295 ( -3.536 0.000 -0.802) 3.626 3.633 ( -1.896 0.000 2.190) 2.897 3.727 ( -3.269 0.000 -7.371) 8.063 3.772 ( 5.625 0.000 6.833) 8.850 4.006 ( -0.004 0.000 -5.945) 5.945 4.025 ( -1.424 0.000 -2.098) 2.535 4.398 ( -1.842 0.000 0.420) 1.890 4.409 ( 8.966 0.000 -7.510) 11.696 4.719 ( 2.488 0.000 -0.058) 2.488 5.031 ( -6.956 0.000 0.289) 6.962 5.038 ( 5.952 0.000 -6.143) 8.553 5.427 ( 0.327 0.000 9.033) 9.039 5.759 ( 11.068 0.000 -10.689) 15.387 5.792 ( 8.712 0.000 0.821) 8.751 5.897 ( 2.701 0.000 10.424) 10.768 6.118 ( 12.162 0.000 -3.988) 12.799 6.270 ( -1.787 0.000 -0.718) 1.926 6.450 ( -7.380 0.000 -6.488) 9.827 6.504 ( 12.704 0.000 3.515) 13.182 6.683 ( 0.752 0.000 0.129) 0.763 7.045 ( 0.519 0.000 -1.903) 1.973 7.589 ( 2.196 0.000 -7.158) 7.488 7.805 ( -6.662 0.000 3.002) 7.308 8.765 ( 2.315 0.000 -6.062) 6.489 8.944 ( -14.203 0.000 6.977) 15.824 9.345 ( 10.907 0.000 5.163) 12.067 9.435 ( 4.470 0.000 7.153) 8.434 9.705 ( -4.271 0.000 3.870) 5.763 9.749 ( -10.450 0.000 6.309) 12.207 10.280 ( -11.763 0.000 7.540) 13.972 10.426 ( -10.150 0.000 -3.940) 10.888 10.977 ( 12.401 0.000 -5.820) 13.699 11.237 ( 4.758 0.000 10.615) 11.632 11.340 ( 0.138 0.000 0.620) 0.636 11.546 ( -3.579 0.000 1.675) 3.951 12.093 ( -6.296 0.000 -2.279) 6.696 12.129 ( 2.422 0.000 -6.535) 6.969 12.441 ( -7.937 0.000 4.657) 9.202 12.538 ( -5.348 0.000 -4.316) 6.872 13.952 ( 6.802 0.000 1.312) 6.927 14.057 ( 7.582 0.000 -3.344) 8.287 14.446 ( 11.500 0.000 -2.390) 11.745 14.537 ( 0.619 0.000 10.579) 10.598 20.923 ( 2.740 0.000 -1.119) 2.960 21.247 ( -9.489 0.000 2.505) 9.814 21.847 ( 2.722 0.000 3.717) 4.607 22.036 ( -7.734 0.000 9.699) 12.405 22.135 ( -2.074 0.000 0.240) 2.088 22.261 ( -3.645 0.000 3.054) 4.755 22.552 ( -4.783 0.000 -12.109) 13.019 22.553 ( -0.692 0.000 -4.711) 4.762 23.157 ( 3.934 0.000 -4.382) 5.889 23.265 ( -0.951 0.000 -7.199) 7.261 23.530 ( -0.248 0.000 -0.065) 0.256 23.571 ( -0.926 0.000 -2.878) 3.024 23.843 ( 3.040 0.000 4.518) 5.446 23.910 ( 0.839 0.000 4.060) 4.145 24.409 ( 9.779 0.000 18.530) 20.952 24.819 ( 10.349 0.000 -12.906) 16.543 ======================= Grid point 257 (133/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 15.857 0.000 -5.405) 16.752 1.630 ( -0.639 0.000 -2.735) 2.809 1.638 ( -5.808 0.000 13.180) 14.402 1.769 ( -3.980 0.000 -11.726) 12.383 1.967 ( 2.630 0.000 0.832) 2.758 2.009 ( -0.034 0.000 -0.492) 0.493 2.188 ( 3.509 0.000 6.043) 6.988 2.299 ( -3.631 0.000 -2.766) 4.565 2.774 ( 4.391 0.000 -1.187) 4.549 2.832 ( -2.138 0.000 -1.748) 2.762 3.080 ( 4.464 0.000 2.669) 5.201 3.098 ( 7.130 0.000 -1.934) 7.388 3.265 ( -0.122 0.000 1.179) 1.185 3.266 ( 3.062 0.000 -4.451) 5.402 3.619 ( 0.616 0.000 -4.435) 4.477 3.619 ( -3.426 0.000 2.949) 4.521 3.938 ( 4.594 0.000 -2.165) 5.078 3.957 ( -1.670 0.000 0.236) 1.686 4.063 ( 5.031 0.000 9.123) 10.419 4.280 ( -5.848 0.000 -7.606) 9.594 4.533 ( 12.389 0.000 -2.492) 12.638 4.698 ( -8.853 0.000 2.847) 9.300 4.956 ( -4.676 0.000 3.931) 6.109 4.978 ( 2.631 0.000 -9.430) 9.790 5.626 ( 3.204 0.000 12.731) 13.128 5.759 ( 5.133 0.000 -11.324) 12.433 5.926 ( 8.211 0.000 -1.627) 8.370 5.999 ( -5.398 0.000 8.158) 9.783 6.194 ( -1.110 0.000 0.018) 1.111 6.245 ( -3.265 0.000 -7.882) 8.532 6.361 ( 13.033 0.000 1.243) 13.092 6.563 ( -6.604 0.000 -2.669) 7.123 6.822 ( 9.748 0.000 5.975) 11.433 7.000 ( -4.371 0.000 -2.592) 5.082 7.579 ( 7.536 0.000 -5.822) 9.522 7.688 ( -10.247 0.000 2.399) 10.525 8.746 ( 5.866 0.000 -7.231) 9.311 8.803 ( -12.135 0.000 7.320) 14.172 9.547 ( 8.390 0.000 0.833) 8.432 9.566 ( 5.331 0.000 0.442) 5.349 9.658 ( -5.752 0.000 2.826) 6.408 9.669 ( -7.872 0.000 4.872) 9.258 10.216 ( -5.959 0.000 6.407) 8.750 10.258 ( -2.648 0.000 -5.303) 5.927 11.141 ( 14.545 0.000 -2.513) 14.761 11.349 ( -7.776 0.000 3.154) 8.391 11.392 ( -2.211 0.000 8.575) 8.856 11.419 ( -0.273 0.000 -7.925) 7.930 12.048 ( -0.533 0.000 2.531) 2.586 12.083 ( 1.537 0.000 -5.397) 5.612 12.404 ( -5.779 0.000 7.450) 9.428 12.437 ( 0.662 0.000 -6.393) 6.427 14.057 ( 3.000 0.000 2.223) 3.734 14.098 ( 2.108 0.000 -2.974) 3.646 14.576 ( 9.464 0.000 -5.166) 10.782 14.617 ( -5.499 0.000 8.739) 10.325 20.985 ( 5.793 0.000 -0.166) 5.796 21.106 ( -8.867 0.000 0.408) 8.876 21.917 ( 3.129 0.000 0.510) 3.170 21.980 ( -6.559 0.000 3.126) 7.266 22.169 ( -0.722 0.000 6.499) 6.539 22.242 ( -1.258 0.000 -2.750) 3.024 22.409 ( 1.821 0.000 -3.806) 4.219 22.468 ( -1.577 0.000 -5.294) 5.524 23.175 ( 2.062 0.000 -0.849) 2.229 23.203 ( -0.253 0.000 -2.597) 2.609 23.530 ( -0.028 0.000 0.461) 0.462 23.541 ( -0.100 0.000 -1.273) 1.277 23.927 ( 2.028 0.000 1.835) 2.735 23.949 ( -0.474 0.000 1.549) 1.620 24.691 ( -1.586 0.000 16.799) 16.874 24.800 ( 7.496 0.000 -14.419) 16.251 ======================= Grid point 262 (134/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -1.850 4.435 -9.327) 10.492 0.867 ( 1.850 4.435 9.327) 10.492 1.513 ( -0.149 2.477 -11.650) 11.911 1.513 ( 0.149 2.477 11.650) 11.911 1.898 ( -7.499 -2.652 -7.126) 10.679 1.898 ( 7.499 -2.652 7.126) 10.679 2.078 ( -5.558 -0.791 0.428) 5.631 2.078 ( 5.558 -0.791 -0.428) 5.631 2.587 ( -3.672 -0.172 -6.055) 7.083 2.587 ( 3.672 -0.172 6.055) 7.083 2.749 ( 0.596 3.704 -5.945) 7.030 2.749 ( -0.596 3.704 5.945) 7.030 3.184 ( 6.649 -1.504 -9.514) 11.704 3.184 ( -6.649 -1.504 9.514) 11.704 3.790 ( 1.597 0.042 -3.888) 4.203 3.790 ( -1.597 0.042 3.888) 4.203 4.006 ( 0.042 3.692 -8.298) 9.082 4.006 ( -0.042 3.692 8.298) 9.082 4.244 ( -1.146 6.612 -3.481) 7.560 4.244 ( 1.146 6.612 3.481) 7.560 4.746 ( -6.934 2.460 -2.350) 7.724 4.746 ( 6.934 2.460 2.350) 7.724 5.036 ( 4.307 0.700 -8.536) 9.587 5.036 ( -4.307 0.700 8.536) 9.587 5.287 ( 5.718 -1.241 -5.848) 8.273 5.287 ( -5.718 -1.241 5.848) 8.273 5.451 ( -5.463 1.927 -4.121) 7.109 5.451 ( 5.463 1.927 4.121) 7.109 6.030 ( 0.124 -5.444 -7.485) 9.256 6.030 ( -0.124 -5.444 7.485) 9.256 6.316 ( -5.382 5.565 -6.434) 10.066 6.316 ( 5.382 5.565 6.434) 10.066 7.116 ( -4.056 -0.772 -4.505) 6.111 7.116 ( 4.056 -0.772 4.505) 6.111 7.584 ( 3.398 -3.663 -6.722) 8.376 7.584 ( -3.398 -3.663 6.722) 8.376 8.910 ( 3.344 2.777 -11.179) 11.994 8.910 ( -3.344 2.777 11.179) 11.994 9.052 ( -2.142 2.576 -4.254) 5.415 9.052 ( 2.142 2.576 4.254) 5.415 9.658 ( 0.060 6.562 -3.807) 7.587 9.658 ( -0.060 6.562 3.807) 7.587 10.666 ( 5.330 -4.655 -6.483) 9.597 10.666 ( -5.330 -4.655 6.483) 9.597 11.174 ( 1.458 -2.799 -3.057) 4.394 11.174 ( -1.458 -2.799 3.057) 4.394 11.279 ( -4.998 -0.098 -1.096) 5.118 11.279 ( 4.998 -0.098 1.096) 5.118 12.251 ( -4.901 1.399 -0.608) 5.133 12.251 ( 4.901 1.399 0.608) 5.133 12.956 ( 0.258 -2.701 -5.162) 5.831 12.956 ( -0.258 -2.701 5.162) 5.831 13.654 ( 2.856 -5.674 -2.475) 6.817 13.654 ( -2.856 -5.674 2.475) 6.817 14.028 ( -0.221 0.947 -1.656) 1.921 14.028 ( 0.221 0.947 1.656) 1.921 21.099 ( -2.254 -0.990 -7.406) 7.804 21.099 ( 2.254 -0.990 7.406) 7.804 21.826 ( -2.048 2.378 -4.527) 5.509 21.826 ( 2.048 2.378 4.527) 5.509 22.319 ( -0.332 -8.203 -4.504) 9.364 22.319 ( 0.332 -8.203 4.504) 9.364 22.909 ( -7.508 12.299 -4.150) 14.996 22.909 ( 7.508 12.299 4.150) 14.996 23.167 ( 1.809 -1.225 -2.091) 3.024 23.167 ( -1.809 -1.225 2.091) 3.024 23.524 ( 0.134 -0.556 -2.928) 2.983 23.524 ( -0.134 -0.556 2.928) 2.983 23.720 ( -0.501 4.843 -5.313) 7.207 23.720 ( 0.501 4.843 5.313) 7.207 24.412 ( -13.935 -2.097 -0.539) 14.102 24.412 ( 13.935 -2.097 0.539) 14.102 ======================= Grid point 264 (135/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 24.030 2.932 -2.683) 24.356 1.251 ( 20.598 1.684 11.323) 23.565 1.410 ( 4.664 5.841 -8.590) 11.387 1.631 ( -2.426 0.079 2.982) 3.845 1.775 ( 2.979 0.946 3.661) 4.814 1.951 ( -6.168 1.127 -2.863) 6.893 2.108 ( 6.282 -5.703 4.005) 9.382 2.122 ( 3.939 -1.449 -2.692) 4.987 2.489 ( 0.721 -4.156 -3.106) 5.238 2.656 ( 0.154 -1.417 -6.213) 6.375 2.759 ( 10.005 6.602 0.732) 12.009 2.825 ( 6.192 5.350 -2.940) 8.695 3.193 ( 6.261 -0.077 -8.319) 10.412 3.248 ( -1.052 -0.298 10.629) 10.685 3.705 ( -4.906 0.009 -1.130) 5.035 3.810 ( -3.174 -1.341 0.611) 3.499 3.927 ( 3.605 7.301 -7.930) 11.366 4.127 ( 1.073 -0.610 6.423) 6.540 4.157 ( -1.813 3.099 -4.798) 5.992 4.284 ( -1.050 6.766 4.932) 8.438 4.676 ( 2.099 6.356 -4.587) 8.115 4.759 ( -5.924 6.693 -7.093) 11.411 4.953 ( 1.182 -1.648 -5.335) 5.707 5.154 ( 9.947 -2.704 3.042) 10.748 5.288 ( 2.333 -1.698 0.710) 2.971 5.336 ( 1.447 1.656 3.174) 3.861 5.486 ( 10.221 -1.553 0.217) 10.340 5.607 ( 5.895 2.680 3.606) 7.413 5.972 ( 3.249 -6.243 -4.024) 8.107 6.086 ( -2.353 -2.735 1.236) 3.814 6.223 ( 5.688 4.348 -4.721) 8.576 6.487 ( 7.794 4.009 2.444) 9.099 6.936 ( -6.312 -1.254 -9.464) 11.445 7.160 ( 0.085 1.080 -2.323) 2.563 7.583 ( 3.498 -4.362 -3.972) 6.858 7.656 ( -0.383 -4.580 9.483) 10.538 8.866 ( 5.428 -0.124 -10.763) 12.055 8.982 ( 1.925 5.538 2.428) 6.345 9.060 ( -1.998 3.904 11.554) 12.359 9.144 ( -2.112 0.482 10.934) 11.147 9.662 ( 2.023 4.687 0.611) 5.142 9.767 ( 2.803 7.604 9.469) 12.464 10.531 ( -12.244 -4.610 3.883) 13.648 10.691 ( 1.793 -2.717 -4.975) 5.946 11.013 ( -12.511 -1.066 -1.910) 12.700 11.150 ( -1.333 -0.155 -2.328) 2.687 11.302 ( -0.776 -1.641 8.612) 8.801 11.374 ( 3.553 -2.810 0.293) 4.539 12.165 ( -3.348 1.045 -0.727) 3.582 12.306 ( 0.429 1.085 0.443) 1.248 12.798 ( -9.682 -1.872 -5.673) 11.376 12.898 ( -10.038 -3.448 0.626) 10.633 13.667 ( 3.690 -4.800 0.050) 6.055 13.729 ( 10.510 -5.694 -4.543) 12.788 14.089 ( 7.964 0.453 0.988) 8.038 14.171 ( 10.678 1.658 2.845) 11.174 20.989 ( -1.792 0.514 -4.402) 4.781 21.228 ( 0.274 -3.182 8.665) 9.235 21.755 ( -0.980 2.911 -1.911) 3.617 21.918 ( 0.879 1.392 5.940) 6.164 22.230 ( -4.207 -8.437 -3.212) 9.960 22.346 ( -3.288 -4.641 4.018) 6.964 22.766 ( -4.936 10.160 -1.299) 11.370 22.998 ( -5.805 12.210 6.598) 15.044 23.178 ( 6.239 3.161 -6.408) 9.486 23.314 ( 14.986 -8.296 -0.635) 17.141 23.501 ( 0.097 1.195 -1.219) 1.710 23.559 ( -0.077 -1.676 3.111) 3.535 23.695 ( 3.133 4.422 -0.119) 5.421 23.823 ( 3.861 6.437 5.453) 9.277 24.070 ( -19.317 -0.588 -5.488) 20.090 24.635 ( 15.321 -2.475 -7.049) 17.045 ======================= Grid point 265 (136/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 10.431 0.159 -11.581) 15.587 1.529 ( 15.015 8.699 -6.111) 18.397 1.614 ( 5.692 -0.457 5.779) 8.125 1.703 ( 6.210 1.230 10.522) 12.279 1.812 ( -0.238 0.493 -1.731) 1.816 2.002 ( 4.348 2.504 7.151) 8.736 2.098 ( 6.295 0.251 -7.019) 9.432 2.297 ( 7.018 -6.312 4.814) 10.596 2.493 ( -2.410 -2.705 2.136) 4.206 2.650 ( 12.921 -7.212 -8.542) 17.086 2.884 ( 10.405 7.680 -5.811) 14.178 2.953 ( 10.235 5.859 -0.293) 11.796 3.168 ( 3.864 3.410 -7.957) 9.480 3.353 ( -2.956 1.489 8.959) 9.551 3.631 ( -2.274 -1.736 0.143) 2.864 3.728 ( -5.523 0.494 -0.326) 5.555 3.890 ( 2.893 5.921 -7.568) 10.035 4.055 ( -2.630 -0.611 -3.720) 4.597 4.167 ( 0.158 2.629 -2.576) 3.684 4.390 ( 1.627 4.703 9.048) 10.326 4.482 ( -3.240 3.914 -10.316) 11.500 4.750 ( 7.650 7.394 -9.782) 14.453 4.960 ( 5.535 0.294 -0.168) 5.545 5.154 ( -2.145 0.994 -3.233) 4.005 5.379 ( -0.993 -0.703 4.628) 4.785 5.571 ( 15.429 -2.503 -1.301) 15.684 5.610 ( 7.126 -3.608 2.608) 8.403 5.741 ( 4.748 2.861 3.884) 6.769 6.017 ( 5.436 -3.597 -2.892) 7.131 6.149 ( 10.645 -4.188 2.120) 11.634 6.283 ( 3.913 0.870 -2.010) 4.484 6.624 ( 5.327 3.938 1.254) 6.742 6.702 ( -5.815 -1.474 -10.942) 12.478 7.110 ( -0.268 2.396 -3.605) 4.337 7.577 ( 2.555 -5.193 -5.394) 7.911 7.762 ( -0.787 -4.226 7.483) 8.630 8.806 ( 1.953 -0.798 -7.628) 7.914 9.050 ( -5.127 -0.063 3.858) 6.417 9.166 ( 3.403 5.987 10.273) 12.368 9.290 ( 1.176 2.004 12.947) 13.153 9.703 ( -0.334 2.930 2.578) 3.917 9.897 ( -4.311 7.283 8.851) 12.246 10.389 ( -12.839 -1.884 7.245) 14.862 10.623 ( -7.422 -2.389 -2.189) 8.098 10.855 ( 2.955 0.807 -2.488) 3.947 11.112 ( -0.426 -0.093 0.182) 0.473 11.344 ( -2.272 -0.963 2.135) 3.264 11.456 ( 1.994 -4.369 5.731) 7.478 12.125 ( -0.519 -0.933 -1.772) 2.069 12.272 ( -3.354 2.122 -2.188) 4.532 12.559 ( -11.334 -1.707 -1.994) 11.634 12.701 ( -9.907 -2.459 -3.512) 10.795 13.770 ( 7.730 -4.114 0.459) 8.768 13.869 ( 12.287 -5.786 -4.445) 14.290 14.264 ( 10.818 0.470 0.736) 10.854 14.393 ( 8.756 2.112 5.507) 10.558 20.934 ( -0.008 1.235 -2.083) 2.422 21.283 ( -5.304 -4.141 6.128) 9.101 21.763 ( 1.869 1.567 1.592) 2.913 21.990 ( -2.410 -0.795 7.209) 7.643 22.118 ( -4.172 -5.880 -2.292) 7.565 22.334 ( -3.607 1.622 4.735) 6.170 22.688 ( -2.424 7.863 -3.088) 8.789 22.953 ( -6.703 12.909 2.930) 14.838 23.183 ( 5.738 3.657 -8.683) 11.032 23.390 ( -2.859 -1.981 -6.775) 7.616 23.489 ( 1.118 -4.735 -1.188) 5.008 23.640 ( -0.250 -3.848 1.861) 4.282 23.739 ( -5.164 1.339 -2.818) 6.033 23.820 ( 3.903 -0.033 5.319) 6.598 24.040 ( 13.033 7.250 10.201) 18.069 24.755 ( 12.356 -2.262 -10.244) 16.209 ======================= Grid point 266 (137/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 11.395 -1.096 -7.920) 13.920 1.624 ( -0.399 3.179 -0.099) 3.205 1.662 ( 5.136 3.983 -2.368) 6.918 1.826 ( 1.120 -3.588 -2.350) 4.433 1.955 ( 7.521 3.026 4.135) 9.100 2.045 ( 1.335 -0.132 4.026) 4.243 2.172 ( 2.789 8.973 -1.738) 9.555 2.360 ( -3.857 0.296 0.062) 3.869 2.560 ( 5.599 -8.177 6.259) 11.721 2.810 ( 13.813 -7.814 -7.320) 17.477 3.002 ( 7.870 8.833 -2.812) 12.160 3.063 ( 6.884 4.264 -3.004) 8.637 3.180 ( 6.393 2.135 -3.855) 7.765 3.364 ( -3.390 4.916 4.390) 7.411 3.604 ( -2.914 -6.395 -0.310) 7.034 3.662 ( -0.838 2.061 -1.373) 2.614 3.892 ( 5.113 5.974 -0.503) 7.880 3.991 ( 0.096 -0.033 -2.177) 2.179 4.117 ( -0.601 6.606 -3.074) 7.311 4.390 ( 6.128 -0.303 -7.110) 9.392 4.493 ( -0.538 6.894 0.889) 6.972 4.710 ( -2.380 -0.950 -2.851) 3.834 4.991 ( -0.132 0.205 -2.546) 2.558 5.161 ( 4.829 7.645 -4.627) 10.158 5.419 ( 0.237 -0.409 9.472) 9.484 5.680 ( 10.526 -5.001 -7.428) 13.820 5.826 ( 9.666 1.026 -1.029) 9.775 5.872 ( 1.874 -1.271 9.594) 9.857 6.108 ( 9.369 -2.183 -1.972) 9.820 6.262 ( 1.690 -1.670 -4.614) 5.190 6.386 ( 1.732 -6.537 5.146) 8.497 6.483 ( 1.487 0.018 -9.637) 9.751 6.707 ( 1.728 3.302 1.517) 4.024 7.074 ( 0.056 1.703 -3.171) 3.600 7.548 ( 3.559 -3.137 -5.926) 7.591 7.787 ( -4.472 -1.867 3.355) 5.894 8.750 ( 2.126 -1.657 -6.766) 7.283 8.938 ( -13.372 -0.810 5.306) 14.409 9.382 ( 7.214 2.587 8.320) 11.312 9.469 ( 3.891 2.820 8.232) 9.532 9.702 ( -4.411 2.747 3.933) 6.517 9.847 ( -8.449 7.394 3.625) 11.798 10.283 ( -11.220 0.336 7.648) 13.583 10.419 ( -9.642 -0.783 -3.782) 10.387 10.980 ( 11.647 0.433 -4.069) 12.345 11.190 ( 2.693 -3.341 8.196) 9.251 11.342 ( 1.742 -0.814 -0.136) 1.928 11.523 ( -2.731 -2.454 3.844) 5.316 12.071 ( -3.575 -0.889 -1.135) 3.855 12.164 ( -0.824 2.490 -6.886) 7.369 12.422 ( -7.686 -1.933 4.407) 9.068 12.523 ( -5.113 -1.511 -4.522) 6.991 13.908 ( 6.779 -3.865 1.564) 7.958 13.998 ( 8.783 -5.176 -3.796) 10.879 14.443 ( 10.135 0.469 -0.206) 10.148 14.566 ( 2.452 1.624 6.781) 7.391 20.936 ( 2.178 1.307 -0.555) 2.600 21.216 ( -8.455 -2.840 2.697) 9.318 21.817 ( 1.731 -2.174 0.906) 2.923 21.970 ( -6.708 -6.043 2.579) 9.390 22.110 ( 1.293 2.093 5.123) 5.683 22.366 ( -1.819 7.407 7.795) 10.906 22.581 ( -3.701 5.615 -6.590) 9.416 22.806 ( -6.491 17.529 -8.514) 20.540 23.166 ( 3.821 0.974 -5.687) 6.921 23.247 ( -0.346 -1.776 -6.001) 6.268 23.500 ( 1.356 -2.524 -0.628) 2.933 23.573 ( -1.770 0.098 -1.612) 2.396 23.809 ( 3.385 -2.434 4.181) 5.905 23.911 ( 0.663 -0.676 3.692) 3.811 24.411 ( 8.314 0.512 16.364) 18.362 24.798 ( 9.820 -2.067 -12.219) 15.811 ======================= Grid point 267 (138/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 12.349 -3.461 -3.057) 13.184 1.574 ( -6.704 -3.201 -0.703) 7.462 1.691 ( -2.641 3.344 6.933) 8.138 1.765 ( 2.328 0.674 -10.461) 10.738 2.068 ( 4.294 8.181 1.928) 9.438 2.136 ( -1.354 7.525 0.354) 7.654 2.186 ( 2.753 0.591 3.693) 4.643 2.282 ( -3.690 -1.686 -2.007) 4.526 2.717 ( 2.825 -2.318 7.293) 8.158 2.830 ( 2.456 -2.087 -9.706) 10.227 3.089 ( 3.563 3.526 2.330) 5.528 3.128 ( 3.929 0.373 -3.575) 5.324 3.256 ( 4.824 1.820 1.161) 5.285 3.346 ( -3.022 3.397 -1.226) 4.710 3.577 ( 1.090 -2.364 0.812) 2.727 3.627 ( -1.853 0.774 -1.531) 2.525 3.957 ( 2.963 1.837 -0.859) 3.591 3.996 ( -0.891 2.788 -0.862) 3.051 4.175 ( 5.889 8.785 8.065) 13.300 4.384 ( -4.368 8.191 -8.090) 12.314 4.471 ( 9.505 -3.111 -4.134) 10.821 4.601 ( -9.461 -7.107 1.845) 11.976 5.006 ( 0.861 5.257 3.759) 6.520 5.093 ( -1.058 7.685 -7.224) 10.600 5.613 ( 2.992 -1.340 11.447) 11.907 5.718 ( 5.613 -3.693 -9.073) 11.290 5.933 ( 6.508 0.894 -1.630) 6.768 5.979 ( -3.551 -1.282 7.474) 8.373 6.161 ( 0.013 -3.161 -0.763) 3.252 6.237 ( -4.700 -0.832 -6.728) 8.249 6.355 ( 12.671 -1.170 -0.332) 12.729 6.521 ( -3.978 -4.574 -0.889) 6.127 6.804 ( 7.157 0.346 5.003) 8.739 6.986 ( -5.581 -1.452 -4.595) 7.374 7.588 ( 8.347 1.099 -3.326) 9.052 7.707 ( -8.324 1.234 1.677) 8.580 8.724 ( 5.466 -2.049 -6.585) 8.800 8.789 ( -11.634 -1.431 5.859) 13.105 9.569 ( 7.445 0.783 0.641) 7.514 9.607 ( 1.963 0.883 5.764) 6.153 9.670 ( -3.387 5.547 2.717) 7.044 9.746 ( -6.667 6.826 0.362) 9.549 10.220 ( -5.796 0.435 5.947) 8.315 10.258 ( -2.595 0.039 -4.972) 5.608 11.137 ( 12.356 -0.285 -2.097) 12.536 11.277 ( -5.480 -4.411 4.866) 8.554 11.387 ( 5.018 -1.201 -2.812) 5.876 11.453 ( -7.213 1.312 2.110) 7.629 12.048 ( -0.510 0.211 3.118) 3.167 12.092 ( 0.977 0.955 -5.608) 5.772 12.384 ( -5.646 -1.943 7.203) 9.356 12.418 ( 0.644 -1.805 -6.702) 6.971 14.015 ( 2.709 -3.772 2.599) 5.322 14.052 ( 2.900 -4.198 -3.326) 6.091 14.580 ( 7.929 0.488 -2.489) 8.325 14.631 ( -3.757 0.859 5.359) 6.601 20.992 ( 4.899 0.648 0.116) 4.943 21.097 ( -7.693 -0.876 0.476) 7.757 21.847 ( 2.209 -4.410 -0.363) 4.946 21.894 ( -4.356 -5.370 0.685) 6.948 22.233 ( 2.310 5.258 9.190) 10.837 22.400 ( -3.864 9.266 -7.718) 12.663 22.471 ( -0.589 7.138 8.564) 11.165 22.610 ( -1.076 13.051 -12.027) 17.780 23.179 ( 1.934 0.363 -0.609) 2.060 23.205 ( 0.126 0.256 -2.322) 2.339 23.517 ( 1.202 -1.010 -0.106) 1.573 23.539 ( -1.181 -0.127 -0.495) 1.287 23.900 ( 2.469 -2.361 2.205) 4.066 23.937 ( -0.937 -1.549 0.816) 1.986 24.668 ( -1.043 -2.002 15.536) 15.699 24.778 ( 6.716 -2.162 -13.665) 15.379 ======================= Grid point 272 (139/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -1.392 7.556 -7.154) 10.498 0.993 ( 1.392 7.556 7.154) 10.498 1.553 ( 0.952 1.626 -6.739) 6.998 1.553 ( -0.952 1.626 6.739) 6.998 1.825 ( -5.530 -4.269 -5.556) 8.926 1.825 ( 5.530 -4.269 5.556) 8.926 2.018 ( 4.213 -5.242 -3.430) 7.549 2.018 ( -4.213 -5.242 3.430) 7.549 2.605 ( -7.421 2.005 -4.365) 8.840 2.605 ( 7.421 2.005 4.365) 8.840 2.810 ( 2.231 1.621 -5.822) 6.442 2.810 ( -2.231 1.621 5.822) 6.442 3.207 ( 5.046 3.773 -5.677) 8.481 3.207 ( -5.046 3.773 5.677) 8.481 3.736 ( -1.585 -4.573 -5.520) 7.341 3.736 ( 1.585 -4.573 5.520) 7.341 4.130 ( 5.438 8.058 -6.638) 11.772 4.130 ( -5.438 8.058 6.638) 11.772 4.358 ( -1.166 3.464 -3.890) 5.338 4.358 ( 1.166 3.464 3.890) 5.338 4.774 ( -2.572 -1.344 -2.669) 3.943 4.774 ( 2.572 -1.344 2.669) 3.943 5.087 ( 6.622 5.463 -6.407) 10.713 5.087 ( -6.622 5.463 6.407) 10.713 5.280 ( 0.872 0.701 -4.701) 4.832 5.280 ( -0.872 0.701 4.701) 4.832 5.499 ( -5.771 2.128 -4.356) 7.536 5.499 ( 5.771 2.128 4.356) 7.536 5.894 ( 0.420 -7.259 -6.688) 9.879 5.894 ( -0.420 -7.259 6.688) 9.879 6.464 ( -2.099 8.761 -6.766) 11.267 6.464 ( 2.099 8.761 6.766) 11.267 7.098 ( -5.113 -0.878 -4.550) 6.900 7.098 ( 5.113 -0.878 4.550) 6.900 7.469 ( 4.518 -7.632 -6.887) 11.229 7.469 ( -4.518 -7.632 6.887) 11.229 8.981 ( 5.004 4.043 -14.770) 16.110 8.981 ( -5.004 4.043 14.770) 16.110 9.126 ( 2.501 4.162 -8.356) 9.665 9.126 ( -2.501 4.162 8.356) 9.665 9.834 ( 0.052 10.682 -4.746) 11.689 9.834 ( -0.052 10.682 4.746) 11.689 10.533 ( 0.686 -8.495 -6.461) 10.695 10.533 ( -0.686 -8.495 6.461) 10.695 11.126 ( -1.210 -1.580 -0.105) 1.993 11.126 ( 1.210 -1.580 0.105) 1.993 11.258 ( -3.533 -1.919 -1.156) 4.183 11.258 ( 3.533 -1.919 1.156) 4.183 12.286 ( -3.918 1.919 -0.663) 4.413 12.286 ( 3.918 1.919 0.663) 4.413 12.880 ( 0.575 -4.485 -3.381) 5.646 12.880 ( -0.575 -4.485 3.381) 5.646 13.546 ( 2.999 -4.285 -3.183) 6.123 13.546 ( -2.999 -4.285 3.183) 6.123 14.038 ( -0.893 0.120 -1.188) 1.491 14.038 ( 0.893 0.120 1.188) 1.491 21.082 ( -0.739 -0.549 -5.510) 5.587 21.082 ( 0.739 -0.549 5.510) 5.587 21.862 ( -1.225 0.677 -3.212) 3.504 21.862 ( 1.225 0.677 3.212) 3.504 22.211 ( -0.527 -2.319 -5.789) 6.258 22.211 ( 0.527 -2.319 5.789) 6.258 23.008 ( -2.386 -2.170 -3.038) 4.431 23.008 ( 2.386 -2.170 3.038) 4.431 23.238 ( 6.948 7.230 -4.983) 11.197 23.238 ( -6.948 7.230 4.983) 11.197 23.537 ( -0.086 1.657 -0.241) 1.676 23.537 ( 0.086 1.657 0.241) 1.676 23.843 ( -1.530 7.656 -6.782) 10.342 23.843 ( 1.530 7.656 6.782) 10.342 24.344 ( -7.007 -4.851 -4.985) 9.873 24.344 ( 7.007 -4.851 4.985) 9.873 ======================= Grid point 274 (140/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 20.215 6.511 -2.446) 21.378 1.320 ( 19.650 4.714 8.159) 21.792 1.523 ( 2.518 5.182 -1.297) 5.906 1.626 ( 0.302 -0.400 0.553) 0.746 1.755 ( 4.370 -2.841 4.229) 6.712 1.929 ( -1.565 -3.473 -0.689) 3.871 1.992 ( 0.672 -5.041 3.541) 6.197 2.073 ( 6.741 -5.091 -2.888) 8.927 2.431 ( -3.692 1.001 -3.319) 5.064 2.643 ( -3.206 -0.794 -1.593) 3.666 2.877 ( 6.604 0.940 -3.506) 7.536 2.899 ( 12.588 4.615 -1.933) 13.546 3.255 ( 5.100 4.184 -1.519) 6.770 3.279 ( 5.656 5.253 3.423) 8.444 3.644 ( -1.997 -4.054 -4.420) 6.321 3.805 ( -0.331 -1.565 1.514) 2.202 4.111 ( -1.665 3.320 3.599) 5.172 4.128 ( -0.049 7.346 -4.819) 8.785 4.211 ( -8.867 3.851 -0.733) 9.695 4.404 ( 0.854 4.550 1.834) 4.980 4.812 ( 9.029 1.387 -1.706) 9.293 4.845 ( -4.321 -5.493 -5.101) 8.652 4.901 ( -4.667 4.652 -5.914) 8.854 5.139 ( 10.557 4.544 -1.685) 11.616 5.274 ( 1.987 -0.388 -2.326) 3.083 5.392 ( 2.778 3.086 0.640) 4.202 5.472 ( 7.766 0.397 1.933) 8.012 5.663 ( 7.180 2.004 3.118) 8.080 5.828 ( 1.685 -6.890 -4.459) 8.379 5.979 ( 3.657 -6.731 0.985) 7.723 6.368 ( 1.426 9.506 -6.124) 11.397 6.597 ( 5.587 6.326 2.784) 8.887 6.926 ( -5.921 0.904 -7.533) 9.624 7.178 ( 1.975 0.899 -1.596) 2.693 7.453 ( 2.533 -8.552 -4.074) 9.806 7.527 ( 0.618 -8.086 7.194) 10.840 8.886 ( 2.416 2.431 -10.496) 11.041 9.069 ( -2.010 0.424 0.886) 2.238 9.129 ( 0.281 4.931 11.709) 12.708 9.210 ( -2.487 5.055 11.643) 12.934 9.818 ( 1.654 10.239 -1.254) 10.447 9.946 ( 2.148 10.172 9.686) 14.209 10.411 ( -7.780 -7.074 1.742) 10.659 10.601 ( -0.171 -6.657 0.815) 6.709 11.007 ( -8.949 0.890 -0.731) 9.023 11.146 ( -0.871 0.032 -1.483) 1.720 11.236 ( 0.020 -4.649 5.356) 7.093 11.314 ( 0.702 -3.178 0.354) 3.274 12.201 ( -4.633 2.547 -0.541) 5.315 12.326 ( -0.165 0.609 0.715) 0.953 12.747 ( -9.182 -2.909 -4.684) 10.710 12.808 ( -8.700 -4.976 -0.588) 10.039 13.575 ( 5.217 -3.604 -0.629) 6.372 13.619 ( 10.048 -4.735 -4.316) 11.917 14.105 ( 8.186 0.968 1.338) 8.351 14.181 ( 11.260 -0.543 2.359) 11.518 21.009 ( -1.363 1.504 -2.859) 3.506 21.159 ( -0.835 -3.363 6.093) 7.009 21.811 ( -1.027 2.035 -1.464) 2.709 21.918 ( -0.211 -1.812 3.610) 4.045 22.136 ( -1.161 -0.249 -3.404) 3.605 22.290 ( -0.885 -1.087 7.668) 7.795 22.917 ( -3.439 3.756 -0.202) 5.097 23.124 ( 2.845 -4.567 -0.899) 5.455 23.185 ( -0.225 3.085 1.264) 3.341 23.302 ( 5.470 5.373 -1.491) 7.811 23.535 ( 0.447 1.938 -1.665) 2.594 23.558 ( 1.617 2.542 0.410) 3.040 23.769 ( 0.099 3.482 -1.422) 3.763 23.990 ( 5.869 9.802 6.312) 13.053 24.046 ( -16.084 -1.836 -4.724) 16.864 24.556 ( 13.487 -5.613 -4.534) 15.296 ======================= Grid point 275 (141/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.137 6.880 -8.977) 13.933 1.618 ( 7.185 0.192 2.221) 7.523 1.669 ( 9.923 4.450 -2.404) 11.138 1.714 ( 7.468 0.480 8.653) 11.440 1.844 ( 1.576 1.958 -2.055) 3.247 1.986 ( -1.107 -3.533 2.252) 4.334 2.069 ( 13.724 -3.866 4.795) 15.043 2.195 ( 5.476 -3.307 5.472) 8.418 2.462 ( 9.842 -2.275 -1.552) 10.220 2.571 ( -2.117 1.884 -2.123) 3.541 2.938 ( 9.270 0.384 -4.427) 10.280 3.089 ( 11.566 3.945 -2.951) 12.572 3.290 ( 5.480 8.063 -6.917) 11.953 3.416 ( 1.576 4.901 6.092) 7.976 3.563 ( -3.751 -2.949 -0.602) 4.809 3.757 ( -1.723 0.819 -3.941) 4.378 4.028 ( -2.300 3.779 -6.564) 7.916 4.043 ( -5.361 -0.667 -2.082) 5.790 4.197 ( 2.604 4.779 2.532) 6.003 4.476 ( 2.149 3.169 5.571) 6.760 4.589 ( -7.155 5.528 -8.802) 12.619 4.819 ( 0.828 -4.397 -8.695) 9.779 4.968 ( 10.739 2.936 -3.464) 11.659 5.205 ( 4.031 2.736 -3.405) 5.944 5.372 ( 3.959 -0.007 2.017) 4.443 5.530 ( 13.046 -1.541 3.169) 13.514 5.587 ( 5.580 2.312 -3.436) 6.949 5.800 ( 4.281 2.595 2.889) 5.780 5.864 ( 5.986 -9.697 0.736) 11.420 6.064 ( 8.479 -5.116 -2.449) 10.201 6.344 ( 2.866 6.102 -5.020) 8.405 6.656 ( -0.714 -0.826 -6.788) 6.875 6.783 ( 0.644 9.454 -1.412) 9.581 7.152 ( 0.148 1.780 -3.974) 4.357 7.452 ( 4.539 -6.981 -5.281) 9.860 7.643 ( 0.768 -7.753 7.968) 11.144 8.794 ( 1.443 0.327 -9.308) 9.425 9.025 ( -4.523 -2.912 -0.870) 5.449 9.260 ( -4.279 3.568 16.726) 17.630 9.363 ( 1.634 4.001 12.054) 12.805 9.834 ( 0.169 9.604 0.700) 9.631 10.062 ( -4.089 9.025 8.223) 12.876 10.342 ( -7.872 -2.946 7.403) 11.201 10.547 ( -6.510 -5.238 -0.883) 8.402 10.902 ( 0.722 4.193 -0.588) 4.295 11.110 ( -1.846 -0.086 0.872) 2.044 11.297 ( -1.089 -3.766 -0.816) 4.004 11.342 ( 1.987 -6.442 7.091) 9.784 12.132 ( -3.123 1.851 -0.402) 3.652 12.306 ( -1.749 0.819 -1.242) 2.296 12.518 ( -11.382 -1.998 -2.719) 11.872 12.635 ( -8.086 -3.830 -3.402) 9.572 13.688 ( 8.813 -3.383 -0.724) 9.468 13.753 ( 12.352 -5.206 -4.790) 14.234 14.288 ( 10.485 1.736 1.720) 10.766 14.407 ( 10.286 -0.689 3.519) 10.894 20.971 ( -0.530 2.386 -0.746) 2.556 21.187 ( -4.154 -4.843 4.853) 8.016 21.792 ( -0.159 0.883 -0.622) 1.092 21.923 ( -3.359 -4.434 1.690) 5.813 22.117 ( 1.165 4.718 1.507) 5.088 22.377 ( -1.317 1.950 9.722) 10.002 22.858 ( -2.838 7.588 -2.554) 8.494 23.106 ( -1.349 3.320 1.574) 3.914 23.223 ( 4.902 -3.363 -5.541) 8.127 23.382 ( 2.353 -4.190 0.484) 4.830 23.448 ( -3.823 8.731 -8.351) 12.672 23.594 ( 0.172 -0.568 1.113) 1.261 23.773 ( -5.896 1.731 -3.786) 7.217 23.810 ( 2.047 -0.955 3.272) 3.976 24.198 ( 8.025 8.342 8.547) 14.389 24.682 ( 11.021 -5.158 -7.652) 14.374 ======================= Grid point 276 (142/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.354 5.716 -4.961) 9.882 1.648 ( -1.742 -0.502 -2.699) 3.251 1.726 ( 3.643 2.412 -3.177) 5.403 1.815 ( 3.703 0.343 -5.911) 6.983 1.983 ( 7.048 -0.397 7.320) 10.170 2.066 ( 3.680 1.963 6.620) 7.824 2.219 ( 3.176 -1.997 0.417) 3.775 2.360 ( -2.257 -4.964 1.767) 5.732 2.547 ( 5.191 8.663 6.973) 12.272 2.679 ( 13.471 -3.873 -3.057) 14.346 3.069 ( 6.983 0.812 1.216) 7.134 3.181 ( 6.339 3.751 -6.057) 9.536 3.281 ( 5.978 7.094 -8.590) 12.643 3.451 ( -4.656 2.935 3.079) 6.307 3.515 ( -3.425 -0.717 4.420) 5.638 3.689 ( 1.109 -0.485 -6.861) 6.967 3.961 ( 0.675 0.940 -0.999) 1.529 3.984 ( 2.248 -0.907 -1.314) 2.757 4.257 ( 2.040 6.916 -0.309) 7.217 4.445 ( 1.969 5.482 -6.440) 8.683 4.558 ( -0.744 -0.655 2.493) 2.683 4.694 ( -2.836 -1.289 -8.653) 9.197 5.038 ( 3.646 4.150 -0.225) 5.529 5.315 ( 9.059 6.654 -5.883) 12.687 5.407 ( -1.408 -1.446 7.368) 7.639 5.621 ( 7.217 -0.415 -6.886) 9.984 5.791 ( 11.281 -2.094 3.634) 12.035 5.895 ( 2.579 1.512 3.007) 4.240 6.002 ( 6.293 -8.059 4.640) 11.228 6.152 ( 5.721 -7.714 -4.998) 10.826 6.338 ( 2.632 2.562 -2.904) 4.682 6.491 ( -2.027 0.534 -10.372) 10.582 6.834 ( 2.539 8.981 0.754) 9.364 7.088 ( -2.000 0.136 -4.686) 5.097 7.494 ( 7.464 -2.277 -3.222) 8.442 7.720 ( -1.574 -5.143 5.015) 7.354 8.711 ( 1.837 -1.406 -8.020) 8.347 8.899 ( -10.054 -3.306 0.859) 10.619 9.416 ( -0.525 1.161 14.213) 14.270 9.516 ( 1.276 1.097 8.326) 8.494 9.833 ( -2.052 9.410 2.134) 9.865 10.024 ( -7.204 9.805 2.772) 12.479 10.290 ( -9.295 -0.151 6.738) 11.481 10.389 ( -7.833 -2.289 -2.874) 8.652 11.003 ( 9.310 2.153 -1.114) 9.621 11.141 ( 1.082 -1.162 5.361) 5.591 11.291 ( 2.484 -3.955 -1.235) 4.831 11.445 ( -1.009 -5.359 6.584) 8.549 12.081 ( -3.538 2.089 1.180) 4.274 12.222 ( -1.616 3.320 -7.243) 8.129 12.364 ( -7.532 -3.744 3.882) 9.264 12.476 ( -4.568 -3.128 -5.086) 7.518 13.827 ( 7.260 -3.547 0.959) 8.137 13.886 ( 9.929 -5.264 -4.281) 12.026 14.468 ( 8.702 1.757 1.189) 8.957 14.577 ( 4.537 -0.551 3.596) 5.816 20.972 ( 0.866 2.219 0.451) 2.424 21.148 ( -5.850 -3.627 2.688) 7.389 21.780 ( 0.124 -1.349 -1.185) 1.800 21.867 ( -3.985 -4.156 0.022) 5.758 22.207 ( 3.097 7.270 6.531) 10.251 22.488 ( -1.037 4.198 11.070) 11.885 22.747 ( -3.941 9.297 -5.678) 11.585 23.101 ( -6.436 8.405 -4.851) 11.645 23.161 ( -0.012 -3.211 -5.215) 6.125 23.245 ( 4.138 3.845 -8.387) 10.112 23.462 ( 2.441 0.416 1.045) 2.688 23.576 ( -1.422 0.418 -0.545) 1.579 23.771 ( 2.376 -0.958 2.434) 3.534 23.873 ( 0.818 -2.892 2.241) 3.749 24.441 ( 5.411 2.561 11.300) 12.788 24.735 ( 8.378 -4.332 -9.664) 13.504 ======================= Grid point 277 (143/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 6.809 2.585 -0.560) 7.304 1.534 ( -5.684 -0.462 -3.713) 6.805 1.758 ( 0.009 2.997 3.210) 4.392 1.794 ( 2.951 1.647 -6.284) 7.135 2.138 ( 3.537 -2.457 3.868) 5.788 2.191 ( 1.779 0.919 2.659) 3.329 2.234 ( -1.715 -0.666 1.610) 2.445 2.283 ( -1.385 2.953 -3.664) 4.906 2.727 ( 1.444 3.013 9.377) 9.954 2.794 ( 5.415 -0.454 -5.438) 7.688 3.148 ( 0.977 1.797 1.478) 2.524 3.173 ( 3.083 3.506 -5.687) 7.358 3.310 ( 5.432 3.516 -2.921) 7.099 3.378 ( -5.198 1.229 0.443) 5.360 3.559 ( -1.502 -0.497 7.643) 7.805 3.626 ( 1.949 -1.668 -7.612) 8.032 3.996 ( 1.897 1.923 2.853) 3.929 4.041 ( 1.614 1.564 -0.793) 2.383 4.291 ( 5.353 2.143 0.910) 5.837 4.453 ( -2.876 -1.624 -6.952) 7.697 4.489 ( -0.373 2.436 2.705) 3.659 4.569 ( -1.753 5.415 -4.759) 7.419 5.131 ( 1.581 7.073 7.414) 10.368 5.252 ( -0.702 8.200 -8.526) 11.850 5.556 ( 2.227 -4.652 8.353) 9.817 5.637 ( 4.298 -4.001 -7.382) 9.433 5.952 ( 4.412 0.428 -1.358) 4.636 5.969 ( 0.525 0.115 5.546) 5.572 6.083 ( 1.212 -4.062 1.837) 4.620 6.198 ( -2.338 -4.065 -2.444) 5.288 6.311 ( 7.552 -1.715 -3.017) 8.311 6.417 ( -0.259 -4.200 -3.398) 5.408 6.880 ( 2.576 6.798 1.293) 7.384 6.975 ( -4.707 1.421 -3.599) 6.093 7.607 ( 8.968 0.120 -1.822) 9.152 7.708 ( -5.635 -1.717 2.586) 6.433 8.677 ( 5.157 -2.071 -5.988) 8.170 8.748 ( -10.072 -2.491 3.283) 10.882 9.557 ( 1.909 -1.382 5.504) 5.988 9.596 ( -1.043 -1.418 3.485) 3.905 9.847 ( 1.031 10.141 2.460) 10.486 9.925 ( -5.322 9.822 -0.919) 11.209 10.230 ( -4.604 0.332 3.799) 5.979 10.257 ( -2.714 -0.230 -3.397) 4.354 11.140 ( 8.906 0.848 -1.537) 9.078 11.215 ( -3.118 -1.264 5.034) 6.055 11.342 ( 7.223 -3.254 -2.971) 8.461 11.438 ( -7.210 -2.869 3.566) 8.540 12.070 ( -1.470 2.298 4.503) 5.265 12.126 ( 0.338 2.502 -6.386) 6.867 12.327 ( -5.160 -3.707 6.648) 9.196 12.365 ( 0.608 -3.448 -7.298) 8.095 13.932 ( 2.415 -3.897 2.504) 5.224 13.957 ( 4.060 -4.619 -3.499) 7.076 14.594 ( 5.736 0.898 -0.345) 5.816 14.639 ( -1.406 -0.053 2.327) 2.719 21.009 ( 2.876 1.031 0.477) 3.092 21.075 ( -5.019 -1.136 0.680) 5.191 21.777 ( 1.368 -2.556 -0.867) 3.026 21.808 ( -2.977 -3.388 0.087) 4.511 22.363 ( 4.187 7.808 8.420) 12.222 22.530 ( -4.362 6.031 -4.195) 8.544 22.684 ( -0.179 9.566 8.700) 12.932 22.858 ( -3.137 8.361 -13.637) 16.301 23.192 ( 1.530 1.520 1.352) 2.546 23.225 ( 1.114 2.031 -3.317) 4.046 23.509 ( 1.945 0.831 0.754) 2.246 23.546 ( -1.575 1.070 -0.525) 1.975 23.843 ( 2.180 -2.947 2.195) 4.272 23.885 ( -0.840 -3.400 -0.248) 3.511 24.627 ( -0.225 -1.663 11.587) 11.708 24.720 ( 5.011 -3.410 -10.809) 12.392 ======================= Grid point 282 (144/148) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.245 4.142 -2.813) 5.159 1.124 ( 1.245 4.142 2.813) 5.159 1.582 ( 2.503 1.035 -2.987) 4.032 1.582 ( -2.503 1.035 2.987) 4.032 1.757 ( -2.142 -1.676 -4.196) 5.000 1.757 ( 2.142 -1.676 4.196) 5.000 1.907 ( 2.032 -4.364 -3.217) 5.790 1.907 ( -2.032 -4.364 3.217) 5.790 2.648 ( -3.138 1.644 -0.759) 3.623 2.648 ( 3.138 1.644 0.759) 3.623 2.814 ( 1.725 -0.633 -1.587) 2.428 2.814 ( -1.725 -0.633 1.587) 2.428 3.285 ( 2.447 2.688 -1.205) 3.829 3.285 ( -2.447 2.688 1.205) 3.829 3.658 ( -1.219 -2.327 -3.162) 4.111 3.658 ( 1.219 -2.327 3.162) 4.111 4.287 ( -0.218 6.520 -2.642) 7.039 4.287 ( 0.218 6.520 2.642) 7.039 4.380 ( -4.832 -0.977 -1.661) 5.202 4.380 ( 4.832 -0.977 1.661) 5.202 4.701 ( -2.254 -3.791 -0.128) 4.413 4.701 ( 2.254 -3.791 0.128) 4.413 5.196 ( -4.842 2.795 -0.844) 5.654 5.196 ( 4.842 2.795 0.844) 5.654 5.341 ( -2.423 5.660 -6.702) 9.101 5.341 ( 2.423 5.660 6.702) 9.101 5.497 ( -4.030 -2.873 -4.550) 6.723 5.497 ( 4.030 -2.873 4.550) 6.723 5.779 ( -0.151 -3.232 -2.919) 4.358 5.779 ( 0.151 -3.232 2.919) 4.358 6.632 ( -0.233 6.180 -4.090) 7.414 6.632 ( 0.233 6.180 4.090) 7.414 7.092 ( -4.494 0.440 -2.307) 5.071 7.092 ( 4.494 0.440 2.307) 5.071 7.309 ( 2.843 -6.620 -4.195) 8.337 7.309 ( -2.843 -6.620 4.195) 8.337 9.056 ( 3.498 2.663 -9.167) 10.166 9.056 ( -3.498 2.663 9.167) 10.166 9.184 ( 2.933 1.295 -7.346) 8.015 9.184 ( -2.933 1.295 7.346) 8.015 10.069 ( -0.064 12.199 -4.712) 13.078 10.069 ( 0.064 12.199 4.712) 13.078 10.332 ( -0.566 -11.171 -5.600) 12.509 10.332 ( 0.566 -11.171 5.600) 12.509 11.116 ( -2.745 0.362 0.245) 2.780 11.116 ( 2.745 0.362 -0.245) 2.780 11.215 ( -2.474 -1.816 -0.722) 3.153 11.215 ( 2.474 -1.816 0.722) 3.153 12.318 ( -1.627 1.038 -0.319) 1.956 12.318 ( 1.627 1.038 0.319) 1.956 12.803 ( 0.232 -2.436 -1.040) 2.659 12.803 ( -0.232 -2.436 1.040) 2.659 13.492 ( 1.380 -1.253 -1.376) 2.317 13.492 ( -1.380 -1.253 1.376) 2.317 14.037 ( -0.384 -0.112 -0.434) 0.590 14.037 ( 0.384 -0.112 0.434) 0.590 21.076 ( -0.088 -0.082 -2.077) 2.080 21.076 ( 0.088 -0.082 2.077) 2.080 21.858 ( -0.319 -0.515 -1.039) 1.203 21.858 ( 0.319 -0.515 1.039) 1.203 22.203 ( -0.320 0.503 -2.790) 2.853 22.203 ( 0.320 0.503 2.790) 2.853 22.953 ( 0.268 -1.917 -1.534) 2.470 22.953 ( -0.268 -1.917 1.534) 2.470 23.337 ( 1.822 2.294 -1.274) 3.194 23.337 ( -1.822 2.294 1.274) 3.194 23.569 ( -0.662 0.973 -0.531) 1.290 23.569 ( 0.662 0.973 0.531) 1.290 24.023 ( -2.075 9.606 -8.872) 13.240 24.023 ( 2.075 9.606 8.872) 13.240 24.216 ( -3.249 -7.807 -7.963) 11.615 24.216 ( 3.249 -7.807 7.963) 11.615 ======================= Grid point 284 (145/148) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 17.071 6.623 0.601) 18.321 1.373 ( 18.418 -1.354 3.241) 18.750 1.613 ( -1.580 2.812 4.280) 5.360 1.625 ( 2.293 0.554 2.453) 3.403 1.729 ( 8.255 2.511 -1.510) 8.760 1.844 ( 5.227 -5.406 -1.520) 7.671 1.904 ( -1.254 -2.763 1.999) 3.634 1.941 ( 2.772 -5.518 2.330) 6.600 2.519 ( -6.192 5.731 -0.340) 8.443 2.609 ( -3.487 -2.913 -0.876) 4.627 2.882 ( 8.051 1.076 -4.239) 9.162 2.925 ( 10.735 -1.924 -1.771) 11.049 3.336 ( 5.251 4.292 2.433) 7.205 3.382 ( 7.723 1.389 0.732) 7.881 3.619 ( 1.437 2.881 -4.587) 5.604 3.723 ( 2.785 -5.755 -0.168) 6.396 4.163 ( -9.757 2.419 3.100) 10.519 4.185 ( -10.234 0.067 0.235) 10.237 4.408 ( 2.625 11.458 -0.759) 11.779 4.498 ( 4.878 5.810 -1.945) 7.832 4.659 ( 0.229 -10.212 -1.761) 10.365 4.693 ( 2.891 -8.790 -5.708) 10.873 5.072 ( -4.656 8.816 -4.329) 10.869 5.214 ( -2.062 -4.766 -2.697) 5.851 5.302 ( 8.734 7.621 -4.613) 12.476 5.411 ( 4.733 -2.344 -3.641) 6.415 5.521 ( 7.481 4.485 2.463) 9.063 5.625 ( 6.865 -5.300 -0.713) 8.702 5.776 ( 3.383 1.829 -1.034) 3.983 5.852 ( 5.687 -5.406 -0.433) 7.858 6.570 ( 0.023 9.161 -4.928) 10.402 6.676 ( 1.842 -0.445 -1.961) 2.727 7.016 ( -2.370 8.849 -0.406) 9.170 7.209 ( 5.882 -0.035 1.455) 6.060 7.253 ( -1.608 -8.016 -2.965) 8.697 7.351 ( 2.717 -8.595 1.683) 9.170 8.960 ( -0.499 4.451 -8.441) 9.555 9.038 ( -2.827 -2.905 -2.431) 4.726 9.229 ( -0.579 4.020 8.937) 9.817 9.270 ( -2.145 0.328 11.716) 11.915 10.038 ( 0.206 10.972 -0.187) 10.976 10.164 ( 0.402 9.497 8.236) 12.577 10.258 ( -3.207 -6.354 1.543) 7.283 10.421 ( -0.505 -10.969 5.297) 12.192 11.052 ( -5.170 3.434 1.184) 6.318 11.136 ( -3.381 -4.614 2.803) 6.371 11.171 ( 0.785 2.369 -1.152) 2.749 11.241 ( -0.119 -3.979 -0.324) 3.994 12.263 ( -4.212 3.365 -0.002) 5.391 12.318 ( -2.049 -1.672 0.582) 2.708 12.702 ( -8.119 -0.977 -3.075) 8.737 12.723 ( -7.561 -3.005 -1.720) 8.317 13.533 ( 6.639 -0.554 -1.808) 6.903 13.550 ( 8.525 -2.124 -3.375) 9.411 14.128 ( 9.237 1.370 1.765) 9.503 14.158 ( 10.561 -1.529 1.997) 10.856 21.048 ( -1.286 2.284 -0.405) 2.652 21.098 ( -1.327 -2.765 2.800) 4.153 21.836 ( -1.076 1.001 -0.483) 1.547 21.869 ( -0.784 -2.333 0.868) 2.610 22.192 ( 0.695 4.410 0.804) 4.537 22.266 ( 0.732 -2.328 5.888) 6.374 22.952 ( 1.665 1.423 -0.287) 2.209 23.010 ( 4.703 -4.556 -0.292) 6.555 23.280 ( -5.702 3.977 1.834) 7.189 23.334 ( -2.150 -1.217 0.545) 2.530 23.582 ( 3.099 2.429 -1.309) 4.150 23.607 ( 3.077 0.601 -0.618) 3.195 23.865 ( -3.682 6.163 -5.826) 9.245 23.980 ( -9.614 -4.664 -5.660) 12.092 24.205 ( 6.736 10.890 4.954) 13.729 24.408 ( 10.252 -9.024 -0.129) 13.658 ======================= Grid point 285 (146/148) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 6.744 8.256 -6.102) 12.283 1.591 ( 8.049 -3.186 -2.030) 8.892 1.708 ( 4.295 0.281 2.581) 5.019 1.724 ( 5.302 -0.882 4.107) 6.764 1.883 ( 4.730 2.090 -0.670) 5.215 1.922 ( 1.305 -1.079 4.787) 5.077 2.002 ( 12.409 -0.981 4.843) 13.356 2.085 ( 9.988 -7.097 4.017) 12.894 2.512 ( 4.279 5.604 2.581) 7.508 2.592 ( 1.344 -1.426 1.727) 2.612 2.969 ( 8.845 3.428 -3.378) 10.070 3.065 ( 9.110 -4.856 -2.640) 10.656 3.451 ( 5.149 6.293 -0.606) 8.153 3.507 ( 3.253 0.988 2.740) 4.367 3.566 ( -0.059 5.306 -5.599) 7.714 3.708 ( 1.110 -6.093 -6.907) 9.277 4.028 ( -8.189 -0.074 0.066) 8.190 4.036 ( -7.986 -0.540 -0.064) 8.005 4.391 ( 1.777 11.281 -3.623) 11.981 4.534 ( 1.221 1.721 -1.101) 2.380 4.621 ( 0.212 -2.961 -2.764) 4.057 4.680 ( 1.994 -6.369 -6.924) 9.617 5.046 ( 6.087 5.165 -2.253) 8.295 5.166 ( 3.199 -5.770 -3.217) 7.340 5.435 ( 10.095 5.588 -2.303) 11.766 5.518 ( 10.783 -1.405 0.689) 10.896 5.637 ( 5.036 1.810 -2.708) 5.997 5.696 ( 5.050 -5.842 -1.304) 7.832 5.854 ( 5.581 3.498 0.363) 6.596 5.950 ( 7.781 -5.715 -2.380) 9.943 6.505 ( 0.148 8.213 -5.884) 10.104 6.622 ( -1.136 -3.262 -7.149) 7.940 7.005 ( 2.195 11.516 -2.005) 11.894 7.174 ( -0.641 -2.307 -5.280) 5.798 7.331 ( 7.201 -1.374 0.302) 7.337 7.458 ( 2.719 -9.988 7.181) 12.599 8.839 ( -0.907 4.124 -8.936) 9.884 8.939 ( -3.198 -5.229 -5.366) 8.147 9.334 ( -5.009 3.751 15.810) 17.003 9.391 ( -2.416 -1.293 13.222) 13.503 10.051 ( -0.388 11.164 1.247) 11.240 10.240 ( -4.216 -1.926 7.413) 8.743 10.256 ( -2.990 3.901 4.740) 6.828 10.420 ( -6.168 -7.337 3.591) 10.236 11.016 ( -0.277 6.488 1.498) 6.665 11.105 ( -2.035 -1.156 1.369) 2.712 11.214 ( -0.882 -3.406 -0.449) 3.547 11.220 ( 1.397 -4.812 4.593) 6.797 12.197 ( -3.893 4.357 0.657) 5.880 12.283 ( -2.652 -3.326 0.654) 4.304 12.506 ( -9.403 1.270 -3.827) 10.231 12.559 ( -7.497 -3.547 -3.553) 9.023 13.649 ( 10.000 -0.360 -2.496) 10.313 13.673 ( 11.265 -2.661 -3.957) 12.232 14.329 ( 10.638 2.282 2.357) 11.132 14.375 ( 10.798 -2.201 2.699) 11.346 21.028 ( -1.481 3.220 0.936) 3.666 21.099 ( -2.805 -3.946 2.904) 5.645 21.807 ( -1.527 1.104 -0.855) 2.069 21.847 ( -2.184 -2.980 -0.244) 3.703 22.252 ( 2.337 7.519 4.766) 9.204 22.371 ( 1.113 -3.373 8.574) 9.281 22.973 ( 0.761 4.783 -1.565) 5.089 23.076 ( 3.297 -5.273 -1.046) 6.306 23.218 ( -2.901 3.349 0.499) 4.459 23.294 ( -2.261 -4.128 -0.555) 4.739 23.603 ( 2.265 3.898 -5.859) 7.393 23.612 ( 0.207 1.755 -2.230) 2.845 23.790 ( -0.373 0.131 -1.812) 1.855 23.799 ( -3.843 -0.073 -1.312) 4.062 24.372 ( 6.640 9.005 3.990) 11.878 24.548 ( 8.689 -8.081 -2.679) 12.165 ======================= Grid point 286 (147/148) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 2.195 7.667 -3.010) 8.524 1.603 ( -0.283 -4.420 -3.923) 5.916 1.770 ( 3.829 2.023 -2.160) 4.840 1.803 ( 4.255 -1.255 -3.843) 5.869 1.987 ( 5.122 1.663 4.631) 7.102 2.052 ( 4.596 -3.718 4.685) 7.544 2.188 ( 3.352 1.429 4.042) 5.442 2.265 ( 2.630 -4.953 3.968) 6.870 2.669 ( 7.238 3.664 3.477) 8.826 2.694 ( 6.554 2.153 3.073) 7.552 3.093 ( 5.969 2.251 2.314) 6.786 3.162 ( 5.475 -3.877 -1.308) 6.835 3.440 ( 3.277 7.946 -9.924) 13.129 3.500 ( -4.127 1.982 1.253) 4.747 3.542 ( -2.386 1.363 1.249) 3.018 3.622 ( 2.781 -5.790 -11.150) 12.868 3.961 ( -1.143 0.018 2.595) 2.835 3.969 ( 0.880 -0.509 1.564) 1.865 4.387 ( 1.475 6.307 -3.684) 7.451 4.502 ( -0.620 -4.210 -4.849) 6.452 4.569 ( 1.379 5.052 -5.729) 7.762 4.646 ( 2.291 -2.857 -4.758) 6.004 5.137 ( 4.772 5.723 3.342) 8.167 5.273 ( 6.471 -7.346 4.435) 10.747 5.494 ( 2.882 7.697 -6.036) 10.197 5.615 ( 2.734 -2.612 -7.535) 8.431 5.772 ( 11.524 0.615 5.867) 12.947 5.842 ( 8.305 -6.295 7.085) 12.602 5.929 ( 3.477 2.734 -1.087) 4.555 6.016 ( 4.979 -5.727 -4.848) 9.005 6.430 ( 0.382 4.821 -7.328) 8.780 6.490 ( -1.590 -1.137 -9.581) 9.778 7.018 ( 2.869 7.867 -2.924) 8.869 7.101 ( -1.321 0.031 -3.761) 3.986 7.466 ( 7.593 1.181 1.174) 7.774 7.580 ( 1.528 -8.193 5.845) 10.179 8.724 ( -0.209 2.908 -7.535) 8.080 8.811 ( -4.756 -5.013 -4.141) 8.056 9.450 ( -4.078 2.340 14.527) 15.269 9.501 ( -2.826 -2.261 11.116) 11.690 10.038 ( -2.666 10.224 1.445) 10.665 10.186 ( -8.697 1.005 2.671) 9.153 10.254 ( -2.934 0.436 2.249) 3.723 10.336 ( -6.665 -3.239 1.005) 7.478 11.069 ( 5.642 3.943 -0.651) 6.914 11.132 ( 3.504 -1.281 1.233) 3.929 11.229 ( 0.541 0.125 3.741) 3.782 11.318 ( 0.085 -6.692 7.009) 9.691 12.153 ( -3.950 4.829 2.589) 6.755 12.252 ( -2.286 -3.831 1.027) 4.578 12.319 ( -6.560 2.855 -4.369) 8.382 12.401 ( -4.345 -4.241 -5.770) 8.376 13.783 ( 8.281 -0.622 -1.067) 8.372 13.804 ( 9.373 -2.706 -3.150) 10.252 14.508 ( 7.446 2.166 1.875) 7.978 14.550 ( 6.183 -1.926 2.321) 6.879 21.022 ( -0.897 2.720 1.384) 3.181 21.080 ( -3.155 -3.090 2.200) 4.934 21.769 ( -1.268 0.404 -1.221) 1.806 21.799 ( -2.452 -2.567 -0.891) 3.660 22.376 ( 3.394 8.683 7.309) 11.847 22.506 ( 1.224 -3.114 9.853) 10.406 22.907 ( -3.347 6.982 -4.794) 9.107 23.045 ( -3.701 -6.641 -4.799) 8.991 23.208 ( 1.588 3.712 0.019) 4.037 23.270 ( 3.085 -1.934 -4.309) 5.642 23.548 ( -0.344 5.148 -1.313) 5.324 23.591 ( 0.390 0.467 -2.154) 2.238 23.773 ( 0.863 1.000 0.536) 1.425 23.811 ( 0.745 -2.821 0.805) 3.026 24.515 ( 4.488 4.902 4.015) 7.765 24.629 ( 6.250 -5.957 -4.179) 9.593 ======================= Grid point 287 (148/148) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 1.803 4.055 -0.401) 4.456 1.533 ( -2.118 -0.631 -2.839) 3.597 1.805 ( 2.228 1.657 -0.476) 2.817 1.817 ( 1.813 0.485 -1.871) 2.650 2.094 ( 2.146 -0.982 2.153) 3.194 2.123 ( 0.457 -3.736 -0.113) 3.765 2.258 ( 0.239 1.290 3.676) 3.903 2.290 ( -0.244 -1.536 -0.810) 1.753 2.792 ( 2.018 2.692 3.883) 5.138 2.811 ( 2.943 0.880 0.567) 3.124 3.180 ( 0.343 1.080 2.793) 3.014 3.197 ( 1.784 -0.578 -2.373) 3.025 3.404 ( 4.543 5.885 -5.535) 9.269 3.444 ( -4.190 4.580 0.777) 6.256 3.517 ( -2.473 -3.753 4.004) 6.019 3.552 ( 2.938 -5.172 -8.064) 10.021 4.036 ( 2.656 1.970 4.852) 5.872 4.059 ( 3.054 -0.016 3.023) 4.297 4.333 ( 0.660 2.541 -4.737) 5.416 4.389 ( -3.553 -2.957 -5.926) 7.516 4.578 ( 3.047 3.572 -0.606) 4.734 4.619 ( -0.065 -0.224 -2.639) 2.649 5.282 ( 2.223 7.692 9.325) 12.291 5.411 ( -1.831 4.548 -2.892) 5.692 5.440 ( 4.428 -3.900 2.216) 6.303 5.550 ( 1.371 -5.169 -8.561) 10.094 5.942 ( -1.323 -0.274 3.095) 3.377 5.962 ( 0.557 -1.569 -1.243) 2.078 6.032 ( 7.774 0.042 3.872) 8.685 6.087 ( 6.097 -5.085 2.760) 8.405 6.324 ( -0.939 1.932 -6.323) 6.678 6.362 ( -1.699 -1.872 -6.774) 7.231 7.026 ( 1.855 5.863 -1.904) 6.438 7.046 ( -1.884 3.826 -0.545) 4.299 7.589 ( 5.973 -0.709 -0.342) 6.024 7.635 ( -1.861 -4.663 3.055) 5.877 8.663 ( 2.056 0.824 -4.154) 4.708 8.698 ( -4.866 -2.299 -0.301) 5.391 9.538 ( -0.991 -0.129 6.023) 6.105 9.558 ( -1.903 -1.925 4.120) 4.930 10.031 ( -0.181 7.323 1.955) 7.581 10.081 ( -4.588 3.883 -0.346) 6.020 10.222 ( -1.671 -0.486 0.393) 1.784 10.244 ( -3.489 -1.367 -0.974) 3.872 11.177 ( 7.811 2.824 -1.428) 8.428 11.226 ( 2.680 0.617 1.850) 3.314 11.275 ( 1.810 -1.317 1.148) 2.515 11.349 ( -5.623 -5.418 4.401) 8.963 12.141 ( -3.119 4.523 5.624) 7.863 12.193 ( -0.188 4.053 -6.790) 7.910 12.240 ( -3.885 -4.771 5.709) 8.394 12.284 ( 0.556 -4.492 -7.643) 8.883 13.877 ( 2.966 -1.283 0.614) 3.290 13.886 ( 3.853 -2.145 -1.919) 4.809 14.613 ( 3.366 0.934 0.569) 3.539 14.630 ( 1.012 -0.738 1.060) 1.641 21.032 ( 0.482 1.147 0.684) 1.420 21.054 ( -2.161 -1.040 0.788) 2.525 21.745 ( -0.035 -0.605 -0.638) 0.880 21.756 ( -1.506 -1.692 -0.431) 2.306 22.530 ( 3.869 8.019 7.248) 11.481 22.621 ( -0.925 0.797 4.267) 4.438 22.800 ( -1.249 3.904 -1.631) 4.412 22.890 ( -3.593 -3.573 -8.096) 9.551 23.245 ( 1.387 2.727 0.861) 3.178 23.267 ( 1.419 0.922 -2.771) 3.247 23.557 ( 0.590 2.981 1.088) 3.227 23.576 ( -0.272 1.195 -0.797) 1.462 23.800 ( 0.975 -0.862 0.884) 1.573 23.819 ( -0.129 -2.607 -0.431) 2.645 24.613 ( 0.904 0.484 4.378) 4.496 24.651 ( 2.957 -3.110 -4.591) 6.284 =================== 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 3/36288 10.0 314.144 229.375 242.828 0.000 2.241 0.000 3/36288 20.0 64.569 41.476 35.635 0.000 0.206 0.000 3/36288 30.0 27.602 17.189 14.739 0.000 0.036 0.000 3/36288 40.0 16.201 10.015 8.662 0.000 -0.006 0.000 3/36288 50.0 11.199 6.926 6.044 0.000 -0.016 0.000 3/36288 60.0 8.511 5.280 4.645 0.000 -0.019 0.000 3/36288 70.0 6.868 4.278 3.790 0.000 -0.019 0.000 3/36288 80.0 5.771 3.608 3.218 0.000 -0.019 0.000 3/36288 90.0 4.989 3.130 2.809 0.000 -0.020 0.000 3/36288 100.0 4.406 2.771 2.502 0.000 -0.021 0.000 3/36288 110.0 3.954 2.492 2.262 0.000 -0.021 0.000 3/36288 120.0 3.593 2.269 2.070 0.000 -0.022 0.000 3/36288 130.0 3.298 2.085 1.911 0.000 -0.023 0.000 3/36288 140.0 3.053 1.932 1.778 0.000 -0.023 0.000 3/36288 150.0 2.845 1.802 1.665 0.000 -0.023 0.000 3/36288 160.0 2.666 1.689 1.566 0.000 -0.023 0.000 3/36288 170.0 2.510 1.592 1.480 0.000 -0.023 0.000 3/36288 180.0 2.374 1.506 1.404 0.000 -0.023 0.000 3/36288 190.0 2.253 1.430 1.337 0.000 -0.023 0.000 3/36288 200.0 2.145 1.362 1.276 0.000 -0.023 0.000 3/36288 210.0 2.047 1.301 1.221 0.000 -0.022 0.000 3/36288 220.0 1.959 1.246 1.171 0.000 -0.022 0.000 3/36288 230.0 1.879 1.196 1.126 0.000 -0.022 0.000 3/36288 240.0 1.806 1.150 1.084 0.000 -0.021 0.000 3/36288 250.0 1.738 1.108 1.046 0.000 -0.021 0.000 3/36288 260.0 1.676 1.069 1.010 0.000 -0.020 0.000 3/36288 270.0 1.618 1.033 0.977 0.000 -0.020 0.000 3/36288 280.0 1.565 1.000 0.946 0.000 -0.019 0.000 3/36288 290.0 1.515 0.969 0.917 0.000 -0.019 0.000 3/36288 300.0 1.468 0.940 0.890 0.000 -0.018 0.000 3/36288 310.0 1.424 0.913 0.865 0.000 -0.018 0.000 3/36288 320.0 1.383 0.887 0.841 0.000 -0.017 0.000 3/36288 330.0 1.344 0.863 0.819 0.000 -0.017 0.000 3/36288 340.0 1.307 0.840 0.797 0.000 -0.016 0.000 3/36288 350.0 1.273 0.818 0.777 0.000 -0.016 0.000 3/36288 360.0 1.240 0.798 0.758 0.000 -0.016 0.000 3/36288 370.0 1.209 0.779 0.740 0.000 -0.015 0.000 3/36288 380.0 1.179 0.760 0.722 0.000 -0.015 0.000 3/36288 390.0 1.151 0.743 0.706 0.000 -0.015 0.000 3/36288 400.0 1.124 0.726 0.690 0.000 -0.014 0.000 3/36288 410.0 1.099 0.710 0.675 0.000 -0.014 0.000 3/36288 420.0 1.074 0.694 0.660 0.000 -0.014 0.000 3/36288 430.0 1.051 0.680 0.646 0.000 -0.013 0.000 3/36288 440.0 1.029 0.666 0.633 0.000 -0.013 0.000 3/36288 450.0 1.007 0.652 0.620 0.000 -0.013 0.000 3/36288 460.0 0.987 0.639 0.608 0.000 -0.012 0.000 3/36288 470.0 0.967 0.627 0.596 0.000 -0.012 0.000 3/36288 480.0 0.948 0.615 0.585 0.000 -0.012 0.000 3/36288 490.0 0.930 0.603 0.574 0.000 -0.012 0.000 3/36288 500.0 0.912 0.592 0.564 0.000 -0.012 0.000 3/36288 510.0 0.895 0.582 0.553 0.000 -0.011 0.000 3/36288 520.0 0.879 0.571 0.544 0.000 -0.011 0.000 3/36288 530.0 0.863 0.561 0.534 0.000 -0.011 0.000 3/36288 540.0 0.848 0.552 0.525 0.000 -0.011 0.000 3/36288 550.0 0.834 0.542 0.516 0.000 -0.011 0.000 3/36288 560.0 0.819 0.533 0.508 0.000 -0.010 0.000 3/36288 570.0 0.806 0.525 0.499 0.000 -0.010 0.000 3/36288 580.0 0.793 0.516 0.491 0.000 -0.010 0.000 3/36288 590.0 0.780 0.508 0.484 0.000 -0.010 0.000 3/36288 600.0 0.767 0.500 0.476 0.000 -0.010 0.000 3/36288 610.0 0.755 0.492 0.469 0.000 -0.009 0.000 3/36288 620.0 0.744 0.485 0.462 0.000 -0.009 0.000 3/36288 630.0 0.732 0.478 0.455 0.000 -0.009 0.000 3/36288 640.0 0.721 0.471 0.448 0.000 -0.009 0.000 3/36288 650.0 0.711 0.464 0.442 0.000 -0.009 0.000 3/36288 660.0 0.700 0.457 0.435 0.000 -0.009 0.000 3/36288 670.0 0.690 0.451 0.429 0.000 -0.009 0.000 3/36288 680.0 0.681 0.445 0.423 0.000 -0.009 0.000 3/36288 690.0 0.671 0.438 0.417 0.000 -0.008 0.000 3/36288 700.0 0.662 0.433 0.412 0.000 -0.008 0.000 3/36288 710.0 0.653 0.427 0.406 0.000 -0.008 0.000 3/36288 720.0 0.644 0.421 0.401 0.000 -0.008 0.000 3/36288 730.0 0.636 0.416 0.396 0.000 -0.008 0.000 3/36288 740.0 0.627 0.410 0.391 0.000 -0.008 0.000 3/36288 750.0 0.619 0.405 0.386 0.000 -0.008 0.000 3/36288 760.0 0.611 0.400 0.381 0.000 -0.008 0.000 3/36288 770.0 0.604 0.395 0.376 0.000 -0.008 0.000 3/36288 780.0 0.596 0.390 0.372 0.000 -0.007 0.000 3/36288 790.0 0.589 0.385 0.367 0.000 -0.007 0.000 3/36288 800.0 0.582 0.381 0.363 0.000 -0.007 0.000 3/36288 810.0 0.575 0.376 0.358 0.000 -0.007 0.000 3/36288 820.0 0.568 0.372 0.354 0.000 -0.007 0.000 3/36288 830.0 0.561 0.368 0.350 0.000 -0.007 0.000 3/36288 840.0 0.555 0.363 0.346 0.000 -0.007 0.000 3/36288 850.0 0.548 0.359 0.342 0.000 -0.007 0.000 3/36288 860.0 0.542 0.355 0.338 0.000 -0.007 0.000 3/36288 870.0 0.536 0.351 0.335 0.000 -0.007 0.000 3/36288 880.0 0.530 0.348 0.331 0.000 -0.007 0.000 3/36288 890.0 0.524 0.344 0.327 0.000 -0.006 0.000 3/36288 900.0 0.519 0.340 0.324 0.000 -0.006 0.000 3/36288 910.0 0.513 0.336 0.320 0.000 -0.006 0.000 3/36288 920.0 0.508 0.333 0.317 0.000 -0.006 0.000 3/36288 930.0 0.502 0.329 0.314 0.000 -0.006 0.000 3/36288 940.0 0.497 0.326 0.311 0.000 -0.006 0.000 3/36288 950.0 0.492 0.323 0.307 0.000 -0.006 0.000 3/36288 960.0 0.487 0.320 0.304 0.000 -0.006 0.000 3/36288 970.0 0.482 0.316 0.301 0.000 -0.006 0.000 3/36288 980.0 0.477 0.313 0.298 0.000 -0.006 0.000 3/36288 990.0 0.472 0.310 0.295 0.000 -0.006 0.000 3/36288 1000.0 0.468 0.307 0.292 0.000 -0.006 0.000 3/36288 Thermal conductivity related properties were written into "kappa-m978.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:45:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|