----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:47:18]------------------------- 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: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.866030065025925 -3.854985684999999 0.000000000000000 b 5.866030065025925 3.854985684999999 0.000000000000000 c -3.003983146222124 0.000000000000000 5.726849369033568 Atomic positions (fractional): *1 Cd 0.14639373253148 0.34043654050296 0.68089283486150 112.411 2 Cd 0.65956345949704 0.85360626746852 0.81910716513850 112.411 3 Cd 0.85360626746852 0.65956345949704 0.31910716513850 112.411 4 Cd 0.34043654050296 0.14639373253148 0.18089283486150 112.411 *5 H 0.23792600615983 0.94013902801425 0.67538316580558 1.008 6 H 0.05986097198575 0.76207399384017 0.82461683419442 1.008 7 H 0.76207399384017 0.05986097198575 0.32461683419442 1.008 8 H 0.94013902801425 0.23792600615983 0.17538316580558 1.008 *9 S 0.68502851527704 0.31497148472296 0.75000000000000 32.065 10 S 0.31497148472296 0.68502851527704 0.25000000000000 32.065 *11 O 0.68502834655416 0.53747376702291 0.90510077353436 15.999 12 O 0.46252623297709 0.31497165344584 0.59489922646564 15.999 13 O 0.31497165344584 0.46252623297709 0.09489922646564 15.999 14 O 0.53747376702291 0.68502834655416 0.40510077353435 15.999 *15 O 0.83165070785751 0.24283223849793 0.60173711867103 15.999 16 O 0.75716776150207 0.16834929214249 0.89826288132897 15.999 17 O 0.16834929214249 0.75716776150207 0.39826288132897 15.999 18 O 0.24283223849793 0.83165070785751 0.10173711867103 15.999 *19 O 0.31649433025730 0.04471607487319 0.79416242298073 15.999 20 O 0.95528392512681 0.68350566974270 0.70583757701927 15.999 21 O 0.68350566974270 0.95528392512681 0.20583757701927 15.999 22 O 0.04471607487319 0.31649433025730 0.29416242298073 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.732060130051849 0.000000000000000 0.000000000000000 b 0.000000000000000 7.709971369999999 0.000000000000000 c -3.003983146222124 0.000000000000000 5.726849369033568 Atomic positions (fractional): *1 Cd 0.24341513651722 0.09702140398574 0.68089283486150 112.411 > 1 2 Cd 0.75658486348278 0.09702140398574 0.81910716513850 112.411 > 2 3 Cd 0.75658486348278 0.90297859601426 0.31910716513850 112.411 > 3 4 Cd 0.24341513651722 0.90297859601426 0.18089283486150 112.411 > 4 5 Cd 0.74341513651722 0.59702140398574 0.68089283486150 112.411 > 1 6 Cd 0.25658486348278 0.59702140398574 0.81910716513850 112.411 > 2 7 Cd 0.25658486348278 0.40297859601426 0.31910716513850 112.411 > 3 8 Cd 0.74341513651722 0.40297859601426 0.18089283486150 112.411 > 4 *9 H 0.58903251708704 0.35110651092721 0.67538316580558 1.008 > 5 10 H 0.41096748291296 0.35110651092721 0.82461683419442 1.008 > 6 11 H 0.41096748291296 0.64889348907279 0.32461683419442 1.008 > 7 12 H 0.58903251708704 0.64889348907279 0.17538316580558 1.008 > 8 13 H 0.08903251708704 0.85110651092721 0.67538316580558 1.008 > 5 14 H 0.91096748291296 0.85110651092721 0.82461683419442 1.008 > 6 15 H 0.91096748291296 0.14889348907279 0.32461683419442 1.008 > 7 16 H 0.08903251708704 0.14889348907279 0.17538316580558 1.008 > 8 *17 S 0.50000000000000 0.81497148472296 0.75000000000000 32.065 > 9 18 S 0.50000000000000 0.18502851527704 0.25000000000000 32.065 > 10 19 S 0.00000000000000 0.31497148472296 0.75000000000000 32.065 > 9 20 S 0.00000000000000 0.68502851527704 0.25000000000000 32.065 > 10 *21 O 0.61125105678854 0.92622271023438 0.90510077353436 15.999 > 11 22 O 0.38874894321146 0.92622271023438 0.59489922646564 15.999 > 12 23 O 0.38874894321146 0.07377728976562 0.09489922646564 15.999 > 13 24 O 0.61125105678854 0.07377728976562 0.40510077353435 15.999 > 14 *25 O 0.53724147317772 0.70559076532021 0.60173711867103 15.999 > 15 26 O 0.46275852682228 0.70559076532021 0.89826288132897 15.999 > 16 27 O 0.46275852682228 0.29440923467979 0.39826288132897 15.999 > 17 28 O 0.53724147317772 0.29440923467979 0.10173711867103 15.999 > 18 *29 O 0.18060520256524 0.86411087230794 0.79416242298073 15.999 > 19 30 O 0.81939479743476 0.86411087230794 0.70583757701927 15.999 > 20 31 O 0.81939479743476 0.13588912769206 0.20583757701927 15.999 > 21 32 O 0.18060520256524 0.13588912769206 0.29416242298073 15.999 > 22 33 O 0.11125105678854 0.42622271023438 0.90510077353436 15.999 > 11 34 O 0.88874894321146 0.42622271023438 0.59489922646564 15.999 > 12 35 O 0.88874894321146 0.57377728976562 0.09489922646564 15.999 > 13 36 O 0.11125105678854 0.57377728976562 0.40510077353435 15.999 > 14 37 O 0.03724147317772 0.20559076532021 0.60173711867103 15.999 > 15 38 O 0.96275852682228 0.20559076532021 0.89826288132897 15.999 > 16 39 O 0.96275852682228 0.79440923467979 0.39826288132897 15.999 > 17 40 O 0.03724147317772 0.79440923467979 0.10173711867103 15.999 > 18 41 O 0.68060520256524 0.36411087230794 0.79416242298073 15.999 > 19 42 O 0.31939479743476 0.36411087230794 0.70583757701927 15.999 > 20 43 O 0.31939479743476 0.63588912769206 0.20583757701927 15.999 > 21 44 O 0.68060520256524 0.63588912769206 0.29416242298073 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.732060130051849 0.000000000000000 0.000000000000000 b 0.000000000000000 7.709971369999999 0.000000000000000 c -6.007966292444248 0.000000000000000 11.453698738067136 Atomic positions (fractional): *1 Cd 0.24341513651722 0.09702140398574 0.34044641743075 112.411 > 1 2 Cd 0.24341513651722 0.09702140398574 0.84044641743075 112.411 > 1 3 Cd 0.75658486348278 0.09702140398574 0.40955358256925 112.411 > 2 4 Cd 0.75658486348278 0.09702140398574 0.90955358256925 112.411 > 2 5 Cd 0.75658486348278 0.90297859601426 0.15955358256925 112.411 > 3 6 Cd 0.75658486348278 0.90297859601426 0.65955358256925 112.411 > 3 7 Cd 0.24341513651722 0.90297859601426 0.09044641743075 112.411 > 4 8 Cd 0.24341513651722 0.90297859601426 0.59044641743075 112.411 > 4 9 Cd 0.74341513651722 0.59702140398574 0.34044641743075 112.411 > 1 10 Cd 0.74341513651722 0.59702140398574 0.84044641743075 112.411 > 1 11 Cd 0.25658486348278 0.59702140398574 0.40955358256925 112.411 > 2 12 Cd 0.25658486348278 0.59702140398574 0.90955358256925 112.411 > 2 13 Cd 0.25658486348278 0.40297859601426 0.15955358256925 112.411 > 3 14 Cd 0.25658486348278 0.40297859601426 0.65955358256925 112.411 > 3 15 Cd 0.74341513651722 0.40297859601426 0.09044641743075 112.411 > 4 16 Cd 0.74341513651722 0.40297859601426 0.59044641743075 112.411 > 4 *17 H 0.58903251708704 0.35110651092721 0.33769158290279 1.008 > 5 18 H 0.58903251708704 0.35110651092721 0.83769158290279 1.008 > 5 19 H 0.41096748291296 0.35110651092721 0.41230841709721 1.008 > 6 20 H 0.41096748291296 0.35110651092721 0.91230841709721 1.008 > 6 21 H 0.41096748291296 0.64889348907279 0.16230841709721 1.008 > 7 22 H 0.41096748291296 0.64889348907279 0.66230841709721 1.008 > 7 23 H 0.58903251708704 0.64889348907279 0.08769158290279 1.008 > 8 24 H 0.58903251708704 0.64889348907279 0.58769158290279 1.008 > 8 25 H 0.08903251708704 0.85110651092721 0.33769158290279 1.008 > 5 26 H 0.08903251708704 0.85110651092721 0.83769158290279 1.008 > 5 27 H 0.91096748291296 0.85110651092721 0.41230841709721 1.008 > 6 28 H 0.91096748291296 0.85110651092721 0.91230841709721 1.008 > 6 29 H 0.91096748291296 0.14889348907279 0.16230841709721 1.008 > 7 30 H 0.91096748291296 0.14889348907279 0.66230841709721 1.008 > 7 31 H 0.08903251708704 0.14889348907279 0.08769158290279 1.008 > 8 32 H 0.08903251708704 0.14889348907279 0.58769158290279 1.008 > 8 *33 S 0.50000000000000 0.81497148472296 0.37500000000000 32.065 > 9 34 S 0.50000000000000 0.81497148472296 0.87500000000000 32.065 > 9 35 S 0.50000000000000 0.18502851527704 0.12500000000000 32.065 > 10 36 S 0.50000000000000 0.18502851527704 0.62500000000000 32.065 > 10 37 S 0.00000000000000 0.31497148472296 0.37500000000000 32.065 > 9 38 S 0.00000000000000 0.31497148472296 0.87500000000000 32.065 > 9 39 S 0.00000000000000 0.68502851527704 0.12500000000000 32.065 > 10 40 S 0.00000000000000 0.68502851527704 0.62500000000000 32.065 > 10 *41 O 0.61125105678854 0.92622271023438 0.45255038676718 15.999 > 11 42 O 0.61125105678854 0.92622271023438 0.95255038676718 15.999 > 11 43 O 0.38874894321146 0.92622271023438 0.29744961323282 15.999 > 12 44 O 0.38874894321146 0.92622271023438 0.79744961323282 15.999 > 12 45 O 0.38874894321146 0.07377728976562 0.04744961323282 15.999 > 13 46 O 0.38874894321146 0.07377728976562 0.54744961323282 15.999 > 13 47 O 0.61125105678854 0.07377728976562 0.20255038676718 15.999 > 14 48 O 0.61125105678854 0.07377728976562 0.70255038676718 15.999 > 14 *49 O 0.53724147317772 0.70559076532021 0.30086855933551 15.999 > 15 50 O 0.53724147317772 0.70559076532021 0.80086855933551 15.999 > 15 51 O 0.46275852682228 0.70559076532021 0.44913144066449 15.999 > 16 52 O 0.46275852682228 0.70559076532021 0.94913144066449 15.999 > 16 53 O 0.46275852682228 0.29440923467979 0.19913144066448 15.999 > 17 54 O 0.46275852682228 0.29440923467979 0.69913144066448 15.999 > 17 55 O 0.53724147317772 0.29440923467979 0.05086855933551 15.999 > 18 56 O 0.53724147317772 0.29440923467979 0.55086855933552 15.999 > 18 *57 O 0.18060520256524 0.86411087230794 0.39708121149037 15.999 > 19 58 O 0.18060520256524 0.86411087230794 0.89708121149037 15.999 > 19 59 O 0.81939479743476 0.86411087230794 0.35291878850963 15.999 > 20 60 O 0.81939479743476 0.86411087230794 0.85291878850963 15.999 > 20 61 O 0.81939479743476 0.13588912769206 0.10291878850963 15.999 > 21 62 O 0.81939479743476 0.13588912769206 0.60291878850963 15.999 > 21 63 O 0.18060520256524 0.13588912769206 0.14708121149037 15.999 > 22 64 O 0.18060520256524 0.13588912769206 0.64708121149037 15.999 > 22 65 O 0.11125105678854 0.42622271023438 0.45255038676718 15.999 > 11 66 O 0.11125105678854 0.42622271023438 0.95255038676718 15.999 > 11 67 O 0.88874894321146 0.42622271023438 0.29744961323282 15.999 > 12 68 O 0.88874894321146 0.42622271023438 0.79744961323282 15.999 > 12 69 O 0.88874894321146 0.57377728976562 0.04744961323282 15.999 > 13 70 O 0.88874894321146 0.57377728976562 0.54744961323282 15.999 > 13 71 O 0.11125105678854 0.57377728976562 0.20255038676718 15.999 > 14 72 O 0.11125105678854 0.57377728976562 0.70255038676718 15.999 > 14 73 O 0.03724147317772 0.20559076532021 0.30086855933551 15.999 > 15 74 O 0.03724147317772 0.20559076532021 0.80086855933551 15.999 > 15 75 O 0.96275852682228 0.20559076532021 0.44913144066449 15.999 > 16 76 O 0.96275852682228 0.20559076532021 0.94913144066449 15.999 > 16 77 O 0.96275852682228 0.79440923467979 0.19913144066448 15.999 > 17 78 O 0.96275852682228 0.79440923467979 0.69913144066448 15.999 > 17 79 O 0.03724147317772 0.79440923467979 0.05086855933551 15.999 > 18 80 O 0.03724147317772 0.79440923467979 0.55086855933552 15.999 > 18 81 O 0.68060520256524 0.36411087230794 0.39708121149037 15.999 > 19 82 O 0.68060520256524 0.36411087230794 0.89708121149037 15.999 > 19 83 O 0.31939479743476 0.36411087230794 0.35291878850963 15.999 > 20 84 O 0.31939479743476 0.36411087230794 0.85291878850963 15.999 > 20 85 O 0.31939479743476 0.63588912769206 0.10291878850963 15.999 > 21 86 O 0.31939479743476 0.63588912769206 0.60291878850963 15.999 > 21 87 O 0.68060520256524 0.63588912769206 0.14708121149037 15.999 > 22 88 O 0.68060520256524 0.63588912769206 0.64708121149037 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0413916 0.0000000 -0.0061897 0.0000000 3.1832236 0.0000000 -0.0061883 0.0000000 3.1599985 -------------------------- Born effective charges -------------------------- 1 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 2 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 3 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 4 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 5 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 6 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 7 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 8 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 9 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 10 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 11 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 12 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 13 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 14 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 15 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 16 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 17 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 18 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 19 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 20 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 21 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 22 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10398/10398 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2278 Number of blocks in projector: 2278 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2278, 2229), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (482, 472), data: True |-- (482, 472), data: True |-- (486, 475), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.668 Solver_block: 200 / 720 - Time: 0.527 Solver_block: 300 / 720 - Time: 0.528 Solver_block: 400 / 720 - Time: 0.526 Solver_block: 500 / 720 - Time: 0.518 Solver_block: 600 / 720 - Time: 0.522 Solver_block: 700 / 720 - Time: 0.515 Solver_block: 720 / 720 - Time: 0.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.089 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10398/10398 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2278 Number of blocks in projector: 2278 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2278, 2229), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (482, 472), data: True |-- (482, 472), data: True |-- (486, 475), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:47:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:47:47]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.866030065025925 -3.854985684999999 0.000000000000000 b 5.866030065025925 3.854985684999999 0.000000000000000 c -3.003983146222124 0.000000000000000 5.726849369033568 Atomic positions (fractional): 1 Cd 0.14639373253148 0.34043654050296 0.68089283486150 112.411 2 Cd 0.65956345949704 0.85360626746852 0.81910716513850 112.411 3 Cd 0.85360626746852 0.65956345949704 0.31910716513850 112.411 4 Cd 0.34043654050296 0.14639373253148 0.18089283486150 112.411 5 H 0.23792600615983 0.94013902801425 0.67538316580558 1.008 6 H 0.05986097198575 0.76207399384017 0.82461683419442 1.008 7 H 0.76207399384017 0.05986097198575 0.32461683419442 1.008 8 H 0.94013902801425 0.23792600615983 0.17538316580558 1.008 9 S 0.68502851527704 0.31497148472296 0.75000000000000 32.065 10 S 0.31497148472296 0.68502851527704 0.25000000000000 32.065 11 O 0.68502834655416 0.53747376702291 0.90510077353436 15.999 12 O 0.46252623297709 0.31497165344584 0.59489922646564 15.999 13 O 0.31497165344584 0.46252623297709 0.09489922646564 15.999 14 O 0.53747376702291 0.68502834655416 0.40510077353435 15.999 15 O 0.83165070785751 0.24283223849793 0.60173711867103 15.999 16 O 0.75716776150207 0.16834929214249 0.89826288132897 15.999 17 O 0.16834929214249 0.75716776150207 0.39826288132897 15.999 18 O 0.24283223849793 0.83165070785751 0.10173711867103 15.999 19 O 0.31649433025730 0.04471607487319 0.79416242298073 15.999 20 O 0.95528392512681 0.68350566974270 0.70583757701927 15.999 21 O 0.68350566974270 0.95528392512681 0.20583757701927 15.999 22 O 0.04471607487319 0.31649433025730 0.29416242298073 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.732060130051849 0.000000000000000 0.000000000000000 b 0.000000000000000 7.709971369999999 0.000000000000000 c -6.007966292444248 0.000000000000000 11.453698738067136 Atomic positions (fractional): 1 Cd 0.24341513651722 0.09702140398574 0.34044641743075 112.411 > 1 2 Cd 0.24341513651722 0.09702140398574 0.84044641743075 112.411 > 1 3 Cd 0.75658486348278 0.09702140398574 0.40955358256925 112.411 > 3 4 Cd 0.75658486348278 0.09702140398574 0.90955358256925 112.411 > 3 5 Cd 0.75658486348278 0.90297859601426 0.15955358256925 112.411 > 5 6 Cd 0.75658486348278 0.90297859601426 0.65955358256925 112.411 > 5 7 Cd 0.24341513651722 0.90297859601426 0.09044641743075 112.411 > 7 8 Cd 0.24341513651722 0.90297859601426 0.59044641743075 112.411 > 7 9 Cd 0.74341513651722 0.59702140398574 0.34044641743075 112.411 > 1 10 Cd 0.74341513651722 0.59702140398574 0.84044641743075 112.411 > 1 11 Cd 0.25658486348278 0.59702140398574 0.40955358256925 112.411 > 3 12 Cd 0.25658486348278 0.59702140398574 0.90955358256925 112.411 > 3 13 Cd 0.25658486348278 0.40297859601426 0.15955358256925 112.411 > 5 14 Cd 0.25658486348278 0.40297859601426 0.65955358256925 112.411 > 5 15 Cd 0.74341513651722 0.40297859601426 0.09044641743075 112.411 > 7 16 Cd 0.74341513651722 0.40297859601426 0.59044641743075 112.411 > 7 17 H 0.58903251708704 0.35110651092721 0.33769158290279 1.008 > 17 18 H 0.58903251708704 0.35110651092721 0.83769158290279 1.008 > 17 19 H 0.41096748291296 0.35110651092721 0.41230841709721 1.008 > 19 20 H 0.41096748291296 0.35110651092721 0.91230841709721 1.008 > 19 21 H 0.41096748291296 0.64889348907279 0.16230841709721 1.008 > 21 22 H 0.41096748291296 0.64889348907279 0.66230841709721 1.008 > 21 23 H 0.58903251708704 0.64889348907279 0.08769158290279 1.008 > 23 24 H 0.58903251708704 0.64889348907279 0.58769158290279 1.008 > 23 25 H 0.08903251708704 0.85110651092721 0.33769158290279 1.008 > 17 26 H 0.08903251708704 0.85110651092721 0.83769158290279 1.008 > 17 27 H 0.91096748291296 0.85110651092721 0.41230841709721 1.008 > 19 28 H 0.91096748291296 0.85110651092721 0.91230841709721 1.008 > 19 29 H 0.91096748291296 0.14889348907279 0.16230841709721 1.008 > 21 30 H 0.91096748291296 0.14889348907279 0.66230841709721 1.008 > 21 31 H 0.08903251708704 0.14889348907279 0.08769158290279 1.008 > 23 32 H 0.08903251708704 0.14889348907279 0.58769158290279 1.008 > 23 33 S 0.50000000000000 0.81497148472296 0.37500000000000 32.065 > 33 34 S 0.50000000000000 0.81497148472296 0.87500000000000 32.065 > 33 35 S 0.50000000000000 0.18502851527704 0.12500000000000 32.065 > 35 36 S 0.50000000000000 0.18502851527704 0.62500000000000 32.065 > 35 37 S 0.00000000000000 0.31497148472296 0.37500000000000 32.065 > 33 38 S 0.00000000000000 0.31497148472296 0.87500000000000 32.065 > 33 39 S 0.00000000000000 0.68502851527704 0.12500000000000 32.065 > 35 40 S 0.00000000000000 0.68502851527704 0.62500000000000 32.065 > 35 41 O 0.61125105678854 0.92622271023438 0.45255038676718 15.999 > 41 42 O 0.61125105678854 0.92622271023438 0.95255038676718 15.999 > 41 43 O 0.38874894321146 0.92622271023438 0.29744961323282 15.999 > 43 44 O 0.38874894321146 0.92622271023438 0.79744961323282 15.999 > 43 45 O 0.38874894321146 0.07377728976562 0.04744961323282 15.999 > 45 46 O 0.38874894321146 0.07377728976562 0.54744961323282 15.999 > 45 47 O 0.61125105678854 0.07377728976562 0.20255038676718 15.999 > 47 48 O 0.61125105678854 0.07377728976562 0.70255038676718 15.999 > 47 49 O 0.53724147317772 0.70559076532021 0.30086855933551 15.999 > 49 50 O 0.53724147317772 0.70559076532021 0.80086855933551 15.999 > 49 51 O 0.46275852682228 0.70559076532021 0.44913144066449 15.999 > 51 52 O 0.46275852682228 0.70559076532021 0.94913144066449 15.999 > 51 53 O 0.46275852682228 0.29440923467979 0.19913144066448 15.999 > 53 54 O 0.46275852682228 0.29440923467979 0.69913144066448 15.999 > 53 55 O 0.53724147317772 0.29440923467979 0.05086855933551 15.999 > 55 56 O 0.53724147317772 0.29440923467979 0.55086855933552 15.999 > 55 57 O 0.18060520256524 0.86411087230794 0.39708121149037 15.999 > 57 58 O 0.18060520256524 0.86411087230794 0.89708121149037 15.999 > 57 59 O 0.81939479743476 0.86411087230794 0.35291878850963 15.999 > 59 60 O 0.81939479743476 0.86411087230794 0.85291878850963 15.999 > 59 61 O 0.81939479743476 0.13588912769206 0.10291878850963 15.999 > 61 62 O 0.81939479743476 0.13588912769206 0.60291878850963 15.999 > 61 63 O 0.18060520256524 0.13588912769206 0.14708121149037 15.999 > 63 64 O 0.18060520256524 0.13588912769206 0.64708121149037 15.999 > 63 65 O 0.11125105678854 0.42622271023438 0.45255038676718 15.999 > 41 66 O 0.11125105678854 0.42622271023438 0.95255038676718 15.999 > 41 67 O 0.88874894321146 0.42622271023438 0.29744961323282 15.999 > 43 68 O 0.88874894321146 0.42622271023438 0.79744961323282 15.999 > 43 69 O 0.88874894321146 0.57377728976562 0.04744961323282 15.999 > 45 70 O 0.88874894321146 0.57377728976562 0.54744961323282 15.999 > 45 71 O 0.11125105678854 0.57377728976562 0.20255038676718 15.999 > 47 72 O 0.11125105678854 0.57377728976562 0.70255038676718 15.999 > 47 73 O 0.03724147317772 0.20559076532021 0.30086855933551 15.999 > 49 74 O 0.03724147317772 0.20559076532021 0.80086855933551 15.999 > 49 75 O 0.96275852682228 0.20559076532021 0.44913144066449 15.999 > 51 76 O 0.96275852682228 0.20559076532021 0.94913144066449 15.999 > 51 77 O 0.96275852682228 0.79440923467979 0.19913144066448 15.999 > 53 78 O 0.96275852682228 0.79440923467979 0.69913144066448 15.999 > 53 79 O 0.03724147317772 0.79440923467979 0.05086855933551 15.999 > 55 80 O 0.03724147317772 0.79440923467979 0.55086855933552 15.999 > 55 81 O 0.68060520256524 0.36411087230794 0.39708121149037 15.999 > 57 82 O 0.68060520256524 0.36411087230794 0.89708121149037 15.999 > 57 83 O 0.31939479743476 0.36411087230794 0.35291878850963 15.999 > 59 84 O 0.31939479743476 0.36411087230794 0.85291878850963 15.999 > 59 85 O 0.31939479743476 0.63588912769206 0.10291878850963 15.999 > 61 86 O 0.31939479743476 0.63588912769206 0.60291878850963 15.999 > 61 87 O 0.68060520256524 0.63588912769206 0.14708121149037 15.999 > 63 88 O 0.68060520256524 0.63588912769206 0.64708121149037 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0413916 0.0000000 -0.0061897 0.0000000 3.1832236 0.0000000 -0.0061883 0.0000000 3.1599985 -------------------------- Born effective charges -------------------------- 1 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 2 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 3 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 4 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 5 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 6 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 7 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 8 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 9 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 10 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 11 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 12 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 13 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 14 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 15 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 16 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 17 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 18 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 19 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 20 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 21 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 22 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 57, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000033 (yyy) 0.00000033 (yyy) 0.00000033 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000011 (xz) -0.00000011 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:48:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:48:06]------------------------- 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): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.866030065025925 -3.854985684999999 0.000000000000000 b 5.866030065025925 3.854985684999999 0.000000000000000 c -3.003983146222124 0.000000000000000 5.726849369033568 Atomic positions (fractional): 1 Cd 0.14639373253148 0.34043654050296 0.68089283486150 112.411 2 Cd 0.65956345949704 0.85360626746852 0.81910716513850 112.411 3 Cd 0.85360626746852 0.65956345949704 0.31910716513850 112.411 4 Cd 0.34043654050296 0.14639373253148 0.18089283486150 112.411 5 H 0.23792600615983 0.94013902801425 0.67538316580558 1.008 6 H 0.05986097198575 0.76207399384017 0.82461683419442 1.008 7 H 0.76207399384017 0.05986097198575 0.32461683419442 1.008 8 H 0.94013902801425 0.23792600615983 0.17538316580558 1.008 9 S 0.68502851527704 0.31497148472296 0.75000000000000 32.065 10 S 0.31497148472296 0.68502851527704 0.25000000000000 32.065 11 O 0.68502834655416 0.53747376702291 0.90510077353436 15.999 12 O 0.46252623297709 0.31497165344584 0.59489922646564 15.999 13 O 0.31497165344584 0.46252623297709 0.09489922646564 15.999 14 O 0.53747376702291 0.68502834655416 0.40510077353435 15.999 15 O 0.83165070785751 0.24283223849793 0.60173711867103 15.999 16 O 0.75716776150207 0.16834929214249 0.89826288132897 15.999 17 O 0.16834929214249 0.75716776150207 0.39826288132897 15.999 18 O 0.24283223849793 0.83165070785751 0.10173711867103 15.999 19 O 0.31649433025730 0.04471607487319 0.79416242298073 15.999 20 O 0.95528392512681 0.68350566974270 0.70583757701927 15.999 21 O 0.68350566974270 0.95528392512681 0.20583757701927 15.999 22 O 0.04471607487319 0.31649433025730 0.29416242298073 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.732060130051849 0.000000000000000 0.000000000000000 b 0.000000000000000 7.709971369999999 0.000000000000000 c -6.007966292444248 0.000000000000000 11.453698738067136 Atomic positions (fractional): 1 Cd 0.24341513651722 0.09702140398574 0.34044641743075 112.411 > 1 2 Cd 0.24341513651722 0.09702140398574 0.84044641743075 112.411 > 1 3 Cd 0.75658486348278 0.09702140398574 0.40955358256925 112.411 > 3 4 Cd 0.75658486348278 0.09702140398574 0.90955358256925 112.411 > 3 5 Cd 0.75658486348278 0.90297859601426 0.15955358256925 112.411 > 5 6 Cd 0.75658486348278 0.90297859601426 0.65955358256925 112.411 > 5 7 Cd 0.24341513651722 0.90297859601426 0.09044641743075 112.411 > 7 8 Cd 0.24341513651722 0.90297859601426 0.59044641743075 112.411 > 7 9 Cd 0.74341513651722 0.59702140398574 0.34044641743075 112.411 > 1 10 Cd 0.74341513651722 0.59702140398574 0.84044641743075 112.411 > 1 11 Cd 0.25658486348278 0.59702140398574 0.40955358256925 112.411 > 3 12 Cd 0.25658486348278 0.59702140398574 0.90955358256925 112.411 > 3 13 Cd 0.25658486348278 0.40297859601426 0.15955358256925 112.411 > 5 14 Cd 0.25658486348278 0.40297859601426 0.65955358256925 112.411 > 5 15 Cd 0.74341513651722 0.40297859601426 0.09044641743075 112.411 > 7 16 Cd 0.74341513651722 0.40297859601426 0.59044641743075 112.411 > 7 17 H 0.58903251708704 0.35110651092721 0.33769158290279 1.008 > 17 18 H 0.58903251708704 0.35110651092721 0.83769158290279 1.008 > 17 19 H 0.41096748291296 0.35110651092721 0.41230841709721 1.008 > 19 20 H 0.41096748291296 0.35110651092721 0.91230841709721 1.008 > 19 21 H 0.41096748291296 0.64889348907279 0.16230841709721 1.008 > 21 22 H 0.41096748291296 0.64889348907279 0.66230841709721 1.008 > 21 23 H 0.58903251708704 0.64889348907279 0.08769158290279 1.008 > 23 24 H 0.58903251708704 0.64889348907279 0.58769158290279 1.008 > 23 25 H 0.08903251708704 0.85110651092721 0.33769158290279 1.008 > 17 26 H 0.08903251708704 0.85110651092721 0.83769158290279 1.008 > 17 27 H 0.91096748291296 0.85110651092721 0.41230841709721 1.008 > 19 28 H 0.91096748291296 0.85110651092721 0.91230841709721 1.008 > 19 29 H 0.91096748291296 0.14889348907279 0.16230841709721 1.008 > 21 30 H 0.91096748291296 0.14889348907279 0.66230841709721 1.008 > 21 31 H 0.08903251708704 0.14889348907279 0.08769158290279 1.008 > 23 32 H 0.08903251708704 0.14889348907279 0.58769158290279 1.008 > 23 33 S 0.50000000000000 0.81497148472296 0.37500000000000 32.065 > 33 34 S 0.50000000000000 0.81497148472296 0.87500000000000 32.065 > 33 35 S 0.50000000000000 0.18502851527704 0.12500000000000 32.065 > 35 36 S 0.50000000000000 0.18502851527704 0.62500000000000 32.065 > 35 37 S 0.00000000000000 0.31497148472296 0.37500000000000 32.065 > 33 38 S 0.00000000000000 0.31497148472296 0.87500000000000 32.065 > 33 39 S 0.00000000000000 0.68502851527704 0.12500000000000 32.065 > 35 40 S 0.00000000000000 0.68502851527704 0.62500000000000 32.065 > 35 41 O 0.61125105678854 0.92622271023438 0.45255038676718 15.999 > 41 42 O 0.61125105678854 0.92622271023438 0.95255038676718 15.999 > 41 43 O 0.38874894321146 0.92622271023438 0.29744961323282 15.999 > 43 44 O 0.38874894321146 0.92622271023438 0.79744961323282 15.999 > 43 45 O 0.38874894321146 0.07377728976562 0.04744961323282 15.999 > 45 46 O 0.38874894321146 0.07377728976562 0.54744961323282 15.999 > 45 47 O 0.61125105678854 0.07377728976562 0.20255038676718 15.999 > 47 48 O 0.61125105678854 0.07377728976562 0.70255038676718 15.999 > 47 49 O 0.53724147317772 0.70559076532021 0.30086855933551 15.999 > 49 50 O 0.53724147317772 0.70559076532021 0.80086855933551 15.999 > 49 51 O 0.46275852682228 0.70559076532021 0.44913144066449 15.999 > 51 52 O 0.46275852682228 0.70559076532021 0.94913144066449 15.999 > 51 53 O 0.46275852682228 0.29440923467979 0.19913144066448 15.999 > 53 54 O 0.46275852682228 0.29440923467979 0.69913144066448 15.999 > 53 55 O 0.53724147317772 0.29440923467979 0.05086855933551 15.999 > 55 56 O 0.53724147317772 0.29440923467979 0.55086855933552 15.999 > 55 57 O 0.18060520256524 0.86411087230794 0.39708121149037 15.999 > 57 58 O 0.18060520256524 0.86411087230794 0.89708121149037 15.999 > 57 59 O 0.81939479743476 0.86411087230794 0.35291878850963 15.999 > 59 60 O 0.81939479743476 0.86411087230794 0.85291878850963 15.999 > 59 61 O 0.81939479743476 0.13588912769206 0.10291878850963 15.999 > 61 62 O 0.81939479743476 0.13588912769206 0.60291878850963 15.999 > 61 63 O 0.18060520256524 0.13588912769206 0.14708121149037 15.999 > 63 64 O 0.18060520256524 0.13588912769206 0.64708121149037 15.999 > 63 65 O 0.11125105678854 0.42622271023438 0.45255038676718 15.999 > 41 66 O 0.11125105678854 0.42622271023438 0.95255038676718 15.999 > 41 67 O 0.88874894321146 0.42622271023438 0.29744961323282 15.999 > 43 68 O 0.88874894321146 0.42622271023438 0.79744961323282 15.999 > 43 69 O 0.88874894321146 0.57377728976562 0.04744961323282 15.999 > 45 70 O 0.88874894321146 0.57377728976562 0.54744961323282 15.999 > 45 71 O 0.11125105678854 0.57377728976562 0.20255038676718 15.999 > 47 72 O 0.11125105678854 0.57377728976562 0.70255038676718 15.999 > 47 73 O 0.03724147317772 0.20559076532021 0.30086855933551 15.999 > 49 74 O 0.03724147317772 0.20559076532021 0.80086855933551 15.999 > 49 75 O 0.96275852682228 0.20559076532021 0.44913144066449 15.999 > 51 76 O 0.96275852682228 0.20559076532021 0.94913144066449 15.999 > 51 77 O 0.96275852682228 0.79440923467979 0.19913144066448 15.999 > 53 78 O 0.96275852682228 0.79440923467979 0.69913144066448 15.999 > 53 79 O 0.03724147317772 0.79440923467979 0.05086855933551 15.999 > 55 80 O 0.03724147317772 0.79440923467979 0.55086855933552 15.999 > 55 81 O 0.68060520256524 0.36411087230794 0.39708121149037 15.999 > 57 82 O 0.68060520256524 0.36411087230794 0.89708121149037 15.999 > 57 83 O 0.31939479743476 0.36411087230794 0.35291878850963 15.999 > 59 84 O 0.31939479743476 0.36411087230794 0.85291878850963 15.999 > 59 85 O 0.31939479743476 0.63588912769206 0.10291878850963 15.999 > 61 86 O 0.31939479743476 0.63588912769206 0.60291878850963 15.999 > 61 87 O 0.68060520256524 0.63588912769206 0.14708121149037 15.999 > 63 88 O 0.68060520256524 0.63588912769206 0.64708121149037 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0413916 0.0000000 -0.0061897 0.0000000 3.1832236 0.0000000 -0.0061883 0.0000000 3.1599985 -------------------------- Born effective charges -------------------------- 1 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 2 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 3 Cd 2.3549360 -0.1461043 -0.0235238 -0.0503736 2.4692002 -0.0599343 -0.0459021 -0.2512932 2.3563302 4 Cd 2.3549360 0.1461043 -0.0235238 0.0503736 2.4692002 0.0599343 -0.0459021 0.2512932 2.3563302 5 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 6 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 7 H 0.4141895 0.0251752 0.2596572 0.1120020 0.3138076 0.2419495 0.3893400 0.1841180 0.9004366 8 H 0.4141895 -0.0251752 0.2596572 -0.1120020 0.3138076 -0.2419495 0.3893400 -0.1841180 0.9004366 9 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 10 S 3.7121553 0.0000000 0.0509036 0.0000000 3.5866590 0.0000000 0.0780685 0.0000000 3.5712474 11 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 12 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 13 O -1.6788337 -0.7232028 -0.5523791 -0.6526571 -1.4792521 -0.4136832 -0.5260751 -0.4698102 -1.7536293 14 O -1.6788337 0.7232028 -0.5523791 0.6526571 -1.4792521 0.4136832 -0.5260751 0.4698102 -1.7536293 15 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 16 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 17 O -1.7722502 0.6005520 0.2687286 0.6104845 -1.4479875 -0.5032471 0.2808393 -0.5120576 -1.5811134 18 O -1.7722502 -0.6005520 0.2687286 -0.6104845 -1.4479875 0.5032471 0.2808393 0.5120576 -1.5811134 19 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 20 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 21 O -1.1741193 -0.1061934 0.0220652 -0.1311879 -1.6490977 0.0129004 -0.1372364 -0.0577195 -1.7076478 22 O -1.1741193 0.1061934 0.0220652 0.1311879 -1.6490977 -0.0129004 -0.1372364 0.0577195 -1.7076478 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000033 (yyy) 0.00000033 (yyy) 0.00000033 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 9 ] 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: 0.65, Number of G-points: 309, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/165) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 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 1.843 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.931 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.613 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 11.242 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.996 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.335 ( 0.000 0.000 0.000) 0.000 17.477 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 23.125 ( 0.000 0.000 0.000) 0.000 23.174 ( 0.000 0.000 0.000) 0.000 25.302 ( 0.000 0.000 0.000) 0.000 25.816 ( 0.000 0.000 0.000) 0.000 28.064 ( 0.000 0.000 0.000) 0.000 28.099 ( 0.000 0.000 0.000) 0.000 28.808 ( 0.000 0.000 0.000) 0.000 29.243 ( 0.000 0.000 0.000) 0.000 29.305 ( 0.000 0.000 0.000) 0.000 29.521 ( 0.000 0.000 0.000) 0.000 30.555 ( 0.000 0.000 0.000) 0.000 31.219 ( 0.000 0.000 0.000) 0.000 31.240 ( 0.000 0.000 0.000) 0.000 31.481 ( 0.000 0.000 0.000) 0.000 31.758 ( 0.000 0.000 0.000) 0.000 32.090 ( 0.000 0.000 0.000) 0.000 101.155 ( 0.000 0.000 0.000) 0.000 101.239 ( 0.000 0.000 0.000) 0.000 101.261 ( 0.000 0.000 0.000) 0.000 101.283 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/165) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 12.958 -19.436 -3.571) 23.631 0.543 ( 13.460 -19.769 11.629) 26.594 0.963 ( 27.305 -30.782 24.146) 47.709 1.915 ( 0.527 -7.386 -0.652) 7.433 2.058 ( 0.451 -0.497 -1.337) 1.496 2.114 ( -1.074 2.649 0.932) 3.006 2.282 ( -1.850 -2.443 -6.194) 6.911 2.647 ( 0.396 1.071 -0.490) 1.243 2.696 ( -1.839 6.483 1.788) 6.972 3.056 ( 1.444 -2.213 -0.032) 2.642 3.100 ( 2.637 -2.190 2.839) 4.451 3.285 ( -11.010 -7.475 -2.522) 13.545 3.338 ( -11.981 -10.437 -3.868) 16.353 3.486 ( -0.727 6.835 -4.574) 8.256 3.528 ( -0.005 -1.124 1.834) 2.151 3.895 ( 9.060 9.010 -13.754) 18.774 3.994 ( -0.381 -8.705 -0.976) 8.768 4.308 ( 7.524 -6.433 5.789) 11.468 4.952 ( -3.660 4.056 22.638) 23.288 5.085 ( -0.530 2.899 2.040) 3.584 6.271 ( 25.359 21.065 9.942) 34.433 6.460 ( 0.132 3.280 1.418) 3.576 6.511 ( 3.293 3.242 4.236) 6.269 6.923 ( 10.009 18.330 8.064) 22.387 8.453 ( 0.871 -4.126 1.389) 4.440 9.446 ( -2.274 0.192 3.588) 4.252 9.458 ( 3.663 8.308 -7.280) 11.638 9.774 ( 0.098 -8.720 -1.392) 8.831 10.120 ( -0.289 -1.363 0.424) 1.456 10.667 ( -0.618 -0.393 -1.837) 1.978 10.806 ( 5.107 7.591 -4.156) 10.049 11.151 ( -0.308 8.632 -2.681) 9.044 11.892 ( -0.377 1.136 -0.662) 1.368 11.993 ( -0.428 0.410 -0.445) 0.741 12.314 ( 0.486 -10.591 -1.260) 10.677 13.083 ( 1.967 -4.006 0.747) 4.525 13.495 ( -24.722 -16.394 -18.686) 35.058 13.813 ( -0.358 7.492 -0.365) 7.510 14.187 ( -0.134 -1.592 0.482) 1.669 14.658 ( -2.283 -3.045 -1.255) 4.007 17.015 ( -7.648 -6.985 -6.875) 12.432 17.072 ( -1.077 -0.937 0.493) 1.511 17.344 ( 2.019 -0.641 -4.014) 4.538 17.477 ( 0.597 0.414 0.002) 0.727 17.936 ( 0.079 7.825 7.447) 10.802 18.190 ( 1.074 -3.541 15.224) 15.667 23.128 ( 1.395 0.314 -0.721) 1.601 23.183 ( -3.529 -0.006 7.378) 8.179 25.299 ( 0.376 0.506 -0.300) 0.698 26.052 ( -14.035 -8.774 -5.016) 17.295 28.028 ( -0.141 3.095 0.069) 3.099 28.136 ( 0.142 -2.724 0.035) 2.728 28.805 ( -0.898 -0.168 0.182) 0.932 29.237 ( -0.001 0.568 -0.520) 0.770 29.574 ( 1.992 -4.701 0.514) 5.131 29.714 ( -24.568 -21.244 -13.685) 35.244 30.541 ( -0.176 1.205 -0.852) 1.486 31.219 ( -3.482 -0.920 -0.153) 3.604 31.447 ( 0.973 4.717 0.232) 4.821 31.762 ( -4.906 -2.278 9.322) 10.777 32.109 ( 1.445 -0.838 0.951) 1.922 32.770 ( 31.555 23.972 4.592) 39.893 101.211 ( 2.407 3.690 -0.130) 4.408 101.258 ( -0.441 -0.128 1.500) 1.568 101.289 ( -0.752 -1.054 3.549) 3.778 101.553 ( 10.650 19.084 37.934) 43.779 ======================= Grid point 2 (3/165) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 12.085 -18.843 -3.038) 22.590 1.044 ( 12.525 -16.554 11.247) 23.609 1.796 ( 18.374 -22.078 18.187) 33.997 2.000 ( -1.346 -4.582 3.204) 5.750 2.068 ( -2.956 0.229 -2.466) 3.857 2.116 ( 3.193 -5.375 -0.931) 6.320 2.187 ( -4.392 5.444 -4.873) 8.524 2.598 ( -3.421 2.478 0.463) 4.250 2.647 ( 3.999 1.813 1.165) 4.543 3.097 ( 0.076 -0.322 -2.059) 2.085 3.158 ( 1.353 1.405 3.645) 4.134 3.291 ( 0.962 0.445 6.230) 6.320 3.319 ( 0.943 1.281 -1.472) 2.167 3.421 ( -5.996 -6.470 -5.890) 10.607 3.565 ( 3.883 0.225 -0.052) 3.890 3.776 ( 6.005 7.058 -6.327) 11.221 4.147 ( -1.123 -11.338 -3.088) 11.805 4.495 ( 4.795 -2.009 9.825) 11.116 4.988 ( 0.505 0.637 4.340) 4.415 5.042 ( -2.148 0.166 3.843) 4.406 6.247 ( 7.013 9.324 5.276) 12.804 6.360 ( -1.299 5.305 -1.013) 5.555 6.529 ( 6.632 9.021 5.861) 12.638 6.760 ( -5.938 4.172 1.375) 7.386 8.570 ( 1.421 -7.337 2.230) 7.798 9.278 ( -0.361 10.497 -0.934) 10.545 9.505 ( 2.432 -4.222 -1.553) 5.114 9.888 ( -2.408 -6.859 0.037) 7.270 10.153 ( -0.158 -2.946 0.182) 2.956 10.594 ( -0.245 7.382 -5.361) 9.127 10.728 ( 1.010 3.183 -0.011) 3.339 10.977 ( 0.297 9.461 -3.822) 10.209 11.859 ( -0.564 1.697 -0.580) 1.880 11.975 ( -0.480 0.739 -0.467) 0.997 12.514 ( -0.235 -14.210 -2.431) 14.418 13.196 ( 2.282 -6.001 0.600) 6.448 13.353 ( -11.321 1.193 -6.372) 13.045 13.661 ( -0.211 9.404 -0.925) 9.451 14.236 ( 1.142 -3.302 1.553) 3.823 14.658 ( -3.523 -1.230 -1.705) 4.103 17.005 ( -2.876 -2.251 -3.181) 4.843 17.081 ( -1.119 -1.140 0.664) 1.730 17.359 ( 0.543 -1.432 -1.810) 2.371 17.475 ( 0.918 0.895 0.061) 1.284 17.874 ( 0.401 3.638 2.392) 4.372 18.339 ( 1.308 -4.618 8.879) 10.094 23.136 ( 2.201 0.426 -1.151) 2.520 23.187 ( -1.926 -0.555 2.692) 3.356 25.292 ( 0.657 0.722 -0.522) 1.107 26.006 ( -7.987 -2.527 -1.320) 8.481 27.978 ( -0.158 2.809 0.054) 2.814 28.180 ( 0.299 -2.193 0.157) 2.219 28.798 ( -1.173 -0.229 0.181) 1.209 29.222 ( 0.055 0.791 -0.768) 1.104 29.697 ( -1.005 -7.806 -2.585) 8.284 29.730 ( -6.602 -8.923 -2.800) 11.448 30.509 ( -0.261 1.611 -1.051) 1.941 31.191 ( -6.168 -2.989 -1.879) 7.107 31.361 ( 2.455 8.353 1.623) 8.856 31.811 ( -2.005 -2.961 5.243) 6.347 32.149 ( 1.495 -1.093 1.295) 2.260 32.734 ( 14.190 12.295 0.831) 18.794 101.180 ( 1.263 2.362 -0.335) 2.700 101.266 ( 0.321 -0.130 0.656) 0.742 101.312 ( -1.821 -1.307 2.591) 3.426 101.573 ( 5.283 7.454 15.785) 18.239 ======================= Grid point 3 (4/165) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 10.223 -16.814 -2.299) 19.812 1.455 ( 10.233 -11.541 9.340) 18.032 1.889 ( -4.467 9.883 2.852) 11.215 1.914 ( -7.446 1.746 -8.395) 11.356 2.099 ( -0.916 0.773 2.282) 2.577 2.190 ( -0.124 -2.695 -2.085) 3.409 2.458 ( 5.249 -11.270 12.017) 17.291 2.551 ( 3.947 -4.189 4.935) 7.581 2.704 ( 4.931 -1.467 0.094) 5.146 3.052 ( 0.553 4.082 -6.147) 7.400 3.087 ( -2.908 3.965 3.200) 5.867 3.322 ( -0.636 -0.889 1.220) 1.638 3.364 ( -0.207 0.632 -2.993) 3.066 3.435 ( 5.292 -0.440 1.316) 5.471 3.600 ( 2.073 -2.137 -2.054) 3.617 3.750 ( 2.992 0.140 -1.783) 3.486 4.289 ( -0.724 -8.637 -1.712) 8.835 4.566 ( 1.748 1.717 2.945) 3.830 4.950 ( 0.069 4.723 6.111) 7.724 5.122 ( 0.509 -5.708 0.629) 5.765 6.165 ( -4.152 3.461 2.414) 5.920 6.262 ( 5.834 12.186 1.265) 13.570 6.422 ( -3.192 2.683 -0.718) 4.231 6.735 ( -1.240 -1.715 2.173) 3.033 8.735 ( 1.421 -9.208 2.138) 9.559 9.098 ( -0.795 10.329 -0.867) 10.396 9.623 ( 4.414 -6.259 -0.321) 7.665 9.915 ( -5.259 -0.616 0.021) 5.295 10.222 ( 0.890 -4.974 -0.195) 5.056 10.430 ( 0.126 7.418 -4.095) 8.474 10.683 ( -1.214 3.405 0.739) 3.690 10.841 ( 1.129 5.018 -2.979) 5.943 11.826 ( -0.407 1.256 -0.302) 1.355 11.957 ( -0.311 0.622 -0.268) 0.746 12.728 ( 0.225 -13.847 -2.537) 14.079 13.156 ( -5.467 8.382 -2.585) 10.335 13.315 ( 0.439 -5.449 1.911) 5.792 13.516 ( 0.364 7.403 -1.463) 7.555 14.338 ( 3.450 -4.605 2.660) 6.339 14.597 ( -4.684 1.973 -2.384) 5.614 16.993 ( -1.217 -0.719 -1.444) 2.021 17.090 ( -0.596 -0.688 0.447) 1.014 17.379 ( 0.066 -1.476 -0.925) 1.743 17.468 ( 0.743 1.049 0.150) 1.295 17.848 ( 0.297 1.393 1.011) 1.747 18.453 ( 0.861 -2.941 4.444) 5.398 23.146 ( 1.873 0.322 -0.974) 2.136 23.189 ( -1.269 -0.484 1.106) 1.752 25.285 ( 0.572 0.513 -0.447) 0.889 25.959 ( -4.330 -0.582 -0.184) 4.373 27.939 ( -0.128 1.659 0.016) 1.664 28.212 ( 0.233 -1.215 0.132) 1.244 28.791 ( -0.790 -0.147 0.111) 0.811 29.207 ( 0.081 0.548 -0.555) 0.784 29.722 ( -4.342 -4.371 -3.341) 7.009 29.856 ( 2.004 -5.617 1.312) 6.106 30.477 ( -0.239 1.207 -0.754) 1.443 31.173 ( -6.922 -5.618 -3.889) 9.727 31.261 ( 4.470 9.864 3.702) 11.445 31.864 ( -0.934 -2.360 2.796) 3.776 32.182 ( 0.646 -0.690 0.943) 1.335 32.692 ( 6.525 6.349 -0.327) 9.110 101.159 ( 0.554 1.146 -0.217) 1.292 101.275 ( 0.448 -0.049 0.258) 0.519 101.322 ( -1.356 -0.714 1.537) 2.170 101.595 ( 2.496 2.851 6.558) 7.574 ======================= Grid point 4 (5/165) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -0.000 0.000 -0.000) 0.000 1.623 ( 0.000 -0.000 0.000) 0.000 1.683 ( -0.000 -0.000 -0.000) 0.000 1.823 ( 0.000 -0.000 0.000) 0.000 2.101 ( 0.000 -0.000 0.000) 0.000 2.188 ( 0.000 -0.000 0.000) 0.000 2.482 ( -0.000 -0.000 0.000) 0.000 2.753 ( 0.000 -0.000 0.000) 0.000 2.859 ( -0.000 0.000 -0.000) 0.000 2.889 ( 0.000 -0.000 0.000) 0.000 3.070 ( 0.000 -0.000 0.000) 0.000 3.285 ( 0.000 -0.000 0.000) 0.000 3.357 ( 0.000 -0.000 -0.000) 0.000 3.480 ( 0.000 -0.000 0.000) 0.000 3.637 ( -0.000 -0.000 -0.000) 0.000 3.767 ( 0.000 -0.000 -0.000) 0.000 4.364 ( 0.000 -0.000 0.000) 0.000 4.552 ( 0.000 -0.000 0.000) 0.000 4.931 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 6.125 ( 0.000 -0.000 0.000) 0.000 6.162 ( 0.000 -0.000 -0.000) 0.000 6.394 ( -0.000 -0.000 -0.000) 0.000 6.753 ( 0.000 -0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 -0.000 0.000) 0.000 9.755 ( -0.000 -0.000 0.000) 0.000 9.830 ( 0.000 -0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.340 ( 0.000 -0.000 0.000) 0.000 10.635 ( 0.000 -0.000 0.000) 0.000 10.803 ( 0.000 -0.000 0.000) 0.000 11.812 ( 0.000 -0.000 0.000) 0.000 11.949 ( 0.000 -0.000 0.000) 0.000 12.923 ( -0.000 0.000 0.000) 0.000 12.961 ( 0.000 -0.000 -0.000) 0.000 13.402 ( 0.000 0.000 -0.000) 0.000 13.419 ( -0.000 -0.000 0.000) 0.000 14.466 ( -0.000 0.000 -0.000) 0.000 14.485 ( 0.000 -0.000 0.000) 0.000 16.988 ( 0.000 -0.000 0.000) 0.000 17.094 ( 0.000 -0.000 0.000) 0.000 17.390 ( 0.000 -0.000 0.000) 0.000 17.463 ( 0.000 -0.000 0.000) 0.000 17.842 ( 0.000 -0.000 0.000) 0.000 18.494 ( 0.000 -0.000 0.000) 0.000 23.151 ( 0.000 -0.000 -0.000) 0.000 23.189 ( -0.000 -0.000 0.000) 0.000 25.283 ( 0.000 -0.000 0.000) 0.000 25.939 ( 0.000 -0.000 0.000) 0.000 27.925 ( 0.000 -0.000 0.000) 0.000 28.223 ( 0.000 -0.000 0.000) 0.000 28.788 ( -0.000 -0.000 0.000) 0.000 29.201 ( -0.000 -0.000 0.000) 0.000 29.725 ( 0.000 -0.000 0.000) 0.000 29.922 ( 0.000 -0.000 -0.000) 0.000 30.462 ( 0.000 -0.000 0.000) 0.000 31.190 ( 0.000 0.000 0.000) 0.000 31.192 ( -0.000 -0.000 -0.000) 0.000 31.888 ( 0.000 -0.000 0.000) 0.000 32.194 ( -0.000 -0.000 0.000) 0.000 32.673 ( 0.000 -0.000 0.000) 0.000 101.152 ( 0.000 -0.000 0.000) 0.000 101.279 ( -0.000 -0.000 0.000) 0.000 101.325 ( 0.000 -0.000 0.000) 0.000 101.604 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/165) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 18.411 -0.000 11.446) 21.679 0.636 ( 22.868 -0.000 12.471) 26.047 1.292 ( 41.235 -0.000 30.752) 51.439 1.871 ( 3.311 -0.000 -1.051) 3.474 2.034 ( -0.774 0.000 -3.346) 3.434 2.142 ( -1.761 0.000 3.080) 3.547 2.214 ( 0.577 -0.000 -6.631) 6.656 2.656 ( -0.084 0.000 0.305) 0.316 2.704 ( -4.660 0.000 -1.123) 4.793 2.886 ( 0.435 -0.000 1.204) 1.281 3.123 ( 4.240 -0.000 4.823) 6.422 3.203 ( 7.795 -0.000 8.510) 11.541 3.329 ( -0.282 0.000 0.353) 0.451 3.563 ( 3.060 -0.000 -0.430) 3.090 3.583 ( -3.041 0.000 8.024) 8.581 3.817 ( 1.614 -0.000 -9.516) 9.652 4.085 ( 9.337 -0.000 -15.821) 18.371 4.334 ( 6.638 -0.000 17.086) 18.330 5.000 ( -10.167 0.000 12.184) 15.869 5.105 ( 0.070 -0.000 0.364) 0.370 6.422 ( -6.805 0.000 -2.412) 7.219 6.425 ( -2.642 0.000 0.553) 2.699 6.593 ( -3.471 0.000 4.204) 5.452 7.595 ( -10.626 0.000 4.661) 11.603 8.445 ( 1.588 -0.000 2.637) 3.079 9.423 ( 1.691 -0.000 -2.413) 2.946 9.595 ( -1.538 0.000 -0.084) 1.540 9.646 ( 4.344 -0.000 -10.346) 11.221 10.110 ( -0.480 0.000 1.025) 1.131 10.659 ( 1.337 -0.000 -1.423) 1.952 10.905 ( 3.530 -0.000 -14.775) 15.191 11.185 ( -2.563 0.000 -4.983) 5.604 11.911 ( 0.725 -0.000 -0.824) 1.097 11.989 ( -0.355 0.000 -0.358) 0.505 12.226 ( 0.784 -0.000 -4.119) 4.193 12.858 ( 0.525 -0.000 -2.050) 2.116 13.098 ( 3.061 -0.000 4.389) 5.351 13.884 ( 0.140 -0.000 -0.073) 0.158 14.194 ( 1.519 -0.000 0.400) 1.571 14.596 ( -2.573 0.000 -1.328) 2.895 16.856 ( -1.011 0.000 0.781) 1.278 17.062 ( -0.633 0.000 0.386) 0.741 17.333 ( 0.625 -0.000 -2.798) 2.867 17.490 ( 1.085 -0.000 0.027) 1.085 18.046 ( -0.426 0.000 -0.647) 0.775 18.204 ( -8.632 0.000 19.953) 21.740 23.146 ( 2.930 -0.000 -2.028) 3.563 23.185 ( -6.914 0.000 11.251) 13.205 25.316 ( 1.006 -0.000 0.472) 1.111 25.794 ( -3.121 0.000 2.298) 3.876 28.068 ( -0.080 0.000 0.794) 0.798 28.101 ( 0.412 -0.000 -0.449) 0.609 28.791 ( -1.506 0.000 0.331) 1.542 29.226 ( -0.015 0.000 -2.761) 2.761 29.292 ( -1.519 0.000 0.430) 1.578 29.570 ( 3.610 -0.000 0.937) 3.730 30.533 ( -1.529 0.000 -0.898) 1.773 31.215 ( -2.266 0.000 0.821) 2.410 31.501 ( 2.033 -0.000 0.341) 2.061 31.755 ( -2.794 0.000 8.609) 9.051 32.136 ( 3.321 -0.000 0.913) 3.445 33.202 ( 1.732 -0.000 -9.930) 10.079 101.221 ( 0.180 -0.000 -3.355) 3.359 101.278 ( -2.124 0.000 3.140) 3.791 101.279 ( 1.603 -0.000 0.065) 1.604 102.047 ( -22.381 0.000 39.494) 45.395 ======================= Grid point 11 (7/165) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 17.781 -6.686 7.846) 20.553 1.041 ( 17.982 -10.623 11.774) 23.976 1.905 ( 19.014 -8.471 14.289) 25.248 1.922 ( 2.850 0.058 -1.164) 3.079 2.025 ( 0.173 -1.759 -2.596) 3.140 2.152 ( 9.535 -0.717 6.992) 11.845 2.215 ( 3.135 -0.125 0.993) 3.291 2.609 ( -4.503 3.620 1.635) 6.005 2.675 ( 0.642 -0.973 -1.350) 1.784 2.961 ( -3.761 -6.835 0.040) 7.801 3.204 ( 2.572 -0.759 4.194) 4.978 3.289 ( 0.104 2.016 2.748) 3.410 3.359 ( 4.841 -0.342 5.741) 7.517 3.472 ( 1.964 7.354 -0.076) 7.612 3.625 ( 3.411 -0.479 4.294) 5.505 3.911 ( 3.502 -8.764 -7.598) 12.116 4.002 ( 5.964 7.762 -6.762) 11.897 4.558 ( 5.906 -3.861 12.276) 14.159 4.967 ( -4.100 -1.629 4.136) 6.047 5.095 ( 0.400 2.652 3.322) 4.269 6.302 ( -8.362 3.522 -1.440) 9.187 6.377 ( -2.376 0.699 0.263) 2.491 6.613 ( -5.065 -4.507 4.114) 7.930 7.177 ( -1.512 31.989 4.914) 32.400 8.512 ( 1.804 -3.844 3.219) 5.328 9.438 ( 0.168 10.323 -2.770) 10.689 9.457 ( 2.365 -3.128 -2.293) 4.543 9.748 ( -0.648 -7.762 -1.625) 7.956 10.121 ( -0.424 -1.223 1.250) 1.800 10.648 ( 0.885 2.997 -3.000) 4.332 10.801 ( 0.792 4.892 -6.677) 8.315 11.070 ( -2.228 5.911 -6.883) 9.342 11.884 ( 0.475 2.387 -0.916) 2.600 11.980 ( -0.245 0.479 -0.415) 0.679 12.293 ( -0.122 -9.694 -3.109) 10.181 13.021 ( -5.253 -14.455 -8.181) 17.420 13.191 ( 2.187 -3.391 5.908) 7.154 13.818 ( 0.542 7.676 0.078) 7.696 14.224 ( 2.202 -1.332 1.024) 2.770 14.577 ( -3.800 -2.106 -1.860) 4.726 16.894 ( -2.150 -4.604 -0.609) 5.117 17.063 ( -0.566 -0.546 0.741) 1.080 17.330 ( -0.331 -0.976 -1.424) 1.758 17.499 ( 1.280 0.497 0.080) 1.376 17.967 ( -0.514 5.780 1.589) 6.017 18.295 ( -3.173 -6.170 9.738) 11.956 23.161 ( 0.687 0.594 0.612) 1.095 23.177 ( -0.855 -0.306 1.906) 2.111 25.318 ( 1.269 1.325 0.331) 1.865 25.836 ( -6.301 -6.294 1.552) 9.040 28.028 ( -0.049 3.381 0.282) 3.393 28.143 ( 0.416 -2.866 0.144) 2.900 28.780 ( -1.501 -0.327 0.412) 1.590 29.220 ( -0.245 -0.145 -2.108) 2.127 29.379 ( -5.376 -12.213 -3.023) 13.682 29.654 ( 3.957 -4.323 1.036) 5.951 30.505 ( -1.679 0.383 -1.436) 2.242 31.167 ( -2.547 2.905 1.358) 4.095 31.508 ( 3.853 3.586 2.115) 5.673 31.787 ( -1.223 -1.547 5.457) 5.802 32.177 ( 3.211 0.281 1.367) 3.501 33.040 ( 3.148 12.127 -5.680) 13.756 101.197 ( 0.186 0.576 -3.797) 3.845 101.266 ( -2.120 0.316 3.686) 4.263 101.306 ( 1.552 -0.542 0.091) 1.646 101.894 ( -6.917 13.162 22.174) 26.698 ======================= Grid point 12 (8/165) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 13.830 -9.668 4.102) 17.366 1.439 ( 12.557 -10.112 8.927) 18.429 1.868 ( -1.412 3.289 -5.007) 6.155 1.994 ( -0.771 2.882 1.336) 3.269 2.091 ( -0.488 -5.435 1.629) 5.695 2.165 ( 1.461 4.329 0.761) 4.632 2.491 ( -4.685 4.755 0.492) 6.693 2.597 ( 16.919 -6.805 13.558) 22.724 2.741 ( 7.844 -2.433 5.288) 9.767 2.989 ( -5.759 -3.804 -1.906) 7.161 3.174 ( -1.358 6.576 -0.363) 6.725 3.274 ( -1.383 -1.408 0.148) 1.979 3.371 ( 0.484 1.880 1.793) 2.643 3.503 ( 7.369 2.096 2.276) 7.992 3.707 ( 5.592 -0.598 4.575) 7.249 3.861 ( 8.261 9.940 -5.159) 13.916 4.105 ( 0.253 -11.797 -2.184) 12.000 4.645 ( 1.653 3.012 4.148) 5.386 4.988 ( -2.469 -1.214 -2.940) 4.026 5.119 ( 3.955 0.048 11.149) 11.829 6.148 ( -7.693 3.322 -0.493) 8.394 6.364 ( -1.830 -1.363 0.174) 2.288 6.613 ( -8.567 4.937 1.770) 10.045 6.747 ( 2.947 16.828 3.382) 17.416 8.634 ( 1.562 -6.692 2.809) 7.424 9.255 ( -0.569 10.573 -1.259) 10.662 9.557 ( 3.903 -6.554 -1.595) 7.792 9.831 ( -2.638 -4.267 0.121) 5.018 10.161 ( 0.448 -3.310 1.084) 3.512 10.520 ( -1.190 7.629 -5.467) 9.460 10.735 ( 0.562 2.886 -0.492) 2.981 10.909 ( -1.072 6.085 -6.762) 9.160 11.845 ( -0.121 2.068 -0.544) 2.142 11.966 ( 0.031 0.738 -0.431) 0.855 12.473 ( -0.301 -14.440 -3.317) 14.819 13.078 ( -5.635 -5.148 -5.725) 9.542 13.290 ( 2.151 -2.317 4.458) 5.466 13.681 ( 1.767 10.020 0.423) 10.183 14.308 ( 3.142 -4.560 1.971) 5.878 14.541 ( -4.991 -0.402 -2.430) 5.565 16.934 ( -1.699 -3.390 -0.914) 3.900 17.075 ( -0.272 -0.873 0.818) 1.227 17.341 ( -0.768 -1.816 -0.678) 2.085 17.500 ( 1.111 1.156 0.168) 1.612 17.896 ( -0.168 3.581 1.194) 3.778 18.404 ( -2.002 -5.291 4.513) 7.236 23.152 ( -2.009 0.117 2.013) 2.846 23.192 ( 2.939 0.142 -2.167) 3.654 25.307 ( 0.749 1.465 0.313) 1.675 25.867 ( -4.808 -4.396 1.278) 6.639 27.976 ( -0.077 2.935 0.070) 2.937 28.190 ( 0.385 -2.063 0.315) 2.122 28.776 ( -1.032 -0.592 0.409) 1.258 29.205 ( -0.398 0.114 -1.596) 1.649 29.499 ( -5.112 -11.679 -3.678) 13.269 29.789 ( 3.012 -6.296 0.995) 7.049 30.473 ( -1.317 0.350 -1.575) 2.083 31.097 ( -2.922 2.441 0.464) 3.835 31.495 ( 6.234 7.202 5.630) 11.065 31.838 ( 0.385 -2.490 2.317) 3.423 32.203 ( 1.518 0.891 2.091) 2.733 32.853 ( 1.021 9.937 -5.237) 11.279 101.168 ( -0.041 0.656 -2.945) 3.018 101.262 ( -2.448 -0.324 3.085) 3.951 101.329 ( 2.166 0.005 -0.574) 2.241 101.765 ( -1.924 9.129 11.783) 15.029 ======================= Grid point 13 (9/165) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.170 -9.212 -2.799) 10.928 1.679 ( 5.065 -0.053 1.856) 5.395 1.767 ( 2.181 6.434 1.583) 6.975 1.947 ( 1.198 4.891 9.176) 10.467 2.108 ( 1.107 1.167 0.276) 1.631 2.160 ( -1.231 -1.698 -0.123) 2.101 2.405 ( -4.640 -2.006 -0.388) 5.070 2.762 ( 1.698 -1.839 -1.296) 2.818 2.925 ( 4.965 -0.380 4.214) 6.523 2.996 ( 3.286 4.978 0.037) 5.965 3.023 ( -3.336 3.498 1.471) 5.052 3.278 ( -0.727 -0.546 -1.119) 1.442 3.339 ( -0.614 0.909 -2.268) 2.520 3.499 ( 1.695 4.944 2.500) 5.794 3.786 ( 0.183 1.567 1.125) 1.937 3.803 ( 10.354 6.175 3.706) 12.612 4.284 ( 1.277 -9.519 -0.345) 9.610 4.596 ( 0.024 4.498 0.887) 4.585 4.925 ( -2.499 2.032 -5.019) 5.963 5.223 ( 3.151 0.724 7.686) 8.339 6.047 ( -5.382 0.042 0.070) 5.383 6.326 ( -0.902 9.464 -1.255) 9.589 6.396 ( 1.032 2.461 1.949) 3.305 6.710 ( -3.292 -2.230 0.207) 3.982 8.786 ( 1.154 -8.421 1.770) 8.682 9.068 ( -0.900 10.751 -1.183) 10.853 9.727 ( 4.654 -7.936 0.537) 9.216 9.809 ( -3.949 1.728 -0.267) 4.319 10.249 ( 1.181 -5.009 1.151) 5.273 10.379 ( -1.158 4.644 -2.895) 5.594 10.676 ( -0.078 4.359 0.686) 4.414 10.801 ( -0.584 1.822 -4.794) 5.162 11.815 ( -0.307 0.907 -0.256) 0.991 11.955 ( 0.315 0.477 -0.330) 0.660 12.707 ( 0.469 -16.070 -2.392) 16.254 13.025 ( -3.706 2.311 -1.810) 4.727 13.368 ( 1.743 -2.447 2.787) 4.098 13.551 ( 2.701 9.223 0.703) 9.636 14.442 ( 0.285 -3.084 0.334) 3.116 14.463 ( -1.807 -1.037 -0.905) 2.272 16.963 ( -0.723 -2.378 -0.253) 2.499 17.091 ( 0.127 -0.587 0.449) 0.749 17.362 ( -1.017 -2.046 -0.084) 2.287 17.487 ( 0.668 1.674 0.222) 1.816 17.856 ( -0.268 1.792 0.425) 1.862 18.462 ( -2.112 -2.567 0.352) 3.342 23.139 ( -2.148 -0.080 1.400) 2.565 23.206 ( 2.716 0.496 -2.031) 3.427 25.292 ( -0.118 1.041 0.592) 1.204 25.904 ( -1.164 -3.595 0.909) 3.886 27.937 ( -0.012 1.612 -0.017) 1.612 28.219 ( 0.195 -0.838 0.256) 0.897 28.781 ( -0.309 -0.696 0.303) 0.820 29.193 ( -0.522 -0.261 -0.941) 1.107 29.611 ( -2.727 -9.510 -2.508) 10.206 29.904 ( 1.248 -3.541 0.600) 3.802 30.452 ( -0.785 -0.205 -1.112) 1.376 31.048 ( -2.955 -1.050 -0.947) 3.276 31.473 ( 8.127 9.780 8.571) 15.335 31.894 ( 3.230 -1.226 -1.177) 3.650 32.205 ( -0.908 1.051 3.240) 3.525 32.681 ( -3.469 5.730 -6.054) 9.029 101.145 ( -0.393 0.153 -2.176) 2.217 101.258 ( -2.349 -0.549 1.967) 3.113 101.345 ( 2.611 0.469 -1.412) 3.005 101.672 ( -1.435 6.404 5.183) 8.362 ======================= Grid point 14 (10/165) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -5.950 4.787 -9.014) 11.814 1.503 ( -4.298 18.514 5.367) 19.749 1.837 ( 8.523 -3.846 0.910) 9.395 2.022 ( 6.065 -1.399 7.673) 9.880 2.122 ( 2.386 1.858 -0.836) 3.137 2.176 ( -1.303 -3.386 2.013) 4.149 2.452 ( -2.087 -6.388 1.309) 6.846 2.677 ( -3.530 21.154 -9.457) 23.439 2.706 ( -3.571 5.903 -2.897) 7.483 3.016 ( 1.057 -5.970 -4.967) 7.838 3.051 ( 1.517 0.235 5.793) 5.993 3.305 ( -0.472 -1.558 -0.013) 1.628 3.326 ( -1.725 -1.732 2.188) 3.281 3.417 ( -2.163 6.377 1.895) 6.996 3.725 ( 0.002 4.100 -1.489) 4.363 3.820 ( 4.681 6.320 6.953) 10.497 4.393 ( 2.130 0.133 0.736) 2.257 4.538 ( -1.719 2.221 0.363) 2.832 4.846 ( -1.637 -1.323 -7.237) 7.537 5.221 ( 0.822 5.552 2.632) 6.199 6.017 ( -5.427 -2.676 -1.439) 6.220 6.246 ( 5.396 1.803 -0.090) 5.690 6.417 ( 0.296 -1.450 0.801) 1.683 6.710 ( -2.363 -2.624 -1.668) 3.905 8.874 ( -0.942 10.539 -1.351) 10.666 8.950 ( 0.679 -9.322 0.833) 9.384 9.680 ( -3.394 6.042 0.162) 6.932 9.931 ( 5.061 -6.731 0.475) 8.434 10.288 ( -1.030 3.716 0.219) 3.863 10.344 ( -0.509 -4.028 1.431) 4.304 10.654 ( 1.728 -1.314 0.186) 2.179 10.772 ( -1.773 -1.793 -1.613) 2.993 11.810 ( -0.127 -0.789 -0.025) 0.800 11.956 ( 0.532 -0.229 -0.048) 0.581 12.910 ( -0.998 7.130 0.589) 7.224 12.977 ( 1.316 -15.779 -0.837) 15.855 13.430 ( 2.668 5.843 -0.855) 6.480 13.457 ( 0.795 -1.205 3.755) 4.023 14.346 ( -3.645 2.893 -2.517) 5.291 14.595 ( 3.389 -5.008 1.823) 6.316 16.996 ( 0.216 -1.891 0.706) 2.030 17.101 ( 0.540 -0.055 0.004) 0.543 17.380 ( -1.070 -1.207 0.547) 1.704 17.466 ( 0.138 1.311 0.104) 1.322 17.834 ( -0.438 0.556 -0.354) 0.791 18.443 ( -2.377 0.986 -2.871) 3.856 23.126 ( -1.950 -0.158 1.069) 2.230 23.210 ( 1.865 0.761 -1.467) 2.492 25.281 ( -0.537 0.277 0.740) 0.955 25.971 ( 2.084 -3.431 0.688) 4.073 27.925 ( 0.078 -0.114 -0.033) 0.141 28.224 ( -0.022 0.432 0.100) 0.444 28.794 ( 0.325 -0.590 0.145) 0.689 29.193 ( -0.446 -0.804 -0.259) 0.956 29.723 ( 0.080 -7.084 -0.532) 7.104 29.913 ( -0.555 3.144 -0.120) 3.195 30.454 ( -0.440 -1.269 -0.382) 1.396 31.074 ( -1.992 -6.451 -1.325) 6.880 31.450 ( 9.136 10.449 9.372) 16.747 31.917 ( 6.061 2.768 -4.779) 8.200 32.192 ( -2.281 0.953 4.166) 4.845 32.531 ( -9.444 -0.188 -6.240) 11.321 101.131 ( -0.830 -0.553 -1.876) 2.125 101.252 ( -1.905 -0.578 0.913) 2.190 101.354 ( 2.880 0.820 -2.229) 3.733 101.576 ( -2.489 5.047 0.746) 5.677 ======================= Grid point 15 (11/165) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -7.905 19.234 -1.183) 20.828 1.195 ( -2.090 18.163 0.003) 18.282 1.962 ( 5.020 1.471 -2.036) 5.614 2.066 ( -1.517 8.052 -5.088) 9.645 2.086 ( -7.767 14.135 -3.346) 16.472 2.226 ( 0.046 8.429 1.292) 8.527 2.242 ( 10.825 -3.984 7.120) 13.556 2.528 ( -5.851 -2.971 0.227) 6.566 2.591 ( -0.446 -0.232 -4.367) 4.396 3.066 ( -0.471 -3.368 -0.028) 3.401 3.122 ( 2.807 0.130 -1.304) 3.098 3.226 ( -7.402 0.615 1.169) 7.519 3.323 ( 1.599 2.800 -1.556) 3.580 3.407 ( -2.581 -5.450 2.342) 6.469 3.672 ( 1.328 1.193 -1.847) 2.569 3.809 ( 4.640 5.797 9.681) 12.201 4.341 ( 1.264 8.522 2.418) 8.948 4.439 ( -3.733 4.412 -6.669) 8.825 4.889 ( -0.134 -6.919 -2.283) 7.287 5.110 ( -0.339 8.050 -1.893) 8.276 5.973 ( -8.053 -2.179 -3.177) 8.928 6.335 ( 5.641 -3.484 0.701) 6.667 6.437 ( -2.161 -1.909 -0.885) 3.016 6.749 ( 1.401 -3.615 -0.863) 3.972 8.690 ( -0.724 9.783 -1.021) 9.863 9.118 ( 0.353 -10.125 0.358) 10.138 9.561 ( -1.631 5.009 0.388) 5.282 10.005 ( 2.649 3.375 -0.192) 4.295 10.212 ( -0.366 4.085 0.320) 4.113 10.460 ( -0.611 -10.101 2.491) 10.421 10.702 ( 1.048 -0.571 -0.693) 1.380 10.830 ( -1.214 -8.477 0.824) 8.603 11.835 ( 0.134 -2.001 0.146) 2.011 11.971 ( 0.460 -0.755 0.181) 0.903 12.747 ( -0.015 12.256 1.059) 12.301 13.260 ( 2.592 -15.935 -0.541) 16.153 13.303 ( -0.529 8.530 0.751) 8.579 13.572 ( 1.962 -6.593 2.429) 7.295 14.269 ( -0.745 2.374 -1.124) 2.730 14.692 ( 2.070 -2.038 1.012) 3.076 17.036 ( 0.716 -1.543 1.279) 2.129 17.106 ( 0.998 0.190 -0.051) 1.017 17.379 ( -0.785 0.677 0.936) 1.396 17.456 ( -0.254 -0.251 -0.047) 0.360 17.826 ( -0.459 -0.678 -0.887) 1.207 18.353 ( -2.081 4.453 -4.090) 6.394 23.117 ( -1.215 -0.251 0.647) 1.399 23.205 ( 0.964 0.920 -1.003) 1.668 25.281 ( -0.347 -0.392 0.498) 0.723 26.062 ( 3.286 -3.355 0.808) 4.765 27.942 ( 0.091 -1.719 -0.019) 1.721 28.207 ( -0.109 1.503 -0.017) 1.507 28.806 ( 0.491 -0.295 0.008) 0.573 29.206 ( -0.204 -1.151 0.106) 1.174 29.807 ( -1.117 7.498 -0.580) 7.603 29.839 ( 2.744 -4.935 1.678) 5.891 30.476 ( -0.394 -2.036 -0.012) 2.074 31.189 ( -0.742 -9.408 -0.661) 9.460 31.429 ( 8.124 9.685 7.168) 14.532 31.882 ( 5.654 5.365 -5.336) 9.446 32.165 ( -1.208 2.319 1.975) 3.277 32.424 ( -13.267 -5.315 -4.308) 14.927 101.122 ( -1.319 -1.124 -2.038) 2.675 101.247 ( -1.127 -0.555 0.170) 1.268 101.355 ( 3.202 1.259 -2.600) 4.313 101.462 ( -4.010 4.327 -1.443) 6.073 ======================= Grid point 16 (12/165) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.000 22.059 0.000) 22.059 0.847 ( -0.000 23.006 0.000) 23.006 1.389 ( -0.000 40.387 0.000) 40.387 2.050 ( 0.000 -1.311 -0.000) 1.311 2.052 ( -0.000 3.257 0.000) 3.257 2.104 ( -0.000 5.538 0.000) 5.538 2.387 ( -0.000 4.683 0.000) 4.683 2.526 ( 0.000 -11.222 -0.000) 11.222 2.627 ( 0.000 -1.965 -0.000) 1.965 3.077 ( -0.000 2.094 0.000) 2.094 3.099 ( 0.000 -0.156 -0.000) 0.156 3.249 ( 0.000 -3.859 -0.000) 3.859 3.335 ( 0.000 -4.678 -0.000) 4.678 3.465 ( 0.000 -2.783 -0.000) 2.783 3.711 ( 0.000 -5.388 -0.000) 5.388 3.833 ( -0.000 2.041 0.000) 2.041 4.190 ( -0.000 11.355 0.000) 11.355 4.285 ( -0.000 6.435 0.000) 6.435 4.935 ( -0.000 6.966 0.000) 6.966 5.010 ( 0.000 -4.113 -0.000) 4.113 5.915 ( 0.000 -0.414 -0.000) 0.414 6.424 ( 0.000 -1.334 -0.000) 1.334 6.457 ( 0.000 -4.274 -0.000) 4.274 6.816 ( 0.000 -3.055 -0.000) 3.055 8.540 ( -0.000 7.564 0.000) 7.564 9.288 ( 0.000 -10.396 -0.000) 10.396 9.489 ( -0.000 3.129 0.000) 3.129 9.916 ( -0.000 7.894 0.000) 7.894 10.156 ( -0.000 2.866 0.000) 2.866 10.645 ( 0.000 -10.518 -0.000) 10.518 10.695 ( -0.000 0.911 0.000) 0.911 10.993 ( 0.000 -10.858 -0.000) 10.858 11.871 ( 0.000 -2.016 -0.000) 2.016 11.987 ( 0.000 -0.757 -0.000) 0.757 12.531 ( -0.000 14.358 0.000) 14.358 13.165 ( -0.000 7.339 0.000) 7.339 13.533 ( 0.000 -14.721 -0.000) 14.721 13.718 ( 0.000 -7.988 -0.000) 7.988 14.230 ( -0.000 2.236 0.000) 2.236 14.713 ( -0.000 1.142 0.000) 1.142 17.064 ( 0.000 -0.673 -0.000) 0.673 17.120 ( 0.000 -0.663 -0.000) 0.663 17.359 ( -0.000 1.271 0.000) 1.271 17.464 ( 0.000 -0.743 -0.000) 0.743 17.840 ( 0.000 -2.073 -0.000) 2.073 18.230 ( -0.000 6.736 0.000) 6.736 23.117 ( 0.000 -0.335 -0.000) 0.335 23.191 ( -0.000 0.901 0.000) 0.901 25.289 ( 0.000 -0.630 -0.000) 0.630 26.143 ( 0.000 -3.120 -0.000) 3.120 27.980 ( 0.000 -2.803 -0.000) 2.803 28.175 ( -0.000 2.236 0.000) 2.236 28.811 ( -0.000 0.036 0.000) 0.036 29.224 ( 0.000 -1.065 -0.000) 1.065 29.667 ( -0.000 7.856 0.000) 7.856 29.953 ( 0.000 -4.560 -0.000) 4.560 30.508 ( 0.000 -2.221 -0.000) 2.221 31.332 ( 0.000 -8.378 -0.000) 8.378 31.360 ( -0.000 7.871 0.000) 7.871 31.819 ( -0.000 4.023 0.000) 4.023 32.124 ( -0.000 2.074 0.000) 2.074 32.393 ( 0.000 -3.692 -0.000) 3.692 101.120 ( 0.000 -1.043 -0.000) 1.043 101.250 ( 0.000 -0.531 -0.000) 0.531 101.340 ( -0.000 5.101 0.000) 5.101 101.363 ( -0.000 0.275 0.000) 0.275 ======================= Grid point 19 (13/165) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 15.627 -0.000 10.273) 18.701 1.229 ( 20.001 -0.000 10.285) 22.491 1.931 ( 4.894 -0.000 -1.039) 5.003 1.954 ( -0.768 0.000 -4.860) 4.920 2.050 ( -0.946 0.000 3.707) 3.826 2.228 ( 5.515 -0.000 -4.025) 6.827 2.445 ( 18.845 -0.000 13.595) 23.237 2.646 ( -1.210 0.000 0.414) 1.279 2.664 ( 7.985 -0.000 12.030) 14.438 2.902 ( -1.070 0.000 1.864) 2.149 3.257 ( 2.342 -0.000 4.709) 5.259 3.303 ( -1.705 0.000 0.141) 1.711 3.491 ( 7.026 -0.000 9.841) 12.092 3.519 ( -3.262 0.000 -0.453) 3.294 3.714 ( 1.753 -0.000 10.228) 10.377 3.769 ( 5.260 -0.000 -11.410) 12.564 4.123 ( 8.632 -0.000 -10.846) 13.861 4.668 ( 6.440 -0.000 11.876) 13.510 4.920 ( -3.443 0.000 0.411) 3.468 5.161 ( 2.626 -0.000 7.611) 8.052 6.225 ( -8.469 0.000 -2.643) 8.872 6.348 ( -4.590 0.000 -0.221) 4.596 6.523 ( -7.563 0.000 5.222) 9.191 7.358 ( -13.514 0.000 0.224) 13.516 8.519 ( 1.803 -0.000 3.600) 4.026 9.439 ( 3.248 -0.000 -4.191) 5.302 9.554 ( -2.043 0.000 0.042) 2.044 9.627 ( 1.629 -0.000 -3.944) 4.268 10.116 ( -0.469 0.000 2.052) 2.105 10.685 ( 2.308 -0.000 -1.096) 2.555 10.789 ( -1.321 0.000 -9.282) 9.376 11.038 ( -3.981 0.000 -7.462) 8.457 11.910 ( 0.776 -0.000 -2.463) 2.582 11.979 ( -0.211 0.000 -0.263) 0.337 12.193 ( -0.216 0.000 -2.406) 2.415 12.845 ( 0.488 -0.000 -2.128) 2.183 13.236 ( 4.370 -0.000 5.006) 6.645 13.886 ( 0.116 -0.000 -0.072) 0.137 14.241 ( 2.193 -0.000 0.443) 2.237 14.507 ( -3.744 0.000 -1.836) 4.170 16.841 ( -1.208 0.000 1.069) 1.613 17.058 ( -0.289 0.000 0.916) 0.961 17.308 ( -0.919 0.000 -0.816) 1.229 17.518 ( 1.319 -0.000 0.102) 1.323 18.021 ( -0.885 0.000 -1.196) 1.488 18.244 ( -3.343 0.000 9.448) 10.022 23.157 ( -3.587 0.000 4.041) 5.404 23.195 ( 4.077 -0.000 -3.137) 5.145 25.352 ( 1.601 -0.000 0.742) 1.765 25.741 ( -4.575 0.000 3.361) 5.677 28.077 ( -0.082 0.000 1.157) 1.160 28.106 ( 0.587 -0.000 -0.611) 0.848 28.764 ( -1.362 0.000 0.523) 1.459 29.190 ( 0.066 -0.000 -3.456) 3.456 29.250 ( -2.551 0.000 -0.039) 2.552 29.667 ( 3.979 -0.000 0.734) 4.046 30.479 ( -1.934 0.000 -1.518) 2.459 31.183 ( -2.020 0.000 1.992) 2.837 31.587 ( 4.641 -0.000 2.334) 5.194 31.795 ( -0.874 0.000 4.952) 5.028 32.226 ( 3.659 -0.000 1.010) 3.796 33.095 ( -2.387 0.000 -7.528) 7.898 101.178 ( -0.313 0.000 -3.624) 3.637 101.263 ( -2.552 0.000 3.257) 4.137 101.327 ( 2.714 -0.000 0.032) 2.714 101.998 ( -11.307 0.000 16.176) 19.736 ======================= Grid point 20 (14/165) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 11.650 -3.045 6.636) 13.749 1.518 ( 15.222 -4.535 7.985) 17.777 1.911 ( 2.680 2.600 -1.798) 4.144 1.996 ( 1.354 -1.530 -0.284) 2.063 2.044 ( -1.428 -1.128 1.921) 2.646 2.250 ( 4.511 2.093 -2.280) 5.470 2.510 ( -2.699 2.353 0.699) 3.649 2.634 ( -0.172 -1.463 -0.919) 1.736 2.896 ( -3.225 -0.484 1.513) 3.595 3.007 ( 23.272 0.097 20.254) 30.852 3.245 ( -2.100 5.248 0.232) 5.657 3.267 ( -1.316 1.157 0.814) 1.932 3.422 ( -0.631 3.293 0.778) 3.442 3.655 ( 7.297 1.507 5.940) 9.529 3.728 ( 1.176 -2.518 3.456) 4.435 3.911 ( 2.915 -10.112 -3.357) 11.046 4.097 ( 9.579 7.928 -4.889) 13.361 4.741 ( 2.406 3.228 3.658) 5.440 4.913 ( -1.323 -2.345 -3.503) 4.418 5.250 ( 4.877 1.013 12.913) 13.840 6.104 ( -7.622 2.016 -1.812) 8.089 6.309 ( -3.648 -1.562 -0.330) 3.982 6.500 ( -8.154 -3.429 3.690) 9.584 7.061 ( -9.300 16.857 -0.016) 19.252 8.585 ( 1.520 -3.393 3.128) 4.859 9.410 ( -0.096 9.790 -2.179) 10.030 9.490 ( 2.786 -4.237 -2.114) 5.493 9.723 ( -0.305 -6.889 -0.753) 6.936 10.136 ( 0.117 -1.499 2.234) 2.693 10.602 ( -1.396 7.964 -4.883) 9.446 10.760 ( 1.038 -0.661 -2.682) 2.951 10.927 ( -2.930 3.589 -6.885) 8.299 11.882 ( 0.544 2.285 -1.670) 2.882 11.973 ( -0.003 0.370 -0.313) 0.485 12.254 ( -0.341 -9.024 -2.389) 9.342 12.902 ( -1.498 -6.574 -2.907) 7.343 13.319 ( 3.529 -1.118 4.201) 5.599 13.835 ( 0.790 6.076 0.265) 6.133 14.286 ( 2.371 -2.622 0.802) 3.625 14.466 ( -4.096 -0.806 -1.937) 4.602 16.861 ( -1.181 -2.884 0.452) 3.149 17.067 ( 0.009 -0.548 0.978) 1.121 17.303 ( -1.088 -1.129 -0.392) 1.617 17.527 ( 1.052 0.605 0.124) 1.220 17.962 ( -0.678 4.077 -0.019) 4.133 18.311 ( -2.548 -5.328 4.766) 7.589 23.140 ( -2.530 0.094 2.239) 3.380 23.218 ( 3.606 0.201 -2.910) 4.638 25.352 ( 1.128 2.182 0.784) 2.579 25.753 ( -4.027 -4.471 2.584) 6.548 28.032 ( 0.053 3.750 0.275) 3.761 28.155 ( 0.392 -3.033 0.234) 3.067 28.758 ( -0.960 -0.498 0.510) 1.196 29.185 ( -0.327 -0.590 -2.603) 2.689 29.277 ( -2.840 -7.388 -1.158) 7.999 29.741 ( 3.056 -3.822 0.464) 4.916 30.451 ( -1.523 0.020 -1.450) 2.103 31.140 ( -1.624 3.860 1.689) 4.516 31.656 ( 5.933 0.917 4.644) 7.590 31.819 ( -0.253 -1.357 2.903) 3.214 32.257 ( 2.608 1.295 1.131) 3.124 32.957 ( -2.853 7.595 -6.740) 10.547 101.154 ( -0.444 0.194 -3.067) 3.105 101.253 ( -2.231 0.123 2.746) 3.540 101.355 ( 2.740 0.179 -0.200) 2.753 101.913 ( -6.645 6.102 10.259) 13.662 ======================= Grid point 21 (15/165) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.905 -2.422 0.077) 4.596 1.754 ( 10.417 -2.902 2.856) 11.184 1.912 ( 4.665 3.273 4.679) 7.373 1.999 ( -1.597 0.515 3.313) 3.714 2.101 ( 1.597 -3.766 0.188) 4.095 2.222 ( 2.149 5.728 1.028) 6.204 2.385 ( -3.788 5.387 -1.458) 6.745 2.705 ( 1.658 -6.236 -2.327) 6.859 2.844 ( -6.491 0.406 -0.307) 6.511 3.112 ( -1.725 5.708 0.826) 6.020 3.223 ( 3.529 4.369 5.681) 7.989 3.283 ( 6.320 3.660 0.793) 7.347 3.368 ( 2.048 1.962 1.781) 3.349 3.659 ( 4.653 6.755 3.325) 8.851 3.807 ( -0.493 -0.488 2.925) 3.006 4.053 ( 10.011 8.414 1.181) 13.130 4.105 ( 1.113 -12.308 -1.149) 12.411 4.692 ( 0.697 5.530 1.777) 5.850 4.884 ( -2.034 0.366 -6.777) 7.085 5.344 ( 4.036 2.431 10.097) 11.143 6.004 ( -4.630 0.939 -0.587) 4.760 6.313 ( -1.966 -2.491 -0.648) 3.239 6.482 ( -4.824 -0.585 2.151) 5.314 6.728 ( -4.520 12.546 -0.455) 13.343 8.690 ( 1.027 -5.962 1.911) 6.344 9.230 ( -0.483 10.765 -1.093) 10.831 9.620 ( 2.956 -8.820 -1.032) 9.360 9.790 ( -1.353 -1.769 0.376) 2.259 10.197 ( 0.977 -3.810 2.130) 4.472 10.430 ( -1.852 6.538 -3.796) 7.784 10.752 ( 0.981 2.496 -0.267) 2.695 10.800 ( -1.754 4.028 -5.442) 6.995 11.839 ( 0.116 2.434 -0.595) 2.508 11.964 ( 0.185 0.552 -0.331) 0.670 12.437 ( -0.110 -14.926 -2.066) 15.069 12.957 ( -2.182 -4.093 -2.023) 5.061 13.383 ( 2.242 -0.675 2.653) 3.538 13.734 ( 2.112 8.323 0.900) 8.634 14.385 ( 1.024 -4.732 0.550) 4.872 14.415 ( -2.926 -0.453 -1.431) 3.288 16.904 ( -0.786 -3.420 0.023) 3.509 17.084 ( 0.199 -0.751 0.662) 1.021 17.316 ( -1.022 -1.958 -0.045) 2.209 17.521 ( 0.610 1.356 0.131) 1.492 17.897 ( -0.411 3.257 0.272) 3.294 18.383 ( -2.208 -4.283 1.121) 4.947 23.125 ( -1.748 0.101 1.152) 2.096 23.231 ( 2.539 0.475 -2.078) 3.315 25.323 ( 0.059 2.384 0.800) 2.515 25.818 ( -1.649 -5.627 1.396) 6.027 27.976 ( 0.027 3.075 0.050) 3.076 28.201 ( 0.248 -1.935 0.290) 1.972 28.765 ( -0.432 -0.943 0.375) 1.103 29.174 ( -0.651 -0.383 -1.397) 1.587 29.395 ( -2.102 -10.904 -1.660) 11.228 29.847 ( 1.636 -5.222 0.263) 5.478 30.432 ( -0.903 -0.235 -1.083) 1.429 31.059 ( -1.375 4.308 0.594) 4.561 31.709 ( 4.749 4.360 7.314) 9.749 31.889 ( 3.912 -4.137 0.340) 5.704 32.250 ( 0.563 2.666 1.944) 3.347 32.731 ( -4.438 10.360 -6.906) 13.218 101.130 ( -0.499 0.253 -2.215) 2.284 101.244 ( -1.670 0.044 1.815) 2.467 101.374 ( 2.326 0.556 -0.597) 2.465 101.796 ( -3.150 7.199 5.414) 9.542 ======================= Grid point 22 (16/165) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.168 1.546 -3.148) 3.697 1.792 ( 4.050 12.344 0.566) 13.003 1.918 ( 3.413 4.121 3.338) 6.307 2.019 ( -3.993 -4.623 6.698) 9.065 2.154 ( 2.738 0.323 -2.018) 3.417 2.163 ( 1.882 0.740 -0.696) 2.139 2.368 ( 1.559 -4.846 2.325) 5.596 2.694 ( -5.497 4.550 -2.394) 7.527 2.864 ( -0.687 -8.893 -1.822) 9.104 2.988 ( 1.697 16.650 -1.845) 16.838 3.096 ( -2.493 4.257 -0.875) 5.010 3.269 ( 0.139 -2.045 -0.294) 2.071 3.409 ( 4.400 4.747 4.055) 7.637 3.574 ( 1.683 10.847 2.976) 11.373 3.765 ( -2.174 3.328 -0.133) 3.977 4.007 ( 4.261 7.668 2.202) 9.044 4.316 ( 1.199 -11.090 0.019) 11.155 4.614 ( 0.068 6.210 2.203) 6.590 4.800 ( -1.739 1.794 -5.922) 6.427 5.346 ( 1.380 5.728 3.735) 6.976 5.963 ( -2.125 0.083 -0.119) 2.130 6.330 ( 1.758 -0.426 -0.890) 2.016 6.434 ( 1.009 5.652 2.343) 6.201 6.601 ( -4.856 -3.832 -1.790) 6.439 8.818 ( 0.496 -7.903 0.716) 7.951 9.041 ( -0.454 11.219 -0.665) 11.248 9.747 ( -1.453 4.781 0.275) 5.004 9.814 ( 2.202 -11.393 0.095) 11.605 10.288 ( 0.646 -4.066 1.348) 4.332 10.329 ( -0.891 2.867 -1.224) 3.242 10.692 ( 0.722 3.743 0.519) 3.847 10.732 ( -1.148 0.534 -2.923) 3.185 11.808 ( -0.092 0.948 -0.174) 0.968 11.959 ( 0.235 0.158 -0.148) 0.319 12.696 ( 0.259 -17.534 -0.912) 17.560 12.962 ( -1.123 0.487 -0.485) 1.317 13.429 ( 1.226 -1.820 1.248) 2.525 13.617 ( 1.724 9.583 0.907) 9.779 14.335 ( -2.652 1.755 -1.524) 3.527 14.530 ( 1.595 -7.000 0.889) 7.234 16.954 ( -0.206 -3.291 0.132) 3.300 17.100 ( 0.238 -0.553 0.202) 0.635 17.342 ( -0.714 -2.162 0.163) 2.282 17.498 ( 0.199 1.939 0.094) 1.952 17.851 ( -0.268 2.068 0.009) 2.085 18.409 ( -1.507 -1.279 -0.740) 2.111 23.114 ( -1.002 0.069 0.539) 1.140 23.233 ( 1.215 0.740 -0.985) 1.731 25.293 ( -0.296 1.433 0.526) 1.555 25.910 ( 0.260 -5.722 0.562) 5.756 27.938 ( 0.028 1.598 -0.013) 1.598 28.224 ( 0.072 -0.588 0.142) 0.609 28.782 ( -0.015 -1.109 0.170) 1.122 29.173 ( -0.398 -0.797 -0.488) 1.016 29.554 ( -0.831 -11.175 -0.909) 11.243 29.923 ( 0.318 -1.985 0.049) 2.011 30.429 ( -0.368 -0.814 -0.475) 1.012 31.005 ( -0.802 0.194 -0.120) 0.834 31.702 ( 2.716 5.764 5.958) 8.723 32.022 ( 11.288 -1.921 -2.205) 11.660 32.208 ( -4.393 2.614 6.307) 8.119 32.461 ( -7.034 9.590 -8.304) 14.505 101.111 ( -0.450 0.167 -1.275) 1.362 101.237 ( -0.927 -0.057 0.770) 1.206 101.380 ( 1.494 0.703 -0.785) 1.828 101.673 ( -1.453 7.495 1.873) 7.861 ======================= Grid point 23 (17/165) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -0.000 9.905 0.000) 9.905 1.518 ( -0.000 20.297 0.000) 20.297 1.945 ( 0.000 -2.815 -0.000) 2.815 2.055 ( 0.000 -0.112 -0.000) 0.112 2.176 ( 0.000 -1.922 -0.000) 1.922 2.235 ( 0.000 -5.987 -0.000) 5.987 2.502 ( 0.000 -5.893 -0.000) 5.893 2.532 ( -0.000 10.527 0.000) 10.527 2.594 ( -0.000 24.314 0.000) 24.314 2.983 ( 0.000 -6.255 -0.000) 6.255 3.109 ( 0.000 -4.032 -0.000) 4.032 3.307 ( -0.000 11.953 0.000) 11.953 3.320 ( 0.000 -3.989 -0.000) 3.989 3.415 ( -0.000 7.493 0.000) 7.493 3.700 ( -0.000 2.784 0.000) 2.784 3.936 ( -0.000 4.748 0.000) 4.748 4.438 ( 0.000 -1.457 -0.000) 1.457 4.502 ( -0.000 7.972 0.000) 7.972 4.781 ( 0.000 -3.710 -0.000) 3.710 5.244 ( -0.000 8.272 0.000) 8.272 5.937 ( -0.000 1.396 0.000) 1.396 6.364 ( -0.000 1.370 0.000) 1.370 6.374 ( 0.000 -1.848 -0.000) 1.848 6.667 ( 0.000 -6.063 -0.000) 6.063 8.854 ( -0.000 11.037 0.000) 11.037 8.963 ( 0.000 -9.307 -0.000) 9.307 9.644 ( -0.000 6.141 0.000) 6.141 9.996 ( 0.000 -7.403 -0.000) 7.403 10.273 ( -0.000 3.469 0.000) 3.469 10.347 ( 0.000 -3.549 -0.000) 3.549 10.707 ( 0.000 -0.002 -0.000) 0.002 10.708 ( 0.000 -4.388 -0.000) 4.388 11.808 ( 0.000 -1.065 -0.000) 1.065 11.963 ( 0.000 -0.479 -0.000) 0.479 12.902 ( -0.000 6.388 0.000) 6.388 12.987 ( 0.000 -17.967 -0.000) 17.967 13.464 ( -0.000 10.408 0.000) 10.408 13.492 ( 0.000 -4.743 -0.000) 4.743 14.289 ( -0.000 1.607 0.000) 1.607 14.645 ( 0.000 -5.325 -0.000) 5.325 17.004 ( 0.000 -2.834 -0.000) 2.834 17.109 ( 0.000 -0.283 -0.000) 0.283 17.369 ( 0.000 -1.440 -0.000) 1.440 17.468 ( -0.000 1.652 0.000) 1.652 17.824 ( -0.000 0.914 0.000) 0.914 18.389 ( -0.000 2.227 0.000) 2.227 23.110 ( 0.000 -0.061 -0.000) 0.061 23.223 ( -0.000 0.927 0.000) 0.927 25.279 ( -0.000 0.317 0.000) 0.317 26.005 ( 0.000 -5.247 -0.000) 5.247 27.926 ( 0.000 -0.159 -0.000) 0.159 28.224 ( -0.000 0.612 0.000) 0.612 28.799 ( 0.000 -0.864 -0.000) 0.864 29.185 ( 0.000 -1.138 -0.000) 1.138 29.720 ( 0.000 -9.682 -0.000) 9.682 29.905 ( -0.000 4.197 0.000) 4.197 30.445 ( 0.000 -1.468 -0.000) 1.468 31.050 ( 0.000 -6.242 -0.000) 6.242 31.636 ( -0.000 7.284 0.000) 7.284 32.048 ( -0.000 9.858 0.000) 9.858 32.222 ( 0.000 -6.691 -0.000) 6.691 32.238 ( -0.000 5.933 0.000) 5.933 101.103 ( 0.000 -0.041 -0.000) 0.041 101.236 ( 0.000 -0.242 -0.000) 0.242 101.376 ( -0.000 0.557 0.000) 0.557 101.547 ( -0.000 7.398 0.000) 7.398 ======================= Grid point 28 (18/165) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.041 -0.000 4.574) 8.396 1.676 ( 12.740 -0.000 5.263) 13.784 1.975 ( 5.479 -0.000 1.932) 5.810 2.002 ( 1.094 -0.000 -0.358) 1.151 2.025 ( -1.170 0.000 1.897) 2.229 2.295 ( 3.957 -0.000 -4.267) 5.819 2.508 ( -1.198 0.000 0.946) 1.527 2.608 ( -2.842 0.000 -0.750) 2.939 2.878 ( -2.130 0.000 1.314) 2.503 3.258 ( -2.179 0.000 0.125) 2.183 3.283 ( 4.062 -0.000 1.027) 4.189 3.355 ( 13.088 -0.000 13.621) 18.890 3.452 ( -2.622 0.000 1.024) 2.815 3.644 ( -0.257 0.000 4.176) 4.184 3.824 ( 8.602 -0.000 -6.167) 10.584 3.844 ( 0.831 -0.000 6.844) 6.895 4.246 ( 9.730 -0.000 -0.907) 9.773 4.818 ( 2.228 -0.000 1.457) 2.662 4.855 ( -1.093 0.000 -4.515) 4.646 5.385 ( 5.144 -0.000 12.059) 13.110 6.032 ( -6.357 0.000 -1.905) 6.636 6.247 ( -3.723 0.000 -0.603) 3.771 6.414 ( -6.509 0.000 3.470) 7.376 7.068 ( -11.549 0.000 -1.423) 11.636 8.590 ( 1.240 -0.000 2.697) 2.968 9.464 ( 3.271 -0.000 -4.087) 5.234 9.516 ( -1.813 0.000 0.773) 1.971 9.627 ( 0.922 -0.000 -1.327) 1.616 10.138 ( 0.161 -0.000 2.225) 2.231 10.664 ( -2.162 0.000 -5.419) 5.834 10.709 ( 0.337 -0.000 -1.451) 1.490 10.900 ( -1.422 0.000 -4.341) 4.568 11.891 ( 0.354 -0.000 -2.767) 2.790 11.974 ( -0.078 0.000 -0.084) 0.114 12.171 ( -0.203 0.000 -0.770) 0.796 12.833 ( 0.246 -0.000 -1.380) 1.402 13.368 ( 3.095 -0.000 3.139) 4.408 13.887 ( 0.013 -0.000 -0.030) 0.032 14.287 ( 1.591 -0.000 0.228) 1.607 14.416 ( -2.743 0.000 -1.256) 3.017 16.831 ( -0.701 0.000 0.757) 1.032 17.069 ( 0.168 -0.000 0.885) 0.901 17.281 ( -0.954 0.000 -0.219) 0.979 17.542 ( 0.744 -0.000 0.086) 0.749 17.988 ( -0.804 0.000 -1.055) 1.326 18.266 ( -1.660 0.000 4.152) 4.471 23.128 ( -1.813 0.000 1.419) 2.302 23.239 ( 2.823 -0.000 -2.424) 3.721 25.392 ( 1.267 -0.000 0.581) 1.394 25.687 ( -3.325 0.000 2.470) 4.142 28.088 ( -0.035 0.000 0.848) 0.848 28.112 ( 0.438 -0.000 -0.398) 0.592 28.747 ( -0.681 0.000 0.413) 0.797 29.159 ( 0.492 -0.000 -2.870) 2.912 29.193 ( -2.477 0.000 0.246) 2.489 29.740 ( 2.232 -0.000 0.159) 2.238 30.429 ( -1.121 0.000 -1.078) 1.555 31.173 ( -0.954 0.000 1.737) 1.982 31.731 ( 4.983 -0.000 3.284) 5.968 31.823 ( -0.459 0.000 2.498) 2.540 32.299 ( 2.125 -0.000 0.613) 2.212 32.952 ( -3.326 0.000 -5.595) 6.510 101.135 ( -0.446 0.000 -2.222) 2.266 101.246 ( -1.665 0.000 1.915) 2.538 101.385 ( 2.464 -0.000 -0.068) 2.465 101.937 ( -6.040 0.000 6.690) 9.014 ======================= Grid point 29 (19/165) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 2.160 0.273 0.908) 2.359 1.824 ( 7.289 -2.197 2.102) 7.898 1.977 ( -1.184 1.568 0.975) 2.193 2.030 ( 0.542 0.509 1.909) 2.049 2.098 ( 6.979 -3.417 3.239) 8.418 2.288 ( 0.701 1.500 -2.593) 3.077 2.449 ( -3.188 6.850 -1.038) 7.626 2.604 ( -0.754 -4.817 -0.694) 4.925 2.841 ( -1.735 3.078 0.662) 3.595 3.185 ( -1.968 6.395 -0.420) 6.704 3.251 ( -0.519 1.050 0.037) 1.172 3.404 ( -0.904 4.017 -0.189) 4.122 3.521 ( 8.482 2.483 6.307) 10.858 3.752 ( -0.125 -6.425 0.480) 6.445 3.829 ( 3.045 3.417 4.858) 6.675 3.930 ( 1.071 -6.194 -2.701) 6.841 4.294 ( 7.232 6.754 2.896) 10.310 4.790 ( 0.452 3.450 0.845) 3.581 4.834 ( -0.881 0.385 -4.999) 5.090 5.471 ( 2.996 1.954 6.805) 7.687 5.968 ( -3.160 0.267 -0.790) 3.268 6.239 ( -1.839 -2.939 -0.429) 3.494 6.397 ( -3.543 -2.952 1.575) 4.874 6.873 ( -5.657 10.069 -0.817) 11.578 8.636 ( 0.658 -2.951 1.370) 3.320 9.390 ( -0.096 9.788 -0.869) 9.827 9.519 ( 1.339 -5.211 -0.933) 5.461 9.716 ( -0.015 -6.300 -0.133) 6.301 10.167 ( 0.385 -2.083 1.485) 2.587 10.520 ( -1.353 8.468 -2.363) 8.895 10.738 ( -0.589 -1.935 -2.437) 3.167 10.849 ( 0.036 3.448 -1.194) 3.649 11.873 ( 0.175 1.403 -1.039) 1.755 11.971 ( 0.016 0.283 -0.119) 0.308 12.231 ( -0.118 -8.344 -0.721) 8.376 12.864 ( -0.331 -3.884 -0.896) 4.000 13.410 ( 1.537 -0.240 1.579) 2.216 13.853 ( 0.479 4.100 0.209) 4.133 14.329 ( 0.840 -3.298 0.217) 3.410 14.383 ( -1.728 0.443 -0.794) 1.952 16.849 ( -0.386 -2.371 0.280) 2.419 17.079 ( 0.152 -0.496 0.485) 0.710 17.281 ( -0.572 -1.152 -0.059) 1.287 17.543 ( 0.344 0.676 0.046) 0.760 17.947 ( -0.367 3.083 -0.251) 3.115 18.304 ( -1.029 -3.695 1.405) 4.085 23.118 ( -0.920 0.123 0.614) 1.113 23.250 ( 1.479 0.271 -1.298) 1.987 25.375 ( 0.344 3.027 0.445) 3.079 25.717 ( -1.378 -5.082 1.119) 5.383 28.035 ( 0.050 3.970 0.116) 3.972 28.163 ( 0.158 -3.124 0.125) 3.131 28.749 ( -0.303 -0.643 0.227) 0.746 29.156 ( -0.225 -0.315 -1.200) 1.261 29.227 ( -1.015 -6.635 -0.324) 6.720 29.788 ( 1.058 -3.507 0.047) 3.663 30.417 ( -0.541 -0.111 -0.580) 0.801 31.132 ( -0.522 4.566 0.768) 4.659 31.805 ( 1.792 0.633 2.846) 3.422 31.850 ( 1.696 -4.319 1.156) 4.782 32.304 ( 0.965 1.781 0.397) 2.065 32.826 ( -2.435 8.265 -3.586) 9.333 101.120 ( -0.284 0.217 -1.179) 1.232 101.240 ( -0.880 0.118 0.981) 1.323 101.402 ( 1.446 0.485 -0.131) 1.531 101.881 ( -2.776 4.094 3.097) 5.836 ======================= Grid point 30 (20/165) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -0.000 1.122 0.000) 1.122 1.928 ( 0.000 -4.618 -0.000) 4.618 1.933 ( -0.000 3.139 0.000) 3.139 2.023 ( -0.000 1.766 0.000) 1.766 2.220 ( -0.000 3.671 0.000) 3.671 2.248 ( -0.000 10.736 0.000) 10.736 2.274 ( 0.000 -6.731 -0.000) 6.731 2.713 ( 0.000 -8.309 -0.000) 8.309 2.752 ( -0.000 6.051 0.000) 6.051 3.092 ( -0.000 2.952 0.000) 2.952 3.246 ( 0.000 -0.536 -0.000) 0.536 3.268 ( -0.000 12.090 0.000) 12.090 3.525 ( -0.000 4.177 0.000) 4.177 3.768 ( -0.000 8.164 0.000) 8.164 3.785 ( -0.000 1.144 0.000) 1.144 4.108 ( 0.000 -13.985 -0.000) 13.985 4.193 ( -0.000 10.609 0.000) 10.609 4.729 ( -0.000 6.106 0.000) 6.106 4.790 ( -0.000 0.624 0.000) 0.624 5.453 ( -0.000 4.433 0.000) 4.433 5.950 ( 0.000 -0.206 -0.000) 0.206 6.286 ( 0.000 -3.635 -0.000) 3.635 6.457 ( 0.000 -5.819 -0.000) 5.819 6.646 ( -0.000 13.224 0.000) 13.224 8.713 ( 0.000 -5.617 -0.000) 5.617 9.217 ( -0.000 10.913 0.000) 10.913 9.648 ( 0.000 -9.702 -0.000) 9.702 9.779 ( 0.000 -0.847 -0.000) 0.847 10.226 ( 0.000 -4.101 -0.000) 4.101 10.384 ( -0.000 5.781 0.000) 5.781 10.731 ( -0.000 0.873 0.000) 0.873 10.775 ( -0.000 5.184 0.000) 5.184 11.837 ( -0.000 2.436 0.000) 2.436 11.965 ( -0.000 0.432 0.000) 0.432 12.424 ( 0.000 -15.124 -0.000) 15.124 12.924 ( 0.000 -3.618 -0.000) 3.618 13.425 ( 0.000 -0.260 -0.000) 0.260 13.767 ( -0.000 7.145 0.000) 7.145 14.342 ( -0.000 1.392 0.000) 1.392 14.427 ( 0.000 -6.385 -0.000) 6.385 16.896 ( 0.000 -3.442 -0.000) 3.442 17.091 ( 0.000 -0.696 -0.000) 0.696 17.304 ( 0.000 -1.950 -0.000) 1.950 17.528 ( -0.000 1.431 0.000) 1.431 17.892 ( -0.000 3.114 0.000) 3.114 18.362 ( 0.000 -3.331 -0.000) 3.331 23.112 ( -0.000 0.176 0.000) 0.176 23.247 ( -0.000 0.541 0.000) 0.541 25.328 ( -0.000 2.774 0.000) 2.774 25.811 ( 0.000 -6.415 -0.000) 6.415 27.977 ( -0.000 3.134 0.000) 3.134 28.205 ( 0.000 -1.883 -0.000) 1.883 28.763 ( 0.000 -1.106 -0.000) 1.106 29.157 ( 0.000 -0.551 -0.000) 0.551 29.365 ( 0.000 -10.650 -0.000) 10.650 29.865 ( 0.000 -4.773 -0.000) 4.773 30.416 ( 0.000 -0.395 -0.000) 0.395 31.048 ( -0.000 4.853 0.000) 4.853 31.789 ( -0.000 2.607 0.000) 2.607 31.978 ( 0.000 -7.691 -0.000) 7.691 32.267 ( -0.000 3.603 0.000) 3.603 32.613 ( -0.000 13.881 0.000) 13.881 101.110 ( -0.000 0.342 0.000) 0.342 101.235 ( -0.000 0.140 0.000) 0.140 101.399 ( -0.000 0.774 0.000) 0.774 101.787 ( -0.000 6.577 0.000) 6.577 ======================= Grid point 38 (21/165) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 -0.000 0.000) 0.000 1.852 ( -0.000 0.000 0.000) 0.000 1.986 ( 0.000 -0.000 0.000) 0.000 2.041 ( 0.000 -0.000 -0.000) 0.000 2.119 ( 0.000 -0.000 0.000) 0.000 2.296 ( 0.000 -0.000 0.000) 0.000 2.505 ( 0.000 -0.000 0.000) 0.000 2.537 ( 0.000 -0.000 0.000) 0.000 2.866 ( 0.000 -0.000 0.000) 0.000 3.232 ( 0.000 -0.000 0.000) 0.000 3.276 ( 0.000 -0.000 0.000) 0.000 3.431 ( 0.000 -0.000 0.000) 0.000 3.605 ( 0.000 -0.000 0.000) 0.000 3.655 ( 0.000 -0.000 0.000) 0.000 3.890 ( 0.000 -0.000 -0.000) 0.000 3.893 ( 0.000 -0.000 0.000) 0.000 4.409 ( -0.000 0.000 -0.000) 0.000 4.791 ( 0.000 -0.000 0.000) 0.000 4.847 ( 0.000 -0.000 0.000) 0.000 5.525 ( 0.000 -0.000 0.000) 0.000 5.948 ( 0.000 -0.000 0.000) 0.000 6.200 ( 0.000 -0.000 -0.000) 0.000 6.356 ( 0.000 -0.000 0.000) 0.000 6.919 ( 0.000 -0.000 0.000) 0.000 8.620 ( 0.000 -0.000 0.000) 0.000 9.480 ( 0.000 -0.000 0.000) 0.000 9.498 ( 0.000 -0.000 -0.000) 0.000 9.630 ( 0.000 -0.000 0.000) 0.000 10.156 ( 0.000 -0.000 0.000) 0.000 10.604 ( 0.000 -0.000 0.000) 0.000 10.688 ( 0.000 -0.000 0.000) 0.000 10.875 ( 0.000 -0.000 0.000) 0.000 11.877 ( 0.000 -0.000 0.000) 0.000 11.973 ( 0.000 -0.000 0.000) 0.000 12.165 ( 0.000 -0.000 0.000) 0.000 12.827 ( 0.000 -0.000 0.000) 0.000 13.421 ( 0.000 -0.000 0.000) 0.000 13.886 ( 0.000 -0.000 0.000) 0.000 14.306 ( 0.000 -0.000 0.000) 0.000 14.377 ( 0.000 -0.000 0.000) 0.000 16.828 ( 0.000 -0.000 0.000) 0.000 17.077 ( 0.000 -0.000 0.000) 0.000 17.269 ( 0.000 -0.000 0.000) 0.000 17.550 ( 0.000 -0.000 0.000) 0.000 17.972 ( 0.000 -0.000 0.000) 0.000 18.270 ( 0.000 -0.000 0.000) 0.000 23.116 ( 0.000 -0.000 0.000) 0.000 23.256 ( 0.000 -0.000 0.000) 0.000 25.410 ( 0.000 -0.000 0.000) 0.000 25.664 ( 0.000 -0.000 0.000) 0.000 28.093 ( 0.000 -0.000 0.000) 0.000 28.115 ( 0.000 -0.000 0.000) 0.000 28.743 ( 0.000 -0.000 0.000) 0.000 29.149 ( 0.000 -0.000 -0.000) 0.000 29.165 ( -0.000 0.000 0.000) 0.000 29.764 ( 0.000 -0.000 0.000) 0.000 30.411 ( 0.000 -0.000 0.000) 0.000 31.174 ( 0.000 -0.000 0.000) 0.000 31.818 ( 0.000 -0.000 0.000) 0.000 31.829 ( 0.000 -0.000 0.000) 0.000 32.326 ( 0.000 -0.000 0.000) 0.000 32.874 ( 0.000 -0.000 0.000) 0.000 101.117 ( 0.000 -0.000 0.000) 0.000 101.239 ( 0.000 -0.000 0.000) 0.000 101.414 ( 0.000 -0.000 0.000) 0.000 101.907 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/165) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -5.117 0.000 23.120) 23.680 0.471 ( -1.314 0.000 24.191) 24.226 1.030 ( 13.683 -0.000 50.879) 52.686 1.830 ( -1.791 0.000 -1.272) 2.197 2.037 ( -1.672 0.000 -2.164) 2.735 2.178 ( 0.871 -0.000 2.708) 2.845 2.182 ( -3.478 0.000 -7.848) 8.584 2.628 ( 0.819 -0.000 -2.721) 2.842 2.926 ( -1.439 0.000 5.097) 5.296 2.942 ( -10.706 0.000 -3.367) 11.223 3.094 ( 6.727 -0.000 3.207) 7.452 3.100 ( 1.324 -0.000 5.007) 5.179 3.321 ( 0.926 -0.000 -0.621) 1.115 3.348 ( 9.694 -0.000 -11.851) 15.311 3.635 ( -2.988 0.000 2.744) 4.057 3.698 ( 1.341 -0.000 -12.214) 12.287 4.039 ( -8.636 0.000 10.526) 13.615 4.324 ( 6.323 -0.000 14.058) 15.414 5.112 ( -0.248 0.000 0.906) 0.940 5.529 ( -27.542 0.000 -8.029) 28.688 6.299 ( 80.296 -0.000 -3.316) 80.364 6.472 ( 3.790 -0.000 1.970) 4.272 6.501 ( -2.115 0.000 -2.605) 3.355 6.622 ( 3.345 -0.000 2.943) 4.455 8.461 ( -0.349 0.000 4.770) 4.782 9.371 ( 0.645 -0.000 -4.653) 4.697 9.615 ( -0.497 0.000 0.079) 0.503 9.918 ( -15.837 0.000 -0.187) 15.838 10.152 ( 0.612 -0.000 3.558) 3.610 10.649 ( -1.178 0.000 -0.568) 1.308 10.866 ( -12.018 0.000 -0.092) 12.018 11.182 ( -1.350 0.000 -5.938) 6.089 11.892 ( -0.784 0.000 -1.462) 1.659 11.992 ( -0.170 0.000 -0.429) 0.461 12.227 ( -2.661 0.000 0.698) 2.751 12.792 ( 1.969 -0.000 -5.415) 5.762 13.132 ( -0.968 0.000 7.589) 7.650 13.862 ( 0.960 -0.000 -2.121) 2.328 14.190 ( -0.686 0.000 1.554) 1.699 14.617 ( -0.466 0.000 -1.595) 1.661 16.866 ( 0.514 -0.000 0.310) 0.601 17.046 ( 0.971 -0.000 -2.143) 2.353 17.447 ( -7.786 0.000 0.611) 7.809 17.481 ( -0.197 0.000 0.359) 0.410 18.071 ( -1.448 0.000 1.772) 2.288 18.468 ( 7.071 -0.000 -0.648) 7.101 23.156 ( -3.546 0.000 3.301) 4.844 24.361 ( -46.132 0.000 -4.492) 46.350 25.323 ( -4.889 0.000 2.148) 5.341 25.812 ( 2.446 -0.000 -0.443) 2.486 28.068 ( 0.512 -0.000 0.384) 0.640 28.092 ( -0.075 0.000 -0.678) 0.682 28.836 ( -1.442 0.000 0.987) 1.747 29.203 ( -0.063 0.000 -3.223) 3.224 29.327 ( -1.147 0.000 1.421) 1.826 29.512 ( 1.639 -0.000 -0.927) 1.883 30.592 ( -3.000 0.000 3.794) 4.836 31.260 ( -0.620 0.000 1.963) 2.058 31.395 ( 20.871 -0.000 -3.437) 21.152 31.506 ( 14.614 -0.000 1.205) 14.664 32.100 ( 0.674 -0.000 1.116) 1.304 33.005 ( -3.221 0.000 -3.363) 4.657 101.155 ( 1.753 -0.000 -4.509) 4.838 101.248 ( 0.529 -0.000 -1.316) 1.418 101.385 ( -2.988 0.000 6.423) 7.084 102.081 ( 54.217 -0.000 -1.749) 54.245 ======================= Grid point 68 (23/165) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 12.064 -3.986 16.042) 20.464 0.858 ( 8.148 -15.836 19.297) 26.259 1.650 ( 18.696 -16.092 38.145) 45.426 1.879 ( 0.048 -7.085 -2.695) 7.581 2.006 ( -1.694 -1.317 -4.208) 4.723 2.103 ( -0.845 1.196 -4.093) 4.347 2.207 ( -0.086 -0.730 1.683) 1.836 2.621 ( -0.053 0.526 -2.930) 2.978 2.742 ( -4.265 5.238 2.227) 7.113 3.023 ( -1.233 -3.073 -0.768) 3.399 3.136 ( 7.791 2.035 1.343) 8.163 3.277 ( 0.614 -7.740 0.880) 7.814 3.288 ( 5.547 3.974 -4.554) 8.204 3.358 ( 2.428 1.526 -3.865) 4.813 3.605 ( 2.209 2.255 3.311) 4.575 3.719 ( 2.258 -1.793 -6.355) 6.979 4.029 ( -4.571 -2.284 6.340) 8.143 4.518 ( 7.101 -3.546 11.779) 14.204 5.090 ( -0.054 3.413 3.494) 4.885 5.213 ( -13.049 4.419 1.177) 13.827 6.362 ( 10.534 10.335 2.003) 14.893 6.444 ( -5.504 2.222 -1.329) 6.083 6.599 ( 15.927 8.096 1.279) 17.913 6.826 ( 14.905 5.976 -10.439) 19.154 8.521 ( 0.447 -3.857 5.094) 6.405 9.351 ( 1.346 0.924 -4.790) 5.061 9.549 ( -4.593 5.537 3.330) 7.927 9.821 ( -5.056 -4.921 4.202) 8.212 10.160 ( -0.458 0.213 3.411) 3.449 10.624 ( -1.357 2.206 -2.235) 3.421 10.754 ( -2.522 2.619 -0.685) 3.700 11.058 ( -1.973 7.238 -6.675) 10.042 11.877 ( -0.701 0.290 -1.032) 1.281 11.980 ( -0.277 0.632 -0.754) 1.022 12.291 ( -1.323 -9.474 -0.805) 9.600 12.953 ( 2.244 -12.208 -12.604) 17.690 13.258 ( -2.538 -9.060 1.727) 9.565 13.791 ( 1.149 7.979 -1.975) 8.300 14.208 ( -0.362 -2.061 1.814) 2.770 14.623 ( -2.039 -2.867 -2.244) 4.172 16.909 ( -0.208 -3.763 -2.014) 4.273 17.048 ( 1.336 -0.247 -2.203) 2.588 17.395 ( -4.190 -0.313 2.953) 5.136 17.484 ( 0.088 0.070 0.543) 0.555 18.012 ( -1.771 5.394 2.881) 6.366 18.453 ( -0.882 1.051 6.387) 6.532 23.145 ( -1.940 -0.164 2.719) 3.344 23.644 ( -27.229 18.004 21.684) 39.189 25.304 ( -0.620 0.624 0.691) 1.119 25.938 ( -3.168 -8.081 -4.936) 9.985 28.031 ( -0.052 3.143 0.183) 3.148 28.130 ( 0.641 -2.668 -0.531) 2.795 28.823 ( -1.549 0.100 1.462) 2.133 29.202 ( -0.165 -0.390 -3.117) 3.145 29.467 ( -5.730 -15.109 -7.561) 17.840 29.577 ( 3.218 -5.155 -0.527) 6.099 30.564 ( -3.446 1.220 2.936) 4.689 31.234 ( -2.173 2.138 1.677) 3.479 31.426 ( 3.652 3.704 -1.819) 5.510 31.738 ( 13.625 -2.905 -3.795) 14.439 32.126 ( 2.448 0.063 1.773) 3.023 32.862 ( 3.434 11.614 -0.267) 12.114 101.144 ( 1.381 0.372 -3.919) 4.172 101.247 ( 1.383 0.370 -1.503) 2.075 101.390 ( -3.715 -0.692 5.636) 6.786 102.054 ( 12.796 26.632 9.015) 30.891 ======================= Grid point 69 (24/165) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 13.215 -10.852 8.052) 18.901 1.299 ( 8.979 -14.229 14.719) 22.355 1.887 ( -4.707 -0.979 -6.542) 8.118 2.003 ( 0.114 1.767 -0.575) 1.861 2.049 ( 3.781 -4.586 -2.667) 6.514 2.189 ( -1.320 -2.855 4.947) 5.862 2.395 ( 14.081 -13.280 23.012) 30.070 2.564 ( -2.448 3.143 -3.327) 5.190 2.672 ( 1.151 1.700 2.101) 2.938 3.001 ( 1.913 3.475 -7.315) 8.322 3.121 ( 6.208 5.287 -5.382) 9.770 3.298 ( 1.478 -1.573 -0.506) 2.216 3.341 ( 2.008 0.973 -0.209) 2.241 3.407 ( -1.534 -5.548 2.922) 6.456 3.625 ( 5.146 5.150 6.251) 9.596 3.709 ( 3.318 1.420 -1.449) 3.889 4.110 ( -1.266 -8.998 -0.072) 9.087 4.632 ( 2.914 2.384 3.887) 5.412 5.060 ( -5.931 0.166 -2.016) 6.267 5.121 ( 3.328 2.220 8.944) 9.798 6.310 ( -7.023 4.101 -0.031) 8.133 6.348 ( 7.331 5.660 1.609) 9.401 6.548 ( 9.708 16.395 -4.972) 19.691 6.761 ( -3.065 -0.284 -0.162) 3.083 8.642 ( 0.528 -6.759 4.643) 8.217 9.270 ( -0.563 8.170 -0.610) 8.212 9.509 ( -0.342 -3.476 1.496) 3.800 9.903 ( -2.412 -5.817 1.242) 6.419 10.182 ( -0.470 -1.593 2.753) 3.215 10.498 ( -1.531 7.648 -4.078) 8.802 10.724 ( -0.456 0.105 -0.019) 0.469 10.881 ( -1.321 7.166 -5.668) 9.232 11.854 ( -0.926 1.050 -0.083) 1.402 11.962 ( -0.167 0.726 -0.899) 1.168 12.462 ( -1.087 -13.729 -2.429) 13.984 13.061 ( 0.890 -6.850 -10.682) 12.721 13.327 ( -2.048 -2.395 2.134) 3.805 13.638 ( 1.878 10.732 -1.424) 10.988 14.276 ( 1.234 -4.163 2.617) 5.070 14.616 ( -3.816 -1.167 -2.628) 4.778 16.942 ( -0.447 -2.475 -2.396) 3.474 17.056 ( 1.382 -0.453 -2.427) 2.829 17.392 ( -2.457 -1.304 3.020) 4.106 17.485 ( 0.371 0.596 0.865) 1.114 17.935 ( -1.449 3.986 3.846) 5.725 18.492 ( -0.996 -1.801 5.085) 5.486 23.150 ( -0.735 -0.309 2.756) 2.869 23.382 ( -11.612 5.459 13.774) 18.825 25.291 ( 0.223 0.921 0.272) 0.986 25.956 ( -3.258 -2.325 -3.392) 5.247 27.981 ( -0.299 2.786 0.242) 2.812 28.174 ( 0.949 -1.980 -0.701) 2.305 28.813 ( -1.591 0.040 1.339) 2.080 29.187 ( 0.244 0.107 -2.795) 2.808 29.572 ( -5.030 -10.522 -6.415) 13.311 29.722 ( 3.421 -7.729 -0.456) 8.465 30.523 ( -3.161 1.104 2.348) 4.089 31.171 ( -3.627 1.895 -0.086) 4.093 31.382 ( 5.603 7.187 0.750) 9.144 31.863 ( 3.324 -3.547 0.589) 4.896 32.157 ( 3.323 1.318 0.802) 3.664 32.733 ( 3.427 7.846 -2.492) 8.918 101.131 ( 0.939 0.228 -3.189) 3.332 101.247 ( 2.019 0.733 -1.918) 2.879 101.388 ( -4.192 -0.796 4.239) 6.015 101.853 ( 4.485 15.841 9.927) 19.225 ======================= Grid point 70 (25/165) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 9.928 -11.913 1.214) 15.555 1.630 ( 3.400 -8.496 8.160) 12.261 1.781 ( -3.752 3.794 -3.265) 6.255 1.963 ( 1.297 3.974 3.628) 5.535 2.119 ( 1.812 -0.206 -0.329) 1.853 2.179 ( -1.772 2.878 0.643) 3.441 2.468 ( -2.931 -0.211 -3.856) 4.848 2.659 ( 5.497 -2.371 -2.633) 6.540 2.855 ( 5.997 -4.577 11.439) 13.703 2.896 ( 3.294 7.234 -6.710) 10.402 3.108 ( 0.104 -1.700 2.262) 2.831 3.312 ( -2.155 -1.009 -0.899) 2.544 3.317 ( 0.389 1.951 -2.210) 2.973 3.469 ( 1.001 -1.456 1.722) 2.467 3.640 ( 6.461 3.289 4.259) 8.409 3.754 ( 3.859 -0.351 2.419) 4.568 4.263 ( 0.432 -9.721 -1.088) 9.792 4.592 ( 1.007 4.804 0.852) 4.982 4.953 ( -4.212 3.166 -5.636) 7.715 5.202 ( 4.158 1.121 6.490) 7.789 6.181 ( -6.867 1.583 -0.297) 7.053 6.266 ( 6.480 16.385 -2.284) 17.767 6.392 ( -1.102 0.034 -0.821) 1.375 6.756 ( -1.055 -0.219 -0.359) 1.136 8.793 ( 0.155 -8.411 3.575) 9.141 9.102 ( -1.967 10.379 1.099) 10.621 9.634 ( 3.796 -7.525 1.100) 8.500 9.916 ( -4.759 0.971 -0.095) 4.858 10.246 ( 0.816 -4.378 2.853) 5.289 10.366 ( -0.256 4.064 -2.114) 4.588 10.686 ( -0.911 4.657 -0.906) 4.831 10.778 ( -0.599 -0.236 -2.876) 2.947 11.829 ( -0.858 0.787 0.510) 1.271 11.946 ( 0.040 0.411 -0.739) 0.846 12.673 ( 0.264 -14.367 -2.914) 14.662 13.054 ( -1.212 1.531 -6.181) 6.482 13.363 ( -0.090 -2.610 1.501) 3.012 13.494 ( 2.820 8.890 -0.370) 9.334 14.393 ( 3.264 -5.025 3.114) 6.753 14.544 ( -5.108 2.038 -3.002) 6.266 16.959 ( 0.209 -1.415 -1.809) 2.306 17.062 ( 1.381 -0.148 -2.674) 3.013 17.413 ( -1.840 -1.844 3.204) 4.130 17.481 ( 0.285 1.046 1.223) 1.634 17.891 ( -1.543 2.127 3.471) 4.354 18.519 ( -1.711 -0.468 1.797) 2.525 23.169 ( -0.197 -0.387 3.421) 3.449 23.300 ( -7.315 1.247 9.214) 11.830 25.286 ( 0.750 0.541 0.346) 0.987 25.929 ( -1.388 -0.009 -2.771) 3.099 27.942 ( -0.338 1.610 0.308) 1.674 28.204 ( 0.934 -0.931 -0.933) 1.615 28.804 ( -1.137 0.156 1.186) 1.651 29.178 ( 0.593 -0.307 -2.398) 2.489 29.644 ( -2.776 -7.243 -4.063) 8.757 29.864 ( 2.531 -5.241 -0.564) 5.847 30.493 ( -2.643 0.173 2.420) 3.588 31.111 ( -3.963 -0.827 -2.172) 4.594 31.327 ( 8.210 9.727 2.757) 13.024 31.936 ( -3.015 -3.040 4.406) 6.144 32.151 ( 5.077 3.778 -3.857) 7.411 32.661 ( 0.787 1.678 -2.899) 3.441 101.122 ( 0.491 -0.235 -2.726) 2.779 101.244 ( 2.421 1.046 -2.540) 3.662 101.374 ( -4.117 -0.561 2.767) 4.992 101.728 ( 1.453 9.458 5.859) 11.220 ======================= Grid point 71 (26/165) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -1.040 -4.445 -8.756) 9.875 1.633 ( -6.128 5.805 -2.959) 8.945 1.732 ( 2.864 3.705 9.610) 10.690 1.947 ( 3.274 2.834 4.859) 6.508 2.063 ( 0.788 1.000 -2.114) 2.468 2.217 ( 2.770 -2.171 3.263) 4.799 2.459 ( 1.639 -0.215 -2.034) 2.621 2.671 ( -1.084 10.854 -5.028) 12.011 2.750 ( -0.625 1.387 -2.173) 2.652 2.929 ( 0.844 -1.743 -4.052) 4.491 3.105 ( -2.167 2.095 1.049) 3.191 3.294 ( -1.064 -0.099 -2.224) 2.468 3.375 ( 0.216 -5.513 6.450) 8.488 3.491 ( -0.638 0.813 0.509) 1.152 3.660 ( 2.124 2.576 0.217) 3.346 3.804 ( 2.502 0.680 3.857) 4.648 4.363 ( 0.667 -0.681 -0.394) 1.031 4.555 ( 0.168 1.528 -0.457) 1.603 4.827 ( -2.112 1.208 -7.187) 7.588 5.206 ( 1.910 5.120 0.842) 5.529 6.093 ( -0.648 2.876 -2.949) 4.170 6.159 ( 0.310 -1.467 -0.165) 1.509 6.397 ( 1.299 0.282 0.383) 1.383 6.726 ( -0.527 1.583 -2.725) 3.195 8.908 ( -2.038 9.069 1.220) 9.375 8.962 ( -0.431 -7.919 2.624) 8.353 9.780 ( -2.716 2.969 2.181) 4.577 9.822 ( 2.461 -3.278 -0.712) 4.160 10.313 ( -0.935 2.785 0.900) 3.073 10.362 ( 0.671 -6.283 2.820) 6.919 10.620 ( 0.953 0.457 -1.318) 1.690 10.800 ( -1.574 -4.190 -0.421) 4.495 11.821 ( -0.540 -0.400 0.830) 1.068 11.944 ( 0.388 -0.288 -0.318) 0.579 12.885 ( 2.674 -8.681 -3.677) 9.799 12.948 ( -0.522 4.012 -1.416) 4.286 13.383 ( 1.115 3.148 -0.819) 3.438 13.447 ( 1.814 -1.415 1.718) 2.871 14.416 ( -4.923 4.078 -3.069) 7.091 14.531 ( 4.246 -4.086 2.724) 6.491 16.976 ( 1.341 -0.724 -1.315) 2.013 17.060 ( 1.452 0.369 -2.823) 3.196 17.444 ( -1.762 -1.487 4.449) 5.011 17.472 ( -0.202 0.820 1.146) 1.424 17.867 ( -1.798 0.873 2.657) 3.325 18.483 ( -2.550 2.375 -1.143) 3.667 23.196 ( -0.466 -0.558 4.916) 4.970 23.267 ( -6.381 -0.164 7.291) 9.691 25.293 ( 0.466 -0.131 1.047) 1.154 25.910 ( 2.301 0.624 -2.964) 3.804 27.928 ( -0.217 -0.030 0.378) 0.437 28.212 ( 0.690 0.245 -1.135) 1.350 28.799 ( -0.355 0.262 1.057) 1.145 29.183 ( 0.677 -0.910 -1.841) 2.162 29.703 ( 0.407 -3.621 -2.019) 4.166 29.911 ( 0.410 1.264 -1.127) 1.742 30.492 ( -2.140 -1.296 2.995) 3.903 31.108 ( -2.929 -5.603 -3.387) 7.172 31.278 ( 10.187 10.454 3.483) 15.006 31.919 ( -5.953 1.964 2.251) 6.661 32.127 ( 5.722 1.966 -6.502) 8.881 32.662 ( -3.314 -4.204 -0.223) 5.358 101.119 ( 0.045 -0.842 -2.762) 2.888 101.236 ( 2.642 1.284 -3.148) 4.306 101.352 ( -3.529 -0.319 1.553) 3.869 101.629 ( -0.698 6.297 2.215) 6.712 ======================= Grid point 72 (27/165) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -9.917 11.144 -6.575) 16.303 1.334 ( -9.272 16.359 2.029) 18.913 1.821 ( 4.224 -5.206 -4.314) 7.972 2.042 ( 2.179 0.209 -0.909) 2.370 2.088 ( 7.453 -2.106 6.566) 10.154 2.257 ( 0.535 9.169 4.166) 10.085 2.289 ( -10.537 13.110 1.861) 16.922 2.517 ( 2.309 -2.186 -1.783) 3.645 2.681 ( -6.195 1.546 -2.492) 6.854 2.974 ( 4.763 -3.132 -6.850) 8.912 3.078 ( -0.601 -1.063 -3.669) 3.867 3.262 ( 0.409 2.455 -3.106) 3.980 3.415 ( -5.927 3.476 1.164) 6.969 3.480 ( 3.010 -1.073 3.508) 4.745 3.614 ( -3.617 0.870 -0.937) 3.836 3.840 ( -0.077 -1.028 5.769) 5.860 4.321 ( 1.581 6.929 0.703) 7.142 4.448 ( -3.048 4.694 -7.923) 9.700 4.867 ( 1.114 -7.018 -0.840) 7.155 5.098 ( 0.063 8.182 -2.028) 8.430 6.089 ( -1.800 -5.294 -4.771) 7.350 6.242 ( 1.293 -6.493 -0.876) 6.678 6.415 ( 2.775 -0.021 -0.552) 2.829 6.683 ( 2.398 1.918 -3.033) 4.316 8.726 ( -2.334 9.786 1.561) 10.181 9.128 ( -0.159 -10.041 1.729) 10.190 9.654 ( -5.238 4.432 2.700) 7.374 9.916 ( 4.157 0.369 0.167) 4.176 10.237 ( -1.205 4.946 1.029) 5.193 10.512 ( -0.906 -10.351 3.674) 11.021 10.666 ( 1.805 -2.706 -0.500) 3.291 10.877 ( -2.152 -8.027 0.485) 8.325 11.840 ( -0.147 -1.633 1.007) 1.924 11.959 ( 0.676 -0.808 0.091) 1.058 12.759 ( -0.241 12.136 0.466) 12.147 13.089 ( 6.420 -6.240 -7.790) 11.867 13.349 ( 0.161 1.112 3.856) 4.016 13.530 ( 1.802 -5.389 -0.499) 5.705 14.290 ( -2.667 3.933 -2.079) 5.187 14.636 ( 4.011 -1.546 1.720) 4.630 16.993 ( 2.926 0.577 -1.893) 3.533 17.052 ( 1.321 0.432 -2.475) 2.838 17.457 ( -1.237 0.812 4.200) 4.453 17.482 ( -1.659 -1.815 3.267) 4.089 17.856 ( -1.900 -0.438 2.091) 2.859 18.380 ( -2.789 5.228 -2.267) 6.344 23.234 ( -3.531 -1.297 8.732) 9.508 23.246 ( -4.227 -0.626 5.822) 7.222 25.308 ( -0.608 -0.599 1.958) 2.136 25.930 ( 6.880 0.764 -3.248) 7.646 27.942 ( -0.060 -1.608 0.404) 1.659 28.199 ( 0.405 1.307 -1.205) 1.823 28.800 ( 0.373 0.298 1.032) 1.138 29.199 ( 0.547 -1.274 -1.379) 1.955 29.742 ( 4.453 1.013 -1.740) 4.888 29.831 ( -1.100 6.426 -0.820) 6.571 30.519 ( -2.106 -2.472 3.450) 4.738 31.188 ( -0.751 -8.099 -2.948) 8.652 31.247 ( 10.664 8.858 2.545) 14.095 31.794 ( -3.328 5.097 -6.411) 8.841 32.125 ( 1.434 0.150 -3.211) 3.520 32.711 ( -7.761 -7.981 2.613) 11.435 101.117 ( -0.434 -1.333 -3.477) 3.749 101.225 ( 2.824 1.447 -3.413) 4.660 101.328 ( -2.765 -0.097 0.652) 2.843 101.531 ( -2.283 4.683 0.320) 5.220 ======================= Grid point 73 (28/165) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -14.428 16.949 -5.931) 23.035 0.992 ( -9.196 18.349 7.934) 22.005 1.657 ( -17.738 28.873 8.401) 34.912 1.925 ( 3.636 -3.412 -5.180) 7.189 2.097 ( 0.325 1.474 2.312) 2.761 2.138 ( -0.577 5.129 1.105) 5.279 2.381 ( 4.846 -2.242 11.436) 12.621 2.523 ( 0.289 -1.361 -6.051) 6.209 2.642 ( -3.476 -5.062 0.022) 6.141 3.010 ( 3.121 -0.340 -9.117) 9.643 3.071 ( 0.578 -1.929 -5.567) 5.920 3.177 ( 0.845 3.942 -4.210) 5.830 3.342 ( -1.473 1.313 1.021) 2.222 3.507 ( 7.917 5.815 -2.679) 10.182 3.573 ( -5.502 -2.970 1.613) 6.458 3.921 ( 0.060 -4.575 5.323) 7.020 4.179 ( 0.002 9.858 -0.175) 9.859 4.330 ( -4.446 1.461 -4.913) 6.785 4.929 ( 1.339 5.885 1.345) 6.184 5.016 ( 0.290 -3.809 1.624) 4.151 6.108 ( -12.480 -9.337 -8.317) 17.666 6.353 ( 3.609 -4.154 -1.867) 5.811 6.443 ( 2.466 -0.781 -0.742) 2.691 6.709 ( 7.149 -0.144 -3.231) 7.847 8.571 ( -1.935 7.592 2.480) 8.217 9.291 ( 0.407 -8.741 -0.577) 8.769 9.579 ( -5.014 0.268 5.229) 7.249 9.906 ( 0.512 3.489 1.983) 4.046 10.164 ( -0.581 3.275 1.033) 3.483 10.696 ( 0.313 -1.355 3.574) 3.835 10.704 ( -2.886 -11.097 -1.291) 11.539 11.013 ( -1.680 -10.502 -0.286) 10.640 11.876 ( -0.062 -1.976 1.009) 2.220 11.980 ( 0.603 -0.748 0.046) 0.962 12.543 ( -0.884 13.721 0.444) 13.756 13.103 ( 4.035 4.184 -8.388) 10.205 13.417 ( 6.377 -0.736 -0.264) 6.425 13.653 ( 1.715 -8.365 -2.284) 8.839 14.219 ( 0.369 2.760 0.062) 2.785 14.679 ( 2.899 1.639 0.360) 3.349 16.986 ( 4.520 3.299 -4.337) 7.080 17.051 ( 0.874 -0.169 -1.695) 1.915 17.459 ( -1.432 -0.780 2.170) 2.715 17.518 ( -2.758 -2.173 6.280) 7.194 17.872 ( -1.432 -2.396 3.711) 4.644 18.251 ( -1.290 6.614 1.119) 6.831 23.213 ( -6.127 -0.229 5.493) 8.232 23.339 ( -2.866 -6.791 17.682) 19.157 25.320 ( -1.560 -0.771 2.586) 3.117 25.987 ( 10.713 1.907 -3.619) 11.468 27.980 ( 0.054 -2.645 0.325) 2.665 28.168 ( 0.251 2.057 -1.052) 2.324 28.808 ( 0.669 0.200 1.203) 1.391 29.217 ( 0.364 -1.184 -1.238) 1.751 29.675 ( -0.999 7.147 -2.552) 7.655 29.766 ( 10.102 6.996 -2.039) 12.456 30.561 ( -2.375 -2.747 4.019) 5.417 31.230 ( 9.640 7.057 1.584) 12.051 31.312 ( 0.945 -7.192 -3.447) 8.031 31.622 ( -1.516 6.279 -13.240) 14.732 32.112 ( -1.390 -0.123 -0.986) 1.708 32.781 ( -12.543 -11.296 5.467) 17.743 101.111 ( -0.502 -1.095 -3.737) 3.927 101.214 ( 3.430 1.644 -2.670) 4.648 101.302 ( -1.931 0.480 0.106) 1.993 101.441 ( -2.650 3.419 1.968) 4.752 ======================= Grid point 74 (29/165) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -15.904 10.176 8.004) 20.507 0.656 ( -10.723 16.464 16.977) 25.966 1.076 ( -12.278 30.521 29.824) 44.404 1.907 ( -0.585 4.902 -1.471) 5.152 2.069 ( -1.731 0.962 0.110) 1.983 2.126 ( 0.805 -1.936 1.717) 2.710 2.306 ( -4.650 4.390 -4.603) 7.879 2.644 ( 1.728 -0.046 -0.315) 1.757 2.741 ( 0.305 -11.608 4.910) 12.608 2.982 ( 2.260 -0.212 -4.608) 5.137 3.061 ( 0.664 2.516 -1.012) 2.793 3.189 ( 11.942 -0.775 -9.784) 15.458 3.316 ( 2.272 3.220 -2.163) 4.496 3.429 ( 1.791 7.313 -7.889) 10.905 3.605 ( -1.973 -4.318 -0.438) 4.768 3.885 ( -2.413 8.631 -10.850) 14.073 4.110 ( -11.995 -3.719 3.301) 12.985 4.241 ( 1.651 3.769 7.118) 8.221 5.036 ( 12.670 -8.308 16.206) 22.185 5.117 ( 9.659 -4.737 12.821) 16.737 6.005 ( -20.986 -6.211 -10.545) 24.294 6.420 ( 3.277 -1.334 -0.168) 3.542 6.505 ( 2.390 -2.164 0.432) 3.253 6.718 ( 6.253 6.795 -6.837) 11.490 8.476 ( -1.229 3.987 3.815) 5.653 9.377 ( 1.000 -2.177 -3.972) 4.638 9.603 ( -2.981 -3.710 3.238) 5.756 9.900 ( -6.603 -6.064 7.688) 11.810 10.129 ( 0.067 1.441 1.299) 1.941 10.679 ( -1.218 0.956 -0.787) 1.737 10.858 ( -7.076 -11.547 1.030) 13.582 11.149 ( -1.444 -8.328 -3.064) 8.991 11.902 ( -0.607 -0.900 0.193) 1.103 11.993 ( 0.121 -0.398 -0.500) 0.650 12.329 ( -2.090 9.609 0.271) 9.838 13.007 ( 4.090 6.975 -9.841) 12.737 13.350 ( 7.297 18.021 -13.288) 23.550 13.795 ( 1.001 -7.709 -2.124) 8.059 14.197 ( 0.916 1.809 1.448) 2.492 14.655 ( 1.220 3.250 -1.132) 3.651 16.927 ( 3.291 5.994 -4.941) 8.437 17.050 ( 0.621 -0.040 -2.106) 2.196 17.470 ( -1.536 -1.468 0.271) 2.142 17.533 ( -6.302 -1.658 -0.086) 6.517 17.993 ( 0.857 -8.381 7.175) 11.066 18.222 ( 7.813 1.235 14.048) 16.122 23.182 ( -5.070 0.004 4.285) 6.638 23.752 ( -3.304 -37.485 37.614) 53.206 25.330 ( -2.537 -1.170 3.166) 4.222 26.015 ( 11.403 8.376 -8.364) 16.436 28.028 ( 0.174 -2.867 0.128) 2.875 28.128 ( 0.213 2.446 -0.714) 2.557 28.821 ( 0.270 -0.346 1.632) 1.690 29.228 ( 0.261 -0.546 -1.608) 1.719 29.553 ( -0.352 4.760 -1.570) 5.025 29.666 ( 12.655 20.218 -14.973) 28.162 30.590 ( -2.890 -1.322 3.827) 4.975 31.223 ( 6.305 4.917 -0.231) 7.999 31.348 ( 3.866 5.607 -8.829) 11.151 31.459 ( 0.887 1.105 -3.555) 3.827 32.097 ( -1.260 -0.253 0.390) 1.343 32.893 ( -14.540 -16.753 7.558) 23.435 101.137 ( 3.217 -2.054 -0.712) 3.882 101.239 ( 3.957 -0.371 1.004) 4.099 101.317 ( 11.580 -0.664 13.203) 17.574 101.400 ( -0.124 1.329 5.715) 5.868 ======================= Grid point 76 (30/165) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 10.467 -0.000 19.105) 21.784 0.911 ( 18.099 -0.000 15.992) 24.152 1.827 ( 3.220 -0.000 -0.997) 3.371 1.943 ( -1.825 0.000 -5.208) 5.518 1.978 ( 19.510 -0.000 29.189) 35.109 2.091 ( 2.457 -0.000 -6.134) 6.607 2.233 ( 5.009 -0.000 8.362) 9.747 2.616 ( 1.547 -0.000 -4.212) 4.487 2.740 ( -6.022 0.000 2.637) 6.574 2.969 ( -1.536 0.000 6.202) 6.390 3.242 ( 3.264 -0.000 6.683) 7.437 3.310 ( 7.126 -0.000 1.646) 7.314 3.344 ( 4.019 -0.000 0.851) 4.108 3.423 ( 7.922 -0.000 -11.715) 14.142 3.622 ( 2.151 -0.000 -8.297) 8.572 3.703 ( 4.126 -0.000 2.423) 4.785 4.030 ( -3.002 0.000 8.183) 8.716 4.629 ( 6.201 -0.000 11.238) 12.836 5.086 ( -12.246 0.000 -1.092) 12.294 5.163 ( 2.508 -0.000 6.590) 7.051 6.367 ( -6.762 0.000 -3.420) 7.578 6.441 ( -3.464 0.000 1.045) 3.619 6.674 ( -2.386 0.000 3.803) 4.489 7.171 ( 23.805 -0.000 -27.752) 36.563 8.526 ( 0.909 -0.000 5.177) 5.256 9.335 ( 1.909 -0.000 -5.975) 6.272 9.595 ( -1.279 0.000 -0.129) 1.285 9.723 ( -7.609 0.000 8.236) 11.213 10.178 ( -1.885 0.000 4.596) 4.968 10.636 ( 1.027 -0.000 -0.693) 1.239 10.734 ( -2.130 0.000 -4.141) 4.657 11.049 ( -3.081 0.000 -8.612) 9.147 11.870 ( 0.648 -0.000 -2.596) 2.676 11.981 ( -0.248 0.000 -0.461) 0.523 12.199 ( -1.237 0.000 0.287) 1.270 12.783 ( 2.399 -0.000 -4.735) 5.309 13.225 ( 1.478 -0.000 7.463) 7.608 13.861 ( 1.271 -0.000 -2.128) 2.478 14.204 ( 0.848 -0.000 1.143) 1.423 14.558 ( -2.641 0.000 -2.526) 3.654 16.870 ( -0.599 0.000 0.598) 0.846 17.048 ( 1.065 -0.000 -1.797) 2.088 17.369 ( -3.246 0.000 3.138) 4.514 17.493 ( 0.925 -0.000 0.245) 0.956 18.052 ( -1.962 0.000 1.299) 2.353 18.436 ( -5.688 0.000 5.194) 7.702 23.145 ( -0.372 0.000 2.055) 2.088 23.569 ( -28.294 0.000 17.691) 33.370 25.318 ( 1.230 -0.000 -0.322) 1.272 25.832 ( -1.212 0.000 1.451) 1.890 28.084 ( 0.304 -0.000 0.802) 0.858 28.087 ( 0.453 -0.000 -0.967) 1.068 28.812 ( -2.078 0.000 1.637) 2.645 29.162 ( -0.140 0.000 -3.416) 3.419 29.299 ( -2.167 0.000 0.080) 2.169 29.576 ( 4.400 -0.000 -0.318) 4.411 30.544 ( -4.239 0.000 1.897) 4.644 31.250 ( -2.244 0.000 2.545) 3.393 31.490 ( 4.650 -0.000 -1.051) 4.767 31.809 ( 5.778 -0.000 -0.140) 5.780 32.169 ( 3.137 -0.000 2.774) 4.187 32.966 ( 3.720 -0.000 -12.499) 13.041 101.137 ( 0.937 -0.000 -3.799) 3.913 101.261 ( 2.263 -0.000 -1.704) 2.833 101.374 ( -4.106 0.000 5.203) 6.629 102.331 ( -5.763 0.000 -0.823) 5.822 ======================= Grid point 77 (31/165) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 13.999 -0.370 12.737) 18.930 1.292 ( 13.180 -10.040 13.826) 21.579 1.846 ( 1.492 1.384 -3.456) 4.010 1.961 ( 1.307 -5.580 -0.974) 5.813 2.055 ( 2.440 2.593 -2.269) 4.222 2.160 ( 0.431 -2.950 0.488) 3.021 2.517 ( 8.799 -2.514 10.900) 14.233 2.591 ( 2.083 1.505 -1.956) 3.229 2.750 ( 9.601 -0.725 12.819) 16.032 2.989 ( -2.893 -0.577 2.237) 3.702 3.241 ( 2.255 6.794 -5.041) 8.755 3.318 ( -0.541 1.733 2.145) 2.810 3.387 ( 2.626 1.658 -0.349) 3.125 3.440 ( 10.696 0.834 -0.979) 10.773 3.701 ( 4.193 -5.719 0.111) 7.093 3.766 ( 6.381 -0.378 -3.359) 7.221 4.036 ( -1.697 0.848 8.623) 8.829 4.718 ( 2.836 1.716 3.953) 5.159 4.975 ( -6.898 -0.382 -2.001) 7.193 5.244 ( 4.722 0.931 10.746) 11.775 6.257 ( -8.209 1.501 -3.157) 8.922 6.389 ( -3.412 0.805 0.889) 3.616 6.681 ( -5.240 -2.852 2.404) 6.432 7.005 ( 9.778 21.034 -16.489) 28.459 8.593 ( 0.821 -3.421 4.696) 5.867 9.336 ( 2.758 0.238 -5.390) 6.059 9.508 ( -2.681 4.465 3.374) 6.205 9.784 ( -3.240 -6.758 4.426) 8.704 10.181 ( -1.353 -0.174 4.176) 4.393 10.579 ( -0.606 6.622 -3.324) 7.435 10.711 ( 0.353 -1.164 -2.355) 2.651 10.924 ( -2.478 4.729 -7.724) 9.390 11.860 ( 0.270 0.628 -1.227) 1.405 11.970 ( -0.006 0.686 -0.445) 0.818 12.254 ( -1.069 -8.230 -0.830) 8.341 12.871 ( 0.885 -8.871 -6.847) 11.241 13.304 ( 1.369 -2.010 5.315) 5.845 13.802 ( 1.712 7.097 -1.584) 7.471 14.244 ( 1.727 -2.745 1.462) 3.558 14.531 ( -3.662 -1.852 -2.747) 4.938 16.885 ( -0.876 -2.235 -0.290) 2.418 17.052 ( 1.083 -0.290 -1.738) 2.068 17.363 ( -2.666 -0.948 3.132) 4.221 17.503 ( 1.093 0.278 0.306) 1.168 18.001 ( -2.011 3.721 2.251) 4.791 18.440 ( -4.490 -3.289 4.404) 7.097 23.160 ( 0.713 -0.163 2.011) 2.140 23.387 ( -15.221 3.187 13.489) 20.586 25.319 ( 1.542 1.242 -0.480) 2.037 25.855 ( -3.310 -3.552 0.426) 4.874 28.032 ( 0.042 3.523 0.050) 3.524 28.142 ( 0.765 -2.859 -0.313) 2.976 28.801 ( -1.979 -0.169 1.690) 2.608 29.160 ( -0.043 -1.254 -3.587) 3.800 29.335 ( -3.364 -7.694 -1.557) 8.541 29.660 ( 4.345 -4.477 -0.409) 6.252 30.505 ( -3.844 0.302 1.353) 4.086 31.204 ( -2.584 3.888 2.228) 5.173 31.531 ( 6.869 2.040 0.642) 7.194 31.861 ( 1.177 -1.093 2.601) 3.057 32.216 ( 3.020 0.558 2.942) 4.253 32.858 ( 2.832 7.192 -12.351) 14.571 101.124 ( 0.600 0.136 -3.148) 3.208 101.273 ( 2.733 0.659 -1.997) 3.448 101.359 ( -4.122 -0.338 3.970) 5.733 102.141 ( -5.549 12.165 4.290) 14.042 ======================= Grid point 78 (32/165) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 9.972 -3.157 3.863) 11.150 1.602 ( 6.818 -5.957 6.698) 11.262 1.829 ( 4.156 2.172 1.752) 5.006 2.014 ( 0.931 -0.060 0.405) 1.017 2.099 ( 2.355 -4.783 -0.364) 5.344 2.203 ( -0.671 -0.128 2.547) 2.637 2.433 ( -3.217 5.315 -5.878) 8.553 2.644 ( 2.148 -3.076 -1.395) 4.002 2.943 ( -1.965 2.382 -1.774) 3.561 3.048 ( 12.842 1.706 8.509) 15.499 3.124 ( 2.854 3.099 2.689) 4.998 3.292 ( -2.076 1.263 2.238) 3.303 3.360 ( -0.524 3.742 -1.299) 3.996 3.517 ( 7.887 1.372 -0.883) 8.054 3.790 ( 4.473 1.851 -0.827) 4.911 3.841 ( 8.560 1.097 4.869) 9.909 4.108 ( -0.360 -7.737 2.889) 8.267 4.689 ( 0.958 4.880 1.422) 5.172 4.903 ( -4.384 0.585 -4.398) 6.237 5.328 ( 4.574 2.558 8.391) 9.894 6.127 ( -7.465 1.673 -1.682) 7.833 6.361 ( -2.953 -0.485 -0.733) 3.081 6.589 ( -2.111 13.276 -4.779) 14.267 6.730 ( 0.832 5.258 -2.679) 5.959 8.699 ( 0.296 -5.923 3.630) 6.954 9.248 ( -1.026 8.938 -0.063) 8.997 9.548 ( 2.629 -7.054 0.551) 7.548 9.860 ( -3.186 -3.206 2.483) 5.157 10.216 ( -0.053 -2.457 4.038) 4.727 10.428 ( -1.263 6.618 -3.095) 7.414 10.720 ( 0.741 -0.010 -1.253) 1.456 10.784 ( -1.178 5.157 -5.562) 7.676 11.839 ( -0.335 1.380 0.120) 1.425 11.957 ( 0.297 0.801 -0.277) 0.898 12.422 ( -0.262 -13.833 -1.722) 13.943 12.960 ( -0.678 -5.902 -5.819) 8.316 13.359 ( 1.436 -0.501 2.227) 2.696 13.682 ( 2.931 9.327 -0.202) 9.779 14.348 ( 2.454 -5.748 2.325) 6.668 14.488 ( -4.775 -0.023 -3.014) 5.647 16.914 ( -0.528 -2.625 -1.065) 2.881 17.059 ( 1.274 -0.329 -2.090) 2.469 17.377 ( -2.402 -1.886 3.337) 4.523 17.508 ( 0.785 0.782 0.659) 1.290 17.936 ( -1.960 3.250 2.999) 4.837 18.468 ( -3.889 -2.926 1.638) 5.135 23.186 ( 1.068 -0.190 2.600) 2.817 23.289 ( -9.093 1.519 9.802) 13.456 25.311 ( 1.239 1.232 -0.158) 1.755 25.871 ( -2.659 -2.812 -0.824) 3.957 27.978 ( -0.145 2.942 0.181) 2.951 28.187 ( 0.883 -1.874 -0.653) 2.172 28.795 ( -1.519 -0.344 1.552) 2.199 29.158 ( 0.229 -0.763 -3.055) 3.157 29.438 ( -3.112 -10.209 -2.379) 10.935 29.791 ( 3.231 -6.364 -0.717) 7.174 30.474 ( -3.012 -0.065 1.496) 3.363 31.111 ( -2.770 4.516 0.969) 5.386 31.573 ( 10.038 5.202 2.045) 11.489 31.899 ( -1.901 -1.534 4.082) 4.757 32.239 ( 3.177 2.346 1.318) 4.163 32.692 ( 0.112 6.489 -10.488) 12.333 101.111 ( 0.341 0.130 -2.444) 2.472 101.273 ( 2.130 1.127 -2.113) 3.205 101.343 ( -2.914 -0.323 2.108) 3.611 101.928 ( -3.429 11.048 4.604) 12.450 ======================= Grid point 79 (33/165) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.838 -1.771 -4.198) 5.368 1.668 ( 2.214 3.312 -2.613) 4.764 1.898 ( 5.535 3.630 8.896) 11.088 2.057 ( -0.357 5.283 -6.106) 8.082 2.069 ( 2.967 0.604 1.319) 3.303 2.191 ( -1.895 -3.012 3.714) 5.143 2.402 ( -1.276 -4.730 2.217) 5.378 2.719 ( 2.229 -2.517 -2.865) 4.417 2.871 ( 0.167 3.000 -3.295) 4.459 2.955 ( 0.213 10.168 0.016) 10.170 3.145 ( -2.204 6.331 0.596) 6.730 3.272 ( -1.288 -0.105 0.644) 1.444 3.348 ( 3.698 -0.554 4.302) 5.700 3.542 ( 3.152 3.402 0.494) 4.664 3.765 ( 2.453 5.045 -2.328) 6.074 3.904 ( 5.633 3.609 4.319) 7.963 4.280 ( 1.792 -9.794 -0.293) 9.961 4.619 ( 0.400 5.341 0.151) 5.358 4.808 ( -2.600 2.798 -3.365) 5.091 5.329 ( 2.380 5.647 1.961) 6.434 6.041 ( -5.204 -0.009 -0.857) 5.274 6.269 ( 1.646 7.445 -3.631) 8.446 6.427 ( 1.317 2.858 1.095) 3.332 6.682 ( -4.130 -1.346 -2.997) 5.277 8.829 ( -0.167 -7.799 2.608) 8.225 9.073 ( -1.951 10.736 1.584) 11.026 9.736 ( 4.470 -9.990 0.030) 10.945 9.821 ( -4.171 3.948 1.287) 5.886 10.299 ( 0.332 -4.266 2.794) 5.110 10.339 ( -0.904 2.040 0.092) 2.233 10.669 ( 0.866 4.602 -1.631) 4.958 10.729 ( -0.812 -1.594 -2.162) 2.806 11.817 ( -0.632 0.668 0.565) 1.079 11.951 ( 0.543 0.369 0.140) 0.671 12.661 ( 1.407 -15.768 -2.241) 15.989 12.976 ( -1.077 -0.142 -2.975) 3.167 13.389 ( 1.862 -0.786 -0.879) 2.204 13.576 ( 3.301 8.295 1.779) 9.103 14.396 ( -4.621 2.050 -2.950) 5.853 14.496 ( 2.640 -6.350 2.331) 7.261 16.948 ( 0.236 -2.581 -1.309) 2.903 17.064 ( 1.537 -0.020 -2.624) 3.042 17.407 ( -2.440 -2.421 3.832) 5.148 17.501 ( 0.054 1.348 1.233) 1.827 17.887 ( -2.025 2.197 2.856) 4.133 18.460 ( -3.380 -0.483 -0.500) 3.451 23.215 ( 0.228 -0.104 4.231) 4.238 23.240 ( -6.470 0.332 7.256) 9.728 25.305 ( 0.165 0.624 0.611) 0.889 25.893 ( 0.438 -2.654 -2.080) 3.401 27.940 ( -0.165 1.574 0.334) 1.617 28.212 ( 0.758 -0.627 -1.008) 1.408 28.797 ( -0.830 -0.447 1.307) 1.611 29.160 ( 0.398 -1.032 -2.345) 2.593 29.565 ( -1.286 -9.758 -1.946) 10.032 29.897 ( 1.532 -3.298 -1.217) 3.835 30.464 ( -2.259 -0.951 2.215) 3.304 31.035 ( -2.164 0.981 -0.356) 2.402 31.594 ( 12.634 8.749 2.784) 15.618 31.896 ( -3.973 0.760 1.355) 4.266 32.221 ( 5.644 4.915 -3.240) 8.155 32.561 ( -6.130 0.157 -3.530) 7.076 101.100 ( 0.185 0.032 -1.842) 1.852 101.259 ( 0.785 0.946 -2.115) 2.446 101.332 ( -0.697 0.166 0.360) 0.802 101.756 ( -2.890 8.838 3.104) 9.803 ======================= Grid point 80 (34/165) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -2.824 6.807 -4.092) 8.429 1.530 ( -1.418 14.387 -2.862) 14.737 1.795 ( 2.710 1.606 -6.676) 7.382 2.096 ( 4.892 -0.345 3.035) 5.767 2.147 ( 5.106 -2.244 1.187) 5.702 2.250 ( -4.426 -6.063 4.869) 8.947 2.487 ( 1.825 -2.200 2.979) 4.128 2.629 ( -2.130 17.495 1.009) 17.653 2.651 ( -6.364 11.617 1.856) 13.375 2.950 ( 3.751 -4.208 -1.057) 5.735 3.061 ( 1.108 1.052 -3.636) 3.944 3.275 ( 0.800 -0.284 -2.361) 2.510 3.369 ( -4.767 0.764 -0.520) 4.855 3.474 ( -2.125 4.347 3.272) 5.841 3.674 ( 1.287 4.990 -3.710) 6.350 3.906 ( 2.376 2.819 1.265) 3.897 4.401 ( 2.807 -1.141 -0.095) 3.031 4.498 ( -1.306 7.414 -4.541) 8.792 4.789 ( 0.565 -2.933 2.735) 4.050 5.228 ( 0.745 8.003 -1.859) 8.250 5.986 ( -4.100 0.132 -1.579) 4.396 6.244 ( 5.902 -0.221 -0.050) 5.906 6.425 ( -0.209 -0.099 0.124) 0.263 6.664 ( -1.049 -2.831 -2.937) 4.212 8.885 ( -1.769 10.780 2.469) 11.200 8.978 ( -0.583 -9.104 1.881) 9.315 9.696 ( -3.969 5.610 1.241) 6.983 9.929 ( 4.908 -6.013 -0.685) 7.792 10.294 ( -1.391 2.769 0.353) 3.119 10.375 ( -1.809 -4.705 1.391) 5.229 10.662 ( 2.854 -1.466 1.227) 3.435 10.748 ( -2.153 -3.971 -1.066) 4.642 11.817 ( -0.513 -0.975 0.652) 1.280 11.959 ( 0.579 -0.337 0.438) 0.801 12.898 ( 1.028 1.660 -2.073) 2.848 12.933 ( 2.027 -10.355 -3.152) 11.012 13.402 ( 2.194 1.864 -2.290) 3.679 13.515 ( 0.836 2.225 2.216) 3.250 14.305 ( -2.166 2.360 -1.635) 3.596 14.627 ( 2.123 -4.823 1.403) 5.453 16.986 ( 0.937 -2.240 -1.764) 3.001 17.063 ( 1.920 0.421 -3.115) 3.683 17.443 ( -2.920 -2.513 4.522) 5.940 17.480 ( -0.820 1.568 1.650) 2.420 17.855 ( -1.839 1.031 2.693) 3.421 18.411 ( -1.971 2.467 -0.323) 3.174 23.207 ( -6.074 0.014 6.851) 9.156 23.250 ( -0.418 -0.621 5.489) 5.540 25.301 ( -1.116 -0.121 1.345) 1.752 25.948 ( 3.701 -3.110 -3.188) 5.791 27.929 ( -0.125 -0.138 0.467) 0.503 28.213 ( 0.581 0.555 -1.249) 1.485 28.806 ( -0.230 -0.442 1.102) 1.210 29.173 ( 0.487 -1.345 -1.758) 2.267 29.697 ( 1.188 -7.539 -1.853) 7.854 29.899 ( -0.008 3.141 -1.294) 3.397 30.478 ( -1.965 -1.712 2.812) 3.834 31.051 ( -0.577 -5.412 -0.975) 5.530 31.585 ( 12.263 11.235 3.343) 16.964 31.799 ( -1.125 4.409 -8.607) 9.736 32.170 ( 3.944 4.690 -4.586) 7.654 32.525 ( -10.722 -5.448 6.125) 13.496 101.094 ( 0.307 -0.040 -1.210) 1.249 101.240 ( 0.170 0.426 -2.173) 2.221 101.328 ( 1.243 0.712 -0.261) 1.456 101.610 ( -3.116 7.071 2.377) 8.084 ======================= Grid point 81 (35/165) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -3.120 19.400 -4.353) 20.126 1.234 ( -3.879 16.107 3.577) 16.949 1.874 ( 7.689 -5.613 -6.861) 11.735 2.113 ( 0.009 1.367 2.772) 3.091 2.124 ( -4.467 20.785 10.469) 23.697 2.257 ( 0.264 12.954 4.821) 13.825 2.388 ( -1.987 -8.826 3.167) 9.586 2.456 ( -5.162 3.771 -3.549) 7.312 2.585 ( 3.895 -1.977 2.989) 5.292 3.002 ( 2.380 0.867 -6.023) 6.534 3.042 ( 2.944 2.236 -6.349) 7.347 3.235 ( 0.659 1.394 -1.241) 1.980 3.309 ( -3.563 -1.616 1.259) 4.110 3.455 ( -3.965 -3.070 1.937) 5.376 3.610 ( 3.649 3.503 -4.818) 6.986 3.878 ( -3.903 0.249 -2.308) 4.541 4.326 ( 0.129 9.364 -3.818) 10.113 4.400 ( 3.403 4.642 3.502) 6.737 4.902 ( 0.802 -6.299 3.294) 7.153 5.107 ( 1.607 6.398 1.478) 6.760 5.933 ( -3.466 0.224 -0.794) 3.562 6.348 ( 5.858 -3.243 0.383) 6.707 6.421 ( -2.153 -1.603 -0.407) 2.715 6.722 ( 3.251 -3.538 -1.870) 5.156 8.714 ( -1.252 9.849 3.414) 10.499 9.136 ( -0.661 -9.890 1.181) 9.982 9.588 ( -3.264 3.871 2.156) 5.503 9.990 ( 2.902 2.784 -1.240) 4.208 10.223 ( -0.936 3.992 0.704) 4.160 10.476 ( -3.018 -10.568 -0.971) 11.033 10.716 ( 0.953 0.129 2.293) 2.487 10.827 ( -1.585 -9.156 -1.230) 9.373 11.843 ( -0.382 -2.132 0.616) 2.252 11.974 ( 0.179 -0.629 0.112) 0.664 12.746 ( -0.661 11.797 -1.121) 11.869 13.131 ( 6.249 -5.239 -9.092) 12.213 13.371 ( -1.525 -1.111 2.932) 3.486 13.551 ( 0.809 -4.902 -3.889) 6.310 14.263 ( 0.588 1.677 0.566) 1.865 14.701 ( 0.796 -1.695 -0.077) 1.874 17.012 ( 1.124 -0.982 -3.354) 3.672 17.057 ( 2.294 0.776 -3.411) 4.184 17.453 ( -2.635 0.776 2.821) 3.937 17.474 ( -2.669 -1.913 3.305) 4.659 17.853 ( -1.227 -0.901 3.726) 4.025 18.354 ( 0.968 4.102 3.730) 5.629 23.181 ( -5.070 -0.002 5.357) 7.376 23.303 ( -2.852 -3.089 10.475) 11.287 25.301 ( -1.795 -0.698 1.604) 2.506 26.026 ( 4.532 -3.186 -4.432) 7.094 27.946 ( -0.131 -1.678 0.494) 1.754 28.194 ( 0.542 1.458 -1.244) 1.992 28.817 ( -0.083 -0.319 1.079) 1.129 29.192 ( 0.483 -1.371 -1.557) 2.130 29.775 ( 2.131 4.124 -2.762) 5.402 29.825 ( 0.668 -0.643 -2.567) 2.729 30.508 ( -2.011 -2.448 3.307) 4.580 31.168 ( 0.739 -8.708 -1.320) 8.839 31.491 ( -0.105 9.674 -2.070) 9.893 31.692 ( 12.790 7.817 -11.792) 19.072 32.115 ( -0.256 1.952 -1.411) 2.422 32.560 ( -10.495 -6.457 11.639) 16.950 101.100 ( 1.304 -0.358 -0.124) 1.358 101.230 ( 0.380 -0.256 -1.748) 1.807 101.341 ( 3.918 0.707 1.682) 4.322 101.492 ( -3.298 5.025 3.478) 6.944 ======================= Grid point 82 (36/165) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 1.637 20.222 1.340) 20.332 0.988 ( 1.185 17.741 14.116) 22.703 1.744 ( 3.380 30.315 27.202) 40.870 1.979 ( 5.849 0.243 -4.814) 7.579 2.099 ( -4.125 6.524 2.662) 8.165 2.111 ( -1.571 1.037 -0.788) 2.041 2.265 ( -6.593 1.704 -5.868) 8.989 2.591 ( 0.029 -7.155 1.439) 7.298 2.665 ( 1.210 -2.358 3.570) 4.447 2.995 ( 6.973 -1.203 -6.204) 9.411 3.036 ( 2.713 -3.492 -7.645) 8.832 3.233 ( 5.317 2.496 -1.759) 6.132 3.328 ( -0.922 -1.593 1.251) 2.225 3.506 ( -1.338 -1.777 2.546) 3.381 3.532 ( 1.204 4.860 -10.959) 12.048 3.767 ( -11.075 -0.989 -1.593) 11.233 4.150 ( -1.172 9.191 -1.488) 9.384 4.437 ( 7.799 3.241 9.466) 12.686 5.007 ( 0.675 -3.704 3.340) 5.033 5.145 ( 0.558 -5.775 8.099) 9.963 5.961 ( 11.145 -2.471 4.382) 12.228 6.428 ( 0.078 -2.377 0.450) 2.420 6.457 ( 1.093 -3.623 -0.460) 3.812 6.786 ( 2.781 -1.043 -2.638) 3.972 8.586 ( -0.373 7.412 4.399) 8.627 9.286 ( -0.098 -8.113 -0.852) 8.158 9.529 ( -3.767 0.339 3.247) 4.985 9.923 ( -0.457 5.741 0.751) 5.808 10.169 ( -0.274 2.436 1.336) 2.792 10.594 ( -3.496 -8.229 -3.672) 9.666 10.728 ( -0.714 -0.972 2.302) 2.598 10.959 ( -1.351 -9.789 -3.328) 10.427 11.873 ( -0.801 -1.741 0.253) 1.934 11.980 ( -0.349 -0.480 -0.758) 0.963 12.512 ( -1.234 13.928 -1.610) 14.075 13.105 ( 4.304 5.951 -7.929) 10.808 13.421 ( -1.437 -1.112 -6.944) 7.178 13.641 ( 0.567 -9.191 -3.719) 9.931 14.245 ( 0.003 2.435 1.578) 2.901 14.694 ( -0.947 1.731 -1.621) 2.553 16.988 ( 0.703 2.384 -5.420) 5.963 17.051 ( 1.836 0.487 -2.801) 3.385 17.428 ( -3.868 0.076 2.552) 4.635 17.483 ( -2.006 -0.695 1.695) 2.717 17.912 ( -0.976 -4.755 5.080) 7.026 18.369 ( 4.132 1.568 9.581) 10.551 23.159 ( -3.614 0.149 3.884) 5.307 23.435 ( -9.306 -11.733 19.323) 24.446 25.302 ( -1.878 -0.819 1.368) 2.463 26.064 ( 0.765 -0.334 -7.062) 7.111 27.983 ( -0.178 -2.694 0.358) 2.723 28.166 ( 0.654 2.070 -0.955) 2.371 28.824 ( -0.587 -0.177 1.260) 1.401 29.207 ( 0.311 -1.009 -1.871) 2.148 29.658 ( 1.373 7.832 -0.932) 8.006 29.794 ( -1.496 4.927 -12.355) 13.385 30.545 ( -2.405 -2.350 3.650) 4.963 31.279 ( -2.322 0.656 -4.339) 4.965 31.329 ( -1.192 -3.107 -1.644) 3.711 31.681 ( 18.193 7.792 -7.268) 21.084 32.099 ( 0.618 0.045 0.889) 1.084 32.654 ( -5.569 -8.281 12.956) 16.354 101.131 ( 2.086 -1.096 -1.722) 2.918 101.237 ( 0.717 -0.652 -1.354) 1.665 101.420 ( -3.597 2.063 4.924) 6.438 101.492 ( 13.380 -7.516 13.343) 20.336 ======================= Grid point 85 (37/165) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 9.183 -0.000 13.061) 15.967 1.433 ( 15.429 -0.000 10.561) 18.697 1.901 ( 2.036 -0.000 -0.407) 2.076 1.918 ( 5.716 -0.000 0.214) 5.720 2.094 ( -3.262 0.000 0.185) 3.267 2.125 ( 6.636 -0.000 -6.468) 9.267 2.566 ( -2.459 0.000 2.834) 3.752 2.591 ( 1.103 -0.000 -5.848) 5.951 2.965 ( -3.975 0.000 2.948) 4.949 3.021 ( 20.446 -0.000 16.564) 26.313 3.317 ( 1.376 -0.000 -0.881) 1.634 3.332 ( -2.256 0.000 3.386) 4.068 3.444 ( 2.699 -0.000 -3.862) 4.712 3.526 ( 9.191 -0.000 -10.585) 14.018 3.658 ( 5.537 -0.000 5.446) 7.766 3.820 ( 5.459 -0.000 0.060) 5.459 4.116 ( 2.060 -0.000 9.191) 9.419 4.782 ( 2.405 -0.000 2.082) 3.181 4.895 ( -5.228 0.000 -1.090) 5.340 5.367 ( 5.230 -0.000 10.529) 11.756 6.163 ( -7.818 0.000 -3.869) 8.722 6.345 ( -5.481 0.000 0.013) 5.481 6.602 ( -7.461 0.000 2.437) 7.849 7.126 ( 0.766 -0.000 -18.658) 18.673 8.599 ( 0.658 -0.000 4.303) 4.353 9.332 ( 4.146 -0.000 -6.001) 7.294 9.566 ( -1.578 0.000 0.986) 1.861 9.702 ( -4.084 0.000 8.700) 9.611 10.184 ( -1.871 0.000 3.870) 4.299 10.639 ( -1.277 0.000 -5.880) 6.017 10.674 ( 2.111 -0.000 0.176) 2.118 10.891 ( -2.230 0.000 -7.265) 7.599 11.861 ( 0.729 -0.000 -1.393) 1.572 11.974 ( -0.011 0.000 -0.228) 0.229 12.179 ( -0.851 0.000 0.276) 0.895 12.785 ( 2.194 -0.000 -3.693) 4.295 13.342 ( 2.298 -0.000 5.246) 5.728 13.866 ( 1.218 -0.000 -1.846) 2.211 14.245 ( 1.951 -0.000 0.459) 2.005 14.464 ( -3.137 0.000 -2.473) 3.995 16.857 ( -1.086 0.000 0.403) 1.159 17.051 ( 1.026 -0.000 -1.550) 1.859 17.343 ( -2.807 0.000 3.240) 4.287 17.520 ( 1.269 -0.000 0.035) 1.270 18.020 ( -2.153 0.000 1.143) 2.438 18.382 ( -4.796 0.000 4.461) 6.550 23.182 ( 1.592 -0.000 2.019) 2.571 23.328 ( -12.607 0.000 11.511) 17.072 25.346 ( 2.220 -0.000 -1.534) 2.698 25.795 ( -3.965 0.000 2.061) 4.469 28.091 ( 0.868 -0.000 -0.959) 1.293 28.096 ( -0.018 0.000 0.688) 0.688 28.788 ( -2.010 0.000 1.850) 2.731 29.125 ( 0.203 -0.000 -3.114) 3.120 29.246 ( -2.412 0.000 -0.212) 2.421 29.667 ( 4.209 -0.000 -0.692) 4.266 30.474 ( -3.365 0.000 0.970) 3.502 31.229 ( -2.370 0.000 2.443) 3.404 31.617 ( 6.872 -0.000 0.938) 6.936 31.875 ( -0.523 0.000 3.659) 3.696 32.269 ( 2.404 -0.000 3.617) 4.343 32.866 ( 2.307 -0.000 -15.418) 15.589 101.115 ( 0.428 -0.000 -2.416) 2.454 101.301 ( 3.493 -0.000 -2.515) 4.305 101.331 ( -4.169 0.000 3.151) 5.226 102.164 ( -9.160 0.000 2.065) 9.390 ======================= Grid point 86 (38/165) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 5.700 1.823 6.117) 8.558 1.658 ( 9.701 -2.833 5.792) 11.648 1.937 ( 7.345 0.956 4.387) 8.608 2.005 ( 0.780 -1.240 0.255) 1.487 2.062 ( 1.065 -1.781 0.703) 2.191 2.191 ( 4.498 -2.718 -3.093) 6.098 2.479 ( -2.186 6.285 -5.451) 8.602 2.596 ( -0.463 -2.836 -2.019) 3.512 2.921 ( -4.598 1.128 0.834) 4.807 3.166 ( 2.557 5.405 -6.466) 8.807 3.308 ( -2.542 1.573 4.059) 5.041 3.346 ( 11.561 2.862 9.264) 15.089 3.413 ( 1.285 2.935 0.361) 3.224 3.603 ( 8.261 -1.765 -7.883) 11.555 3.808 ( 3.386 -4.670 4.554) 7.349 3.886 ( 6.194 -2.558 -0.937) 6.766 4.160 ( 4.340 4.651 7.654) 9.952 4.781 ( 1.562 3.532 1.270) 4.065 4.849 ( -3.462 -0.018 -0.364) 3.481 5.451 ( 3.652 1.804 5.765) 7.059 6.057 ( -6.547 0.638 -3.016) 7.237 6.301 ( -4.258 -1.507 -0.385) 4.533 6.539 ( -8.033 -1.393 -0.048) 8.153 6.910 ( -1.299 12.072 -12.715) 17.581 8.649 ( 0.019 -2.921 3.215) 4.344 9.345 ( 2.940 2.374 -4.194) 5.645 9.513 ( -0.506 1.145 3.653) 3.862 9.778 ( -2.859 -5.527 5.880) 8.561 10.197 ( -1.193 -1.566 3.209) 3.765 10.517 ( -1.101 7.485 -3.272) 8.242 10.712 ( 1.019 -1.047 -1.947) 2.434 10.821 ( 0.256 2.982 -3.987) 4.985 11.863 ( 0.488 0.755 0.359) 0.968 11.969 ( 0.128 0.462 -0.053) 0.482 12.233 ( -0.417 -7.681 -0.038) 7.692 12.837 ( 1.218 -5.229 -3.557) 6.440 13.389 ( 1.762 0.084 2.768) 3.282 13.825 ( 1.732 5.136 -1.183) 5.548 14.299 ( 1.897 -3.811 0.827) 4.337 14.424 ( -3.205 -0.296 -2.350) 3.985 16.863 ( -0.868 -1.909 -0.225) 2.109 17.056 ( 1.113 -0.279 -1.860) 2.185 17.342 ( -2.771 -1.265 3.493) 4.635 17.529 ( 0.956 0.390 0.091) 1.036 17.980 ( -1.989 2.702 1.977) 3.894 18.382 ( -4.202 -2.942 2.246) 5.600 23.214 ( 1.719 -0.013 2.663) 3.170 23.264 ( -8.960 0.756 9.512) 13.090 25.347 ( 1.865 1.476 -1.512) 2.819 25.786 ( -3.790 -2.939 0.825) 4.866 28.034 ( 0.131 3.807 0.005) 3.809 28.152 ( 0.613 -2.990 -0.480) 3.089 28.781 ( -1.728 -0.386 1.742) 2.484 29.127 ( 0.555 -1.226 -3.086) 3.367 29.267 ( -2.234 -5.809 0.052) 6.223 29.736 ( 3.310 -3.870 -0.909) 5.172 30.449 ( -2.473 -0.122 1.211) 2.756 31.174 ( -2.293 4.680 1.610) 5.455 31.707 ( 7.811 -0.779 0.555) 7.870 31.886 ( -2.209 -0.340 4.059) 4.633 32.304 ( 1.450 0.772 3.827) 4.165 32.748 ( 2.132 6.670 -14.263) 15.890 101.106 ( 0.401 0.188 -1.519) 1.582 101.293 ( -1.673 0.989 0.303) 1.967 101.329 ( 1.716 -0.375 -1.492) 2.305 102.029 ( -7.157 5.982 1.939) 9.527 ======================= Grid point 87 (39/165) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 2.611 2.051 0.144) 3.323 1.754 ( 6.416 2.461 -1.692) 7.077 2.004 ( -1.059 -2.032 -0.818) 2.433 2.049 ( 6.212 0.088 3.883) 7.327 2.149 ( 1.743 -1.605 3.885) 4.551 2.203 ( -0.159 9.083 -4.363) 10.078 2.334 ( -1.705 -2.927 0.367) 3.407 2.659 ( 1.650 -5.239 -2.660) 6.103 2.842 ( -5.184 2.006 0.052) 5.559 3.071 ( 1.690 3.547 -4.028) 5.627 3.264 ( -2.656 4.031 0.067) 4.828 3.289 ( -0.847 6.778 2.500) 7.273 3.475 ( 6.656 3.615 4.315) 8.717 3.641 ( 6.305 2.700 -4.939) 8.452 3.825 ( -0.808 3.254 -1.587) 3.709 4.057 ( 7.396 -3.088 -0.341) 8.022 4.153 ( 0.909 -0.141 3.667) 3.781 4.715 ( 0.432 5.980 -1.655) 6.219 4.822 ( -1.188 1.277 4.325) 4.664 5.437 ( 0.955 4.543 -1.305) 4.822 5.985 ( -3.788 -0.252 -1.379) 4.039 6.292 ( -1.362 -1.306 -1.396) 2.347 6.488 ( -2.895 -0.977 -1.376) 3.351 6.650 ( -2.416 9.460 -6.518) 11.739 8.729 ( -0.655 -5.579 2.035) 5.974 9.233 ( -0.656 9.660 0.903) 9.724 9.618 ( 2.645 -8.589 1.108) 9.055 9.828 ( -2.772 -0.367 3.127) 4.194 10.247 ( -0.883 -3.782 2.223) 4.475 10.385 ( -0.661 5.256 -0.283) 5.305 10.714 ( 1.040 0.536 -0.881) 1.465 10.752 ( 1.356 4.815 -1.821) 5.323 11.843 ( -0.091 2.193 1.097) 2.453 11.964 ( 0.231 0.479 0.329) 0.626 12.416 ( 0.602 -14.213 -0.133) 14.226 12.911 ( 0.369 -4.435 -2.549) 5.129 13.404 ( 1.394 0.679 -0.480) 1.623 13.743 ( 2.254 7.121 0.009) 7.469 14.363 ( -2.593 0.653 -2.010) 3.344 14.419 ( 1.010 -6.179 1.193) 6.373 16.894 ( -0.239 -2.921 -0.979) 3.090 17.062 ( 1.257 -0.347 -2.423) 2.752 17.362 ( -2.777 -2.217 3.928) 5.296 17.527 ( 0.296 0.987 0.446) 1.123 17.924 ( -1.924 2.961 2.614) 4.393 18.398 ( -2.984 -2.688 0.310) 4.028 23.219 ( -6.718 0.634 8.062) 10.514 23.246 ( 1.109 0.118 3.623) 3.791 25.326 ( 0.354 1.655 -0.648) 1.812 25.818 ( -1.314 -4.486 -1.316) 4.856 27.978 ( -0.064 3.022 0.219) 3.031 28.194 ( 0.621 -1.784 -0.946) 2.112 28.783 ( -1.241 -0.776 1.439) 2.053 29.136 ( 0.816 -0.965 -2.367) 2.684 29.380 ( -1.190 -9.893 0.071) 9.964 29.837 ( 2.056 -5.120 -1.185) 5.643 30.441 ( -1.692 -0.591 1.957) 2.654 31.071 ( -1.858 5.205 0.628) 5.562 31.796 ( 7.769 1.160 -0.030) 7.855 31.874 ( -2.345 0.255 -0.624) 2.440 32.330 ( 1.615 0.755 5.723) 5.994 32.552 ( -0.309 9.676 -10.479) 14.266 101.101 ( 0.535 0.338 -0.602) 0.874 101.260 ( -1.656 0.732 -0.568) 1.898 101.342 ( 2.459 0.232 -2.169) 3.287 101.863 ( -4.962 7.444 1.394) 9.054 ======================= Grid point 88 (40/165) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 2.555 2.624 -0.017) 3.663 1.725 ( 5.930 8.882 -5.441) 11.985 1.864 ( -1.845 10.936 -8.006) 13.678 2.087 ( -2.932 -6.333 -0.693) 7.013 2.140 ( 1.069 -1.574 -1.123) 2.209 2.178 ( 1.462 1.570 3.565) 4.161 2.449 ( -2.494 -6.121 5.223) 8.424 2.648 ( -2.216 5.138 -1.885) 5.904 2.863 ( 0.912 -8.116 1.432) 8.292 3.034 ( 4.145 10.260 3.964) 11.754 3.069 ( -3.200 7.544 0.314) 8.201 3.263 ( -0.021 0.161 -0.178) 0.240 3.430 ( 0.452 7.582 -3.590) 8.401 3.570 ( -0.111 7.480 -2.177) 7.791 3.730 ( -0.339 3.644 -3.229) 4.880 4.008 ( 1.911 7.804 -1.645) 8.201 4.318 ( 1.241 -10.353 0.055) 10.428 4.591 ( -0.026 7.291 -3.287) 7.997 4.827 ( 0.946 1.957 7.200) 7.521 5.327 ( -0.555 5.957 -5.678) 8.248 5.959 ( -1.634 -0.001 -0.367) 1.675 6.305 ( 3.546 -0.463 -1.546) 3.896 6.448 ( -0.650 5.916 -1.142) 6.061 6.553 ( -1.874 -6.108 -2.595) 6.896 8.838 ( -1.110 -7.903 1.323) 8.090 9.063 ( -1.065 10.979 2.667) 11.348 9.759 ( -1.643 3.985 0.987) 4.422 9.819 ( 1.494 -9.546 0.346) 9.669 10.303 ( -0.610 -1.802 0.362) 1.936 10.334 ( -1.090 0.805 1.460) 1.992 10.684 ( 0.747 2.544 -1.811) 3.211 10.724 ( 1.571 0.641 2.722) 3.207 11.816 ( -0.373 1.098 1.009) 1.537 11.964 ( 0.109 0.118 0.569) 0.591 12.680 ( 1.791 -16.384 -0.734) 16.498 12.944 ( 0.321 -0.014 -1.382) 1.419 13.404 ( 1.390 -0.466 -3.389) 3.693 13.635 ( 0.194 8.283 0.637) 8.309 14.313 ( -0.367 1.543 -0.670) 1.722 14.545 ( 0.056 -7.033 0.700) 7.068 16.938 ( 0.428 -3.058 -1.667) 3.510 17.066 ( 1.491 -0.218 -2.935) 3.299 17.394 ( -2.937 -2.510 4.322) 5.797 17.508 ( -0.424 1.658 0.853) 1.912 17.877 ( -1.714 2.102 2.764) 3.872 18.409 ( -0.813 -1.034 0.580) 1.438 23.188 ( -5.316 0.461 6.826) 8.664 23.273 ( -0.196 0.154 5.027) 5.033 25.300 ( -0.924 0.874 0.113) 1.277 25.885 ( 1.109 -5.186 -3.045) 6.116 27.942 ( -0.159 1.526 0.420) 1.591 28.213 ( 0.564 -0.495 -1.300) 1.501 28.794 ( -0.791 -0.991 1.103) 1.681 29.151 ( 1.039 -1.037 -1.677) 2.229 29.546 ( 0.351 -10.562 0.177) 10.570 29.908 ( 1.001 -1.863 -1.476) 2.579 30.454 ( -1.302 -1.126 2.936) 3.403 31.004 ( -0.664 0.736 0.010) 0.991 31.750 ( -5.523 5.388 -2.442) 8.093 31.881 ( 11.878 1.612 -9.018) 15.000 32.319 ( 1.331 11.611 -5.426) 12.885 32.398 ( -4.200 -3.165 10.735) 11.954 101.102 ( 0.920 0.343 0.260) 1.015 101.231 ( -0.813 0.364 -1.563) 1.799 101.353 ( 2.499 0.208 -1.486) 2.914 101.703 ( -3.687 7.257 1.070) 8.209 ======================= Grid point 89 (41/165) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 5.509 14.449 -0.374) 15.468 1.462 ( -0.758 13.555 0.641) 13.591 1.835 ( 7.110 -3.831 -7.601) 11.090 2.092 ( -7.275 -1.204 0.857) 7.424 2.169 ( -0.272 -0.355 -1.021) 1.115 2.221 ( -3.710 -5.748 -1.733) 7.058 2.422 ( -3.702 -0.830 -4.699) 6.040 2.630 ( 3.816 1.510 5.083) 6.533 2.754 ( 0.561 23.481 13.994) 27.341 2.986 ( 1.024 -1.068 -2.432) 2.847 3.125 ( -1.913 -8.772 2.127) 9.227 3.176 ( 4.154 10.161 -8.298) 13.761 3.306 ( 0.219 0.641 -0.996) 1.205 3.450 ( -3.164 4.178 2.372) 5.753 3.674 ( 2.613 3.121 -3.007) 5.061 3.869 ( -3.408 6.588 -5.225) 9.073 4.426 ( -1.324 1.651 -1.162) 2.414 4.475 ( 3.252 2.238 -1.850) 4.360 4.874 ( 1.491 -1.780 7.276) 7.638 5.200 ( -0.068 4.940 -4.510) 6.690 5.946 ( 1.363 0.543 0.918) 1.731 6.356 ( -2.454 0.377 -0.858) 2.627 6.368 ( 2.068 -2.134 -0.750) 3.065 6.660 ( 2.569 -5.957 -0.872) 6.545 8.893 ( -0.733 10.770 3.639) 11.392 8.974 ( -1.333 -9.514 1.132) 9.673 9.658 ( -0.841 5.948 1.400) 6.168 9.979 ( 0.457 -6.785 -1.698) 7.009 10.276 ( -0.284 3.351 0.507) 3.401 10.342 ( -1.296 -2.360 -0.143) 2.696 10.685 ( -1.579 -4.060 -1.673) 4.667 10.753 ( 1.904 0.405 3.457) 3.967 11.816 ( -0.323 -0.874 0.792) 1.223 11.966 ( -0.314 -0.218 0.202) 0.433 12.887 ( 0.167 6.789 -1.540) 6.964 12.954 ( 2.689 -14.988 -3.037) 15.527 13.409 ( 1.663 0.072 -4.517) 4.814 13.501 ( -2.954 4.909 0.315) 5.738 14.303 ( 1.942 1.364 1.394) 2.752 14.639 ( -1.514 -5.064 -0.627) 5.322 16.976 ( 0.640 -2.108 -2.534) 3.358 17.067 ( 1.736 0.046 -3.282) 3.713 17.424 ( -3.112 -1.848 4.363) 5.669 17.477 ( -0.654 1.670 0.905) 2.009 17.856 ( -1.239 0.469 3.251) 3.510 18.428 ( 1.662 0.429 3.209) 3.640 23.167 ( -3.988 0.366 5.550) 6.844 23.296 ( -2.283 -0.589 7.258) 7.631 25.283 ( -1.208 -0.071 0.449) 1.290 25.963 ( 1.323 -4.815 -4.179) 6.511 27.931 ( -0.251 -0.178 0.516) 0.601 28.210 ( 0.629 0.546 -1.381) 1.613 28.808 ( -0.676 -0.897 0.922) 1.453 29.171 ( 1.073 -1.020 -1.508) 2.113 29.710 ( 1.177 -7.858 -0.885) 7.995 29.891 ( 0.836 4.019 -1.418) 4.344 30.479 ( -1.256 -1.415 3.536) 4.010 31.048 ( 0.850 -5.930 -0.205) 5.994 31.531 ( -7.072 8.068 -9.807) 14.536 31.927 ( 14.334 4.697 -8.966) 17.548 32.135 ( -5.888 4.591 1.152) 7.555 32.489 ( -0.330 -2.358 11.479) 11.723 101.114 ( 1.474 0.054 0.400) 1.528 101.217 ( 0.278 -0.337 -1.897) 1.947 101.382 ( 2.470 -0.973 1.276) 2.945 101.570 ( -2.314 5.823 1.959) 6.565 ======================= Grid point 90 (42/165) ======================= q-point: (-0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 6.548 19.949 -0.926) 21.017 1.362 ( 6.658 12.802 12.992) 19.417 1.958 ( 2.636 -6.874 -5.913) 9.443 2.022 ( -6.906 1.578 -1.663) 7.276 2.075 ( -2.982 2.696 -4.063) 5.715 2.223 ( -3.355 -0.593 1.286) 3.642 2.471 ( 5.217 22.914 20.361) 31.094 2.506 ( 3.723 -6.545 -1.775) 7.736 2.659 ( -1.377 2.092 2.688) 3.674 2.946 ( 2.758 -2.403 -11.068) 11.657 3.062 ( 4.992 2.418 -4.666) 7.248 3.299 ( 0.776 -2.607 4.226) 5.026 3.311 ( 3.166 0.875 -0.488) 3.321 3.435 ( -1.222 -5.392 5.119) 7.534 3.607 ( -0.317 8.130 -7.657) 11.172 3.697 ( -3.040 2.138 0.063) 3.717 4.284 ( -0.208 9.503 -2.901) 9.938 4.538 ( 3.220 -2.440 2.767) 4.897 4.991 ( 1.562 -4.818 6.992) 8.633 5.122 ( -0.957 2.401 -1.566) 3.022 6.042 ( 10.230 -5.564 3.380) 12.125 6.325 ( -5.928 -3.276 -0.249) 6.778 6.433 ( 1.531 -2.815 -1.624) 3.592 6.754 ( 0.985 -2.933 -0.341) 3.113 8.746 ( -0.080 9.338 4.300) 10.281 9.126 ( -1.376 -10.054 0.995) 10.196 9.574 ( 0.245 5.132 1.478) 5.346 9.996 ( -1.375 2.348 -1.161) 2.958 10.218 ( -0.271 3.475 1.077) 3.648 10.404 ( -1.270 -7.539 -2.512) 8.047 10.721 ( -1.805 -1.947 0.591) 2.721 10.803 ( 0.460 -4.777 -1.579) 5.053 11.839 ( -0.611 -1.666 0.559) 1.860 11.964 ( -0.631 -0.285 -0.691) 0.978 12.710 ( -0.641 12.780 -2.540) 13.046 13.132 ( 2.781 -4.558 -8.919) 10.395 13.364 ( -2.003 1.748 2.877) 3.917 13.491 ( -0.192 -6.369 -4.461) 7.778 14.305 ( 1.700 2.738 2.524) 4.094 14.663 ( -3.056 -1.769 -1.921) 4.020 16.983 ( 0.200 0.052 -3.204) 3.211 17.063 ( 1.711 0.446 -3.241) 3.692 17.421 ( -2.699 0.940 3.346) 4.401 17.468 ( -0.432 -0.582 1.256) 1.449 17.876 ( -1.022 -1.851 4.040) 4.560 18.468 ( 2.341 0.740 5.761) 6.262 23.154 ( -2.420 0.338 4.089) 4.764 23.331 ( -5.824 -2.988 10.784) 12.615 25.281 ( -0.805 -0.611 0.475) 1.117 26.003 ( -0.918 -2.356 -4.796) 5.422 27.946 ( -0.355 -1.664 0.431) 1.755 28.196 ( 0.837 1.282 -1.129) 1.902 28.816 ( -1.018 -0.504 1.015) 1.524 29.186 ( 0.783 -0.750 -1.925) 2.209 29.758 ( -2.355 1.909 -5.208) 6.026 29.810 ( 2.887 5.877 -0.812) 6.598 30.509 ( -1.812 -1.662 3.391) 4.189 31.189 ( 2.614 -8.096 -0.850) 8.550 31.284 ( -6.798 4.782 -5.864) 10.172 31.904 ( 7.394 7.067 -3.573) 10.834 32.099 ( 0.763 -1.954 0.111) 2.101 32.596 ( 1.540 -3.801 7.419) 8.477 101.129 ( 1.387 -0.241 -1.615) 2.142 101.227 ( 1.371 -0.854 -1.820) 2.433 101.424 ( -3.408 0.247 3.943) 5.217 101.559 ( 6.052 -3.648 7.298) 10.159 ======================= Grid point 94 (43/165) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 0.708 -0.000 5.665) 5.709 1.759 ( 7.725 -0.000 3.339) 8.415 1.998 ( -1.107 0.000 -1.800) 2.113 2.052 ( 7.319 -0.000 5.082) 8.911 2.072 ( 1.247 -0.000 4.827) 4.986 2.204 ( 6.638 -0.000 -4.427) 7.978 2.507 ( -1.059 0.000 -9.271) 9.331 2.517 ( -1.909 0.000 -0.403) 1.951 2.895 ( -2.924 0.000 0.100) 2.925 3.218 ( 2.055 -0.000 -6.925) 7.224 3.306 ( -3.960 0.000 4.215) 5.783 3.421 ( 0.352 -0.000 -3.308) 3.327 3.537 ( 7.191 -0.000 3.744) 8.107 3.561 ( 4.849 -0.000 -7.398) 8.845 3.863 ( 5.553 -0.000 5.392) 7.740 3.911 ( 1.155 -0.000 0.297) 1.193 4.302 ( 7.030 -0.000 2.860) 7.589 4.832 ( -2.054 0.000 4.648) 5.082 4.835 ( 1.420 -0.000 0.834) 1.647 5.511 ( 1.190 -0.000 -0.352) 1.241 5.983 ( -4.469 0.000 -3.132) 5.457 6.238 ( -3.675 0.000 -0.289) 3.686 6.440 ( -7.405 0.000 -0.814) 7.449 6.903 ( -2.597 0.000 -13.413) 13.662 8.637 ( -0.710 0.000 1.991) 2.114 9.371 ( 4.789 -0.000 -4.633) 6.663 9.560 ( -1.202 0.000 3.303) 3.514 9.723 ( -3.923 0.000 9.962) 10.707 10.182 ( -1.607 0.000 1.933) 2.513 10.573 ( 0.898 -0.000 -3.798) 3.903 10.689 ( -0.188 0.000 -0.298) 0.353 10.845 ( 2.080 -0.000 -1.295) 2.450 11.878 ( 0.614 -0.000 1.870) 1.968 11.973 ( 0.022 -0.000 -0.046) 0.051 12.170 ( -0.358 0.000 0.572) 0.675 12.796 ( 1.994 -0.000 -2.252) 3.008 13.419 ( 0.775 -0.000 2.023) 2.166 13.870 ( 0.946 -0.000 -1.674) 1.923 14.286 ( 1.478 -0.000 -0.038) 1.478 14.387 ( -1.555 0.000 -1.640) 2.260 16.837 ( -0.845 0.000 -0.123) 0.854 17.053 ( 0.985 -0.000 -2.057) 2.281 17.322 ( -2.680 0.000 3.637) 4.518 17.541 ( 0.760 -0.000 -0.143) 0.773 17.995 ( -1.478 0.000 1.778) 2.312 18.324 ( -3.869 0.000 1.678) 4.218 23.233 ( -7.503 0.000 8.826) 11.584 23.249 ( 1.556 -0.000 3.480) 3.813 25.372 ( 2.271 -0.000 -2.700) 3.528 25.720 ( -4.282 0.000 0.945) 4.385 28.097 ( -0.314 0.000 0.050) 0.318 28.101 ( 0.912 -0.000 -0.696) 1.147 28.768 ( -1.648 0.000 1.693) 2.363 29.107 ( 1.196 -0.000 -2.427) 2.706 29.204 ( -1.667 0.000 0.997) 1.943 29.731 ( 2.633 -0.000 -1.017) 2.822 30.433 ( -1.640 0.000 1.471) 2.203 31.202 ( -2.045 0.000 1.018) 2.284 31.759 ( 4.872 -0.000 -0.588) 4.907 31.879 ( -2.828 0.000 3.380) 4.407 32.338 ( 0.201 -0.000 3.461) 3.467 32.767 ( 4.727 -0.000 -12.999) 13.832 101.108 ( 0.582 -0.000 -0.492) 0.762 101.275 ( -2.999 0.000 0.868) 3.122 101.345 ( 3.720 -0.000 -3.799) 5.317 102.003 ( -7.086 0.000 0.231) 7.090 ======================= Grid point 95 (44/165) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.474 2.387 2.462) 3.461 1.834 ( 4.105 0.105 -0.111) 4.108 1.962 ( -0.960 0.478 -3.046) 3.229 2.083 ( -2.272 0.743 3.061) 3.884 2.194 ( 0.329 -6.834 5.241) 8.619 2.251 ( 4.809 1.587 0.305) 5.073 2.356 ( 1.208 9.211 -8.661) 12.701 2.567 ( 1.125 -5.613 -2.675) 6.319 2.849 ( -2.257 2.759 0.294) 3.577 3.136 ( 2.183 5.744 -4.692) 7.731 3.277 ( -2.921 1.559 2.581) 4.198 3.378 ( 0.319 2.829 -2.142) 3.563 3.577 ( 1.093 1.633 -0.440) 2.013 3.643 ( 4.761 -5.681 -8.593) 11.348 3.855 ( -2.430 3.965 -3.055) 5.564 3.983 ( 1.787 -5.379 4.550) 7.269 4.311 ( 3.374 6.694 -0.066) 7.496 4.798 ( -0.210 4.745 0.299) 4.759 4.868 ( 0.408 -0.043 7.550) 7.561 5.465 ( -1.932 2.306 -7.646) 8.216 5.941 ( -1.232 -0.468 -1.821) 2.248 6.233 ( -1.290 -2.676 -0.233) 2.980 6.388 ( -4.059 -2.738 -2.381) 5.444 6.756 ( 0.979 7.777 -10.316) 12.956 8.656 ( -1.452 -2.972 0.674) 3.376 9.366 ( 2.293 5.180 -2.135) 6.054 9.557 ( -0.292 -1.758 4.729) 5.053 9.786 ( -3.270 -3.893 7.214) 8.826 10.189 ( -1.854 -2.241 0.830) 3.024 10.495 ( 1.583 7.436 -0.321) 7.610 10.725 ( 1.734 -1.884 0.936) 2.726 10.834 ( 1.841 3.725 -0.039) 4.155 11.886 ( 0.165 1.649 2.221) 2.771 11.973 ( 0.053 0.142 0.242) 0.286 12.237 ( 0.163 -8.157 1.405) 8.278 12.839 ( 1.659 -3.733 -1.576) 4.379 13.422 ( -0.307 0.673 -0.260) 0.784 13.841 ( 0.947 3.515 -1.384) 3.895 14.328 ( 0.435 -3.198 -0.235) 3.236 14.367 ( -0.206 -0.044 -0.824) 0.851 16.845 ( -0.385 -1.995 -0.612) 2.121 17.054 ( 0.927 -0.327 -2.433) 2.624 17.327 ( -2.447 -1.303 3.928) 4.808 17.543 ( 0.305 0.483 -0.023) 0.572 17.968 ( -1.295 2.717 2.376) 3.835 18.320 ( -2.703 -3.098 0.137) 4.113 23.205 ( -5.941 0.403 8.038) 10.003 23.282 ( 0.616 0.225 4.593) 4.640 25.358 ( 1.074 2.138 -2.250) 3.284 25.718 ( -2.326 -4.113 -0.955) 4.821 28.035 ( -0.023 3.841 -0.065) 3.842 28.156 ( 0.402 -2.965 -0.813) 3.100 28.766 ( -1.325 -0.556 1.427) 2.025 29.122 ( 1.800 -0.897 -1.944) 2.797 29.243 ( -0.978 -5.763 1.730) 6.096 29.777 ( 1.567 -3.462 -1.128) 3.964 30.432 ( -0.929 -0.263 2.145) 2.352 31.142 ( -1.614 4.685 0.278) 4.964 31.818 ( 3.136 -3.257 -3.938) 5.996 31.850 ( -3.777 1.251 1.153) 4.143 32.352 ( -1.624 -0.042 4.207) 4.510 32.701 ( 6.998 7.947 -8.772) 13.751 101.113 ( 0.851 0.243 0.428) 0.983 101.247 ( -1.858 0.402 -0.330) 1.929 101.359 ( 3.065 0.108 -4.001) 5.041 101.901 ( -5.152 3.808 -0.984) 6.481 ======================= Grid point 96 (45/165) ======================= q-point: (-0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.513 0.745 0.114) 0.912 1.852 ( 3.975 1.320 -2.842) 5.062 1.935 ( -2.098 -0.237 -4.220) 4.719 1.987 ( -6.991 6.482 -2.049) 9.751 2.167 ( 0.570 4.199 -3.022) 5.205 2.238 ( -1.682 1.383 -0.586) 2.255 2.335 ( -0.262 -2.015 2.582) 3.286 2.695 ( 4.752 -6.281 -0.330) 7.883 2.774 ( -1.508 1.893 1.186) 2.695 3.069 ( 1.387 2.879 -2.766) 4.226 3.230 ( -0.819 2.678 0.689) 2.883 3.324 ( 1.079 5.191 2.128) 5.713 3.480 ( -6.940 4.717 -5.456) 10.009 3.654 ( 1.186 4.624 -8.474) 9.726 3.749 ( 0.111 0.822 -3.846) 3.934 4.138 ( 0.534 -5.273 1.277) 5.451 4.181 ( -1.816 5.887 1.520) 6.346 4.694 ( -0.416 6.791 -0.878) 6.860 4.911 ( 1.026 1.220 7.369) 7.540 5.331 ( -3.236 2.957 -11.816) 12.603 5.945 ( 0.987 -0.487 -0.491) 1.205 6.282 ( 1.163 -3.262 -0.513) 3.501 6.416 ( -1.375 -4.882 -3.885) 6.390 6.589 ( 4.563 9.024 -5.719) 11.617 8.713 ( -1.848 -6.030 0.080) 6.307 9.242 ( -0.000 10.007 1.730) 10.156 9.667 ( -0.130 -8.131 2.403) 8.479 9.814 ( -2.018 1.108 3.676) 4.337 10.225 ( -2.246 -4.351 0.479) 4.920 10.409 ( 2.154 5.903 2.118) 6.631 10.749 ( 0.835 3.775 -1.912) 4.313 10.794 ( 2.874 2.552 5.280) 6.531 11.853 ( -0.382 2.879 1.421) 3.233 11.971 ( -0.081 0.343 0.497) 0.609 12.444 ( 0.931 -14.437 2.029) 14.609 12.916 ( 1.911 -3.581 -0.858) 4.149 13.394 ( -0.741 0.667 -2.768) 2.943 13.754 ( -0.585 6.801 -1.378) 6.963 14.344 ( 2.165 0.966 0.239) 2.383 14.425 ( -1.154 -6.430 -0.224) 6.536 16.883 ( 0.472 -3.134 -1.209) 3.392 17.057 ( 0.997 -0.528 -2.742) 2.965 17.353 ( -2.194 -2.064 4.254) 5.213 17.531 ( -0.270 1.160 0.323) 1.234 17.917 ( -1.473 3.079 2.452) 4.202 18.363 ( -0.527 -4.037 0.005) 4.071 23.184 ( -4.570 0.586 7.161) 8.515 23.304 ( -0.907 0.526 5.649) 5.746 25.315 ( -0.152 2.110 -1.244) 2.454 25.781 ( 0.107 -5.975 -2.962) 6.669 27.979 ( -0.161 2.953 0.210) 2.965 28.193 ( 0.393 -1.731 -1.234) 2.161 28.774 ( -0.947 -1.009 1.064) 1.746 29.146 ( 1.950 -0.567 -1.185) 2.351 29.384 ( 0.445 -10.228 1.952) 10.422 29.851 ( 0.569 -4.625 -1.402) 4.866 30.447 ( -0.527 -0.662 3.153) 3.265 31.048 ( -0.597 4.706 0.021) 4.744 31.743 ( -5.031 4.244 -6.497) 9.249 31.890 ( 3.140 -4.077 -5.160) 7.288 32.329 ( -6.277 2.146 3.698) 7.595 32.602 ( 9.926 9.956 -0.577) 14.070 101.123 ( 1.219 0.358 1.032) 1.636 101.221 ( -0.617 0.475 -1.545) 1.731 101.366 ( 2.066 -0.198 -2.865) 3.538 101.769 ( -3.412 5.602 -1.841) 6.812 ======================= Grid point 97 (46/165) ======================= q-point: (-0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.547 -3.823 2.287) 5.695 1.700 ( 0.200 16.604 -4.595) 17.229 1.845 ( 2.750 3.367 -3.370) 5.501 1.923 ( -8.855 -6.246 -2.742) 11.178 2.145 ( -0.861 0.487 -1.725) 1.988 2.187 ( -2.996 1.176 0.181) 3.224 2.316 ( -1.012 -1.987 -3.884) 4.478 2.731 ( 4.243 2.731 1.277) 5.205 2.921 ( 2.429 -9.315 2.206) 9.876 3.007 ( -3.381 1.513 -4.915) 6.155 3.100 ( -4.062 12.011 1.663) 12.788 3.264 ( 1.444 0.936 -0.933) 1.958 3.345 ( -0.599 2.392 -0.365) 2.493 3.520 ( -1.910 7.157 -0.669) 7.437 3.730 ( 2.720 1.942 -3.677) 4.969 3.950 ( -4.547 10.882 -2.090) 11.977 4.318 ( -1.175 -9.151 0.107) 9.227 4.580 ( 0.878 6.415 -0.832) 6.528 4.927 ( 0.855 1.779 4.097) 4.548 5.205 ( -1.747 1.187 -9.382) 9.617 5.965 ( 2.195 -0.332 0.063) 2.221 6.330 ( -1.371 0.489 -1.147) 1.853 6.370 ( 0.685 1.744 -3.822) 4.256 6.607 ( 5.341 -4.389 -1.363) 7.046 8.813 ( -1.952 -8.568 0.248) 8.791 9.083 ( -0.357 10.763 3.037) 11.189 9.760 ( 0.176 4.533 2.037) 4.972 9.817 ( -1.942 -8.982 0.426) 9.200 10.280 ( -1.943 -4.291 0.761) 4.771 10.361 ( 2.051 4.843 2.027) 5.636 10.666 ( 0.075 3.723 -1.939) 4.199 10.819 ( 1.811 2.378 5.205) 6.002 11.821 ( -0.326 1.203 1.058) 1.635 11.965 ( -0.405 0.361 0.230) 0.589 12.715 ( 1.215 -15.735 1.037) 15.816 12.959 ( 2.425 1.458 -0.964) 2.989 13.367 ( -0.533 -0.999 -4.194) 4.344 13.599 ( -2.484 8.673 -1.172) 9.097 14.369 ( 4.287 1.275 1.961) 4.884 14.510 ( -2.966 -6.714 -1.255) 7.447 16.934 ( 1.188 -2.729 -1.743) 3.450 17.061 ( 1.154 -0.513 -2.910) 3.172 17.390 ( -1.735 -2.049 4.327) 5.092 17.504 ( -0.738 1.766 0.625) 2.013 17.876 ( -1.368 1.627 2.566) 3.332 18.432 ( 1.203 -3.365 1.211) 3.773 23.169 ( -3.199 0.625 6.082) 6.900 23.309 ( -2.780 0.523 6.674) 7.249 25.282 ( -0.163 0.964 -0.470) 1.085 25.865 ( 0.898 -5.628 -3.902) 6.907 27.942 ( -0.255 1.489 0.413) 1.566 28.208 ( 0.499 -0.608 -1.416) 1.619 28.788 ( -0.733 -1.126 0.815) 1.571 29.168 ( 1.790 -0.357 -1.051) 2.107 29.580 ( 1.691 -10.128 1.679) 10.405 29.905 ( 0.266 -2.064 -1.729) 2.706 30.473 ( -0.652 -0.712 4.049) 4.163 31.008 ( 1.115 -0.270 0.201) 1.165 31.532 ( -6.112 7.987 -10.718) 14.698 31.964 ( 3.157 -4.804 -5.707) 8.100 32.185 ( -5.765 7.572 1.777) 9.682 32.603 ( 7.448 4.511 5.489) 10.293 101.137 ( 1.395 0.526 0.623) 1.616 101.205 ( 0.618 -0.178 -2.485) 2.567 101.384 ( 0.712 -1.210 0.224) 1.422 101.639 ( -1.973 5.105 -1.581) 5.697 ======================= Grid point 98 (47/165) ======================= q-point: (-0.12 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 6.471 17.706 -1.814) 18.938 1.644 ( 6.143 0.549 10.283) 11.991 1.771 ( -6.399 -3.481 -4.860) 8.757 1.914 ( -7.994 -3.944 -1.435) 9.029 2.120 ( 3.727 1.639 -1.784) 4.445 2.142 ( -3.385 -2.350 -1.377) 4.345 2.417 ( 4.205 -7.051 -2.554) 8.598 2.706 ( 1.613 5.640 -2.182) 6.259 2.859 ( -2.435 -0.518 -9.735) 10.048 2.907 ( 0.713 9.604 5.955) 11.323 3.098 ( -0.248 -1.747 4.267) 4.618 3.301 ( 0.753 -0.654 2.586) 2.772 3.340 ( 2.449 0.152 0.295) 2.472 3.420 ( 1.148 1.745 2.754) 3.457 3.687 ( -0.995 6.239 -4.972) 8.039 3.741 ( -0.436 4.549 0.417) 4.589 4.381 ( -1.500 1.376 -0.634) 2.132 4.523 ( 2.408 0.360 -0.564) 2.499 4.942 ( -1.154 -2.951 -0.883) 3.289 5.157 ( 1.320 0.713 -1.742) 2.299 6.035 ( 4.764 -5.073 0.259) 6.965 6.242 ( -4.793 1.393 -0.698) 5.040 6.392 ( 0.216 -1.575 -1.611) 2.263 6.721 ( 2.806 -3.699 -0.816) 4.714 8.921 ( -0.536 6.680 2.616) 7.194 8.954 ( -1.626 -6.678 1.670) 7.073 9.697 ( 2.741 6.056 1.892) 6.912 9.914 ( -4.333 -6.370 -1.155) 7.790 10.301 ( 0.850 4.290 2.067) 4.838 10.327 ( 0.182 -1.254 -0.248) 1.292 10.638 ( -0.870 -2.258 -1.556) 2.877 10.809 ( 0.212 2.378 1.836) 3.012 11.819 ( -0.305 -0.486 0.929) 1.092 11.953 ( -0.553 0.265 -0.512) 0.799 12.878 ( 1.315 8.425 -2.685) 8.940 12.967 ( 0.722 -11.243 -1.675) 11.390 13.381 ( 0.726 -3.832 -3.347) 5.139 13.442 ( -2.005 6.479 0.265) 6.787 14.399 ( 4.265 2.818 2.952) 5.903 14.555 ( -4.391 -4.797 -2.350) 6.915 16.967 ( 1.069 -0.910 -1.989) 2.434 17.064 ( 1.296 -0.200 -2.988) 3.263 17.424 ( -1.352 -0.732 4.106) 4.385 17.472 ( -0.628 1.099 0.691) 1.442 17.867 ( -1.271 -0.330 3.114) 3.380 18.499 ( 0.834 -1.873 2.115) 2.946 23.164 ( -1.714 0.546 4.755) 5.084 23.305 ( -4.917 -0.159 7.917) 9.322 25.274 ( 0.300 0.048 0.129) 0.330 25.926 ( 0.118 -3.454 -3.860) 5.181 27.930 ( -0.344 -0.103 0.426) 0.557 28.210 ( 0.739 0.210 -1.265) 1.480 28.801 ( -0.808 -0.787 0.863) 1.420 29.181 ( 1.269 -0.069 -1.579) 2.027 29.716 ( 0.299 -3.070 -1.100) 3.275 29.903 ( 1.394 1.940 -1.181) 2.665 30.494 ( -1.483 -0.380 3.705) 4.009 31.099 ( 4.133 -6.999 1.089) 8.201 31.273 ( -6.326 7.443 -7.924) 12.578 32.017 ( -7.970 1.633 5.852) 10.022 32.064 ( 8.391 -0.298 -8.414) 11.887 32.640 ( 3.626 1.765 3.387) 5.266 101.136 ( 0.868 0.692 -1.563) 1.917 101.217 ( 1.938 -1.092 -2.494) 3.342 101.406 ( -3.021 -0.538 2.937) 4.247 101.588 ( 1.755 -1.057 1.816) 2.738 ======================= Grid point 103 (48/165) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -4.018 0.000 2.083) 4.526 1.833 ( -3.076 0.000 -1.675) 3.503 1.960 ( 1.321 -0.000 -2.431) 2.766 2.083 ( -5.375 0.000 -2.196) 5.806 2.084 ( -4.981 0.000 3.983) 6.378 2.330 ( 3.108 -0.000 2.059) 3.728 2.463 ( 7.782 -0.000 -6.991) 10.461 2.492 ( 0.216 -0.000 -1.376) 1.393 2.861 ( -0.600 0.000 0.569) 0.826 3.216 ( 4.580 -0.000 -5.474) 7.138 3.276 ( -2.460 0.000 3.620) 4.377 3.377 ( 0.690 -0.000 -5.190) 5.235 3.540 ( -7.108 0.000 -6.077) 9.352 3.561 ( 2.458 -0.000 -7.367) 7.766 3.828 ( -3.819 0.000 -7.825) 8.707 3.981 ( -0.545 0.000 5.806) 5.832 4.385 ( -0.828 0.000 2.387) 2.527 4.850 ( -1.188 0.000 0.134) 1.196 4.896 ( -0.247 0.000 6.503) 6.508 5.385 ( -4.672 0.000 -13.570) 14.352 5.935 ( 2.634 -0.000 -1.142) 2.871 6.203 ( 0.557 -0.000 0.283) 0.625 6.319 ( -0.972 0.000 -3.535) 3.667 6.798 ( 7.003 -0.000 -12.014) 13.906 8.611 ( -2.139 0.000 -0.705) 2.252 9.419 ( 3.740 -0.000 -3.614) 5.201 9.580 ( -1.821 0.000 5.419) 5.717 9.752 ( -4.771 0.000 11.708) 12.642 10.152 ( -1.936 0.000 0.056) 1.937 10.617 ( 4.541 -0.000 1.287) 4.720 10.710 ( 1.245 -0.000 1.441) 1.904 10.895 ( 1.876 -0.000 2.595) 3.202 11.919 ( 0.091 -0.000 3.307) 3.309 11.974 ( 0.034 -0.000 0.017) 0.038 12.180 ( 0.025 -0.000 2.158) 2.158 12.818 ( 1.693 -0.000 -0.982) 1.958 13.411 ( -2.262 0.000 -0.827) 2.408 13.870 ( 0.876 -0.000 -1.697) 1.910 14.298 ( -0.039 0.000 -0.806) 0.807 14.373 ( 1.437 -0.000 -0.456) 1.508 16.820 ( -0.290 0.000 -0.608) 0.673 17.046 ( 0.709 -0.000 -2.447) 2.548 17.315 ( -1.893 0.000 4.096) 4.512 17.548 ( 0.047 -0.000 -0.161) 0.168 18.000 ( -0.440 0.000 2.693) 2.728 18.257 ( -2.646 0.000 -1.327) 2.960 23.195 ( -4.994 0.000 7.980) 9.413 23.314 ( -0.672 0.000 5.761) 5.800 25.378 ( 1.291 -0.000 -3.093) 3.351 25.649 ( -1.713 0.000 -1.526) 2.295 28.085 ( -0.397 0.000 -0.715) 0.818 28.111 ( 0.544 -0.000 -0.318) 0.630 28.756 ( -1.088 0.000 1.277) 1.678 29.128 ( 2.636 -0.000 -1.303) 2.941 29.199 ( -0.757 0.000 2.612) 2.719 29.753 ( 0.510 -0.000 -1.196) 1.300 30.437 ( -0.283 0.000 2.674) 2.688 31.167 ( -1.275 0.000 -0.566) 1.395 31.770 ( -1.539 0.000 -4.735) 4.979 31.830 ( -2.481 0.000 -0.448) 2.521 32.352 ( -2.088 0.000 2.516) 3.270 32.814 ( 9.198 -0.000 -5.745) 10.844 101.130 ( 1.095 -0.000 0.941) 1.444 101.232 ( -1.049 0.000 -0.328) 1.099 101.364 ( 2.442 -0.000 -5.033) 5.594 101.871 ( -3.572 0.000 -3.473) 4.982 ======================= Grid point 104 (49/165) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -6.314 -0.002 -1.568) 6.505 1.761 ( -10.278 -2.257 -3.660) 11.141 1.945 ( 1.158 2.130 -1.151) 2.684 2.013 ( -2.153 1.933 -0.357) 2.915 2.078 ( -6.008 -3.482 0.883) 7.000 2.309 ( 0.639 5.604 -1.037) 5.735 2.425 ( 4.248 4.980 -3.236) 7.302 2.593 ( 2.875 -7.652 -0.673) 8.201 2.842 ( 1.165 2.949 1.078) 3.349 3.154 ( 2.332 6.922 -4.910) 8.801 3.254 ( -1.877 2.250 0.869) 3.056 3.342 ( -9.518 -0.917 -7.856) 12.376 3.383 ( -4.381 0.976 -5.533) 7.124 3.615 ( 1.780 -5.424 -10.044) 11.553 3.722 ( -1.913 1.573 -6.049) 6.536 4.034 ( -2.500 -5.061 5.249) 7.709 4.317 ( -4.487 8.117 6.123) 11.113 4.770 ( -2.743 4.741 -2.411) 5.984 4.944 ( -0.613 -2.135 4.216) 4.765 5.237 ( -4.787 1.340 -15.292) 16.079 5.974 ( 5.058 0.529 -0.050) 5.086 6.247 ( 2.263 -2.676 0.244) 3.513 6.334 ( 2.997 -3.359 -4.408) 6.300 6.761 ( 10.504 8.100 -12.176) 18.006 8.609 ( -2.402 -3.460 -1.131) 4.361 9.390 ( 1.895 6.086 -1.707) 6.599 9.591 ( -2.357 -2.137 6.276) 7.037 9.800 ( -3.687 -2.616 8.708) 9.812 10.150 ( -1.811 -2.066 0.211) 2.755 10.580 ( 3.963 8.238 3.477) 9.780 10.773 ( 1.061 -1.143 0.124) 1.565 10.912 ( 3.236 3.071 5.787) 7.307 11.907 ( -0.463 2.899 1.705) 3.395 11.976 ( -0.038 0.043 0.250) 0.256 12.273 ( 0.390 -8.962 3.793) 9.740 12.869 ( 2.235 -4.203 -0.546) 4.792 13.369 ( -3.210 0.306 -2.188) 3.897 13.833 ( 0.112 4.435 -1.865) 4.812 14.316 ( -1.214 -3.406 -1.208) 3.813 14.395 ( 3.268 0.026 0.443) 3.298 16.836 ( 0.425 -2.402 -0.868) 2.589 17.043 ( 0.686 -0.400 -2.356) 2.487 17.332 ( -1.387 -1.170 4.517) 4.868 17.542 ( -0.399 0.520 -0.014) 0.656 17.974 ( -0.855 3.795 2.278) 4.508 18.271 ( -1.113 -5.239 -1.813) 5.655 23.188 ( -3.985 0.390 7.795) 8.763 23.329 ( -2.433 0.420 6.631) 7.075 25.347 ( 0.413 2.504 -2.224) 3.374 25.675 ( 0.663 -4.955 -3.165) 5.917 28.031 ( -0.173 3.551 -0.246) 3.564 28.153 ( 0.183 -2.732 -0.861) 2.871 28.757 ( -0.703 -0.569 1.015) 1.360 29.159 ( 2.807 -0.389 -0.755) 2.933 29.262 ( 0.218 -6.542 3.059) 7.225 29.774 ( -0.637 -3.417 -1.467) 3.773 30.456 ( 0.112 -0.290 3.491) 3.505 31.117 ( -0.428 3.981 -0.661) 4.058 31.703 ( -4.161 1.683 -7.550) 8.784 31.818 ( -0.931 -2.550 -2.283) 3.547 32.325 ( -3.725 1.467 2.024) 4.486 32.837 ( 9.727 6.423 -2.100) 11.844 101.146 ( 1.340 0.062 0.506) 1.434 101.220 ( -0.029 0.683 -0.275) 0.737 101.359 ( 1.323 -0.408 -4.364) 4.578 101.790 ( -1.959 3.121 -5.766) 6.843 ======================= Grid point 105 (50/165) ======================= q-point: (-0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -6.191 -6.473 -2.765) 9.374 1.672 ( -13.700 -6.185 -4.687) 15.745 1.893 ( 0.416 6.060 2.974) 6.763 1.945 ( 1.826 5.990 -2.779) 6.852 2.094 ( -3.304 -4.256 -0.543) 5.415 2.186 ( -0.832 6.416 -2.255) 6.852 2.368 ( 4.842 4.367 -2.786) 7.091 2.749 ( -2.259 -5.047 1.536) 5.739 2.849 ( 6.219 -3.081 -0.284) 6.946 2.945 ( -13.459 3.787 -11.952) 18.394 3.158 ( -2.138 3.799 -1.007) 4.474 3.271 ( -1.195 -1.188 0.041) 1.686 3.340 ( 0.260 1.172 -4.308) 4.472 3.570 ( -2.000 1.914 -4.572) 5.345 3.724 ( 0.500 -2.243 -4.647) 5.184 4.098 ( -7.205 12.350 5.790) 15.425 4.158 ( -2.159 -8.001 2.809) 8.750 4.650 ( -2.279 3.667 -4.002) 5.887 4.982 ( 0.588 1.446 1.996) 2.534 5.101 ( -3.407 -1.657 -12.330) 12.899 6.011 ( 5.126 1.680 0.154) 5.397 6.313 ( 2.222 -2.327 -0.786) 3.312 6.413 ( 6.184 0.319 -4.623) 7.728 6.644 ( 5.864 6.684 -8.680) 12.426 8.662 ( -2.379 -6.825 -0.608) 7.253 9.264 ( 0.289 9.911 1.340) 10.005 9.665 ( -3.334 -6.157 4.030) 8.078 9.827 ( -0.970 0.619 4.328) 4.478 10.185 ( -1.821 -4.307 0.796) 4.743 10.512 ( 3.403 7.630 4.484) 9.481 10.737 ( 0.256 4.654 -1.230) 4.821 10.929 ( 2.499 4.213 6.568) 8.194 11.856 ( -0.531 2.858 1.048) 3.090 11.971 ( -0.223 0.556 0.117) 0.611 12.494 ( 0.608 -14.044 3.552) 14.499 12.977 ( 4.645 -3.592 -0.608) 5.904 13.321 ( -2.646 -0.580 -2.664) 3.800 13.706 ( -1.529 8.430 -2.007) 8.799 14.359 ( -2.959 -5.473 -1.837) 6.487 14.448 ( 5.074 -0.075 1.669) 5.342 16.892 ( 1.698 -3.415 -1.220) 4.004 17.047 ( 0.833 -0.631 -2.265) 2.494 17.371 ( -0.920 -1.755 4.983) 5.363 17.522 ( -0.866 1.172 0.308) 1.490 17.911 ( -1.409 3.175 1.699) 3.866 18.359 ( 0.219 -6.411 -1.280) 6.541 23.185 ( -2.859 0.676 7.312) 7.880 23.322 ( -4.181 0.735 7.034) 8.216 25.304 ( 0.442 1.840 -0.850) 2.075 25.765 ( 2.414 -5.973 -3.969) 7.567 27.977 ( -0.175 2.799 0.159) 2.808 28.185 ( 0.236 -1.767 -1.224) 2.163 28.769 ( -0.341 -0.928 0.800) 1.272 29.184 ( 2.174 0.180 -0.513) 2.241 29.442 ( 2.463 -10.958 3.034) 11.634 29.825 ( -1.340 -5.042 -1.940) 5.566 30.485 ( 0.034 -0.393 4.444) 4.461 31.050 ( 1.043 3.346 -0.241) 3.513 31.538 ( -4.560 6.659 -9.597) 12.540 31.858 ( -1.148 -5.259 -3.390) 6.361 32.239 ( -4.057 4.541 0.572) 6.116 32.808 ( 7.367 7.780 1.169) 10.778 101.162 ( 1.636 0.106 -0.263) 1.660 101.202 ( 0.673 1.025 -2.004) 2.349 101.364 ( -0.074 -1.343 -0.825) 1.578 101.672 ( -1.671 4.205 -6.509) 7.927 ======================= Grid point 106 (51/165) ======================= q-point: (-0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.958 -12.921 -0.270) 14.678 1.629 ( -10.328 -7.169 -3.953) 13.179 1.756 ( 3.908 13.001 -3.268) 13.964 1.877 ( 1.986 2.941 6.119) 7.073 2.073 ( -1.743 0.173 -2.927) 3.411 2.171 ( 2.387 -1.682 1.029) 3.096 2.389 ( 6.273 -1.136 -1.826) 6.632 2.688 ( -12.518 -3.732 -10.475) 16.744 2.771 ( -1.015 1.604 -1.243) 2.269 2.973 ( 3.121 -0.587 -5.259) 6.144 3.100 ( -0.877 1.468 3.906) 4.264 3.306 ( -0.897 -2.248 -2.129) 3.223 3.332 ( 3.127 -2.163 1.919) 4.259 3.501 ( -1.560 2.411 0.664) 2.947 3.711 ( -2.124 1.193 -2.448) 3.454 3.841 ( -5.169 10.013 4.535) 12.147 4.296 ( -0.530 -7.520 0.721) 7.573 4.571 ( -1.097 1.337 -2.963) 3.431 4.903 ( -0.423 3.781 -6.692) 7.698 5.118 ( -0.030 -5.048 -2.304) 5.549 6.040 ( 4.771 0.574 -0.737) 4.862 6.293 ( 0.835 9.844 -4.120) 10.704 6.370 ( 1.023 -1.370 -0.710) 1.851 6.673 ( 2.976 -4.665 -3.424) 6.507 8.768 ( -2.361 -9.307 0.321) 9.607 9.108 ( -0.171 10.346 2.398) 10.621 9.740 ( -4.941 -5.940 2.107) 8.009 9.827 ( 2.830 2.082 1.522) 3.829 10.253 ( -1.524 -5.157 1.120) 5.493 10.445 ( 2.106 7.569 4.123) 8.873 10.654 ( 0.721 4.309 -1.540) 4.632 10.886 ( -0.337 5.529 3.307) 6.451 11.828 ( -0.075 1.069 1.160) 1.579 11.956 ( -0.206 0.812 -0.291) 0.887 12.747 ( 0.318 -13.822 1.464) 13.903 13.023 ( 5.139 4.426 -2.792) 7.334 13.321 ( -0.326 -2.683 -0.658) 2.782 13.537 ( -1.525 7.953 -1.087) 8.171 14.401 ( -4.309 -5.683 -2.612) 7.595 14.508 ( 5.319 1.443 2.492) 6.048 16.953 ( 2.259 -1.962 -1.430) 3.317 17.054 ( 1.070 -0.565 -2.459) 2.740 17.418 ( -0.697 -1.532 5.004) 5.280 17.491 ( -1.058 1.599 0.720) 2.048 17.871 ( -1.565 0.972 2.086) 2.784 18.447 ( -0.593 -4.931 -1.197) 5.109 23.187 ( -1.638 0.776 6.260) 6.517 23.298 ( -5.541 0.652 7.176) 9.090 25.289 ( 0.697 0.768 0.480) 1.143 25.859 ( 3.138 -4.118 -3.724) 6.378 27.941 ( -0.198 1.525 0.360) 1.580 28.203 ( 0.454 -0.940 -1.283) 1.654 28.786 ( -0.166 -0.844 0.822) 1.190 29.192 ( 1.396 0.594 -1.071) 1.857 29.653 ( 3.342 -7.326 1.539) 8.198 29.876 ( -0.970 -3.995 -2.066) 4.601 30.507 ( -0.953 0.642 4.424) 4.571 31.068 ( 4.362 -3.218 1.087) 5.528 31.305 ( -4.361 8.991 -7.884) 12.729 31.911 ( -3.582 -5.351 -1.494) 6.610 32.134 ( 0.556 4.014 -2.595) 4.811 32.753 ( 2.071 6.351 1.523) 6.851 101.153 ( 0.476 1.712 -1.951) 2.639 101.204 ( 2.320 -1.248 -3.223) 4.163 101.378 ( -2.606 -0.782 2.141) 3.463 101.582 ( -0.863 0.208 -3.273) 3.391 ======================= Grid point 112 (52/165) ======================= q-point: (-0.38 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -13.090 0.000 -3.567) 13.567 1.565 ( -17.031 0.000 -5.887) 18.020 1.979 ( 2.369 -0.000 -2.190) 3.226 1.999 ( -1.436 0.000 4.400) 4.628 2.027 ( -2.909 0.000 1.564) 3.303 2.352 ( -3.160 0.000 1.286) 3.411 2.496 ( 1.398 -0.000 -0.015) 1.398 2.536 ( 6.055 -0.000 -6.618) 8.970 2.889 ( 0.975 -0.000 2.306) 2.503 3.017 ( -26.498 0.000 -16.980) 31.471 3.246 ( 0.358 -0.000 -4.077) 4.092 3.287 ( -0.121 0.000 2.469) 2.472 3.373 ( 5.422 -0.000 -7.123) 8.952 3.482 ( -1.092 0.000 -10.149) 10.207 3.681 ( -1.622 0.000 -7.065) 7.248 3.979 ( -5.354 0.000 6.416) 8.356 4.389 ( -5.607 0.000 11.292) 12.607 4.714 ( -7.536 0.000 -12.198) 14.338 4.906 ( -1.610 0.000 -0.543) 1.699 5.145 ( -2.051 0.000 -8.554) 8.796 6.060 ( 8.339 -0.000 0.903) 8.388 6.259 ( 3.754 -0.000 0.507) 3.788 6.322 ( 5.607 -0.000 -5.280) 7.702 6.903 ( 16.661 -0.000 -17.911) 24.462 8.545 ( -2.607 0.000 -1.425) 2.971 9.442 ( 2.393 -0.000 -4.122) 4.766 9.598 ( -2.706 0.000 6.525) 7.064 9.788 ( -5.054 0.000 13.977) 14.863 10.123 ( -1.155 0.000 1.171) 1.644 10.728 ( -0.728 0.000 0.249) 0.769 10.771 ( 5.829 -0.000 5.242) 7.840 11.010 ( 3.888 -0.000 6.473) 7.551 11.940 ( -0.616 0.000 1.224) 1.370 11.976 ( 0.181 -0.000 0.054) 0.189 12.222 ( 0.041 -0.000 4.972) 4.972 12.840 ( 1.215 -0.000 -0.885) 1.503 13.313 ( -4.993 0.000 -1.872) 5.332 13.869 ( 0.900 -0.000 -1.832) 2.041 14.267 ( -1.318 0.000 -1.977) 2.376 14.434 ( 3.897 -0.000 0.568) 3.938 16.814 ( 0.444 -0.000 -0.769) 0.889 17.035 ( 0.653 -0.000 -1.780) 1.896 17.338 ( -0.774 0.000 5.302) 5.358 17.540 ( -0.722 0.000 -0.096) 0.728 18.030 ( 0.029 -0.000 2.999) 2.999 18.177 ( -1.972 0.000 -4.511) 4.924 23.198 ( -3.444 0.000 8.922) 9.564 23.336 ( -4.268 0.000 7.237) 8.402 25.361 ( 0.002 -0.000 -2.147) 2.147 25.626 ( 2.469 -0.000 -3.788) 4.522 28.068 ( -0.179 0.000 -1.102) 1.117 28.116 ( 0.039 -0.000 0.016) 0.042 28.753 ( -0.254 0.000 0.961) 0.994 29.182 ( 3.157 -0.000 -0.777) 3.252 29.226 ( -0.153 0.000 3.726) 3.729 29.722 ( -1.929 0.000 -1.779) 2.624 30.477 ( 0.487 -0.000 3.970) 4.000 31.145 ( 0.212 -0.000 -0.919) 0.943 31.636 ( -3.528 0.000 -6.415) 7.321 31.767 ( -1.577 0.000 -4.067) 4.362 32.308 ( -3.908 0.000 1.237) 4.099 32.982 ( 9.492 -0.000 -2.050) 9.711 101.157 ( 1.479 -0.000 -1.698) 2.252 101.239 ( 0.521 -0.000 2.914) 2.960 101.336 ( 0.644 -0.000 -5.478) 5.515 101.760 ( -0.232 0.000 -10.297) 10.299 ======================= Grid point 113 (53/165) ======================= q-point: (-0.25 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -14.512 -5.043 -3.285) 15.710 1.367 ( -19.222 -5.172 -7.149) 21.150 1.977 ( 0.015 2.425 0.970) 2.611 2.013 ( -0.623 -0.519 1.620) 1.812 2.021 ( 0.178 -0.473 2.832) 2.876 2.272 ( -2.452 5.341 0.462) 5.895 2.466 ( 5.096 3.135 -4.041) 7.220 2.576 ( -25.285 -1.464 -12.783) 28.371 2.689 ( -2.617 -6.598 -2.124) 7.409 2.900 ( 1.884 0.281 0.707) 2.032 3.201 ( -0.328 1.431 -4.356) 4.597 3.264 ( 0.491 3.122 -0.724) 3.242 3.333 ( 0.718 1.270 -6.304) 6.471 3.487 ( -2.617 -3.304 -9.157) 10.081 3.652 ( -0.926 -2.642 -2.457) 3.725 4.015 ( -3.583 -6.804 4.581) 8.951 4.265 ( -8.766 12.056 7.457) 16.667 4.578 ( -5.736 -2.075 -11.963) 13.429 4.918 ( -1.640 -4.860 -3.709) 6.330 5.075 ( 0.079 3.837 -2.927) 4.827 6.130 ( 8.388 3.244 0.936) 9.042 6.308 ( 3.402 -1.047 -0.702) 3.628 6.421 ( 8.467 -5.347 -3.778) 10.703 6.851 ( 12.847 13.810 -20.277) 27.694 8.542 ( -2.605 -3.907 -0.735) 4.753 9.403 ( 1.737 5.263 -3.134) 6.367 9.601 ( -3.852 -0.695 7.696) 8.634 9.829 ( -3.464 -1.199 10.288) 10.922 10.130 ( -0.988 -1.322 1.577) 2.283 10.679 ( 0.736 4.807 2.550) 5.492 10.819 ( 2.797 4.711 3.241) 6.366 11.065 ( 3.498 3.339 6.318) 7.956 11.905 ( -0.790 3.065 0.640) 3.230 11.977 ( 0.115 0.282 0.021) 0.305 12.328 ( -0.132 -8.951 4.807) 10.161 12.926 ( 4.298 -7.875 -1.363) 9.074 13.256 ( -4.839 -1.107 -1.075) 5.079 13.813 ( 0.169 6.437 -2.000) 6.742 14.256 ( -2.140 -2.213 -2.401) 3.903 14.496 ( 4.777 -1.421 1.101) 5.103 16.847 ( 1.584 -3.356 -0.958) 3.833 17.037 ( 0.813 -0.333 -1.309) 1.577 17.373 ( -0.368 -0.912 6.595) 6.668 17.526 ( -1.069 0.463 0.131) 1.173 17.971 ( -1.237 5.253 0.764) 5.451 18.224 ( -0.847 -7.894 -3.376) 8.627 23.214 ( -2.729 0.679 10.362) 10.737 23.319 ( -5.760 0.430 7.216) 9.243 25.332 ( -0.133 1.618 -0.663) 1.754 25.687 ( 4.606 -5.120 -4.223) 8.079 28.025 ( -0.056 3.118 -0.322) 3.135 28.145 ( -0.048 -2.444 -0.681) 2.538 28.762 ( 0.222 -0.452 0.900) 1.031 29.209 ( 2.098 0.235 -0.399) 2.148 29.321 ( 2.040 -8.681 3.433) 9.555 29.716 ( -2.790 -3.714 -2.183) 5.133 30.509 ( 0.436 -0.217 4.615) 4.641 31.117 ( 1.202 3.301 -0.481) 3.546 31.538 ( -2.850 3.803 -7.177) 8.608 31.749 ( -1.547 -3.309 -5.408) 6.527 32.251 ( -4.342 2.088 0.373) 4.832 33.007 ( 6.934 6.882 -1.143) 9.836 101.165 ( 1.959 -0.548 -3.048) 3.665 101.238 ( 0.565 2.620 0.429) 2.715 101.331 ( -0.179 -1.813 -1.406) 2.301 101.664 ( -0.764 2.965 -13.123) 13.476 ======================= Grid point 114 (54/165) ======================= q-point: (-0.12 -0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -11.606 -14.070 2.162) 18.367 1.276 ( -16.262 -11.883 -6.903) 21.291 1.911 ( -0.326 4.283 -4.086) 5.928 2.020 ( 2.927 2.602 4.768) 6.170 2.070 ( 1.538 -1.697 -0.091) 2.292 2.160 ( -2.708 3.527 0.835) 4.524 2.290 ( -19.161 -7.330 -7.045) 21.691 2.495 ( 4.349 -0.963 -1.787) 4.800 2.738 ( -3.734 -0.106 0.459) 3.764 2.984 ( 6.653 -1.942 -4.515) 8.271 3.139 ( -0.552 2.639 -3.502) 4.419 3.242 ( -0.553 -2.012 -3.847) 4.376 3.321 ( 2.368 -3.606 0.385) 4.331 3.448 ( -4.248 -1.805 -2.560) 5.278 3.666 ( -3.158 -1.589 -0.516) 3.573 3.983 ( -8.755 12.305 4.549) 15.772 4.160 ( -0.248 -9.860 2.330) 10.135 4.496 ( -3.448 -0.881 -9.569) 10.210 4.961 ( -0.409 -0.264 -5.180) 5.202 5.007 ( 0.283 -0.731 -0.182) 0.805 6.147 ( 6.978 4.808 -0.562) 8.493 6.361 ( 2.347 -1.369 -0.016) 2.717 6.517 ( 5.664 17.329 -11.759) 21.694 6.598 ( 2.061 -4.294 -6.092) 7.733 8.606 ( -2.571 -7.383 0.381) 7.828 9.282 ( 0.522 9.494 0.273) 9.512 9.626 ( -5.035 -3.189 5.475) 8.093 9.865 ( 0.134 -1.190 3.704) 3.893 10.168 ( -1.025 -3.730 1.336) 4.092 10.625 ( 1.655 6.720 5.162) 8.634 10.738 ( 0.300 6.713 -0.488) 6.737 11.017 ( 0.043 8.097 3.625) 8.872 11.861 ( -0.066 2.084 1.221) 2.416 11.969 ( 0.222 0.851 -0.065) 0.882 12.536 ( -0.179 -13.489 2.738) 13.765 13.086 ( 7.575 -2.735 -6.819) 10.553 13.274 ( -0.248 -4.107 4.491) 6.091 13.661 ( -0.504 9.545 -1.741) 9.716 14.265 ( -2.897 -3.954 -2.380) 5.449 14.580 ( 4.962 -1.029 1.589) 5.311 16.930 ( 3.369 -3.711 -1.721) 5.300 17.045 ( 0.966 -0.354 -1.374) 1.716 17.423 ( -0.532 -0.806 6.810) 6.878 17.505 ( -1.204 0.949 1.171) 1.930 17.892 ( -1.800 2.763 1.019) 3.451 18.320 ( -1.631 -7.226 -3.336) 8.125 23.230 ( -2.032 1.575 10.387) 10.700 23.284 ( -6.446 0.586 6.757) 9.357 25.313 ( -0.045 0.930 1.293) 1.593 25.820 ( 7.263 -5.153 -3.696) 9.642 27.976 ( -0.021 2.670 0.189) 2.677 28.176 ( 0.133 -1.908 -1.089) 2.201 28.781 ( 0.533 -0.651 0.922) 1.248 29.214 ( 1.133 0.860 -0.742) 1.604 29.564 ( 6.248 -11.427 2.553) 13.271 29.755 ( -2.679 -6.134 -2.327) 7.086 30.537 ( -0.451 0.593 4.982) 5.038 31.093 ( 3.401 0.553 0.003) 3.446 31.373 ( -1.977 8.001 -6.397) 10.433 31.771 ( -2.119 -5.349 -6.110) 8.393 32.167 ( -2.521 2.678 -1.057) 3.827 32.899 ( -0.380 9.844 0.214) 9.853 101.177 ( 0.671 2.022 -3.415) 4.024 101.191 ( 1.978 -0.450 -3.936) 4.428 101.351 ( -2.159 -0.823 2.170) 3.170 101.539 ( -2.548 0.665 -8.573) 8.968 ======================= Grid point 121 (55/165) ======================= q-point: (-0.25 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -18.780 0.000 -1.460) 18.837 1.046 ( -23.049 0.000 -7.213) 24.151 1.955 ( -16.797 0.000 -2.918) 17.048 1.970 ( -4.368 0.000 0.379) 4.385 2.061 ( -0.215 0.000 4.867) 4.872 2.147 ( -20.470 0.000 -10.137) 22.843 2.290 ( -2.123 0.000 2.967) 3.648 2.595 ( 4.154 -0.000 -3.317) 5.315 2.605 ( 6.030 -0.000 1.480) 6.209 2.915 ( -0.955 0.000 2.288) 2.480 3.154 ( -2.718 0.000 -5.980) 6.568 3.273 ( -5.415 0.000 -8.740) 10.281 3.316 ( -0.349 0.000 -1.856) 1.889 3.412 ( 5.179 -0.000 -8.857) 10.260 3.607 ( -1.156 0.000 -0.195) 1.172 3.933 ( -3.998 0.000 3.848) 5.549 4.333 ( -7.573 0.000 -19.242) 20.678 4.401 ( -6.764 0.000 14.693) 16.176 4.840 ( -0.324 0.000 -7.467) 7.474 5.104 ( 0.272 -0.000 0.266) 0.380 6.269 ( 8.968 -0.000 1.942) 9.176 6.348 ( 4.037 -0.000 -0.408) 4.057 6.421 ( 8.195 -0.000 -4.730) 9.462 7.013 ( 16.796 -0.000 -31.392) 35.603 8.480 ( -2.618 0.000 0.126) 2.621 9.430 ( 1.322 -0.000 -4.630) 4.815 9.612 ( -2.272 0.000 5.295) 5.762 9.864 ( -3.329 0.000 16.241) 16.578 10.128 ( -0.906 0.000 3.136) 3.264 10.706 ( -1.501 0.000 0.787) 1.694 10.960 ( 5.279 -0.000 6.513) 8.384 11.159 ( 3.389 -0.000 4.386) 5.543 11.927 ( -0.781 0.000 -0.348) 0.855 11.983 ( 0.391 -0.000 0.114) 0.407 12.281 ( -0.455 0.000 5.624) 5.642 12.845 ( 0.921 -0.000 -2.609) 2.767 13.183 ( -5.643 0.000 0.342) 5.654 13.867 ( 0.888 -0.000 -2.036) 2.221 14.209 ( -1.321 0.000 -2.736) 3.038 14.532 ( 4.157 -0.000 0.717) 4.218 16.823 ( 1.132 -0.000 -0.631) 1.296 17.039 ( 0.978 -0.000 -0.598) 1.146 17.411 ( 0.364 -0.000 9.752) 9.759 17.517 ( -1.269 0.000 0.085) 1.272 18.060 ( -0.303 0.000 2.656) 2.673 18.065 ( -2.618 0.000 -6.929) 7.407 23.273 ( -1.743 0.000 17.344) 17.432 23.294 ( -6.772 0.000 6.837) 9.623 25.338 ( -0.885 0.000 0.160) 0.900 25.668 ( 5.389 -0.000 -4.204) 6.834 28.056 ( 0.199 -0.000 -0.920) 0.941 28.113 ( -0.347 0.000 0.061) 0.352 28.769 ( 0.744 -0.000 1.119) 1.344 29.227 ( 1.781 -0.000 -1.145) 2.117 29.272 ( 0.454 -0.000 3.622) 3.651 29.636 ( -3.539 0.000 -2.454) 4.307 30.537 ( 0.331 -0.000 4.706) 4.717 31.164 ( 1.966 -0.000 0.313) 1.990 31.513 ( -1.377 0.000 -5.846) 6.006 31.661 ( -1.799 0.000 -9.164) 9.339 32.220 ( -4.764 0.000 0.093) 4.765 33.140 ( 7.235 -0.000 -2.679) 7.715 101.162 ( 2.194 -0.000 -4.024) 4.583 101.278 ( 0.299 -0.000 -6.544) 6.551 101.300 ( 0.098 -0.000 5.792) 5.793 101.590 ( -0.995 0.000 -20.150) 20.175 ======================= Grid point 122 (56/165) ======================= q-point: (-0.12 -0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -16.163 -12.545 4.451) 20.939 0.856 ( -20.926 -10.281 -3.807) 23.624 1.627 ( -37.445 -11.697 -6.009) 39.687 1.947 ( -2.752 -1.259 0.071) 3.027 2.070 ( 1.229 1.250 -0.523) 1.830 2.089 ( -0.417 -1.620 2.210) 2.771 2.314 ( 1.392 0.247 7.638) 7.768 2.549 ( 6.257 4.212 -3.923) 8.502 2.725 ( -0.716 0.290 2.555) 2.669 2.974 ( 5.265 -5.402 -0.316) 7.550 3.105 ( -1.241 -1.258 -6.816) 7.041 3.163 ( -4.405 -1.889 -6.755) 8.282 3.299 ( 0.743 0.469 -1.957) 2.146 3.406 ( 2.015 -0.157 -2.884) 3.522 3.613 ( -2.345 -0.745 2.347) 3.401 3.982 ( -1.532 -7.053 -5.355) 8.987 4.103 ( -5.091 6.863 1.192) 8.627 4.417 ( -4.807 0.312 1.401) 5.017 4.830 ( -0.979 -5.272 -6.129) 8.144 5.080 ( 0.274 3.546 0.752) 3.635 6.311 ( 6.372 5.921 -0.337) 8.705 6.386 ( 4.635 -0.181 1.154) 4.780 6.522 ( 2.001 -2.619 -6.833) 7.587 6.772 ( 5.124 17.510 -28.042) 33.455 8.489 ( -2.497 -4.006 1.336) 4.906 9.395 ( 1.441 3.481 -4.055) 5.535 9.607 ( -3.086 1.335 6.584) 7.393 9.882 ( -3.232 2.754 11.367) 12.134 10.131 ( -0.935 -0.632 1.577) 1.939 10.693 ( -0.808 0.418 1.544) 1.792 10.912 ( 0.536 11.772 3.243) 12.223 11.166 ( 0.977 6.443 2.150) 6.862 11.899 ( -0.334 1.762 0.900) 2.006 11.985 ( 0.506 0.478 0.074) 0.700 12.356 ( -1.505 -8.261 2.789) 8.848 13.011 ( 7.180 -10.665 -9.161) 15.787 13.207 ( 0.937 -9.361 5.915) 11.113 13.798 ( 0.570 7.592 -1.953) 7.860 14.191 ( -1.083 -1.292 -1.777) 2.449 14.601 ( 3.741 -2.502 0.590) 4.539 16.883 ( 3.246 -5.009 -1.799) 6.234 17.048 ( 1.030 -0.070 -0.679) 1.235 17.468 ( 0.154 1.488 8.040) 8.178 17.512 ( -0.659 -0.173 4.183) 4.238 17.932 ( -2.298 4.368 -0.184) 4.939 18.160 ( -1.846 -7.436 -1.928) 7.901 23.255 ( -6.844 0.246 6.102) 9.172 23.347 ( -0.457 5.163 23.637) 24.199 25.329 ( -0.986 0.480 2.222) 2.478 25.791 ( 9.649 -7.810 -3.240) 12.829 28.024 ( 0.167 2.825 -0.116) 2.832 28.136 ( -0.126 -2.319 -0.639) 2.409 28.788 ( 0.979 -0.219 1.249) 1.602 29.232 ( 0.769 0.539 -0.910) 1.308 29.438 ( 6.695 -14.491 2.370) 16.138 29.621 ( -3.187 -4.297 -2.355) 5.845 30.567 ( -0.312 -0.026 5.071) 5.081 31.154 ( 2.308 3.131 -0.156) 3.892 31.433 ( -0.275 4.389 -6.195) 7.597 31.620 ( -2.288 -4.639 -11.287) 12.416 32.159 ( -3.907 1.231 -0.427) 4.119 33.067 ( -0.798 12.344 -2.106) 12.548 101.173 ( 2.644 -1.128 -4.198) 5.087 101.202 ( -0.369 3.426 -8.530) 9.199 101.334 ( -2.138 -0.046 3.101) 3.767 101.447 ( -3.958 -0.798 -12.440) 13.079 ======================= Grid point 130 (57/165) ======================= q-point: (-0.12 -0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -19.536 0.000 10.624) 22.238 0.549 ( -19.977 0.000 13.852) 24.310 1.039 ( -44.543 0.000 5.611) 44.895 1.898 ( -3.991 0.000 1.715) 4.344 2.067 ( -0.918 0.000 0.481) 1.036 2.120 ( 2.579 -0.000 0.990) 2.762 2.306 ( -1.956 0.000 0.803) 2.114 2.630 ( 1.341 -0.000 -0.947) 1.642 2.842 ( 12.583 -0.000 7.142) 14.468 2.923 ( -1.304 0.000 4.040) 4.245 3.040 ( -1.704 0.000 -4.009) 4.356 3.045 ( -3.556 0.000 -6.305) 7.239 3.314 ( 0.702 -0.000 -1.248) 1.432 3.399 ( 2.681 -0.000 -7.872) 8.316 3.638 ( 0.667 -0.000 6.951) 6.983 3.842 ( -1.424 0.000 -11.658) 11.745 4.138 ( 0.359 -0.000 2.649) 2.673 4.392 ( -8.010 0.000 -4.262) 9.073 4.779 ( 4.909 -0.000 12.738) 13.651 5.113 ( -0.250 0.000 0.683) 0.728 6.412 ( 2.586 -0.000 -2.046) 3.298 6.463 ( 6.783 -0.000 1.656) 6.982 6.524 ( 4.651 -0.000 -2.570) 5.314 6.699 ( -10.532 0.000 -52.456) 53.503 8.444 ( -2.061 0.000 2.766) 3.450 9.404 ( 0.907 -0.000 -4.219) 4.315 9.618 ( -1.068 0.000 2.204) 2.449 10.012 ( 1.377 -0.000 12.570) 12.646 10.134 ( -1.723 0.000 1.084) 2.036 10.682 ( -1.691 0.000 0.648) 1.811 11.104 ( 2.631 -0.000 -2.189) 3.423 11.227 ( 0.979 -0.000 -0.948) 1.363 11.912 ( -0.373 0.000 0.377) 0.531 11.993 ( 0.333 -0.000 -0.034) 0.335 12.307 ( -1.643 0.000 0.668) 1.773 12.821 ( 1.073 -0.000 -5.088) 5.199 13.109 ( -3.765 0.000 4.975) 6.239 13.863 ( 0.992 -0.000 -2.062) 2.289 14.171 ( 0.130 -0.000 -0.201) 0.239 14.608 ( 2.297 -0.000 -0.200) 2.305 16.845 ( 1.276 -0.000 -0.223) 1.296 17.053 ( 0.838 -0.000 -1.254) 1.508 17.492 ( -1.138 0.000 0.296) 1.176 17.590 ( 2.839 -0.000 5.868) 6.519 17.985 ( 2.539 -0.000 13.073) 13.317 18.074 ( -0.917 0.000 2.194) 2.378 23.217 ( -6.318 0.000 5.151) 8.152 23.755 ( 23.090 -0.000 53.578) 58.342 25.339 ( -1.047 0.000 4.856) 4.967 25.746 ( 5.185 -0.000 -2.726) 5.857 28.057 ( 0.485 -0.000 -0.313) 0.577 28.103 ( -0.408 0.000 -0.236) 0.471 28.808 ( 1.287 -0.000 1.966) 2.349 29.231 ( 0.495 -0.000 -2.262) 2.315 29.315 ( -0.012 0.000 2.748) 2.748 29.540 ( -2.379 0.000 -2.169) 3.219 30.586 ( -0.990 0.000 4.729) 4.832 31.223 ( 1.960 -0.000 1.620) 2.543 31.365 ( -5.995 0.000 -21.189) 22.021 31.494 ( -2.310 0.000 -4.182) 4.777 32.126 ( -3.333 0.000 -0.177) 3.338 33.194 ( 1.681 -0.000 -8.795) 8.955 101.151 ( -2.541 0.000 -12.318) 12.578 101.162 ( 2.313 -0.000 -4.615) 5.163 101.305 ( -4.947 0.000 -4.173) 6.472 101.358 ( -1.365 0.000 6.648) 6.787 ======================= Grid point 131 (58/165) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -3.779 0.000 21.844) 22.168 0.934 ( -2.064 0.000 23.353) 23.444 1.759 ( 2.571 -0.000 1.678) 3.070 1.964 ( -5.615 0.000 -5.653) 7.968 1.965 ( 6.728 -0.000 36.621) 37.233 2.037 ( -1.279 0.000 -5.756) 5.896 2.216 ( 0.785 -0.000 0.232) 0.819 2.553 ( -0.000 0.000 -4.704) 4.704 2.882 ( -3.714 0.000 -2.346) 4.393 3.044 ( 10.459 -0.000 -12.648) 16.412 3.046 ( -0.308 0.000 6.319) 6.327 3.098 ( 8.759 -0.000 -3.675) 9.499 3.281 ( 2.938 -0.000 6.924) 7.522 3.319 ( 2.194 -0.000 1.160) 2.482 3.502 ( 2.531 -0.000 -6.990) 7.434 3.691 ( -1.414 0.000 2.703) 3.051 4.250 ( -8.322 0.000 10.713) 13.565 4.585 ( 6.764 -0.000 11.188) 13.074 5.164 ( 1.929 -0.000 5.170) 5.518 5.326 ( -9.492 0.000 -11.310) 14.766 6.250 ( 33.259 -0.000 -1.265) 33.283 6.440 ( -2.582 0.000 -3.891) 4.670 6.517 ( 0.726 -0.000 2.603) 2.702 6.674 ( 4.497 -0.000 2.140) 4.981 8.572 ( -0.995 0.000 6.230) 6.309 9.253 ( 1.399 -0.000 -7.191) 7.326 9.616 ( -1.478 0.000 0.230) 1.496 9.918 ( -5.815 0.000 -0.204) 5.818 10.223 ( -0.131 0.000 3.641) 3.643 10.637 ( -1.163 0.000 -0.463) 1.252 10.868 ( -8.334 0.000 0.043) 8.334 11.027 ( -1.974 0.000 -9.627) 9.827 11.857 ( -1.179 0.000 -1.631) 2.012 11.983 ( -0.275 0.000 -0.463) 0.539 12.252 ( -2.902 0.000 1.876) 3.456 12.683 ( 2.544 -0.000 -5.756) 6.293 13.288 ( -1.083 0.000 8.024) 8.097 13.804 ( 1.827 -0.000 -3.701) 4.127 14.233 ( -1.086 0.000 2.752) 2.958 14.573 ( -0.723 0.000 -2.922) 3.010 16.873 ( 0.594 -0.000 0.308) 0.669 16.995 ( 1.623 -0.000 -2.860) 3.288 17.460 ( -3.319 0.000 0.699) 3.391 17.489 ( -0.311 0.000 0.435) 0.535 18.121 ( -2.541 0.000 3.304) 4.169 18.448 ( 5.044 -0.000 -1.447) 5.247 23.254 ( -6.314 0.000 6.702) 9.208 24.237 ( -15.625 0.000 -8.075) 17.589 25.382 ( -8.616 0.000 3.831) 9.430 25.793 ( 5.001 -0.000 -1.721) 5.289 28.076 ( 0.859 -0.000 0.317) 0.915 28.076 ( -0.204 0.000 -0.879) 0.902 28.863 ( -1.092 0.000 1.797) 2.103 29.135 ( 0.153 -0.000 -3.615) 3.618 29.350 ( -2.383 0.000 1.002) 2.585 29.487 ( 2.992 -0.000 -1.620) 3.402 30.696 ( -6.734 0.000 6.658) 9.470 31.310 ( -1.145 0.000 3.023) 3.232 31.322 ( 13.187 -0.000 -4.017) 13.785 31.514 ( 11.235 -0.000 -0.323) 11.240 32.139 ( 1.960 -0.000 3.091) 3.660 32.908 ( -4.487 0.000 -6.581) 7.966 101.085 ( 1.275 -0.000 -2.581) 2.878 101.212 ( 0.802 -0.000 -2.320) 2.455 101.511 ( -3.992 0.000 6.474) 7.606 102.032 ( 25.761 -0.000 -3.320) 25.974 ======================= Grid point 132 (59/165) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 5.807 2.529 20.117) 21.091 1.245 ( 3.637 -13.181 19.871) 24.121 1.798 ( -0.036 -2.977 -4.150) 5.108 1.908 ( 0.158 -2.328 -4.688) 5.236 1.994 ( -0.250 -0.024 -3.026) 3.036 2.202 ( -1.879 -2.386 1.381) 3.336 2.390 ( 12.652 -6.848 22.357) 26.586 2.540 ( 0.274 -2.005 -2.466) 3.190 2.773 ( -3.432 4.786 1.180) 6.006 2.956 ( 7.950 9.663 -10.363) 16.247 3.082 ( 3.649 3.135 -0.202) 4.815 3.205 ( 7.338 -2.646 -1.605) 7.964 3.348 ( 1.101 -0.766 3.087) 3.366 3.395 ( 2.188 -2.891 6.147) 7.137 3.566 ( 4.130 -6.063 -4.460) 8.585 3.695 ( 0.506 0.190 0.835) 0.995 4.196 ( -5.565 3.701 10.011) 12.036 4.684 ( 3.820 1.387 4.832) 6.314 5.138 ( -8.442 2.951 -3.804) 9.718 5.229 ( 3.624 1.169 7.657) 8.551 6.356 ( 1.960 3.307 -2.749) 4.726 6.426 ( 6.884 5.687 -1.952) 9.140 6.525 ( 8.587 5.821 -4.226) 11.202 6.742 ( 1.369 -1.821 -0.259) 2.293 8.630 ( -0.347 -3.647 5.845) 6.898 9.240 ( 1.701 -1.217 -6.544) 6.870 9.585 ( -2.315 2.189 1.344) 3.459 9.887 ( -2.822 -1.979 2.075) 4.023 10.226 ( -0.170 0.985 3.236) 3.387 10.596 ( -1.563 4.365 -0.297) 4.646 10.762 ( -5.650 1.562 0.505) 5.884 10.907 ( -2.273 4.542 -8.423) 9.836 11.856 ( -0.741 -1.171 -0.634) 1.524 11.967 ( -0.122 1.056 -0.538) 1.192 12.291 ( -2.467 -7.256 0.852) 7.711 12.758 ( 3.460 -7.928 -7.964) 11.758 13.343 ( -0.799 -1.907 5.171) 5.569 13.739 ( 2.220 7.444 -3.209) 8.404 14.257 ( -0.837 -2.642 3.148) 4.194 14.571 ( -2.166 -2.899 -3.119) 4.778 16.890 ( 0.117 -1.367 -0.502) 1.461 16.998 ( 1.934 0.021 -2.703) 3.323 17.439 ( -2.255 -0.398 1.794) 2.909 17.495 ( -0.167 -0.472 0.548) 0.743 18.079 ( -2.728 3.264 4.105) 5.911 18.493 ( 1.685 -1.943 -0.775) 2.686 23.236 ( -4.639 -0.511 6.675) 8.145 23.893 ( -17.825 11.820 5.488) 22.080 25.327 ( -3.743 0.574 1.831) 4.206 25.863 ( 2.123 -3.172 -3.276) 5.029 28.033 ( -0.226 2.748 0.083) 2.758 28.117 ( 1.051 -2.042 -0.788) 2.428 28.858 ( -1.623 0.173 2.073) 2.639 29.129 ( 0.150 -0.896 -3.974) 4.076 29.391 ( -3.191 -7.621 -1.560) 8.408 29.559 ( 4.216 -4.902 -1.323) 6.600 30.645 ( -6.823 0.913 5.255) 8.661 31.275 ( -2.126 3.792 2.250) 4.895 31.390 ( 6.582 2.129 -1.712) 7.126 31.668 ( 15.341 -1.471 -3.849) 15.885 32.188 ( 2.575 0.093 4.793) 5.442 32.780 ( -4.478 4.218 -7.146) 9.429 101.083 ( 1.012 0.072 -2.174) 2.399 101.207 ( 1.493 0.461 -2.574) 3.011 101.497 ( -4.931 0.034 5.298) 7.237 102.085 ( 11.757 12.433 -2.719) 17.326 ======================= Grid point 133 (60/165) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.143 -2.958 11.831) 14.133 1.586 ( 2.557 -11.025 13.443) 17.573 1.785 ( -0.462 -0.232 -2.506) 2.559 1.962 ( 3.343 -1.280 -3.555) 5.045 2.024 ( 2.632 -3.888 0.440) 4.715 2.236 ( -0.592 -2.846 -0.623) 2.973 2.421 ( -1.393 3.171 -8.943) 9.590 2.608 ( 0.963 3.962 -1.061) 4.214 2.835 ( 6.192 4.849 -6.447) 10.170 2.903 ( 8.468 -4.280 14.394) 17.240 3.069 ( 4.991 0.901 0.416) 5.089 3.279 ( 3.604 0.399 -0.193) 3.631 3.361 ( -1.391 0.395 2.599) 2.974 3.484 ( -1.475 -2.354 3.615) 4.559 3.642 ( 4.303 0.666 -2.937) 5.252 3.756 ( 5.602 -2.877 2.778) 6.883 4.163 ( -1.678 -0.094 5.738) 5.979 4.673 ( 1.429 4.544 0.752) 4.822 4.993 ( -6.062 3.511 -2.820) 7.552 5.289 ( 4.739 3.101 6.560) 8.667 6.269 ( -6.659 1.538 -3.426) 7.645 6.382 ( 12.174 14.000 -4.084) 18.997 6.421 ( -2.653 3.460 -0.882) 4.448 6.752 ( -1.007 -0.262 -1.397) 1.742 8.737 ( -0.560 -6.148 5.046) 7.973 9.232 ( 1.363 2.486 -3.348) 4.387 9.551 ( -1.512 -1.463 2.810) 3.510 9.921 ( -0.839 -2.383 0.091) 2.528 10.242 ( 0.382 -0.963 3.108) 3.276 10.468 ( -2.869 6.729 1.739) 7.519 10.722 ( -1.620 -0.131 -0.733) 1.783 10.768 ( -2.062 4.211 -5.705) 7.385 11.856 ( -0.964 0.148 0.444) 1.071 11.947 ( 0.318 1.074 -0.440) 1.203 12.432 ( -1.696 -12.159 -0.619) 12.293 12.877 ( 3.034 -7.116 -8.049) 11.164 13.368 ( -0.800 -0.058 1.656) 1.840 13.608 ( 3.274 9.672 -1.560) 10.330 14.339 ( 0.787 -4.797 3.832) 6.190 14.558 ( -4.020 -1.173 -3.304) 5.334 16.909 ( 0.070 -1.466 -1.318) 1.972 17.004 ( 1.905 0.030 -2.765) 3.358 17.445 ( -1.516 -1.248 2.378) 3.084 17.505 ( -0.014 -0.284 1.056) 1.094 18.024 ( -2.899 2.924 5.297) 6.709 18.526 ( -0.456 -1.590 -1.073) 1.972 23.245 ( -3.250 -1.026 6.926) 7.719 23.627 ( -12.019 6.937 10.453) 17.374 25.298 ( -1.196 0.537 0.490) 1.400 25.884 ( 0.456 -0.474 -3.966) 4.020 27.987 ( -0.537 2.474 0.460) 2.573 28.153 ( 1.432 -1.431 -1.403) 2.463 28.847 ( -1.740 0.331 2.103) 2.749 29.120 ( 0.590 -0.468 -3.734) 3.809 29.484 ( -3.283 -9.150 -2.738) 10.099 29.702 ( 4.201 -7.344 -1.501) 8.592 30.592 ( -5.883 0.393 4.673) 7.524 31.183 ( -2.910 4.859 1.017) 5.754 31.392 ( 7.236 5.977 0.212) 9.388 31.823 ( 12.248 -2.420 -4.917) 13.418 32.213 ( -0.761 3.020 4.781) 5.706 32.637 ( -2.866 2.197 -6.478) 7.417 101.080 ( 0.755 0.060 -1.797) 1.950 101.199 ( 1.982 0.933 -2.961) 3.683 101.464 ( -5.343 0.229 3.515) 6.400 101.950 ( 4.364 12.633 0.939) 13.398 ======================= Grid point 134 (61/165) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 3.046 -3.424 -0.033) 4.583 1.709 ( -6.304 -1.567 0.264) 6.501 1.834 ( 4.809 -1.980 6.767) 8.535 2.016 ( 2.885 -0.888 0.151) 3.023 2.078 ( -4.208 4.975 -4.756) 8.067 2.170 ( 5.253 0.532 0.179) 5.283 2.428 ( 1.138 -3.795 1.742) 4.327 2.578 ( 7.375 1.233 -5.446) 9.250 2.780 ( 3.119 3.495 -3.670) 5.950 2.947 ( 2.125 5.528 0.357) 5.933 3.176 ( 0.227 3.702 -0.215) 3.715 3.316 ( 0.288 -1.345 4.143) 4.366 3.362 ( -2.155 -5.281 4.443) 7.230 3.482 ( -0.274 0.139 -0.748) 0.809 3.659 ( 4.750 2.267 -1.623) 5.508 3.851 ( 4.652 1.774 5.691) 7.562 4.243 ( 1.026 -7.325 -0.952) 7.458 4.599 ( 0.858 5.414 -1.678) 5.733 4.854 ( -3.286 5.559 -1.083) 6.548 5.280 ( 3.104 5.846 0.526) 6.640 6.151 ( -5.436 3.431 -3.721) 7.427 6.194 ( 2.121 8.819 -2.526) 9.416 6.408 ( 1.020 1.127 1.659) 2.250 6.717 ( -1.381 1.243 -3.503) 3.965 8.867 ( -0.871 -7.631 4.042) 8.679 9.128 ( -1.541 8.588 1.262) 8.816 9.655 ( 2.761 -7.754 1.088) 8.302 9.903 ( -2.520 2.328 -1.432) 3.718 10.300 ( 0.856 -2.943 1.811) 3.560 10.396 ( -1.710 1.161 6.145) 6.484 10.635 ( -0.078 4.932 -3.905) 6.292 10.740 ( -1.682 -3.066 -1.543) 3.823 11.842 ( -1.112 0.311 0.867) 1.444 11.938 ( 0.736 0.579 0.016) 0.937 12.622 ( 0.098 -12.686 -2.240) 12.882 12.940 ( 1.532 -1.845 -5.351) 5.864 13.361 ( -0.413 -0.209 -1.359) 1.436 13.506 ( 4.266 7.100 1.350) 8.392 14.455 ( 1.057 -3.626 2.331) 4.438 14.486 ( -3.764 0.657 -2.009) 4.317 16.926 ( 0.639 -1.215 -1.647) 2.144 17.006 ( 1.680 0.157 -2.901) 3.356 17.470 ( -0.928 -1.521 2.346) 2.945 17.517 ( -0.140 -0.296 2.323) 2.346 17.981 ( -3.326 2.155 5.621) 6.877 18.515 ( -1.911 0.448 -2.105) 2.878 23.276 ( -2.377 -1.568 7.381) 7.911 23.503 ( -9.007 2.700 10.869) 14.372 25.294 ( 0.520 -0.236 0.484) 0.749 25.857 ( 0.869 1.290 -4.504) 4.765 27.952 ( -0.594 1.394 0.774) 1.702 28.176 ( 1.432 -0.555 -1.893) 2.438 28.835 ( -1.376 0.451 1.980) 2.453 29.120 ( 1.108 -0.878 -3.288) 3.579 29.581 ( -2.019 -7.829 -2.306) 8.408 29.839 ( 2.835 -5.033 -1.889) 6.078 30.566 ( -4.676 -0.851 4.875) 6.808 31.088 ( -2.946 2.431 -0.416) 3.842 31.360 ( 9.218 8.852 0.553) 12.792 31.943 ( 11.518 0.057 -7.856) 13.943 32.100 ( -8.498 5.214 1.984) 10.166 32.614 ( -0.353 -3.359 -0.747) 3.459 101.078 ( 0.538 0.003 -1.547) 1.638 101.186 ( 2.297 1.248 -3.289) 4.201 101.419 ( -5.002 0.279 1.774) 5.315 101.802 ( 1.077 9.905 1.780) 10.121 ======================= Grid point 135 (62/165) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -0.159 -2.401 -6.201) 6.651 1.579 ( -7.864 7.063 -1.874) 10.735 1.803 ( -6.832 7.709 -6.433) 12.144 1.995 ( 6.701 -4.243 7.496) 10.913 2.084 ( 3.044 0.237 1.053) 3.230 2.306 ( 2.745 -6.868 3.061) 8.005 2.437 ( 4.485 6.164 1.321) 7.736 2.649 ( 3.129 1.936 0.211) 3.685 2.739 ( 2.045 4.666 1.805) 5.405 2.856 ( 0.501 4.914 -1.596) 5.191 3.032 ( -3.168 5.375 -6.330) 8.888 3.292 ( -2.457 1.727 1.303) 3.274 3.441 ( -1.093 -2.002 -2.117) 3.112 3.521 ( -0.301 -1.435 3.340) 3.648 3.631 ( -1.535 1.173 -2.884) 3.471 3.878 ( 2.102 1.401 3.201) 4.078 4.334 ( 2.174 -1.362 -2.688) 3.716 4.482 ( -1.131 6.507 -6.001) 8.924 4.796 ( 1.360 -0.419 4.437) 4.660 5.182 ( 1.569 7.606 -3.424) 8.487 6.031 ( -1.243 2.480 -2.989) 4.078 6.158 ( 1.395 -0.995 -0.007) 1.714 6.409 ( 1.423 1.083 0.780) 1.951 6.655 ( -0.405 1.915 -4.301) 4.726 8.959 ( -2.407 9.334 3.873) 10.388 9.013 ( -0.902 -7.526 2.437) 7.962 9.790 ( -2.039 0.834 -1.545) 2.691 9.833 ( 1.729 -3.176 1.686) 3.990 10.328 ( -1.221 1.483 0.831) 2.093 10.435 ( -2.083 -4.095 3.230) 5.616 10.606 ( 3.243 -1.687 1.057) 3.805 10.780 ( -1.820 -5.235 -1.738) 5.808 11.839 ( -0.938 -0.788 0.940) 1.544 11.945 ( 1.016 -0.130 0.489) 1.135 12.794 ( 2.942 -7.655 -5.227) 9.725 12.910 ( 0.292 3.304 -2.292) 4.032 13.360 ( 0.078 -1.525 -2.056) 2.561 13.487 ( 3.360 2.268 2.581) 4.805 14.358 ( -4.471 3.556 -2.792) 6.358 14.583 ( 3.374 -3.410 2.653) 5.482 16.942 ( 1.552 -0.437 -1.937) 2.521 17.003 ( 1.298 0.087 -2.925) 3.201 17.489 ( -0.542 -0.326 1.467) 1.597 17.544 ( -0.834 -1.433 4.275) 4.585 17.947 ( -3.486 1.265 5.515) 6.646 18.451 ( -2.229 2.873 -2.111) 4.205 23.331 ( -1.948 -2.747 8.323) 8.978 23.447 ( -8.454 0.664 10.555) 13.539 25.321 ( 0.777 -1.284 1.776) 2.325 25.826 ( 3.702 1.606 -5.589) 6.893 27.941 ( -0.465 -0.112 0.993) 1.102 28.180 ( 1.151 0.367 -2.157) 2.472 28.828 ( -0.688 0.400 1.883) 2.044 29.135 ( 1.331 -1.360 -2.925) 3.489 29.660 ( 0.188 -4.230 -2.187) 4.766 29.881 ( 0.726 1.068 -1.825) 2.235 30.573 ( -3.869 -2.019 5.176) 6.770 31.063 ( -1.432 -3.338 -1.380) 3.886 31.314 ( 10.691 10.000 0.249) 14.641 31.830 ( -1.025 9.573 -13.052) 16.219 32.073 ( -0.811 -3.145 2.816) 4.298 32.691 ( -1.370 -5.599 3.227) 6.606 101.074 ( 0.443 0.041 -1.424) 1.492 101.173 ( 2.583 1.287 -3.163) 4.282 101.373 ( -4.005 0.213 0.582) 4.053 101.674 ( -0.676 7.386 2.145) 7.721 ======================= Grid point 136 (63/165) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -11.519 9.336 -1.133) 14.870 1.373 ( -5.138 8.140 2.859) 10.041 1.692 ( 1.127 -4.145 -7.748) 8.859 2.101 ( 3.172 2.487 2.419) 4.701 2.163 ( 4.196 -2.641 3.647) 6.155 2.368 ( 0.219 9.987 5.201) 11.262 2.455 ( -0.310 -1.664 8.478) 8.645 2.508 ( -1.686 7.193 4.884) 8.856 2.617 ( -6.516 4.143 -2.233) 8.038 2.855 ( 5.838 1.872 -6.048) 8.612 2.942 ( 1.747 -0.248 -8.340) 8.525 3.219 ( -2.935 3.548 -2.044) 5.038 3.430 ( -2.992 0.120 -0.087) 2.996 3.474 ( 2.025 6.127 -1.724) 6.679 3.587 ( -6.092 -2.072 -2.250) 6.816 3.909 ( 0.043 -2.264 0.954) 2.457 4.278 ( 1.189 6.919 -4.418) 8.295 4.374 ( 0.641 3.363 1.286) 3.657 4.904 ( 1.922 -5.443 3.876) 6.953 5.064 ( 2.215 6.100 -1.561) 6.675 6.004 ( -2.528 -2.561 -3.611) 5.098 6.226 ( 4.738 -2.919 -0.689) 5.608 6.418 ( 1.985 0.297 0.828) 2.171 6.622 ( 3.447 1.057 -3.199) 4.820 8.794 ( -2.730 9.582 5.136) 11.209 9.149 ( 0.293 -7.537 0.186) 7.545 9.706 ( -5.141 1.695 2.055) 5.790 9.921 ( 2.074 -1.762 0.197) 2.728 10.257 ( -1.610 4.358 1.035) 4.760 10.529 ( -2.395 -9.404 -1.755) 9.861 10.708 ( 2.411 -2.701 4.795) 6.008 10.856 ( -2.097 -8.509 -2.549) 9.127 11.860 ( -0.595 -2.012 0.961) 2.308 11.964 ( 0.880 -0.446 0.361) 1.051 12.747 ( -0.032 10.156 -1.615) 10.283 12.922 ( 4.833 -1.858 -8.333) 9.811 13.405 ( -0.377 -4.303 0.731) 4.381 13.506 ( 1.367 -0.763 -0.761) 1.741 14.263 ( -0.999 2.735 -0.580) 2.969 14.663 ( 2.999 -0.620 0.941) 3.204 16.944 ( 2.267 1.355 -2.366) 3.546 17.001 ( 0.846 -0.483 -2.974) 3.130 17.488 ( -0.897 0.290 1.286) 1.594 17.581 ( -1.916 -1.613 3.585) 4.373 17.937 ( -2.784 -0.695 6.120) 6.759 18.368 ( -0.474 4.287 0.491) 4.341 23.388 ( -7.349 -0.685 8.444) 11.216 23.454 ( -2.798 -5.669 12.208) 13.748 25.362 ( -1.073 -1.816 3.630) 4.198 25.831 ( 8.041 1.124 -6.893) 10.651 27.956 ( -0.287 -1.498 1.035) 1.843 28.166 ( 0.811 1.118 -2.113) 2.524 28.829 ( -0.035 0.205 1.938) 1.949 29.156 ( 1.256 -1.473 -2.865) 3.458 29.681 ( 2.375 1.809 -3.717) 4.767 29.812 ( -0.297 5.708 -1.389) 5.882 30.606 ( -3.646 -3.420 5.506) 7.437 31.142 ( 0.448 -7.249 -1.673) 7.453 31.271 ( 11.245 9.688 -0.075) 14.843 31.588 ( -3.825 7.162 -12.971) 15.303 32.114 ( -0.985 -1.394 1.506) 2.276 32.787 ( -3.312 -6.489 4.329) 8.475 101.071 ( 0.794 0.122 -1.244) 1.481 101.169 ( 3.158 0.919 -1.876) 3.786 101.336 ( -2.193 0.450 0.440) 2.281 101.578 ( -1.580 4.816 3.612) 6.224 ======================= Grid point 137 (64/165) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -15.073 9.131 9.529) 20.034 1.190 ( -7.786 10.492 12.786) 18.281 1.803 ( 5.650 -5.865 -6.427) 10.374 2.020 ( -4.455 22.364 21.664) 31.454 2.128 ( -2.708 3.387 -0.014) 4.336 2.184 ( -2.358 4.096 5.106) 6.957 2.372 ( -6.352 4.587 -6.461) 10.156 2.585 ( 6.410 -2.197 2.821) 7.340 2.640 ( -1.179 -8.661 2.984) 9.236 2.826 ( 1.937 -1.740 -9.657) 10.002 2.932 ( 2.397 -0.995 -6.674) 7.161 3.127 ( 0.930 4.136 -1.600) 4.531 3.354 ( 0.828 6.428 -0.691) 6.517 3.410 ( 0.833 2.806 -3.465) 4.535 3.556 ( -2.433 -1.714 -1.436) 3.304 3.901 ( -2.196 3.309 -5.243) 6.577 4.205 ( -2.131 -1.086 3.089) 3.907 4.366 ( 3.504 2.816 7.318) 8.589 5.006 ( 2.938 -2.299 4.185) 5.607 5.084 ( 6.034 -2.894 3.406) 7.509 5.976 ( -6.208 -2.125 -4.429) 7.916 6.330 ( 6.123 -2.750 -0.360) 6.722 6.458 ( 2.132 -1.612 1.355) 2.996 6.646 ( 6.677 1.639 -3.107) 7.545 8.660 ( -2.432 7.241 6.150) 9.806 9.249 ( 1.933 -4.012 -3.547) 5.693 9.658 ( -5.126 -0.686 2.512) 5.750 9.952 ( -1.817 -2.060 1.761) 3.263 10.191 ( -0.975 2.666 2.006) 3.476 10.628 ( -1.885 -6.289 -4.035) 7.707 10.791 ( -1.710 -5.075 4.086) 6.736 10.968 ( -1.925 -9.234 -3.997) 10.244 11.894 ( -0.664 -1.972 0.820) 2.237 11.976 ( 0.233 -0.245 -0.626) 0.711 12.538 ( -1.907 12.462 -0.485) 12.616 12.901 ( 5.429 4.553 -10.749) 12.875 13.416 ( -1.008 3.841 1.150) 4.135 13.590 ( 1.175 -9.599 -3.809) 10.394 14.239 ( 1.587 1.810 1.828) 3.023 14.673 ( 1.818 2.468 -0.909) 3.197 16.920 ( 2.010 2.739 -2.171) 4.032 17.000 ( 0.734 -0.446 -3.229) 3.341 17.480 ( -1.261 -0.089 0.901) 1.553 17.577 ( -3.535 0.068 0.412) 3.559 17.990 ( -1.560 -4.124 6.605) 7.941 18.333 ( 3.801 3.431 4.789) 7.011 23.344 ( -8.571 0.265 7.912) 11.668 23.688 ( -0.030 -16.214 14.220) 21.566 25.394 ( -3.418 -2.164 4.914) 6.364 25.868 ( 10.041 2.036 -8.177) 13.109 27.991 ( -0.145 -2.327 0.834) 2.477 28.140 ( 0.608 1.572 -1.727) 2.413 28.841 ( 0.214 -0.087 2.081) 2.094 29.173 ( 1.042 -1.029 -3.242) 3.557 29.607 ( 2.147 6.620 -4.217) 8.138 29.688 ( 0.976 8.844 -4.079) 9.788 30.660 ( -4.070 -3.698 6.367) 8.413 31.229 ( 8.517 5.465 -2.592) 10.446 31.257 ( 2.488 -1.794 -0.662) 3.138 31.409 ( -1.638 1.938 -7.334) 7.760 32.119 ( -1.417 -0.237 1.249) 1.904 32.874 ( -4.711 -6.932 2.765) 8.826 101.077 ( 1.551 -0.186 -1.688) 2.300 101.198 ( 3.227 -0.552 -0.213) 3.281 101.344 ( 5.058 -0.144 5.246) 7.289 101.527 ( -2.157 2.190 5.584) 6.374 ======================= Grid point 138 (65/165) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -12.320 -2.254 20.424) 23.959 1.036 ( -7.083 10.721 20.612) 24.289 1.742 ( 0.712 16.304 25.625) 30.380 1.882 ( -0.422 2.265 6.204) 6.618 2.070 ( -2.828 3.876 0.855) 4.873 2.102 ( -5.786 -0.514 -6.914) 9.030 2.228 ( -1.459 2.693 0.294) 3.077 2.600 ( -0.764 1.904 -3.758) 4.282 2.803 ( 3.923 -7.332 -0.403) 8.325 2.923 ( 3.985 -9.230 -6.798) 12.136 2.992 ( 4.333 -4.805 -2.568) 6.961 3.082 ( 4.100 4.730 -0.091) 6.260 3.264 ( 3.089 5.385 -1.018) 6.291 3.351 ( -0.243 3.357 -0.270) 3.377 3.552 ( 1.714 1.660 -4.335) 4.948 3.741 ( -4.371 4.881 -2.142) 6.893 4.245 ( -7.934 -4.256 8.798) 12.589 4.452 ( 7.885 1.541 11.429) 13.971 5.105 ( 0.910 -3.210 2.933) 4.442 5.307 ( 10.619 -9.566 -3.065) 14.618 5.947 ( 5.437 -0.671 3.225) 6.357 6.431 ( 3.951 -2.563 0.050) 4.710 6.502 ( -0.208 -0.921 -0.023) 0.944 6.652 ( 6.772 4.442 -1.042) 8.166 8.582 ( -1.857 3.761 6.476) 7.716 9.275 ( 2.235 -0.249 -6.350) 6.736 9.634 ( -3.308 -0.484 0.879) 3.457 9.966 ( -5.429 -2.773 -0.305) 6.104 10.186 ( -0.165 -0.732 4.317) 4.382 10.648 ( -1.780 -1.516 -1.979) 3.063 10.878 ( -5.338 -7.141 0.963) 8.967 11.044 ( -2.088 -6.054 -7.214) 9.646 11.896 ( -1.569 0.719 -0.857) 1.927 11.979 ( -0.117 -0.849 -0.778) 1.157 12.338 ( -2.967 7.906 1.027) 8.507 12.781 ( 3.742 8.224 -9.904) 13.406 13.319 ( -1.813 6.056 4.235) 7.609 13.737 ( 1.734 -7.813 -3.674) 8.807 14.237 ( 0.416 1.553 2.588) 3.047 14.622 ( 0.412 3.447 -2.271) 4.148 16.883 ( 1.131 2.344 -0.687) 2.692 16.996 ( 1.085 -0.164 -3.126) 3.313 17.476 ( -1.647 -0.819 0.388) 1.880 17.523 ( -3.268 1.444 -0.332) 3.589 18.083 ( -1.879 -4.647 4.261) 6.579 18.387 ( 7.475 1.266 3.034) 8.166 23.293 ( -7.785 0.299 7.137) 10.565 24.107 ( -1.020 -24.923 3.225) 25.152 25.415 ( -6.547 -3.181 5.237) 8.968 25.843 ( 6.575 7.009 -7.964) 12.481 28.034 ( 0.023 -2.494 0.404) 2.526 28.110 ( 0.493 1.874 -1.082) 2.219 28.857 ( -0.220 -0.334 1.950) 1.991 29.168 ( 0.688 0.550 -4.176) 4.268 29.474 ( -0.231 11.098 -4.112) 11.838 29.518 ( 0.596 5.292 -2.123) 5.733 30.700 ( -5.057 -2.230 7.573) 9.376 31.217 ( 12.035 4.776 -1.720) 13.062 31.287 ( 0.125 -1.385 0.557) 1.498 31.429 ( 4.408 -1.810 -0.861) 4.842 32.118 ( -0.049 0.183 1.712) 1.723 32.933 ( -4.744 -5.724 -2.220) 7.758 101.084 ( 1.518 -0.153 -2.683) 3.087 101.216 ( 0.351 -0.418 -2.111) 2.180 101.515 ( -2.951 0.562 6.631) 7.279 101.617 ( 24.723 -7.941 10.163) 27.884 ======================= Grid point 140 (66/165) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 5.261 -0.000 19.246) 19.953 1.244 ( 11.433 -0.000 17.882) 21.225 1.793 ( 4.697 -0.000 -1.280) 4.868 1.862 ( 1.179 -0.000 -3.052) 3.272 1.970 ( 1.306 -0.000 -5.943) 6.084 2.153 ( -2.878 0.000 -2.183) 3.612 2.500 ( 1.303 -0.000 -7.540) 7.652 2.610 ( 7.867 -0.000 15.957) 17.790 2.810 ( 5.113 -0.000 6.761) 8.477 3.080 ( -3.463 0.000 4.137) 5.395 3.119 ( 9.753 -0.000 -13.831) 16.924 3.246 ( 9.859 -0.000 -6.373) 11.739 3.384 ( 0.574 -0.000 4.517) 4.553 3.427 ( 0.463 -0.000 7.008) 7.023 3.543 ( 6.563 -0.000 -1.387) 6.708 3.712 ( 2.892 -0.000 -1.131) 3.106 4.242 ( -3.938 0.000 11.641) 12.289 4.752 ( 2.335 -0.000 2.609) 3.501 5.047 ( -8.531 0.000 -0.602) 8.552 5.338 ( 4.995 -0.000 9.007) 10.299 6.285 ( -6.616 0.000 -4.966) 8.273 6.466 ( -4.578 0.000 1.539) 4.830 6.724 ( -2.020 0.000 1.049) 2.277 6.743 ( 18.118 -0.000 -16.549) 24.538 8.631 ( 0.080 -0.000 5.538) 5.538 9.206 ( 2.441 -0.000 -7.088) 7.497 9.598 ( -0.865 0.000 0.917) 1.261 9.853 ( -2.996 0.000 4.796) 5.655 10.246 ( -1.015 0.000 2.802) 2.981 10.641 ( 1.249 -0.000 1.304) 1.805 10.697 ( -7.057 0.000 -0.852) 7.108 10.870 ( -2.117 0.000 -9.363) 9.599 11.842 ( 0.461 -0.000 0.363) 0.586 11.972 ( -0.115 0.000 -0.475) 0.489 12.216 ( -2.166 0.000 1.368) 2.562 12.686 ( 3.388 -0.000 -5.177) 6.187 13.362 ( 0.262 -0.000 6.406) 6.411 13.807 ( 2.184 -0.000 -3.328) 3.980 14.241 ( -0.592 0.000 2.625) 2.691 14.502 ( -2.416 0.000 -3.121) 3.947 16.876 ( -0.442 0.000 -0.042) 0.444 17.004 ( 1.780 -0.000 -2.464) 3.039 17.423 ( -2.210 0.000 2.356) 3.230 17.497 ( 0.703 -0.000 0.172) 0.724 18.095 ( -3.140 0.000 3.051) 4.378 18.472 ( -0.800 0.000 -0.472) 0.928 23.229 ( -2.940 0.000 6.643) 7.264 23.801 ( -20.063 0.000 7.005) 21.250 25.310 ( -1.238 0.000 -0.256) 1.264 25.846 ( 0.738 -0.000 -0.104) 0.745 28.068 ( 0.380 -0.000 -0.918) 0.994 28.095 ( 0.556 -0.000 0.226) 0.600 28.851 ( -2.058 0.000 2.346) 3.121 29.098 ( 0.022 -0.000 -3.177) 3.177 29.298 ( -2.749 0.000 0.022) 2.749 29.560 ( 4.791 -0.000 -1.251) 4.952 30.601 ( -6.942 0.000 3.874) 7.950 31.302 ( -2.368 0.000 2.534) 3.468 31.470 ( 7.002 -0.000 -0.935) 7.065 31.785 ( 11.603 -0.000 -2.400) 11.849 32.252 ( 3.053 -0.000 5.852) 6.601 32.720 ( -2.896 0.000 -12.956) 13.276 101.083 ( 0.841 -0.000 -1.662) 1.863 101.216 ( 2.215 -0.000 -2.914) 3.660 101.469 ( -5.647 0.000 4.469) 7.202 102.234 ( 2.814 -0.000 -7.117) 7.653 ======================= Grid point 141 (67/165) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 7.483 5.353 13.428) 16.277 1.549 ( 6.275 -6.745 11.287) 14.569 1.825 ( 5.591 1.342 1.897) 6.055 1.948 ( 6.018 -4.200 -3.401) 8.088 1.977 ( 1.636 -2.961 -1.216) 3.595 2.144 ( -1.172 -4.904 -2.487) 5.622 2.435 ( 0.090 4.299 -9.136) 10.097 2.633 ( -2.943 0.971 0.976) 3.249 2.961 ( 6.314 5.409 -3.847) 9.161 3.049 ( 3.202 0.124 4.533) 5.551 3.114 ( 9.217 0.872 0.645) 9.281 3.339 ( 7.894 -0.493 -5.384) 9.568 3.393 ( -0.837 1.816 4.662) 5.073 3.457 ( -1.884 -1.333 2.506) 3.407 3.673 ( 9.271 -4.271 -1.420) 10.306 3.755 ( 4.503 -1.645 -0.346) 4.806 4.237 ( -2.314 3.933 10.535) 11.481 4.755 ( 1.476 3.188 0.539) 3.554 4.967 ( -5.860 1.398 3.212) 6.828 5.412 ( 3.902 2.022 4.463) 6.263 6.181 ( -7.394 0.213 -4.534) 8.676 6.409 ( -5.306 0.682 0.986) 5.439 6.663 ( 1.119 7.686 -9.423) 12.212 6.722 ( 3.219 3.165 -6.062) 7.558 8.686 ( -0.348 -3.053 4.839) 5.732 9.224 ( 3.679 -2.092 -6.089) 7.415 9.570 ( -1.424 2.578 3.362) 4.469 9.880 ( -1.366 -2.266 4.231) 4.990 10.250 ( -0.937 -0.286 3.234) 3.379 10.555 ( -3.676 6.239 0.800) 7.286 10.687 ( -0.397 -1.135 -0.416) 1.272 10.781 ( -0.692 2.790 -6.769) 7.354 11.859 ( 0.487 -0.026 1.547) 1.622 11.964 ( 0.238 0.633 -0.267) 0.727 12.256 ( -1.596 -6.752 0.970) 7.006 12.752 ( 3.130 -6.236 -5.547) 8.914 13.391 ( 0.380 0.982 3.598) 3.749 13.761 ( 2.728 5.946 -2.576) 7.030 14.287 ( 0.351 -4.052 2.937) 5.017 14.473 ( -3.344 -1.551 -3.117) 4.827 16.878 ( -0.653 -1.119 -0.533) 1.401 17.009 ( 1.619 -0.002 -2.472) 2.955 17.423 ( -1.966 -0.986 2.832) 3.586 17.509 ( 0.860 -0.203 0.214) 0.909 18.059 ( -3.145 2.070 3.733) 5.302 18.472 ( -2.374 -1.956 -0.647) 3.144 23.247 ( -1.583 -0.392 6.889) 7.080 23.625 ( -14.863 3.408 10.378) 18.446 25.297 ( 0.317 0.254 -1.586) 1.637 25.852 ( -1.314 -0.953 -0.728) 1.779 28.031 ( 0.044 3.005 -0.066) 3.006 28.131 ( 0.925 -2.182 -0.808) 2.504 28.842 ( -2.147 0.036 2.445) 3.255 29.092 ( 0.265 -0.968 -3.370) 3.516 29.317 ( -2.649 -5.643 -0.313) 6.242 29.641 ( 4.492 -4.443 -1.423) 6.477 30.553 ( -5.731 -0.111 3.450) 6.690 31.246 ( -2.805 4.712 1.863) 5.791 31.535 ( 7.869 1.577 -0.372) 8.034 31.888 ( 7.648 -1.135 -0.063) 7.732 32.295 ( 1.574 2.864 4.499) 5.561 32.593 ( -1.437 1.955 -13.547) 13.762 101.083 ( 0.742 0.165 -1.073) 1.315 101.219 ( 2.649 0.650 -3.401) 4.360 101.427 ( -5.767 0.145 2.932) 6.471 102.131 ( -1.417 7.704 -3.864) 8.734 ======================= Grid point 142 (68/165) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 3.990 4.540 3.947) 7.219 1.667 ( 1.059 0.366 0.854) 1.409 1.913 ( 7.578 -0.519 4.164) 8.662 2.000 ( 2.016 -2.600 -1.474) 3.605 2.071 ( 1.228 -0.750 -3.987) 4.238 2.227 ( -0.304 3.974 -2.755) 4.846 2.349 ( 2.073 -8.421 3.701) 9.429 2.612 ( 0.867 -0.438 -2.151) 2.360 2.870 ( 3.616 5.457 -5.256) 8.395 3.020 ( -2.296 1.697 -2.015) 3.495 3.266 ( 6.297 2.720 0.621) 6.887 3.342 ( 3.959 1.756 -0.319) 4.342 3.363 ( -2.118 2.941 4.194) 5.543 3.483 ( 3.116 -1.159 -1.936) 3.847 3.745 ( 5.674 2.784 -3.798) 7.374 3.908 ( 6.492 -5.837 1.994) 8.955 4.201 ( -1.504 2.260 5.775) 6.382 4.688 ( 0.729 6.011 -1.864) 6.336 4.909 ( -2.820 3.225 6.101) 7.455 5.392 ( 1.708 4.798 -2.483) 5.666 6.081 ( -6.436 0.007 -2.985) 7.094 6.324 ( -2.850 5.021 -3.304) 6.652 6.485 ( 1.990 6.934 -3.982) 8.240 6.667 ( -3.942 0.096 -4.183) 5.748 8.773 ( -1.084 -5.521 3.933) 6.865 9.227 ( 1.225 3.695 -2.366) 4.555 9.586 ( 1.381 -3.880 3.482) 5.393 9.903 ( -1.405 0.614 1.203) 1.949 10.281 ( -0.158 -1.894 3.026) 3.573 10.440 ( -3.442 3.621 3.731) 6.235 10.685 ( 0.228 1.694 -3.368) 3.777 10.703 ( 1.112 2.235 -1.296) 2.813 11.857 ( -0.145 1.560 1.674) 2.293 11.958 ( 0.617 0.625 0.300) 0.928 12.408 ( -0.155 -12.111 0.273) 12.115 12.857 ( 2.033 -6.090 -4.795) 8.013 13.376 ( 0.550 2.224 -0.193) 2.299 13.675 ( 3.752 7.148 -0.569) 8.092 14.397 ( -0.155 -5.144 1.738) 5.432 14.432 ( -3.072 -1.114 -1.702) 3.685 16.892 ( -0.329 -1.835 -1.178) 2.206 17.011 ( 1.542 0.090 -2.654) 3.070 17.444 ( -1.656 -1.897 3.311) 4.160 17.523 ( 0.469 -0.214 0.742) 0.903 18.012 ( -3.319 2.373 4.669) 6.201 18.466 ( -3.012 -1.508 -1.644) 3.748 23.282 ( -0.812 -0.628 7.138) 7.212 23.502 ( -10.884 2.472 11.385) 15.943 25.295 ( 1.053 -0.275 -1.431) 1.798 25.839 ( -1.428 -0.584 -2.347) 2.809 27.984 ( -0.245 2.598 0.468) 2.651 28.165 ( 1.137 -1.381 -1.565) 2.377 28.833 ( -1.848 -0.017 2.263) 2.922 29.095 ( 0.753 -1.108 -3.198) 3.467 29.410 ( -1.815 -8.689 -0.477) 8.889 29.765 ( 3.358 -6.094 -1.791) 7.185 30.527 ( -4.293 -0.850 3.851) 5.830 31.131 ( -2.970 5.831 1.040) 6.626 31.572 ( 9.354 4.517 -2.013) 10.581 31.982 ( 1.411 -2.203 3.947) 4.735 32.186 ( 3.237 10.721 -9.637) 14.774 32.544 ( -1.660 -2.998 -1.164) 3.619 101.082 ( 0.740 0.334 -0.509) 0.958 101.212 ( 2.619 1.150 -3.785) 4.745 101.379 ( -4.826 0.086 1.334) 5.007 101.956 ( -2.488 8.879 -1.152) 9.293 ======================= Grid point 143 (69/165) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.110 2.848 -2.799) 5.061 1.613 ( -0.299 5.312 -2.369) 5.824 1.865 ( -3.821 11.820 -8.990) 15.333 2.042 ( 5.289 -3.251 2.668) 6.757 2.072 ( 1.952 -3.334 0.854) 3.956 2.227 ( -0.472 -3.276 -0.266) 3.321 2.542 ( -0.043 -1.884 9.433) 9.619 2.651 ( 2.670 -2.588 -3.024) 4.793 2.830 ( 4.645 0.508 -0.669) 4.720 2.945 ( 0.174 2.700 -5.271) 5.924 3.153 ( -1.308 11.795 3.962) 12.511 3.299 ( -2.860 2.778 -0.297) 3.998 3.368 ( 0.484 0.407 -2.388) 2.470 3.527 ( 3.250 -0.243 -1.163) 3.461 3.688 ( 1.230 5.073 -4.831) 7.113 3.970 ( 1.544 5.246 3.134) 6.302 4.269 ( 2.558 -7.446 -0.847) 7.919 4.561 ( 0.060 7.688 -4.041) 8.685 4.875 ( 0.235 3.555 7.626) 8.417 5.280 ( 0.081 6.162 -6.893) 9.246 6.012 ( -3.834 0.352 -1.968) 4.323 6.212 ( 2.814 3.953 -2.060) 5.272 6.439 ( 0.504 1.252 0.128) 1.355 6.603 ( -4.309 -1.590 -4.785) 6.633 8.885 ( -1.467 -7.540 3.079) 8.276 9.114 ( -1.406 8.876 2.190) 9.250 9.734 ( 3.592 -7.206 0.052) 8.052 9.842 ( -2.344 3.530 0.539) 4.272 10.318 ( -0.444 -0.792 1.518) 1.769 10.410 ( -3.523 -0.193 4.125) 5.428 10.630 ( 2.326 1.524 -2.587) 3.798 10.717 ( 0.778 -0.914 1.709) 2.088 11.837 ( -0.584 1.052 1.363) 1.818 11.961 ( 0.712 0.268 0.724) 1.050 12.623 ( 2.089 -12.819 -1.573) 13.084 12.918 ( 0.782 -1.597 -2.916) 3.416 13.345 ( 1.007 1.094 -3.144) 3.478 13.609 ( 3.017 5.971 1.370) 6.829 14.342 ( -3.481 1.796 -2.523) 4.659 14.543 ( 1.228 -6.210 2.484) 6.800 16.915 ( 0.236 -2.104 -1.849) 2.811 17.008 ( 1.564 0.337 -2.818) 3.240 17.480 ( -1.236 -1.755 3.245) 3.891 17.533 ( -0.900 -0.443 1.864) 2.117 17.967 ( -3.444 1.998 5.197) 6.547 18.440 ( -2.044 -0.034 -1.620) 2.608 23.329 ( -0.760 -1.109 7.433) 7.554 23.430 ( -9.108 1.324 11.227) 14.518 25.311 ( 0.308 -1.129 0.032) 1.171 25.827 ( 1.050 -0.973 -4.479) 4.702 27.952 ( -0.339 1.343 0.875) 1.638 28.181 ( 1.080 -0.349 -2.105) 2.392 28.830 ( -1.260 -0.185 1.985) 2.358 29.108 ( 1.092 -1.363 -2.821) 3.318 29.541 ( -0.096 -8.590 -0.508) 8.605 29.863 ( 1.729 -3.167 -2.104) 4.177 30.533 ( -3.200 -1.720 4.747) 5.977 31.034 ( -2.031 2.356 0.199) 3.117 31.569 ( 11.049 6.692 -4.746) 13.762 31.880 ( -8.111 8.669 -7.019) 13.792 32.108 ( 9.725 2.904 -2.920) 10.561 32.598 ( -4.203 -5.103 5.570) 8.645 101.082 ( 0.883 0.484 -0.124) 1.014 101.198 ( 2.053 1.033 -3.649) 4.312 101.343 ( -2.624 -0.077 0.453) 2.664 101.789 ( -2.842 7.705 0.395) 8.222 ======================= Grid point 144 (70/165) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.815 7.462 -1.771) 7.712 1.480 ( -0.266 7.392 -0.717) 7.431 1.655 ( 1.075 3.731 -4.818) 6.188 2.134 ( 1.500 -1.460 0.450) 2.141 2.161 ( 2.467 -3.336 0.442) 4.173 2.282 ( -3.412 -8.096 -1.988) 9.008 2.503 ( -4.141 5.415 -4.194) 8.004 2.631 ( -0.492 1.942 5.412) 5.771 2.873 ( 1.450 17.349 13.051) 21.758 2.911 ( 1.882 0.960 -9.739) 9.966 2.980 ( 7.055 5.417 0.617) 8.916 3.205 ( -4.473 -0.272 -4.032) 6.028 3.345 ( -3.854 -1.567 1.259) 4.347 3.527 ( -1.577 1.389 1.480) 2.570 3.590 ( 1.683 5.236 -3.944) 6.768 3.890 ( -1.996 3.174 -1.617) 4.083 4.375 ( 3.892 2.856 -3.616) 6.032 4.428 ( 0.155 2.172 -0.982) 2.389 4.899 ( 1.575 -0.644 6.621) 6.836 5.152 ( 0.584 4.571 -5.871) 7.463 5.964 ( -1.835 0.911 -0.506) 2.110 6.241 ( 5.494 -1.730 -0.431) 5.776 6.424 ( -1.289 0.007 -0.127) 1.295 6.602 ( 0.722 -3.682 -3.421) 5.077 8.958 ( -1.996 10.019 4.475) 11.153 9.017 ( -1.238 -8.587 2.157) 8.940 9.718 ( -3.020 4.409 0.843) 5.410 9.906 ( 3.752 -4.853 -1.646) 6.351 10.305 ( -1.543 2.417 0.939) 3.017 10.392 ( -2.805 -2.113 0.724) 3.585 10.684 ( 0.496 -6.219 -0.980) 6.315 10.752 ( 0.846 -0.290 3.087) 3.214 11.834 ( -0.566 -0.724 1.087) 1.423 11.970 ( 0.354 -0.079 0.453) 0.580 12.822 ( 4.847 -6.893 -4.855) 9.725 12.885 ( -0.319 2.823 -1.997) 3.472 13.339 ( 1.139 -1.805 -3.874) 4.423 13.547 ( -0.618 4.329 1.140) 4.519 14.286 ( -0.069 1.243 -0.190) 1.260 14.649 ( 0.589 -4.106 0.797) 4.224 16.939 ( 0.612 -1.608 -2.665) 3.172 17.002 ( 1.721 0.623 -2.888) 3.419 17.497 ( -0.616 0.395 1.829) 1.970 17.542 ( -3.318 -1.615 3.126) 4.837 17.940 ( -2.974 0.588 5.877) 6.613 18.418 ( 0.727 1.099 0.478) 1.402 23.359 ( -6.418 0.408 8.473) 10.637 23.416 ( -3.255 -2.665 10.498) 11.309 25.332 ( -1.839 -1.633 1.846) 3.075 25.851 ( 4.473 -2.013 -6.599) 8.223 27.944 ( -0.370 -0.207 1.100) 1.179 28.177 ( 0.985 0.549 -2.327) 2.586 28.835 ( -0.717 -0.389 1.812) 1.987 29.128 ( 1.162 -1.447 -2.726) 3.298 29.662 ( 1.993 -5.018 -1.570) 5.623 29.866 ( 0.111 2.592 -1.966) 3.255 30.561 ( -2.722 -1.983 5.683) 6.607 31.038 ( -0.189 -4.412 -0.478) 4.442 31.539 ( 9.260 6.480 -9.736) 14.917 31.607 ( -2.075 10.628 -7.507) 13.176 32.137 ( 3.296 2.039 1.264) 4.077 32.670 ( -5.645 -5.717 7.059) 10.695 101.083 ( 1.198 0.550 -0.421) 1.384 101.188 ( 1.283 0.064 -2.668) 2.961 101.339 ( 0.943 -0.389 1.396) 1.729 101.655 ( -3.022 5.615 2.058) 6.701 ======================= Grid point 145 (71/165) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.955 15.322 6.211) 16.999 1.389 ( 0.798 9.406 11.522) 14.895 1.736 ( 9.406 -7.236 -6.617) 13.588 2.118 ( -2.726 1.751 -2.411) 4.039 2.175 ( -5.165 0.919 -2.665) 5.884 2.328 ( -6.096 2.591 -1.692) 6.837 2.422 ( 1.039 -7.777 -0.268) 7.851 2.580 ( -1.403 19.015 10.940) 21.983 2.666 ( 4.284 0.153 3.913) 5.804 2.855 ( 0.723 9.860 -3.185) 10.387 2.901 ( 2.255 -0.448 -6.990) 7.359 3.212 ( 4.514 2.364 -1.007) 5.194 3.375 ( -2.700 -2.416 4.886) 6.083 3.491 ( 0.957 3.609 0.604) 3.782 3.517 ( 0.471 0.735 -1.211) 1.493 3.818 ( -6.644 -0.884 -2.921) 7.312 4.249 ( 0.648 7.310 -3.567) 8.160 4.481 ( 4.217 -0.864 3.750) 5.709 4.998 ( 2.385 -4.002 5.531) 7.231 5.105 ( 1.647 -0.619 -2.633) 3.167 5.944 ( 0.953 0.558 1.907) 2.203 6.341 ( 5.369 -3.076 -1.108) 6.286 6.423 ( -2.722 -2.474 0.515) 3.714 6.676 ( 4.512 -3.115 -2.804) 6.158 8.808 ( -1.755 9.280 5.662) 11.012 9.152 ( -0.235 -7.727 0.239) 7.734 9.631 ( -3.624 2.609 2.020) 4.901 9.960 ( 2.259 0.617 -2.041) 3.106 10.241 ( -0.909 3.497 1.242) 3.820 10.448 ( -3.197 -7.853 -1.003) 8.538 10.764 ( -1.783 -2.140 0.013) 2.785 10.796 ( -0.210 -5.636 0.165) 5.643 11.858 ( -0.552 -1.964 0.944) 2.248 11.970 ( -0.390 0.055 -0.667) 0.774 12.715 ( -1.238 11.387 -1.743) 11.586 12.945 ( 6.232 -0.893 -9.266) 11.203 13.398 ( 0.304 -5.390 -0.665) 5.439 13.479 ( -2.170 0.519 -2.087) 3.055 14.290 ( 1.810 0.979 2.092) 2.935 14.689 ( -0.554 -0.866 -1.117) 1.518 16.944 ( 0.715 0.025 -3.057) 3.140 16.994 ( 1.839 0.518 -2.963) 3.525 17.482 ( -1.148 1.045 1.325) 2.041 17.538 ( -3.837 -0.702 2.068) 4.415 17.957 ( -2.331 -1.872 6.545) 7.196 18.435 ( 3.852 1.060 3.040) 5.020 23.314 ( -7.377 0.987 8.166) 11.049 23.537 ( -3.183 -8.502 11.538) 14.681 25.344 ( -3.642 -1.792 2.873) 4.973 25.900 ( 5.468 -1.884 -8.118) 9.968 27.961 ( -0.454 -1.543 1.042) 1.916 28.161 ( 1.055 1.147 -2.141) 2.648 28.846 ( -0.575 -0.497 1.797) 1.951 29.146 ( 0.988 -1.207 -3.061) 3.436 29.703 ( 3.562 2.336 -3.981) 5.830 29.772 ( -1.207 6.226 -2.523) 6.825 30.604 ( -2.978 -2.749 6.610) 7.753 31.142 ( 1.045 -7.350 -1.283) 7.534 31.359 ( -5.303 4.460 -7.999) 10.583 31.537 ( 15.571 8.399 -5.872) 18.641 32.136 ( 0.503 1.390 2.833) 3.196 32.734 ( -6.295 -5.545 5.250) 9.896 101.084 ( 1.360 0.340 -1.629) 2.150 101.193 ( 0.602 -0.837 -2.093) 2.333 101.420 ( 6.665 -3.366 5.510) 9.280 101.570 ( -2.735 3.038 4.164) 5.835 ======================= Grid point 146 (72/165) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.549 8.870 16.062) 18.356 1.319 ( 2.358 12.121 18.556) 22.289 1.871 ( 5.046 -0.501 -5.734) 7.654 1.992 ( -6.750 2.899 -6.636) 9.900 2.044 ( -3.705 3.925 0.390) 5.411 2.251 ( -1.612 2.674 1.819) 3.613 2.362 ( 6.109 15.449 17.985) 24.483 2.585 ( -1.363 -2.030 0.207) 2.453 2.702 ( -1.725 -3.529 0.223) 3.935 2.797 ( 7.176 -4.755 -9.107) 12.531 2.955 ( 5.324 -4.375 -1.640) 7.084 3.201 ( 4.754 3.464 -1.042) 5.974 3.363 ( -1.139 1.998 2.147) 3.146 3.419 ( 3.060 5.755 -0.193) 6.521 3.589 ( 3.364 -0.939 3.269) 4.784 3.729 ( -6.045 1.195 -1.918) 6.453 4.167 ( -3.369 0.115 3.261) 4.690 4.581 ( 5.271 -1.614 5.163) 7.553 5.106 ( 2.682 -1.681 6.518) 7.246 5.165 ( -2.292 -7.226 -4.173) 8.653 6.052 ( 13.490 -4.775 4.273) 14.935 6.419 ( 0.774 -2.497 -3.552) 4.411 6.446 ( -2.132 -3.543 1.447) 4.380 6.738 ( 4.033 -0.081 -2.058) 4.528 8.691 ( -1.116 6.984 5.991) 9.269 9.243 ( 1.286 -3.188 -3.476) 4.889 9.583 ( -3.935 -0.437 2.210) 4.534 9.935 ( -0.570 2.146 -0.090) 2.222 10.206 ( -0.091 1.110 2.584) 2.813 10.535 ( -3.199 -7.372 -1.845) 8.245 10.770 ( -2.771 -1.563 1.387) 3.470 10.875 ( -2.184 -6.733 -4.853) 8.582 11.879 ( -1.279 -0.713 0.308) 1.496 11.958 ( -0.377 -0.444 -1.316) 1.440 12.485 ( -2.288 12.516 -0.815) 12.750 12.897 ( 5.147 6.637 -10.699) 13.602 13.384 ( -2.321 2.719 1.304) 3.805 13.579 ( 1.833 -10.646 -3.076) 11.232 14.290 ( 0.407 2.586 3.017) 3.994 14.654 ( -1.664 2.215 -2.519) 3.745 16.920 ( 0.561 1.708 -2.071) 2.742 16.994 ( 1.915 0.044 -2.960) 3.525 17.460 ( -1.737 0.585 1.296) 2.245 17.512 ( -2.248 0.549 1.134) 2.577 18.016 ( -2.277 -3.804 5.808) 7.307 18.483 ( 4.354 1.065 1.931) 4.881 23.268 ( -6.259 0.890 7.221) 9.598 23.742 ( -8.186 -15.432 10.488) 20.375 25.344 ( -4.580 -1.487 2.906) 5.625 25.912 ( 3.442 1.217 -7.945) 8.744 27.993 ( -0.505 -2.392 0.677) 2.537 28.141 ( 1.201 1.545 -1.572) 2.510 28.856 ( -0.975 -0.414 1.888) 2.165 29.151 ( 0.603 -0.482 -3.742) 3.821 29.601 ( -2.463 9.234 -6.170) 11.376 29.634 ( 3.331 7.644 -1.799) 8.530 30.646 ( -4.743 -2.420 6.716) 8.571 31.232 ( -1.576 -3.279 -0.730) 3.711 31.295 ( 2.091 -3.374 -1.693) 4.315 31.569 ( 16.697 4.841 -5.249) 18.160 32.147 ( 1.033 0.425 3.846) 4.005 32.773 ( -6.020 -5.485 0.265) 8.148 101.084 ( 1.221 0.037 -2.324) 2.626 101.199 ( 0.736 -0.717 -2.389) 2.601 101.518 ( -4.014 0.315 5.039) 6.450 101.704 ( 14.206 -11.062 7.073) 19.344 ======================= Grid point 149 (73/165) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.318 -0.000 11.775) 12.001 1.632 ( 8.503 -0.000 9.900) 13.050 1.936 ( 6.080 -0.000 3.557) 7.044 1.950 ( 7.057 -0.000 2.490) 7.483 1.990 ( 7.419 -0.000 -6.919) 10.145 2.059 ( -0.787 0.000 -2.530) 2.649 2.429 ( 0.667 -0.000 -10.203) 10.225 2.596 ( -5.026 0.000 0.226) 5.031 2.994 ( -5.743 0.000 0.581) 5.772 3.070 ( 5.441 -0.000 -9.860) 11.262 3.289 ( 14.052 -0.000 -1.076) 14.093 3.351 ( 5.746 -0.000 -5.584) 8.013 3.434 ( -0.488 0.000 4.323) 4.351 3.435 ( -0.725 0.000 0.784) 1.068 3.735 ( 9.293 -0.000 2.610) 9.652 3.798 ( 5.668 -0.000 -2.857) 6.347 4.308 ( -1.653 0.000 9.202) 9.349 4.806 ( 1.870 -0.000 0.974) 2.109 4.954 ( -4.411 0.000 7.763) 8.929 5.472 ( 1.785 -0.000 -1.235) 2.171 6.078 ( -7.019 0.000 -4.509) 8.343 6.349 ( -6.417 0.000 0.330) 6.426 6.608 ( -8.045 0.000 -1.737) 8.230 6.765 ( 3.864 -0.000 -17.252) 17.680 8.680 ( -0.959 0.000 3.985) 4.099 9.217 ( 5.271 -0.000 -5.720) 7.779 9.604 ( -0.568 0.000 3.202) 3.251 9.879 ( -1.535 0.000 7.815) 7.964 10.249 ( -2.155 0.000 3.919) 4.472 10.558 ( -3.534 0.000 -2.839) 4.533 10.686 ( 0.301 -0.000 -0.402) 0.502 10.780 ( 2.195 -0.000 -2.503) 3.329 11.881 ( 1.038 -0.000 3.259) 3.421 11.969 ( 0.241 -0.000 -0.400) 0.467 12.194 ( -1.255 0.000 1.527) 1.977 12.709 ( 3.580 -0.000 -3.983) 5.356 13.429 ( 0.357 -0.000 3.638) 3.656 13.818 ( 2.064 -0.000 -3.132) 3.751 14.267 ( 0.508 -0.000 1.917) 1.983 14.414 ( -2.496 0.000 -2.622) 3.620 16.857 ( -1.017 0.000 -0.292) 1.058 17.010 ( 1.327 -0.000 -2.430) 2.769 17.407 ( -2.248 0.000 3.157) 3.875 17.518 ( 1.134 -0.000 -0.144) 1.143 18.063 ( -2.890 0.000 3.081) 4.224 18.422 ( -3.478 0.000 -0.062) 3.479 23.274 ( -0.333 0.000 7.316) 7.324 23.556 ( -13.461 0.000 11.359) 17.613 25.295 ( 1.543 -0.000 -3.461) 3.789 25.819 ( -3.339 0.000 0.439) 3.368 28.072 ( 0.950 -0.000 -0.817) 1.253 28.102 ( -0.020 0.000 -0.146) 0.148 28.832 ( -2.365 0.000 2.621) 3.530 29.068 ( 0.445 -0.000 -2.844) 2.879 29.248 ( -1.949 0.000 0.639) 2.051 29.644 ( 4.304 -0.000 -1.567) 4.580 30.514 ( -4.475 0.000 3.137) 5.465 31.268 ( -2.935 0.000 1.434) 3.267 31.620 ( 7.079 -0.000 -0.883) 7.133 31.945 ( 2.741 -0.000 3.654) 4.568 32.369 ( 0.964 -0.000 6.601) 6.671 32.517 ( 2.565 -0.000 -20.111) 20.273 101.089 ( 0.823 -0.000 -0.304) 0.878 101.235 ( 3.110 -0.000 -4.100) 5.147 101.379 ( -5.739 0.000 1.710) 5.989 102.129 ( -4.800 0.000 -4.657) 6.688 ======================= Grid point 150 (74/165) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.523 6.952 6.046) 9.228 1.742 ( 5.083 1.946 3.467) 6.453 1.952 ( -0.555 0.278 -4.382) 4.426 2.037 ( 7.382 0.317 3.201) 8.053 2.070 ( 8.282 -2.198 -1.899) 8.777 2.215 ( 4.602 -9.057 7.155) 12.426 2.308 ( -2.107 5.111 -9.195) 10.729 2.564 ( -3.182 -2.324 -1.920) 4.384 2.926 ( -4.005 2.285 -0.507) 4.638 3.014 ( 3.221 3.490 -8.114) 9.402 3.333 ( 0.935 1.911 -4.287) 4.786 3.390 ( -0.807 -0.181 0.216) 0.854 3.447 ( 6.899 1.490 -3.771) 8.002 3.484 ( 5.075 -1.738 0.101) 5.365 3.810 ( 3.471 2.145 -6.169) 7.397 3.888 ( 8.086 -5.265 2.167) 9.889 4.298 ( -1.079 4.934 6.882) 8.536 4.789 ( 1.393 5.067 0.654) 5.296 4.959 ( -2.447 0.852 9.130) 9.490 5.428 ( -0.907 2.569 -8.380) 8.812 5.992 ( -5.394 -0.679 -3.460) 6.444 6.295 ( -4.729 -0.682 -0.374) 4.793 6.496 ( -7.012 0.804 -4.246) 8.236 6.650 ( 0.068 4.575 -12.681) 13.482 8.707 ( -1.924 -2.939 2.872) 4.537 9.257 ( 4.774 -0.470 -4.795) 6.783 9.604 ( -0.065 1.107 5.482) 5.593 9.914 ( -1.259 -0.005 6.537) 6.657 10.259 ( -2.588 -1.725 4.562) 5.521 10.477 ( -1.740 4.185 -1.214) 4.692 10.689 ( 1.306 -0.604 -1.856) 2.348 10.782 ( 3.104 3.531 1.444) 4.918 11.900 ( 0.548 1.566 2.890) 3.333 11.970 ( 0.381 0.057 0.045) 0.388 12.252 ( -0.320 -7.161 2.337) 7.539 12.768 ( 3.078 -4.608 -3.519) 6.564 13.425 ( 0.073 2.393 1.087) 2.629 13.790 ( 2.373 3.703 -2.470) 5.044 14.323 ( 0.176 -4.437 1.493) 4.685 14.379 ( -2.078 -0.389 -2.040) 2.938 16.854 ( -0.852 -1.227 -0.566) 1.597 17.010 ( 1.195 -0.077 -2.547) 2.814 17.414 ( -2.260 -1.439 3.623) 4.506 17.530 ( 0.869 -0.058 -0.012) 0.871 18.037 ( -2.683 1.726 3.698) 4.884 18.395 ( -3.708 -1.703 -0.770) 4.152 23.317 ( 0.254 0.013 7.705) 7.709 23.480 ( -10.935 1.218 12.040) 16.310 25.294 ( 1.982 -0.081 -3.681) 4.182 25.787 ( -3.905 -1.066 -0.714) 4.111 28.034 ( 0.172 3.285 -0.000) 3.290 28.136 ( 0.621 -2.388 -1.140) 2.718 28.822 ( -2.260 -0.170 2.488) 3.365 29.070 ( 1.108 -0.978 -2.794) 3.161 29.280 ( -1.272 -5.211 1.322) 5.525 29.709 ( 3.476 -3.774 -1.779) 5.430 30.496 ( -3.110 -0.488 3.575) 4.763 31.199 ( -2.968 4.866 0.943) 5.777 31.677 ( 6.401 0.552 -3.511) 7.321 31.972 ( -4.037 -0.075 4.334) 5.923 32.350 ( 8.034 6.696 -8.019) 13.179 32.477 ( 0.204 -2.018 -4.199) 4.664 101.096 ( 0.970 0.279 0.361) 1.073 101.235 ( 2.742 0.989 -4.621) 5.463 101.332 ( -4.357 -0.460 0.349) 4.395 102.010 ( -5.266 4.458 -3.397) 7.691 ======================= Grid point 151 (75/165) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 1.457 6.164 -0.250) 6.339 1.729 ( 4.868 6.150 -0.582) 7.865 1.937 ( -2.017 0.751 -4.502) 4.990 2.028 ( 2.232 6.809 -7.431) 10.323 2.112 ( 1.724 0.822 2.468) 3.121 2.198 ( 1.979 -0.673 -0.202) 2.100 2.483 ( -4.600 -8.678 9.814) 13.884 2.595 ( 3.347 -6.034 -3.184) 7.599 2.833 ( -3.613 2.493 -1.213) 4.554 2.969 ( 4.481 1.913 -6.604) 8.207 3.269 ( -1.269 3.271 0.836) 3.607 3.351 ( -1.866 3.610 1.632) 4.379 3.432 ( 4.753 5.073 -8.328) 10.848 3.548 ( 3.517 -0.704 -3.063) 4.717 3.732 ( -0.643 3.679 -6.625) 7.605 4.070 ( 5.818 -3.528 1.362) 6.939 4.219 ( -1.223 4.208 3.391) 5.541 4.688 ( 0.748 8.401 -0.269) 8.439 4.966 ( -0.663 2.161 7.458) 7.793 5.292 ( -2.655 3.622 -12.846) 13.608 5.953 ( -2.651 -1.537 -1.898) 3.605 6.257 ( -0.135 0.720 -2.357) 2.468 6.440 ( -1.657 -2.846 -3.223) 4.608 6.509 ( -3.501 3.232 -7.280) 8.700 8.769 ( -2.482 -5.886 2.171) 6.747 9.234 ( 1.299 5.391 -1.305) 5.697 9.672 ( 1.963 -4.780 4.386) 6.777 9.896 ( -1.503 4.087 3.333) 5.484 10.300 ( -2.619 -3.341 4.504) 6.189 10.399 ( -1.128 3.110 0.999) 3.456 10.685 ( 2.690 3.239 -3.746) 5.635 10.774 ( 2.991 2.275 5.430) 6.604 11.875 ( -0.289 2.795 1.869) 3.375 11.973 ( 0.290 0.191 0.452) 0.570 12.434 ( 1.311 -12.217 2.112) 12.468 12.860 ( 2.146 -4.702 -2.782) 5.869 13.375 ( 0.278 3.110 -1.950) 3.681 13.731 ( 1.821 5.242 -1.372) 5.716 14.325 ( -1.103 0.953 -1.749) 2.277 14.447 ( -0.470 -7.048 1.595) 7.241 16.871 ( -0.273 -2.094 -1.199) 2.428 17.010 ( 1.228 -0.070 -2.627) 2.900 17.443 ( -2.367 -2.394 4.108) 5.311 17.536 ( 0.148 0.246 0.453) 0.536 17.995 ( -2.975 2.363 4.481) 5.874 18.391 ( -2.102 -2.358 -1.141) 3.358 23.360 ( -0.206 0.230 7.863) 7.869 23.421 ( -8.814 1.305 11.926) 14.887 25.297 ( 0.827 -0.429 -2.118) 2.314 25.772 ( -1.767 -2.481 -3.265) 4.466 27.986 ( -0.192 2.617 0.569) 2.685 28.166 ( 0.816 -1.335 -1.848) 2.421 28.819 ( -1.857 -0.493 2.160) 2.891 29.087 ( 1.718 -1.086 -2.588) 3.291 29.398 ( -0.099 -8.792 1.714) 8.958 29.804 ( 2.296 -4.856 -2.088) 5.763 30.505 ( -2.075 -1.266 4.601) 5.204 31.083 ( -2.346 5.582 0.651) 6.089 31.689 ( 5.549 2.326 -8.609) 10.503 31.872 ( -7.063 4.372 -2.876) 8.790 32.309 ( 13.572 7.895 -7.144) 17.250 32.506 ( -4.771 -3.992 6.327) 8.873 101.104 ( 1.149 0.551 0.601) 1.409 101.209 ( 0.812 1.251 -4.220) 4.476 101.315 ( -0.841 -1.078 -0.552) 1.474 101.855 ( -4.793 5.745 -2.009) 7.747 ======================= Grid point 152 (76/165) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 6.124 1.205 -2.770) 6.828 1.630 ( 2.758 11.803 -3.141) 12.522 1.767 ( 1.265 8.293 0.432) 8.400 2.054 ( -2.110 -7.632 -2.026) 8.173 2.124 ( -0.382 -0.977 -0.657) 1.237 2.199 ( -0.488 1.677 -1.368) 2.219 2.446 ( -10.104 0.675 -5.105) 11.341 2.688 ( 1.014 1.497 4.662) 5.001 2.866 ( 2.524 -5.227 -4.764) 7.509 3.001 ( 2.864 -5.049 -1.168) 5.921 3.181 ( -1.579 12.387 -3.037) 12.852 3.220 ( 0.750 5.461 3.315) 6.433 3.352 ( -0.601 2.672 0.588) 2.801 3.543 ( 0.022 1.574 -2.516) 2.968 3.651 ( 1.001 2.751 -3.724) 4.737 3.986 ( -1.209 11.393 0.344) 11.462 4.315 ( 1.638 -8.730 -0.429) 8.893 4.546 ( 1.365 9.554 -1.403) 9.752 4.955 ( -0.515 2.061 3.431) 4.035 5.153 ( -1.283 1.647 -10.464) 10.671 5.951 ( -0.701 -0.847 -0.342) 1.152 6.268 ( 4.094 -1.049 -2.325) 4.824 6.399 ( -4.086 1.253 -3.246) 5.366 6.504 ( 1.570 -6.330 -2.732) 7.071 8.870 ( -2.448 -8.270 1.962) 8.845 9.119 ( -0.701 8.785 2.401) 9.134 9.791 ( 0.313 3.506 2.362) 4.239 9.828 ( 0.357 -4.334 0.719) 4.407 10.338 ( -0.171 1.085 3.589) 3.754 10.360 ( -2.881 -0.363 1.380) 3.215 10.632 ( 1.285 1.795 -3.275) 3.950 10.812 ( 2.675 1.616 5.267) 6.124 11.842 ( -0.559 1.491 1.498) 2.186 11.973 ( -0.145 0.213 0.219) 0.339 12.672 ( 3.045 -12.723 -0.061) 13.082 12.909 ( 1.148 -0.217 -2.229) 2.517 13.326 ( 0.840 1.282 -3.822) 4.118 13.632 ( -1.179 6.569 -1.028) 6.753 14.310 ( 1.950 0.629 0.361) 2.080 14.556 ( -1.710 -6.666 0.290) 6.888 16.899 ( 0.427 -2.171 -2.053) 3.018 17.009 ( 1.406 0.085 -2.641) 2.993 17.479 ( -2.611 -2.230 3.985) 5.260 17.527 ( -0.800 0.943 1.000) 1.590 17.956 ( -3.031 1.482 5.215) 6.211 18.418 ( 0.744 -2.334 -0.119) 2.453 23.357 ( -6.771 1.606 9.878) 12.083 23.418 ( -1.923 -0.625 9.444) 9.658 25.299 ( -1.235 -0.792 -0.025) 1.467 25.798 ( 1.463 -3.861 -5.769) 7.095 27.955 ( -0.409 1.281 0.968) 1.657 28.177 ( 0.939 -0.299 -2.283) 2.486 28.823 ( -1.415 -0.811 1.848) 2.465 29.110 ( 1.929 -0.946 -2.534) 3.322 29.562 ( 1.345 -8.799 1.436) 9.017 29.870 ( 1.229 -1.810 -2.368) 3.224 30.541 ( -1.700 -1.660 5.984) 6.439 31.006 ( -0.751 1.273 0.244) 1.499 31.561 ( -4.148 6.750 -12.806) 15.059 31.763 ( 6.418 4.110 -6.578) 10.067 32.264 ( 4.444 7.071 0.001) 8.352 32.575 ( -2.889 -4.286 6.828) 8.563 101.107 ( 1.301 0.874 -0.294) 1.595 101.178 ( 0.063 0.192 -3.447) 3.453 101.344 ( 2.002 -1.851 0.841) 2.854 101.710 ( -4.260 5.064 -0.468) 6.634 ======================= Grid point 153 (77/165) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 3.032 15.886 3.336) 16.513 1.569 ( 7.329 -2.906 3.920) 8.805 1.732 ( 5.939 2.361 0.937) 6.460 2.081 ( -6.983 -3.025 -2.292) 7.948 2.104 ( -4.970 3.688 -5.836) 8.507 2.193 ( -0.965 -6.321 -0.183) 6.397 2.338 ( -1.877 -3.188 -3.775) 5.285 2.691 ( -0.696 2.333 0.300) 2.453 2.825 ( -1.918 10.666 -10.306) 14.955 2.879 ( 1.770 0.756 -6.088) 6.385 3.145 ( 1.896 10.827 10.016) 14.871 3.257 ( 5.433 -3.856 4.172) 7.861 3.335 ( -1.125 -2.052 6.444) 6.855 3.484 ( -2.819 1.459 0.368) 3.195 3.606 ( 2.813 4.131 -1.824) 5.320 3.789 ( -3.631 7.274 -2.610) 8.539 4.388 ( 0.634 8.658 -2.589) 9.059 4.457 ( 2.625 -4.956 -0.077) 5.609 4.955 ( -1.211 -3.708 -2.454) 4.608 5.107 ( 1.670 0.197 -2.078) 2.673 5.970 ( 1.691 -1.281 1.378) 2.529 6.324 ( 0.551 -2.298 -2.701) 3.589 6.354 ( -1.829 -1.940 -0.246) 2.677 6.627 ( 4.122 -6.075 -2.603) 7.789 8.967 ( -1.430 6.137 3.143) 7.042 9.012 ( -1.771 -6.047 2.984) 6.972 9.696 ( -0.613 6.266 2.359) 6.723 9.936 ( 0.964 -4.753 -2.579) 5.493 10.301 ( 0.001 4.007 2.117) 4.532 10.357 ( -1.818 -0.911 2.218) 3.009 10.642 ( -1.033 -4.449 -2.740) 5.326 10.820 ( 0.628 2.355 2.837) 3.740 11.838 ( -0.425 -0.550 1.379) 1.544 11.963 ( -0.756 0.385 -0.695) 1.097 12.847 ( -0.409 6.748 -2.476) 7.199 12.883 ( 4.598 -8.320 -4.005) 10.315 13.325 ( 1.602 -2.646 -3.303) 4.525 13.499 ( -3.203 5.529 -0.623) 6.420 14.342 ( 3.356 0.670 2.487) 4.231 14.619 ( -2.948 -4.430 -1.426) 5.509 16.923 ( 0.963 -1.370 -2.581) 3.077 17.007 ( 1.591 0.394 -2.781) 3.228 17.498 ( -1.279 0.228 1.901) 2.303 17.503 ( -2.479 0.083 2.617) 3.605 17.948 ( -2.683 -0.426 6.083) 6.662 18.476 ( 2.671 -1.882 1.002) 3.417 23.311 ( -6.356 1.736 8.987) 11.144 23.474 ( -3.102 -2.875 9.991) 10.849 25.299 ( -2.302 -1.083 1.261) 2.839 25.852 ( 2.816 -3.907 -7.027) 8.519 27.946 ( -0.619 -0.190 1.071) 1.252 28.174 ( 1.196 0.414 -2.316) 2.639 28.834 ( -1.204 -0.929 1.700) 2.281 29.128 ( 1.724 -0.652 -2.875) 3.415 29.694 ( 1.424 -3.940 -0.560) 4.226 29.853 ( 1.272 3.596 -2.355) 4.482 30.581 ( -2.383 -1.334 6.866) 7.389 31.044 ( 1.432 -5.241 -0.184) 5.436 31.332 ( -5.549 5.685 -9.126) 12.099 31.753 ( 12.015 4.281 -9.687) 16.016 32.196 ( -1.888 3.759 4.727) 6.327 32.638 ( -2.313 -2.807 3.749) 5.223 101.098 ( 1.114 0.933 -1.889) 2.383 101.170 ( 0.507 -0.903 -2.658) 2.853 101.435 ( 3.334 -4.054 3.771) 6.463 101.607 ( -2.723 2.663 1.554) 4.114 ======================= Grid point 154 (78/165) ======================= q-point: (-0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.693 12.740 8.413) 15.708 1.643 ( 5.296 9.757 15.183) 18.808 1.822 ( -0.059 -4.381 -5.010) 6.656 1.974 ( -0.133 2.469 -3.819) 4.549 2.039 ( -1.621 0.157 -0.660) 1.757 2.240 ( -3.230 -4.334 -1.225) 5.542 2.457 ( 2.097 -6.445 -2.928) 7.383 2.527 ( 0.680 3.820 -9.115) 9.907 2.765 ( 3.574 -1.196 -4.573) 5.925 2.868 ( 1.527 2.432 5.221) 5.959 3.042 ( 6.175 10.755 8.201) 14.868 3.269 ( 1.855 1.834 -1.365) 2.944 3.378 ( -2.556 1.221 3.386) 4.415 3.536 ( -0.875 3.288 0.939) 3.530 3.568 ( 1.525 -5.513 4.259) 7.131 3.700 ( 1.550 0.916 1.285) 2.212 4.236 ( 0.922 8.377 -1.728) 8.603 4.569 ( 1.842 -5.348 0.983) 5.741 4.996 ( -3.729 -6.100 -6.284) 9.519 5.160 ( 4.109 -1.931 5.249) 6.940 6.086 ( 7.790 -7.211 1.114) 10.674 6.316 ( -5.678 -3.000 -1.782) 6.664 6.395 ( 0.317 -2.348 -0.733) 2.480 6.731 ( 2.698 -3.150 -2.150) 4.672 8.838 ( -1.081 8.447 4.856) 9.803 9.145 ( -0.871 -8.110 0.590) 8.178 9.609 ( -0.427 5.244 2.075) 5.656 9.959 ( -0.054 0.162 -2.722) 2.728 10.254 ( 0.396 3.126 2.439) 3.985 10.392 ( -2.290 -4.549 1.952) 5.454 10.697 ( -1.640 -5.541 -3.142) 6.577 10.789 ( -1.490 1.416 -0.118) 2.059 11.855 ( -0.880 -1.061 1.078) 1.750 11.943 ( -0.543 0.061 -1.320) 1.429 12.662 ( -1.370 12.259 -2.103) 12.513 12.960 ( 4.091 0.833 -8.226) 9.225 13.399 ( -2.300 2.434 0.540) 3.392 13.428 ( 2.464 -8.478 -1.688) 8.989 14.365 ( 2.196 2.680 3.603) 4.999 14.618 ( -3.844 -1.351 -2.742) 4.911 16.929 ( 0.841 0.242 -2.221) 2.387 17.001 ( 1.815 0.322 -2.963) 3.490 17.470 ( -1.332 1.467 1.778) 2.662 17.505 ( -1.374 -0.184 2.124) 2.536 17.977 ( -2.612 -2.157 6.283) 7.139 18.529 ( 2.006 -0.537 0.299) 2.098 23.270 ( -4.956 1.544 7.704) 9.290 23.555 ( -6.775 -6.124 10.805) 14.148 25.299 ( -2.205 -0.953 1.465) 2.814 25.890 ( 1.985 -2.002 -6.590) 7.168 27.958 ( -0.745 -1.471 0.856) 1.858 28.165 ( 1.478 0.875 -1.956) 2.603 28.844 ( -1.345 -0.731 1.799) 2.362 29.133 ( 1.200 -0.199 -3.419) 3.629 29.666 ( -2.295 5.485 -3.699) 7.002 29.784 ( 3.836 6.376 -1.767) 7.648 30.604 ( -4.279 -1.158 6.270) 7.679 31.156 ( -0.344 -3.422 -1.733) 3.851 31.228 ( 0.511 -4.699 -0.813) 4.796 31.771 ( 13.966 3.910 -8.978) 17.057 32.172 ( -2.888 -0.385 6.035) 6.701 32.656 ( -2.843 -1.918 -0.805) 3.522 101.086 ( 0.877 0.380 -2.234) 2.430 101.181 ( 1.237 -1.042 -2.741) 3.182 101.496 ( -4.380 -0.357 3.341) 5.521 101.684 ( 6.500 -8.439 4.645) 11.621 ======================= Grid point 158 (79/165) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -3.094 0.000 5.330) 6.163 1.825 ( 2.672 -0.000 3.997) 4.808 1.928 ( -0.961 0.000 -4.320) 4.426 2.093 ( 5.996 -0.000 -2.661) 6.560 2.185 ( 10.740 -0.000 3.609) 11.331 2.213 ( 2.222 -0.000 8.365) 8.655 2.286 ( -1.302 0.000 -11.289) 11.364 2.479 ( -3.418 0.000 -3.621) 4.979 2.904 ( -2.918 0.000 0.984) 3.080 3.052 ( 4.935 -0.000 -9.216) 10.454 3.323 ( 0.290 -0.000 -6.734) 6.740 3.363 ( -0.779 0.000 -0.527) 0.940 3.456 ( 1.011 -0.000 -2.262) 2.478 3.537 ( 3.666 -0.000 -2.893) 4.670 3.811 ( 0.610 -0.000 -9.283) 9.303 3.940 ( 6.691 -0.000 1.836) 6.938 4.379 ( 1.277 -0.000 5.568) 5.712 4.861 ( 1.175 -0.000 1.896) 2.231 4.982 ( -2.722 0.000 7.656) 8.126 5.360 ( -3.722 0.000 -14.380) 14.854 5.919 ( -2.989 0.000 -3.364) 4.500 6.237 ( -3.652 0.000 0.133) 3.655 6.391 ( -7.866 0.000 -3.770) 8.722 6.609 ( 0.636 -0.000 -15.826) 15.839 8.669 ( -2.891 0.000 1.600) 3.304 9.283 ( 5.691 -0.000 -4.737) 7.405 9.646 ( -0.310 0.000 5.433) 5.442 9.948 ( -2.092 0.000 10.966) 11.164 10.229 ( -4.401 0.000 4.250) 6.118 10.524 ( 3.129 -0.000 -0.808) 3.231 10.680 ( 1.667 -0.000 -1.393) 2.172 10.865 ( 3.113 -0.000 3.686) 4.824 11.940 ( 0.475 -0.000 3.235) 3.270 11.971 ( 0.232 -0.000 -0.264) 0.352 12.206 ( -0.215 0.000 3.781) 3.787 12.748 ( 3.410 -0.000 -2.762) 4.388 13.448 ( -1.208 0.000 1.132) 1.655 13.822 ( 1.718 -0.000 -3.255) 3.681 14.293 ( 0.116 -0.000 0.765) 0.774 14.353 ( -0.543 0.000 -1.909) 1.985 16.832 ( -0.975 0.000 -0.207) 0.997 17.007 ( 1.004 -0.000 -2.488) 2.683 17.398 ( -2.244 0.000 3.942) 4.536 17.538 ( 0.779 -0.000 -0.146) 0.793 18.049 ( -1.729 0.000 3.422) 3.834 18.331 ( -4.339 0.000 -0.797) 4.412 23.368 ( 0.538 -0.000 8.422) 8.439 23.448 ( -9.834 0.000 12.598) 15.982 25.295 ( 2.805 -0.000 -4.807) 5.566 25.723 ( -5.203 0.000 -0.678) 5.247 28.087 ( 1.144 -0.000 -0.632) 1.307 28.091 ( -0.542 0.000 -0.589) 0.800 28.810 ( -2.353 0.000 2.491) 3.427 29.063 ( 1.910 -0.000 -2.272) 2.968 29.236 ( -0.786 0.000 2.333) 2.462 29.702 ( 2.874 -0.000 -1.922) 3.457 30.486 ( -1.920 0.000 3.986) 4.424 31.213 ( -2.921 0.000 0.328) 2.940 31.708 ( 3.324 -0.000 -4.531) 5.620 31.932 ( -6.566 0.000 0.521) 6.586 32.428 ( -1.890 0.000 5.528) 5.842 32.483 ( 13.567 -0.000 -14.591) 19.924 101.113 ( 1.061 -0.000 0.821) 1.342 101.249 ( 3.193 -0.000 -5.791) 6.613 101.281 ( -3.746 0.000 -0.137) 3.749 101.960 ( -6.052 0.000 -4.155) 7.342 ======================= Grid point 159 (80/165) ======================= q-point: (-0.50 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -3.114 5.712 0.881) 6.565 1.849 ( 0.030 0.504 1.607) 1.684 1.888 ( 1.286 1.366 -3.396) 3.879 2.112 ( -5.753 2.321 -0.615) 6.234 2.170 ( 6.735 6.602 -6.474) 11.439 2.240 ( 0.138 -0.115 0.783) 0.803 2.337 ( -2.015 -4.591 3.967) 6.393 2.508 ( 4.202 -6.882 -2.747) 8.518 2.858 ( -1.631 3.531 0.450) 3.916 3.027 ( 5.120 3.360 -6.031) 8.595 3.285 ( -0.328 0.551 -2.976) 3.044 3.358 ( -2.181 -0.053 0.735) 2.302 3.458 ( 1.440 -0.189 -9.221) 9.335 3.527 ( -1.579 -1.371 -4.702) 5.146 3.720 ( -2.758 2.166 -8.086) 8.814 4.040 ( 4.184 -4.238 0.576) 5.983 4.370 ( 1.977 7.298 4.722) 8.915 4.813 ( -1.501 5.951 0.458) 6.155 5.001 ( -1.748 -0.872 4.366) 4.783 5.204 ( -4.808 1.776 -17.094) 17.846 5.901 ( 0.426 -1.408 -2.273) 2.708 6.227 ( -0.836 -1.671 -0.525) 1.941 6.320 ( -4.419 -2.774 -3.961) 6.551 6.511 ( 2.204 3.012 -13.745) 14.243 8.670 ( -3.317 -3.417 1.134) 4.895 9.302 ( 3.922 1.762 -4.405) 6.155 9.673 ( -0.302 -0.568 6.689) 6.720 9.968 ( -2.373 2.557 9.817) 10.419 10.224 ( -4.537 -2.723 3.603) 6.402 10.508 ( 4.056 6.081 2.136) 7.615 10.719 ( 3.006 -0.886 -2.141) 3.795 10.891 ( 3.122 3.178 5.703) 7.237 11.929 ( -0.305 2.697 1.524) 3.112 11.977 ( 0.113 -0.190 0.094) 0.241 12.298 ( 0.604 -7.765 4.953) 9.231 12.801 ( 3.021 -3.716 -2.521) 5.413 13.411 ( -1.779 2.494 -0.417) 3.092 13.798 ( 1.264 2.845 -3.081) 4.379 14.321 ( 0.190 -1.831 -0.483) 1.903 14.353 ( -0.003 -2.382 -0.518) 2.438 16.833 ( -0.573 -1.385 -0.373) 1.544 17.005 ( 1.007 -0.168 -2.335) 2.549 17.411 ( -2.068 -1.408 4.442) 5.099 17.543 ( 0.315 0.113 0.108) 0.352 18.030 ( -1.949 2.401 3.713) 4.833 18.309 ( -3.106 -3.250 -1.206) 4.654 23.407 ( -5.144 1.195 10.903) 12.115 23.422 ( -3.352 0.199 10.570) 11.090 25.296 ( 2.097 0.346 -3.725) 4.289 25.683 ( -3.630 -2.470 -2.594) 5.100 28.035 ( -0.155 3.237 0.035) 3.240 28.134 ( 0.570 -2.330 -1.309) 2.733 28.802 ( -2.097 -0.369 2.260) 3.104 29.083 ( 2.750 -0.736 -2.151) 3.569 29.290 ( -0.204 -5.462 3.161) 6.314 29.745 ( 1.803 -3.354 -2.210) 4.403 30.500 ( -1.060 -0.616 4.943) 5.093 31.147 ( -2.379 4.329 0.315) 4.949 31.694 ( 0.281 0.863 -8.115) 8.166 31.838 ( -4.926 1.515 -4.060) 6.561 32.441 ( -4.159 -0.832 3.766) 5.672 32.532 ( 14.675 4.176 -6.385) 16.539 101.125 ( 0.821 0.211 0.242) 0.881 101.215 ( 0.386 1.926 -3.975) 4.434 101.283 ( 0.720 -2.030 -1.792) 2.802 101.850 ( -5.694 2.713 -4.048) 7.495 ======================= Grid point 160 (81/165) ======================= q-point: (-0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.128 1.282 -2.835) 3.114 1.827 ( 1.642 4.907 -0.565) 5.205 1.885 ( 0.695 -0.779 -1.758) 2.045 1.932 ( -5.024 7.226 -0.082) 8.801 2.134 ( 1.254 2.348 -0.370) 2.687 2.223 ( -2.527 0.313 -1.427) 2.918 2.308 ( -5.969 1.273 -4.649) 7.672 2.716 ( 5.314 -9.132 0.451) 10.575 2.787 ( -0.289 2.284 0.235) 2.314 2.987 ( 1.201 2.691 -5.108) 5.897 3.254 ( -4.360 2.954 -2.013) 5.638 3.300 ( -1.016 4.566 -1.229) 4.837 3.350 ( -4.151 -0.753 -3.478) 5.468 3.529 ( 0.835 -1.596 -6.101) 6.361 3.661 ( 0.878 -0.060 -4.016) 4.111 4.158 ( 1.948 -2.976 -0.305) 3.570 4.239 ( -0.759 9.298 3.523) 9.972 4.680 ( -2.541 6.107 -1.968) 6.901 4.985 ( -1.530 4.103 -3.605) 5.672 5.067 ( -2.225 -2.449 -9.623) 10.176 5.933 ( 2.071 -1.202 -0.672) 2.487 6.261 ( 2.317 -2.258 -1.690) 3.650 6.321 ( -2.413 -2.347 -5.621) 6.552 6.448 ( 4.237 -1.093 -7.624) 8.790 8.726 ( -3.163 -6.760 1.570) 7.626 9.247 ( 1.289 6.057 -1.702) 6.422 9.744 ( -0.460 -4.221 5.098) 6.635 9.917 ( -1.746 6.196 6.378) 9.062 10.258 ( -4.010 -4.625 2.883) 6.766 10.465 ( 3.620 6.307 4.131) 8.363 10.698 ( 1.954 4.497 -2.976) 5.735 10.914 ( 3.387 2.975 5.928) 7.447 11.881 ( -0.752 2.952 1.324) 3.321 11.976 ( -0.225 0.286 -0.105) 0.379 12.501 ( 1.509 -12.042 3.624) 12.666 12.884 ( 2.897 -3.564 -2.775) 5.366 13.344 ( -1.130 2.474 -1.560) 3.135 13.712 ( -0.859 6.073 -2.986) 6.821 14.350 ( 3.678 -0.218 0.373) 3.703 14.418 ( -2.582 -6.411 -0.531) 6.932 16.858 ( 0.384 -2.226 -1.086) 2.506 17.008 ( 1.136 -0.209 -2.174) 2.462 17.444 ( -1.845 -1.873 4.675) 5.363 17.539 ( -0.372 0.627 0.553) 0.915 17.982 ( -2.856 2.474 4.160) 5.620 18.356 ( -0.398 -5.117 -0.889) 5.209 23.374 ( -6.802 1.886 11.705) 13.669 23.453 ( -1.650 0.518 9.291) 9.451 25.287 ( 0.339 0.445 -1.333) 1.446 25.702 ( -0.121 -4.758 -5.080) 6.961 27.986 ( -0.395 2.482 0.624) 2.590 28.161 ( 0.737 -1.261 -1.902) 2.398 28.803 ( -1.682 -0.795 1.953) 2.697 29.112 ( 3.017 -0.403 -2.259) 3.791 29.437 ( 0.936 -9.318 3.378) 9.955 29.812 ( 0.733 -4.427 -2.610) 5.191 30.538 ( -0.726 -1.254 6.302) 6.467 31.051 ( -1.073 4.554 0.464) 4.702 31.553 ( -4.447 6.061 -11.050) 13.365 31.790 ( 2.209 -0.908 -7.234) 7.618 32.375 ( -4.758 4.330 1.880) 6.702 32.605 ( 9.734 1.819 0.603) 9.921 101.128 ( 0.775 0.159 -1.070) 1.331 101.168 ( 0.484 1.518 -4.065) 4.366 101.331 ( 1.963 -2.689 0.518) 3.370 101.718 ( -5.138 3.436 -3.277) 6.996 ======================= Grid point 161 (82/165) ======================= q-point: (-0.25 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.782 -9.778 -0.150) 10.886 1.634 ( 1.387 16.032 -2.590) 16.299 1.867 ( -9.008 -5.211 -1.900) 10.579 1.901 ( 1.867 2.030 7.393) 7.891 2.103 ( -1.337 3.100 -2.304) 4.087 2.168 ( -2.764 1.544 -1.727) 3.606 2.233 ( 2.091 -3.024 -3.458) 5.047 2.736 ( 1.274 3.014 -1.420) 3.567 2.835 ( -7.317 5.545 -9.718) 13.369 2.870 ( 2.884 -2.490 -6.019) 7.124 3.180 ( -3.453 -1.982 4.381) 5.920 3.299 ( 1.943 -1.658 4.217) 4.930 3.331 ( -2.213 -1.588 -1.149) 2.956 3.512 ( 0.554 1.647 -2.340) 2.915 3.662 ( 2.664 0.565 -1.861) 3.298 3.965 ( -2.090 16.278 2.966) 16.678 4.313 ( -0.741 -7.831 -0.960) 7.925 4.561 ( 0.164 5.301 -2.258) 5.764 4.862 ( -2.102 1.442 -8.909) 9.267 5.087 ( 0.814 -3.280 -2.605) 4.267 5.967 ( 1.904 -0.846 0.306) 2.106 6.268 ( -2.230 0.636 -4.649) 5.195 6.321 ( 2.383 -2.548 -1.235) 3.701 6.550 ( 4.896 -6.948 -4.125) 9.448 8.835 ( -2.778 -9.121 2.283) 9.804 9.131 ( -0.292 8.337 1.417) 8.461 9.822 ( -0.181 5.314 2.801) 6.009 9.837 ( -1.584 -3.722 2.696) 4.861 10.310 ( -2.747 -4.064 1.961) 5.283 10.423 ( 2.745 6.346 4.923) 8.488 10.621 ( 0.907 3.731 -2.671) 4.677 10.902 ( 1.104 4.683 2.772) 5.553 11.847 ( -0.515 1.213 1.636) 2.100 11.961 ( -0.606 0.766 -0.653) 1.175 12.732 ( 1.892 -11.734 0.422) 11.893 12.916 ( 2.464 1.540 -3.650) 4.665 13.309 ( 0.738 0.261 -0.795) 1.115 13.565 ( -2.400 7.144 -2.433) 7.919 14.409 ( 4.961 0.051 2.078) 5.379 14.481 ( -4.068 -6.150 -1.706) 7.569 16.896 ( 1.426 -2.032 -1.844) 3.092 17.010 ( 1.246 0.018 -2.290) 2.607 17.478 ( -1.338 -1.311 4.135) 4.540 17.521 ( -0.895 1.316 1.152) 1.965 17.951 ( -2.994 0.604 5.144) 5.982 18.440 ( 0.859 -4.912 -0.741) 5.041 23.335 ( -5.520 2.360 10.349) 11.964 23.474 ( -3.545 -0.053 9.623) 10.256 25.281 ( -0.142 0.028 0.507) 0.527 25.765 ( 2.067 -5.156 -6.268) 8.375 27.955 ( -0.593 1.291 0.955) 1.711 28.172 ( 1.031 -0.474 -2.198) 2.473 28.813 ( -1.301 -1.048 1.756) 2.424 29.132 ( 2.621 0.112 -2.623) 3.710 29.617 ( 1.620 -7.816 2.113) 8.257 29.860 ( 0.510 -2.266 -2.822) 3.655 30.584 ( -1.587 -0.625 7.285) 7.482 31.013 ( 1.371 -0.455 0.368) 1.491 31.330 ( -4.622 7.225 -9.209) 12.584 31.809 ( 6.064 -1.931 -10.613) 12.375 32.250 ( -6.758 5.005 4.749) 9.658 32.662 ( 5.524 2.048 0.731) 5.937 101.116 ( 0.896 1.406 -2.658) 3.138 101.146 ( 0.758 -0.878 -3.225) 3.428 101.415 ( 1.537 -3.609 3.012) 4.946 101.609 ( -3.692 1.738 -1.635) 4.396 ======================= Grid point 162 (83/165) ======================= q-point: (-0.12 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.237 11.643 -3.414) 12.136 1.722 ( 0.774 -7.524 4.173) 8.638 1.829 ( -4.910 1.398 4.714) 6.949 1.952 ( 0.697 -2.470 4.109) 4.844 2.060 ( -0.850 -3.721 -5.261) 6.500 2.120 ( 3.911 3.400 1.257) 5.333 2.362 ( 4.831 -7.007 -2.392) 8.841 2.600 ( 1.067 7.153 -6.883) 9.984 2.738 ( -0.462 -1.551 -2.900) 3.321 2.886 ( 2.147 -1.057 -4.174) 4.812 3.161 ( -3.974 -1.169 -1.170) 4.305 3.320 ( -1.100 0.074 0.735) 1.325 3.429 ( -0.014 -1.794 7.312) 7.528 3.477 ( 0.569 1.803 1.547) 2.443 3.650 ( 0.954 5.125 0.618) 5.250 3.772 ( 2.661 4.203 3.073) 5.847 4.354 ( -0.630 2.837 -2.590) 3.893 4.521 ( 2.521 -1.343 -0.691) 2.939 4.821 ( -2.927 -4.819 -7.005) 8.992 5.159 ( 2.550 -4.627 -0.366) 5.296 6.030 ( 2.558 -4.875 -0.477) 5.526 6.215 ( -4.346 -0.591 -2.118) 4.871 6.372 ( 1.383 -1.608 -0.084) 2.122 6.677 ( 2.824 -5.129 -3.533) 6.838 8.966 ( -1.620 -3.205 2.716) 4.503 9.009 ( -1.673 1.984 3.067) 4.017 9.740 ( 2.171 6.976 2.064) 7.592 9.890 ( -2.898 -4.157 -1.270) 5.224 10.333 ( 0.023 1.284 0.900) 1.568 10.382 ( 0.226 3.370 6.327) 7.172 10.594 ( -0.145 -2.037 -2.998) 3.627 10.828 ( -1.156 4.759 -0.249) 4.904 11.844 ( -0.641 -0.084 1.512) 1.644 11.937 ( -0.264 0.628 -0.933) 1.156 12.810 ( 0.689 7.216 -4.114) 8.335 12.918 ( 2.130 -4.947 -3.190) 6.259 13.351 ( 2.159 -3.374 0.314) 4.018 13.436 ( -0.978 4.209 -0.930) 4.420 14.459 ( 3.701 1.729 2.911) 5.016 14.506 ( -4.550 -3.988 -2.493) 6.544 16.927 ( 1.672 -0.776 -1.972) 2.700 17.007 ( 1.340 0.257 -2.742) 3.062 17.491 ( -0.940 0.917 1.142) 1.741 17.507 ( -0.625 0.224 3.909) 3.965 17.955 ( -3.087 -1.140 5.844) 6.707 18.507 ( -0.092 -3.108 -1.420) 3.419 23.298 ( -4.033 2.272 8.623) 9.787 23.490 ( -6.153 -1.489 10.274) 12.068 25.287 ( 0.181 -0.019 1.186) 1.200 25.828 ( 2.236 -3.685 -6.004) 7.391 27.943 ( -0.709 -0.039 0.961) 1.195 28.176 ( 1.358 0.019 -2.143) 2.537 28.826 ( -1.152 -0.922 1.777) 2.309 29.134 ( 1.867 0.544 -3.073) 3.637 29.689 ( -0.610 0.995 -1.374) 1.803 29.870 ( 2.161 0.892 -2.012) 3.085 30.593 ( -3.639 0.676 6.321) 7.325 31.107 ( 3.419 -3.717 -0.700) 5.099 31.167 ( -1.611 -0.215 -2.508) 2.988 31.862 ( 9.650 -2.217 -12.325) 15.810 32.143 ( -8.454 1.693 6.681) 10.908 32.661 ( 2.173 3.030 -0.400) 3.750 101.089 ( 0.531 0.740 -2.526) 2.685 101.161 ( 1.675 -1.324 -3.066) 3.737 101.456 ( -4.214 -0.560 2.012) 4.703 101.631 ( 2.145 -6.054 2.172) 6.780 ======================= Grid point 167 (84/165) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.021 0.000 -0.443) 8.033 1.795 ( -6.400 0.000 -1.961) 6.693 1.919 ( 1.264 -0.000 -1.428) 1.907 2.082 ( -3.144 0.000 2.849) 4.243 2.155 ( -9.376 0.000 2.312) 9.657 2.295 ( 9.515 -0.000 -6.040) 11.270 2.366 ( 3.199 -0.000 -1.459) 3.516 2.459 ( 2.912 -0.000 -1.669) 3.356 2.892 ( 0.227 -0.000 2.077) 2.089 3.097 ( 6.441 -0.000 -5.948) 8.767 3.254 ( 0.173 -0.000 -6.446) 6.449 3.342 ( -1.346 0.000 1.667) 2.143 3.385 ( -13.554 0.000 -8.770) 16.144 3.412 ( -0.606 0.000 -6.603) 6.630 3.663 ( -2.170 0.000 -6.744) 7.084 4.042 ( 2.086 -0.000 -0.471) 2.138 4.493 ( 2.656 -0.000 5.640) 6.234 4.793 ( -8.173 0.000 -10.589) 13.377 4.959 ( -3.703 0.000 -0.053) 3.704 5.108 ( -1.414 0.000 -8.956) 9.067 5.905 ( 4.776 -0.000 -1.937) 5.153 6.208 ( 0.851 -0.000 0.030) 0.851 6.241 ( -1.647 0.000 -3.893) 4.227 6.493 ( 6.503 -0.000 -17.685) 18.843 8.609 ( -3.592 0.000 1.032) 3.737 9.331 ( 4.050 -0.000 -5.732) 7.018 9.700 ( -1.318 0.000 6.970) 7.094 10.026 ( -4.231 0.000 14.361) 14.971 10.177 ( -3.205 0.000 2.883) 4.310 10.657 ( 7.049 -0.000 3.170) 7.729 10.711 ( 1.850 -0.000 -1.494) 2.377 10.984 ( 3.267 -0.000 5.840) 6.692 11.959 ( -0.561 0.000 0.571) 0.801 11.972 ( 0.164 -0.000 -0.175) 0.240 12.268 ( 0.199 -0.000 6.569) 6.572 12.784 ( 2.627 -0.000 -2.646) 3.728 13.402 ( -3.699 0.000 0.322) 3.713 13.820 ( 1.654 -0.000 -3.468) 3.843 14.279 ( -1.328 0.000 -0.966) 1.642 14.359 ( 2.702 -0.000 -0.979) 2.874 16.814 ( -0.634 0.000 0.131) 0.648 17.003 ( 1.002 -0.000 -1.896) 2.144 17.408 ( -1.376 0.000 5.125) 5.306 17.547 ( 0.043 -0.000 0.066) 0.079 18.064 ( -0.631 0.000 3.494) 3.551 18.225 ( -4.257 0.000 -1.790) 4.618 23.410 ( -7.264 0.000 13.444) 15.281 23.466 ( -1.243 0.000 9.396) 9.478 25.307 ( 2.758 -0.000 -3.714) 4.626 25.605 ( -3.285 0.000 -3.087) 4.508 28.069 ( -0.661 0.000 -0.776) 1.019 28.104 ( 0.877 -0.000 -0.433) 0.978 28.790 ( -1.895 0.000 2.224) 2.922 29.098 ( 3.399 -0.000 -1.830) 3.861 29.262 ( -0.173 0.000 3.894) 3.898 29.717 ( 0.679 -0.000 -2.585) 2.673 30.517 ( -0.411 0.000 5.741) 5.755 31.161 ( -1.942 0.000 0.194) 1.952 31.645 ( -2.510 0.000 -7.921) 8.309 31.774 ( -3.235 0.000 -6.382) 7.155 32.414 ( -4.156 0.000 3.585) 5.488 32.687 ( 14.363 -0.000 -6.205) 15.646 101.126 ( 0.019 -0.000 -1.762) 1.762 101.236 ( 2.450 -0.000 -7.515) 7.905 101.254 ( 0.372 -0.000 2.960) 2.983 101.782 ( -5.732 0.000 -5.419) 7.888 ======================= Grid point 168 (85/165) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -8.336 1.084 -1.580) 8.554 1.694 ( -13.616 -2.727 -2.852) 14.176 1.927 ( 2.198 0.036 -2.829) 3.583 2.034 ( -1.464 4.584 3.522) 5.963 2.119 ( -4.755 -1.561 3.779) 6.272 2.266 ( 4.559 8.273 -2.297) 9.721 2.331 ( 1.327 2.895 -5.830) 6.643 2.598 ( 4.148 -9.947 0.056) 10.777 2.869 ( 0.844 4.796 1.166) 5.007 3.013 ( -8.716 5.678 -7.701) 12.943 3.187 ( -8.232 -0.093 -5.633) 9.975 3.240 ( -0.776 -1.960 -4.291) 4.781 3.332 ( -1.736 1.366 1.549) 2.698 3.430 ( 0.202 -6.026 -8.464) 10.392 3.631 ( 0.308 -1.387 -3.059) 3.373 4.079 ( 0.087 -4.034 -1.397) 4.270 4.443 ( -2.668 10.130 2.668) 10.810 4.612 ( -7.642 -0.353 -13.789) 15.769 4.943 ( -3.404 -3.679 -4.049) 6.444 5.045 ( 0.880 4.464 -1.161) 4.696 5.967 ( 6.817 0.133 -0.600) 6.845 6.234 ( 1.588 -1.771 -2.446) 3.412 6.258 ( 3.568 -3.087 -2.300) 5.249 6.453 ( 7.911 2.082 -17.243) 19.085 8.611 ( -3.401 -3.893 1.887) 5.503 9.317 ( 2.779 2.461 -5.682) 6.788 9.727 ( -2.154 -0.921 7.247) 7.616 10.024 ( -4.298 4.064 12.331) 13.677 10.181 ( -2.421 -1.923 2.865) 4.215 10.645 ( 4.160 6.457 2.941) 8.225 10.760 ( 3.327 1.510 -0.639) 3.709 11.033 ( 3.726 2.473 5.440) 7.042 11.927 ( -0.768 2.681 0.507) 2.835 11.976 ( -0.048 -0.012 -0.284) 0.288 12.372 ( 0.188 -7.638 5.773) 9.576 12.832 ( 2.874 -4.172 -3.447) 6.128 13.348 ( -3.725 1.264 0.643) 3.986 13.780 ( 0.740 4.497 -3.580) 5.795 14.286 ( -2.470 -3.815 -1.571) 4.809 14.399 ( 4.488 -0.810 -0.098) 4.561 16.824 ( 0.056 -1.714 -0.132) 1.720 17.006 ( 1.107 -0.150 -1.546) 1.907 17.436 ( -0.622 -0.927 5.768) 5.875 17.544 ( -0.445 0.204 0.280) 0.564 18.026 ( -2.197 3.943 3.016) 5.428 18.241 ( -2.019 -6.392 -1.245) 6.818 23.406 ( -5.617 1.531 13.734) 14.917 23.491 ( -3.189 0.536 9.601) 10.131 25.305 ( 1.795 1.187 -1.543) 2.648 25.597 ( -0.049 -4.070 -4.795) 6.289 28.028 ( -0.387 2.719 0.004) 2.746 28.133 ( 0.520 -1.870 -1.139) 2.251 28.787 ( -1.436 -0.406 2.078) 2.559 29.131 ( 3.632 -0.358 -2.164) 4.243 29.335 ( 0.327 -6.171 4.365) 7.566 29.730 ( -0.531 -3.374 -3.037) 4.571 30.555 ( -0.199 -0.645 6.858) 6.891 31.114 ( -0.907 3.687 0.627) 3.848 31.535 ( -3.484 3.772 -9.319) 10.640 31.724 ( -0.930 -2.060 -8.117) 8.426 32.371 ( -5.596 1.528 2.523) 6.326 32.772 ( 12.263 3.404 -3.786) 13.278 101.115 ( 0.293 -0.402 -2.887) 2.929 101.190 ( 1.447 2.319 -5.738) 6.356 101.313 ( 1.681 -2.606 2.702) 4.113 101.675 ( -5.620 1.528 -5.755) 8.188 ======================= Grid point 169 (86/165) ======================= q-point: (-0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -4.746 -7.774 1.071) 9.171 1.592 ( -15.473 -6.574 -3.025) 17.082 1.859 ( 0.920 7.957 -5.194) 9.546 2.004 ( 2.040 3.265 5.929) 7.069 2.099 ( -4.401 1.399 0.549) 4.650 2.168 ( 1.580 3.480 2.483) 4.558 2.301 ( 6.906 2.212 -3.307) 7.970 2.711 ( -13.770 -0.253 -4.327) 14.436 2.797 ( 0.224 -5.105 -3.163) 6.010 2.819 ( 0.478 4.932 -4.081) 6.419 3.125 ( -2.552 -0.614 -3.999) 4.783 3.252 ( -1.355 -3.361 -0.209) 3.629 3.306 ( -0.897 -0.321 1.897) 2.123 3.470 ( -0.512 -3.654 -5.265) 6.429 3.664 ( 1.765 -1.861 -1.425) 2.934 4.154 ( -1.629 -2.165 -3.572) 4.483 4.211 ( -5.977 6.631 1.872) 9.121 4.496 ( -3.905 -0.476 -9.535) 10.315 4.916 ( 0.821 4.196 -3.749) 5.686 5.007 ( -0.463 -2.080 -1.090) 2.393 6.013 ( 5.106 2.055 0.174) 5.507 6.265 ( 3.698 0.785 -6.148) 7.217 6.317 ( 4.587 0.347 -3.418) 5.731 6.463 ( 4.861 -5.930 -7.550) 10.761 8.682 ( -3.160 -7.320 2.963) 8.506 9.248 ( 1.428 5.576 -3.022) 6.501 9.763 ( -3.199 -2.408 5.303) 6.645 9.949 ( -2.669 6.376 7.308) 10.059 10.219 ( -2.491 -4.046 2.522) 5.379 10.603 ( 3.797 6.555 4.722) 8.926 10.708 ( 1.581 6.466 -1.551) 6.834 11.021 ( 1.789 5.923 2.362) 6.623 11.880 ( -0.586 2.358 1.459) 2.834 11.966 ( -0.177 0.746 -0.487) 0.908 12.560 ( 0.238 -11.542 2.914) 11.907 12.912 ( 3.908 -2.993 -5.781) 7.593 13.319 ( -0.917 -0.301 2.694) 2.861 13.654 ( -0.799 7.968 -3.430) 8.711 14.319 ( -3.940 -5.449 -2.066) 7.034 14.476 ( 5.715 -1.204 1.198) 5.962 16.865 ( 1.415 -2.580 -1.086) 3.137 17.011 ( 1.168 -0.034 -1.640) 2.014 17.479 ( -0.252 -0.672 5.053) 5.103 17.535 ( -0.541 0.543 1.287) 1.498 17.965 ( -2.990 2.102 4.017) 5.431 18.334 ( -0.905 -7.043 -1.404) 7.238 23.391 ( -4.095 3.167 12.761) 13.771 23.489 ( -5.284 0.709 9.709) 11.077 25.302 ( 1.644 0.982 0.986) 2.154 25.668 ( 3.099 -5.710 -5.953) 8.812 27.984 ( -0.424 2.323 0.649) 2.449 28.156 ( 0.658 -1.268 -1.751) 2.260 28.796 ( -0.903 -0.778 1.933) 2.271 29.153 ( 3.060 0.436 -2.579) 4.026 29.507 ( 1.920 -9.695 3.436) 10.464 29.774 ( -1.142 -5.083 -3.230) 6.130 30.605 ( -0.790 -0.566 7.807) 7.868 31.051 ( 0.657 3.153 0.411) 3.247 31.360 ( -2.729 6.941 -8.354) 11.199 31.726 ( 0.671 -4.510 -10.422) 11.375 32.272 ( -6.503 3.967 2.636) 8.061 32.797 ( 7.976 4.942 -1.597) 9.518 101.117 ( 1.065 -0.839 -3.221) 3.494 101.136 ( 0.707 1.673 -4.929) 5.253 101.393 ( 0.865 -2.787 3.746) 4.748 101.566 ( -4.784 0.715 -4.355) 6.508 ======================= Grid point 170 (87/165) ======================= q-point: (-0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -5.798 -1.673 -4.713) 7.657 1.551 ( -10.252 -8.622 -2.967) 13.720 1.777 ( -1.325 -2.124 3.536) 4.332 1.991 ( 1.843 5.176 3.068) 6.293 2.029 ( 1.816 0.635 -0.022) 1.924 2.236 ( 3.899 -3.076 6.619) 8.275 2.356 ( 7.471 0.749 -0.622) 7.534 2.588 ( -9.223 -3.960 0.169) 10.039 2.721 ( 0.733 2.710 -4.243) 5.088 2.842 ( 1.087 -1.532 -6.288) 6.562 3.064 ( -3.730 -0.809 -7.458) 8.378 3.283 ( -2.649 -1.840 1.650) 3.623 3.398 ( 3.506 -5.048 1.797) 6.403 3.487 ( -1.124 -2.471 -1.022) 2.901 3.698 ( -0.148 -0.190 0.633) 0.677 3.926 ( -4.870 10.538 2.379) 11.851 4.289 ( 0.670 -6.234 -2.288) 6.674 4.448 ( -2.977 -4.441 -7.812) 9.466 4.826 ( 2.413 6.574 0.415) 7.015 5.069 ( 0.638 -6.498 -3.318) 7.324 6.021 ( 2.880 1.329 -1.153) 3.375 6.203 ( 0.837 3.609 -4.426) 5.772 6.363 ( 2.231 -1.827 0.016) 2.884 6.593 ( 3.578 -6.206 -4.304) 8.357 8.807 ( -2.978 -9.556 3.689) 10.667 9.139 ( 0.154 7.834 0.483) 7.851 9.788 ( -4.262 -2.918 1.931) 5.514 9.873 ( 0.692 4.933 3.080) 5.856 10.281 ( -1.992 -4.694 1.578) 5.338 10.543 ( 1.325 9.278 5.446) 10.840 10.616 ( 1.995 3.663 -1.791) 4.539 10.913 ( -1.069 7.528 -0.706) 7.636 11.857 ( -0.430 1.248 1.644) 2.109 11.947 ( 0.246 1.010 -0.403) 1.115 12.754 ( 0.611 -10.017 -0.800) 10.068 12.922 ( 3.290 2.138 -6.490) 7.584 13.359 ( 1.786 -0.452 3.844) 4.263 13.502 ( -0.403 6.263 -2.532) 6.767 14.349 ( -4.576 -5.223 -2.558) 7.400 14.554 ( 5.145 0.454 2.196) 5.613 16.916 ( 2.289 -1.909 -1.848) 3.507 17.010 ( 1.066 0.347 -2.271) 2.533 17.493 ( -0.941 0.127 1.554) 1.821 17.541 ( 0.186 0.866 4.574) 4.659 17.941 ( -3.248 0.044 5.193) 6.125 18.415 ( -1.592 -5.518 -2.007) 6.083 23.360 ( -3.046 3.739 10.481) 11.537 23.469 ( -7.107 0.223 10.016) 12.283 25.315 ( 1.570 0.995 2.276) 2.939 25.762 ( 4.634 -4.445 -6.135) 8.881 27.953 ( -0.489 1.392 0.947) 1.753 28.170 ( 0.961 -0.821 -2.064) 2.420 28.813 ( -0.548 -0.831 1.874) 2.122 29.153 ( 2.123 1.065 -2.870) 3.726 29.665 ( 1.631 -4.195 -0.256) 4.508 29.833 ( -0.105 -4.920 -2.153) 5.371 30.616 ( -3.048 2.002 6.599) 7.540 31.087 ( 5.338 -4.556 0.826) 7.067 31.184 ( -1.748 6.674 -4.446) 8.208 31.765 ( 1.403 -6.721 -12.568) 14.321 32.154 ( -5.476 4.254 3.491) 7.763 32.765 ( 2.919 5.606 0.465) 6.337 101.090 ( 0.185 0.855 -3.296) 3.410 101.141 ( 2.099 -1.482 -3.088) 4.018 101.414 ( -4.101 -0.061 0.922) 4.203 101.561 ( -0.047 -4.842 1.117) 4.969 ======================= Grid point 176 (88/165) ======================= q-point: (-0.38 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -13.547 0.000 1.012) 13.585 1.470 ( -19.584 0.000 -2.673) 19.765 1.932 ( 3.003 -0.000 -3.758) 4.810 2.062 ( -2.460 0.000 2.771) 3.706 2.121 ( -0.714 0.000 6.593) 6.632 2.322 ( -0.344 0.000 -4.653) 4.666 2.445 ( 7.211 -0.000 -0.516) 7.229 2.503 ( 2.279 -0.000 0.130) 2.283 2.768 ( -29.459 0.000 -7.359) 30.365 2.935 ( 0.627 -0.000 1.615) 1.732 3.148 ( -0.883 0.000 -5.550) 5.620 3.236 ( 4.938 -0.000 -4.877) 6.941 3.283 ( -1.832 0.000 -9.471) 9.646 3.339 ( -2.458 0.000 2.393) 3.430 3.607 ( 0.551 -0.000 -1.105) 1.235 4.019 ( -2.603 0.000 -3.428) 4.305 4.358 ( -10.453 0.000 -20.067) 22.627 4.570 ( -0.914 0.000 2.991) 3.127 4.852 ( -4.177 0.000 -1.307) 4.377 5.095 ( 0.991 -0.000 1.010) 1.415 6.066 ( 10.552 -0.000 -0.128) 10.553 6.237 ( 4.648 -0.000 -3.019) 5.542 6.259 ( 3.565 -0.000 -0.776) 3.648 6.473 ( 11.910 -0.000 -22.956) 25.862 8.557 ( -3.310 0.000 3.043) 4.496 9.328 ( 2.888 -0.000 -7.513) 8.049 9.733 ( -3.282 0.000 7.182) 7.896 10.076 ( -5.360 0.000 13.367) 14.401 10.180 ( -0.634 0.000 3.983) 4.033 10.716 ( 0.515 -0.000 -1.510) 1.596 10.855 ( 7.202 -0.000 3.534) 8.022 11.119 ( 3.464 -0.000 3.967) 5.267 11.942 ( -0.884 0.000 -0.298) 0.933 11.975 ( 0.314 -0.000 -0.123) 0.337 12.340 ( -0.554 0.000 6.144) 6.169 12.791 ( 1.446 -0.000 -4.066) 4.316 13.314 ( -5.278 0.000 2.102) 5.681 13.816 ( 1.669 -0.000 -3.692) 4.051 14.222 ( -2.051 0.000 -2.065) 2.910 14.436 ( 4.785 -0.000 -0.296) 4.794 16.809 ( -0.043 0.000 0.403) 0.405 17.009 ( 1.184 -0.000 -1.164) 1.660 17.466 ( 0.719 -0.000 6.902) 6.939 17.540 ( -0.750 0.000 0.202) 0.777 18.093 ( -0.326 0.000 3.275) 3.292 18.113 ( -4.224 0.000 -1.550) 4.500 23.458 ( -2.982 0.000 16.361) 16.631 23.504 ( -5.468 0.000 9.556) 11.010 25.333 ( 1.842 -0.000 -0.097) 1.844 25.540 ( 1.951 -0.000 -5.048) 5.412 28.050 ( -0.316 0.000 -0.617) 0.693 28.113 ( 0.323 -0.000 -0.360) 0.483 28.784 ( -0.876 0.000 2.188) 2.357 29.152 ( 3.429 -0.000 -2.377) 4.173 29.308 ( -0.182 0.000 4.676) 4.679 29.670 ( -1.784 0.000 -3.555) 3.978 30.589 ( -0.185 0.000 7.643) 7.645 31.148 ( 0.097 -0.000 1.455) 1.458 31.487 ( -2.375 0.000 -9.068) 9.374 31.636 ( -2.073 0.000 -9.421) 9.646 32.337 ( -5.565 0.000 1.521) 5.769 32.904 ( 11.283 -0.000 -4.963) 12.326 101.099 ( 0.745 -0.000 -3.417) 3.497 101.184 ( 1.246 -0.000 -8.760) 8.848 101.332 ( 1.479 -0.000 5.870) 6.054 101.588 ( -6.056 0.000 -7.004) 9.259 ======================= Grid point 177 (89/165) ======================= q-point: (-0.25 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -12.789 -5.496 4.876) 14.749 1.294 ( -19.407 -5.606 1.837) 20.284 1.909 ( 0.724 3.347 -6.312) 7.181 2.068 ( -0.133 -0.616 4.409) 4.454 2.107 ( -2.757 2.562 1.797) 4.171 2.322 ( 0.201 -0.050 2.523) 2.531 2.359 ( 0.673 9.321 -1.321) 9.438 2.427 ( -21.472 -4.681 -1.228) 22.011 2.699 ( 3.491 -7.914 -0.363) 8.658 2.901 ( 1.174 4.627 -1.347) 4.960 3.077 ( -1.693 1.778 -8.049) 8.415 3.193 ( -1.122 -1.986 -2.604) 3.462 3.293 ( -2.674 0.359 -1.108) 2.917 3.363 ( 0.609 -5.276 -2.581) 5.905 3.640 ( 1.200 -2.166 1.092) 2.707 3.986 ( -5.360 -5.734 -11.810) 14.180 4.176 ( -4.920 0.895 -6.824) 8.461 4.510 ( -2.267 5.161 -1.148) 5.752 4.845 ( -2.679 -3.658 0.103) 4.535 5.076 ( 0.939 4.105 1.237) 4.389 6.141 ( 8.681 4.074 0.360) 9.596 6.280 ( 5.037 -0.790 -2.706) 5.773 6.365 ( 7.527 -5.995 -2.340) 9.903 6.416 ( 7.448 4.998 -19.794) 21.731 8.575 ( -3.247 -3.936 4.243) 6.636 9.302 ( 2.689 1.850 -6.934) 7.664 9.737 ( -4.076 -0.604 6.188) 7.434 10.061 ( -4.462 5.080 11.472) 13.316 10.175 ( -1.474 0.059 2.023) 2.504 10.700 ( 0.863 1.569 -0.477) 1.854 10.871 ( 4.300 7.900 2.389) 9.306 11.139 ( 2.345 3.993 0.891) 4.715 11.917 ( -0.615 1.756 0.819) 2.033 11.975 ( 0.304 0.462 -0.246) 0.605 12.416 ( -1.414 -6.909 3.845) 8.032 12.840 ( 3.018 -5.827 -6.569) 9.285 13.295 ( -3.320 -2.406 4.386) 6.003 13.757 ( 1.027 6.360 -3.702) 7.430 14.210 ( -2.237 -2.397 -1.667) 3.678 14.508 ( 5.143 -2.231 0.117) 5.608 16.833 ( 0.930 -2.270 -0.153) 2.458 17.016 ( 1.186 0.016 -1.401) 1.836 17.507 ( 0.155 0.860 3.866) 3.963 17.543 ( 0.464 -0.721 3.057) 3.175 18.003 ( -2.755 3.861 3.203) 5.723 18.196 ( -1.605 -7.032 0.338) 7.220 23.480 ( -6.887 0.933 9.627) 11.873 23.512 ( -0.601 3.591 17.240) 17.621 25.349 ( 1.650 0.845 2.822) 3.376 25.591 ( 5.266 -4.836 -5.699) 9.143 28.022 ( -0.148 2.272 0.116) 2.280 28.129 ( 0.204 -1.529 -1.018) 1.848 28.792 ( -0.253 -0.279 2.208) 2.240 29.174 ( 2.914 -0.072 -2.952) 4.148 29.397 ( 0.964 -7.688 4.104) 8.768 29.658 ( -2.413 -3.871 -3.696) 5.871 30.634 ( -0.654 -0.470 8.426) 8.465 31.125 ( 0.704 4.222 1.064) 4.410 31.384 ( -1.246 3.517 -8.631) 9.403 31.589 ( -1.946 -3.502 -10.397) 11.142 32.265 ( -5.856 1.975 0.916) 6.248 32.947 ( 7.914 4.369 -4.027) 9.896 101.097 ( 1.387 -0.760 -3.490) 3.832 101.133 ( 0.319 1.163 -7.205) 7.305 101.392 ( 0.432 -1.180 5.476) 5.618 101.485 ( -5.537 -0.359 -5.319) 7.687 ======================= Grid point 178 (90/165) ======================= q-point: (-0.12 -0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -14.786 -10.198 1.730) 18.045 1.293 ( -11.587 -9.875 7.497) 16.970 1.800 ( 1.529 5.262 -6.537) 8.530 2.022 ( -4.302 -0.788 0.111) 4.375 2.120 ( 2.105 -0.782 4.095) 4.670 2.250 ( -10.026 -5.019 6.447) 12.933 2.336 ( 1.512 0.109 7.018) 7.180 2.468 ( 2.625 -4.031 1.153) 4.947 2.723 ( -4.265 3.761 -2.256) 6.118 2.844 ( 5.277 2.088 -7.924) 9.746 2.993 ( -0.502 0.585 -10.009) 10.038 3.214 ( -4.803 -2.972 -0.138) 5.650 3.335 ( 2.411 -7.543 -0.403) 7.929 3.419 ( -0.394 -2.670 -0.594) 2.763 3.673 ( -2.421 -0.707 -0.323) 2.543 3.934 ( -3.469 -2.017 -7.436) 8.450 4.182 ( 0.363 -4.707 0.574) 4.755 4.386 ( -3.165 3.543 -1.584) 5.008 4.905 ( 1.148 -3.721 0.177) 3.898 5.015 ( 0.915 4.036 0.899) 4.235 6.118 ( 3.878 6.954 -3.567) 8.724 6.260 ( 2.975 3.819 -9.635) 10.783 6.369 ( 3.229 -0.979 0.693) 3.445 6.530 ( 6.895 -5.194 -2.670) 9.036 8.658 ( -3.174 -7.335 4.915) 9.382 9.246 ( 1.978 4.620 -3.733) 6.260 9.729 ( -4.866 -0.572 4.232) 6.474 9.963 ( -2.723 5.541 5.312) 8.145 10.200 ( -1.747 -3.443 1.924) 4.314 10.678 ( 1.071 2.674 -2.243) 3.651 10.749 ( 0.807 10.575 4.326) 11.454 11.034 ( -0.689 8.933 -1.857) 9.150 11.890 ( -0.271 1.930 1.546) 2.488 11.966 ( 0.578 0.835 -0.180) 1.032 12.571 ( -1.138 -11.613 0.865) 11.700 12.912 ( 4.285 -2.963 -9.421) 10.766 13.375 ( 1.100 -3.753 5.002) 6.349 13.611 ( 0.428 9.078 -3.462) 9.726 14.230 ( -1.888 -3.515 -0.966) 4.105 14.602 ( 4.633 -2.045 0.680) 5.110 16.891 ( 2.271 -2.926 -1.502) 3.996 17.015 ( 0.978 0.354 -2.204) 2.437 17.495 ( -1.148 0.594 1.105) 1.701 17.583 ( 0.684 0.424 4.349) 4.422 17.954 ( -2.515 2.055 5.606) 6.479 18.290 ( -1.562 -6.379 0.064) 6.568 23.436 ( -7.942 0.928 8.892) 11.959 23.507 ( -0.779 7.227 15.265) 16.908 25.368 ( 0.695 1.326 4.432) 4.678 25.722 ( 8.881 -5.018 -6.333) 12.006 27.985 ( -0.191 2.270 0.742) 2.396 28.149 ( 0.472 -1.418 -1.691) 2.256 28.811 ( 0.138 -0.477 2.117) 2.174 29.176 ( 1.985 0.954 -3.003) 3.724 29.586 ( 3.268 -8.477 -0.354) 9.092 29.708 ( -1.331 -7.307 -2.275) 7.768 30.660 ( -2.497 1.957 7.457) 8.104 31.093 ( 3.574 -0.678 -0.151) 3.641 31.265 ( 0.335 6.146 -4.237) 7.473 31.583 ( -2.098 -5.810 -12.046) 13.538 32.173 ( -4.549 2.694 1.209) 5.424 32.894 ( 1.916 6.652 -0.322) 6.930 101.082 ( 0.106 0.487 -3.838) 3.870 101.125 ( 2.532 -1.532 -2.396) 3.807 101.373 ( -4.430 0.294 -0.913) 4.533 101.498 ( -0.445 -3.692 3.453) 5.075 ======================= Grid point 185 (91/165) ======================= q-point: (-0.25 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -16.142 0.000 10.658) 19.343 1.068 ( -18.592 0.000 11.564) 21.895 1.867 ( -15.711 0.000 -2.423) 15.897 2.041 ( -16.243 0.000 -1.982) 16.363 2.103 ( -4.432 0.000 9.584) 10.560 2.109 ( -2.468 0.000 0.614) 2.544 2.326 ( 0.856 -0.000 -1.273) 1.534 2.591 ( 3.677 -0.000 4.258) 5.626 2.625 ( 8.203 -0.000 -0.919) 8.254 2.927 ( 0.279 -0.000 -3.652) 3.663 3.045 ( -2.292 0.000 -4.332) 4.901 3.132 ( -5.762 0.000 -2.013) 6.103 3.280 ( 3.458 -0.000 -4.627) 5.776 3.296 ( -1.235 0.000 -1.921) 2.284 3.655 ( 2.124 -0.000 4.282) 4.780 3.785 ( -5.394 0.000 -17.161) 17.988 4.142 ( 0.724 -0.000 0.290) 0.780 4.493 ( -4.158 0.000 -6.478) 7.697 4.823 ( -1.086 0.000 9.198) 9.262 5.121 ( 0.204 -0.000 0.833) 0.858 6.299 ( 9.683 -0.000 1.030) 9.738 6.308 ( 3.626 -0.000 -7.939) 8.728 6.354 ( 8.225 -0.000 -1.981) 8.460 6.433 ( 6.113 -0.000 -19.046) 20.003 8.536 ( -3.207 0.000 5.556) 6.415 9.302 ( 3.163 -0.000 -8.055) 8.653 9.717 ( -4.651 0.000 5.171) 6.955 10.118 ( -2.507 0.000 9.325) 9.656 10.191 ( -2.324 0.000 1.547) 2.792 10.707 ( -0.212 0.000 -0.905) 0.929 11.011 ( 4.690 -0.000 0.001) 4.690 11.190 ( 1.481 -0.000 -1.475) 2.090 11.926 ( -0.569 0.000 0.410) 0.702 11.983 ( 0.474 -0.000 -0.102) 0.485 12.365 ( -2.237 0.000 2.843) 3.618 12.757 ( 0.689 -0.000 -5.653) 5.695 13.246 ( -4.702 0.000 5.450) 7.198 13.809 ( 1.728 -0.000 -3.823) 4.196 14.173 ( -0.628 0.000 -0.151) 0.646 14.533 ( 4.268 -0.000 -0.615) 4.312 16.821 ( 0.718 -0.000 0.502) 0.876 17.019 ( 1.048 -0.000 -1.866) 2.140 17.521 ( -1.207 0.000 0.311) 1.246 17.575 ( 2.136 -0.000 3.641) 4.221 18.051 ( -1.279 0.000 5.479) 5.626 18.118 ( -0.818 0.000 3.216) 3.319 23.448 ( -8.937 0.000 8.663) 12.447 23.716 ( 9.022 -0.000 21.953) 23.734 25.392 ( 0.990 -0.000 5.928) 6.010 25.578 ( 6.598 -0.000 -5.117) 8.350 28.045 ( 0.270 -0.000 -0.247) 0.366 28.109 ( -0.239 0.000 -0.502) 0.556 28.805 ( 0.461 -0.000 2.438) 2.481 29.180 ( 2.106 -0.000 -3.396) 3.996 29.352 ( -0.610 0.000 4.265) 4.309 29.574 ( -2.824 0.000 -3.875) 4.794 30.669 ( -1.314 0.000 9.008) 9.103 31.198 ( 1.883 -0.000 3.129) 3.651 31.315 ( -3.125 0.000 -14.387) 14.722 31.493 ( -1.576 0.000 -6.572) 6.758 32.222 ( -5.571 0.000 -0.080) 5.571 33.040 ( 6.864 -0.000 -6.123) 9.198 101.086 ( 1.594 -0.000 -3.453) 3.803 101.103 ( 0.054 -0.000 -5.606) 5.606 101.387 ( -5.779 0.000 -4.157) 7.119 101.427 ( 0.349 -0.000 7.060) 7.068 ======================= Grid point 186 (92/165) ======================= q-point: (-0.12 -0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -17.251 -3.501 12.526) 21.605 1.072 ( -13.053 -8.427 17.363) 23.300 1.710 ( -22.241 -12.451 12.407) 28.348 1.910 ( -3.070 3.507 -2.573) 5.325 2.103 ( -1.146 -1.530 0.220) 1.924 2.144 ( -1.078 -0.783 6.648) 6.780 2.363 ( -2.164 -6.051 -4.755) 7.994 2.556 ( 6.860 6.863 5.205) 11.012 2.723 ( 0.908 0.450 -3.074) 3.237 2.926 ( 5.470 2.939 -5.405) 8.232 2.958 ( -1.386 3.367 -5.136) 6.296 3.098 ( -4.648 -3.499 -0.039) 5.818 3.247 ( 1.716 -3.036 -4.284) 5.524 3.366 ( 0.734 -4.152 -1.673) 4.536 3.631 ( -2.967 1.155 -5.923) 6.725 3.798 ( 2.881 -8.446 -3.926) 9.749 4.183 ( 3.263 0.203 5.660) 6.537 4.384 ( -6.967 2.530 -1.040) 7.484 4.908 ( 5.974 -0.431 9.602) 11.317 5.100 ( 0.413 3.064 1.079) 3.274 6.190 ( -5.315 5.940 -17.786) 19.490 6.314 ( 6.352 3.821 -0.199) 7.416 6.415 ( 5.926 -0.065 1.530) 6.121 6.525 ( 8.004 -5.224 -3.377) 10.137 8.565 ( -3.094 -3.695 6.135) 7.802 9.287 ( 3.200 1.006 -6.817) 7.597 9.696 ( -4.468 -0.363 3.338) 5.589 10.073 ( -4.862 8.490 5.035) 11.003 10.155 ( -1.328 -1.571 2.223) 3.029 10.694 ( -0.419 0.449 -1.547) 1.665 10.936 ( -0.333 9.960 0.648) 9.987 11.141 ( -0.337 5.975 -4.349) 7.398 11.918 ( -0.496 0.773 0.783) 1.207 11.982 ( 0.489 0.569 -0.376) 0.839 12.394 ( -3.125 -7.007 1.403) 7.799 12.816 ( 3.369 -7.070 -9.505) 12.316 13.305 ( -1.407 -7.212 4.928) 8.847 13.743 ( 1.537 7.338 -3.675) 8.350 14.188 ( 0.688 -1.324 1.421) 2.061 14.599 ( 3.347 -3.124 -0.808) 4.649 16.858 ( 1.622 -2.712 -0.450) 3.192 17.015 ( 0.747 0.167 -2.700) 2.806 17.500 ( -1.252 0.952 0.446) 1.635 17.597 ( -0.864 -0.558 -0.238) 1.056 18.035 ( 0.502 4.968 7.339) 8.877 18.204 ( 1.323 -5.204 4.913) 7.278 23.395 ( -9.267 0.112 8.133) 12.330 23.829 ( 9.765 15.083 18.328) 25.667 25.421 ( -0.881 1.872 6.889) 7.192 25.706 ( 11.109 -6.833 -5.426) 14.126 28.026 ( 0.188 2.203 0.356) 2.240 28.119 ( 0.014 -1.556 -1.099) 1.905 28.824 ( 0.661 0.085 2.363) 2.455 29.186 ( 1.699 -0.149 -3.605) 3.988 29.462 ( 2.363 -10.109 0.484) 10.393 29.567 ( -1.969 -5.231 -3.055) 6.369 30.699 ( -2.685 0.603 8.462) 8.898 31.131 ( 0.634 2.778 -4.045) 4.948 31.290 ( 0.223 -1.854 -4.329) 4.715 31.447 ( -1.387 -0.140 -5.859) 6.023 32.158 ( -4.193 0.937 0.087) 4.298 33.007 ( 1.430 5.887 -3.530) 7.011 101.077 ( 1.365 0.537 -2.344) 2.765 101.127 ( 4.446 -1.549 1.307) 4.886 101.323 ( -3.184 -0.220 -0.837) 3.300 101.479 ( -0.733 -1.520 6.547) 6.761 ======================= Grid point 194 (93/165) ======================= q-point: (-0.12 -0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -12.799 0.000 20.709) 24.346 0.965 ( -16.197 0.000 19.531) 25.373 1.442 ( -16.492 0.000 32.091) 36.081 1.902 ( -3.686 0.000 -0.800) 3.772 2.071 ( -2.010 0.000 0.031) 2.011 2.178 ( 0.646 -0.000 4.277) 4.325 2.226 ( -5.936 0.000 -7.398) 9.485 2.613 ( -1.925 0.000 -1.969) 2.753 2.817 ( 12.338 -0.000 -6.851) 14.112 2.962 ( 6.470 -0.000 -1.928) 6.751 3.002 ( 1.181 -0.000 -0.353) 1.232 3.025 ( -4.329 0.000 4.196) 6.028 3.264 ( -0.065 0.000 -5.041) 5.041 3.278 ( 2.095 -0.000 -2.552) 3.301 3.571 ( 0.377 -0.000 -11.645) 11.651 3.725 ( -1.616 0.000 1.407) 2.143 4.292 ( 6.493 -0.000 10.759) 12.567 4.330 ( -8.374 0.000 5.737) 10.151 5.126 ( -0.223 0.000 0.813) 0.843 5.144 ( 23.117 -0.000 11.072) 25.632 6.046 ( -11.066 0.000 -15.048) 18.679 6.451 ( 2.985 -0.000 1.504) 3.342 6.459 ( 4.224 -0.000 -1.943) 4.649 6.516 ( 7.707 -0.000 1.314) 7.818 8.541 ( -2.728 0.000 6.572) 7.116 9.286 ( 3.111 -0.000 -7.372) 8.002 9.662 ( -3.864 0.000 2.039) 4.369 10.084 ( -5.387 0.000 -4.810) 7.221 10.175 ( -0.865 0.000 6.440) 6.498 10.679 ( -1.433 0.000 -0.969) 1.730 11.018 ( -2.783 0.000 -2.893) 4.014 11.150 ( -0.648 0.000 -6.720) 6.752 11.910 ( -1.356 0.000 -0.995) 1.682 11.989 ( 0.170 -0.000 -0.294) 0.340 12.309 ( -4.067 0.000 1.009) 4.190 12.709 ( 1.210 -0.000 -5.979) 6.100 13.240 ( -2.913 0.000 7.743) 8.272 13.806 ( 1.925 -0.000 -3.755) 4.219 14.202 ( 1.165 -0.000 2.585) 2.836 14.588 ( 1.913 -0.000 -1.815) 2.637 16.848 ( 1.119 -0.000 0.495) 1.224 17.007 ( 0.619 -0.000 -3.112) 3.173 17.500 ( -1.089 0.000 0.434) 1.172 17.553 ( -3.451 0.000 -2.661) 4.358 18.128 ( -1.668 0.000 3.354) 3.746 18.248 ( 9.835 -0.000 7.060) 12.107 23.341 ( -8.964 0.000 7.470) 11.669 24.261 ( 19.711 -0.000 2.385) 19.855 25.491 ( -2.161 0.000 7.997) 8.284 25.685 ( 7.498 -0.000 -3.668) 8.347 28.055 ( 0.749 -0.000 0.125) 0.760 28.093 ( -0.466 0.000 -0.732) 0.868 28.848 ( 0.720 -0.000 1.977) 2.104 29.168 ( 0.784 -0.000 -3.839) 3.918 29.370 ( -1.438 0.000 2.746) 3.099 29.489 ( -0.896 0.000 -2.962) 3.094 30.720 ( -3.798 0.000 9.098) 9.859 31.105 ( 1.539 -0.000 -6.391) 6.574 31.274 ( 1.147 -0.000 3.507) 3.690 31.438 ( 0.752 -0.000 -2.470) 2.582 32.126 ( -2.587 0.000 0.194) 2.594 33.042 ( -0.242 0.000 -6.495) 6.500 101.085 ( 1.684 -0.000 -3.131) 3.555 101.212 ( 4.952 -0.000 1.226) 5.102 101.359 ( 13.619 -0.000 10.759) 17.356 101.495 ( -1.717 0.000 7.289) 7.489 ======================= Grid point 195 (94/165) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -1.297 0.000 19.243) 19.286 1.362 ( -2.434 0.000 20.134) 20.281 1.724 ( 0.422 -0.000 -1.954) 1.999 1.850 ( -5.355 0.000 -5.318) 7.547 1.955 ( -1.999 0.000 -2.932) 3.548 2.164 ( -0.618 0.000 -5.262) 5.298 2.450 ( -2.247 0.000 -5.847) 6.263 2.549 ( 8.981 -0.000 14.159) 16.767 2.819 ( 5.740 -0.000 -4.782) 7.471 2.877 ( -3.775 0.000 2.567) 4.565 2.983 ( 9.239 -0.000 -6.209) 11.131 3.141 ( 4.002 -0.000 3.042) 5.027 3.372 ( 1.783 -0.000 2.153) 2.795 3.412 ( 6.465 -0.000 4.766) 8.032 3.438 ( 1.283 -0.000 1.647) 2.088 3.721 ( -3.965 0.000 -0.223) 3.971 4.444 ( -6.627 0.000 9.138) 11.288 4.715 ( 3.339 -0.000 2.316) 4.063 5.170 ( -2.497 0.000 -2.799) 3.751 5.305 ( 4.477 -0.000 7.545) 8.773 6.246 ( 17.112 -0.000 0.419) 17.117 6.349 ( -3.176 0.000 -5.092) 6.001 6.570 ( -1.464 0.000 2.798) 3.158 6.697 ( 4.773 -0.000 0.022) 4.773 8.694 ( -1.599 0.000 6.306) 6.505 9.104 ( 1.788 -0.000 -7.938) 8.137 9.636 ( -2.115 0.000 2.215) 3.063 9.891 ( -0.511 0.000 -2.904) 2.949 10.305 ( -1.842 0.000 5.312) 5.623 10.638 ( 0.324 -0.000 0.675) 0.749 10.827 ( -1.560 0.000 -10.506) 10.621 10.847 ( -6.675 0.000 -2.589) 7.160 11.852 ( -0.675 0.000 1.350) 1.509 11.973 ( -0.408 0.000 -0.632) 0.753 12.296 ( -3.769 0.000 2.680) 4.625 12.568 ( 3.084 -0.000 -6.076) 6.814 13.432 ( -1.590 0.000 6.755) 6.939 13.725 ( 2.504 -0.000 -4.270) 4.950 14.293 ( -1.108 0.000 3.347) 3.526 14.508 ( -0.562 0.000 -3.692) 3.735 16.878 ( 0.109 -0.000 0.282) 0.302 16.943 ( 1.796 -0.000 -2.372) 2.975 17.473 ( -1.459 0.000 0.629) 1.589 17.495 ( -0.296 0.000 0.136) 0.326 18.195 ( -3.195 0.000 4.189) 5.268 18.410 ( 4.412 -0.000 -2.436) 5.040 23.414 ( -7.621 0.000 9.649) 12.296 24.056 ( -3.296 0.000 -10.357) 10.869 25.467 ( -10.729 0.000 4.788) 11.749 25.742 ( 7.623 -0.000 -3.492) 8.385 28.063 ( -0.407 0.000 -0.432) 0.593 28.078 ( 0.971 -0.000 -0.172) 0.986 28.904 ( -0.977 0.000 2.339) 2.534 29.067 ( 0.494 -0.000 -3.308) 3.345 29.368 ( -3.479 0.000 0.922) 3.599 29.452 ( 3.893 -0.000 -1.875) 4.321 30.841 ( -10.998 0.000 8.006) 13.604 31.238 ( 14.100 -0.000 -4.790) 14.892 31.369 ( -1.904 0.000 2.872) 3.446 31.495 ( 8.300 -0.000 -1.537) 8.441 32.227 ( 4.050 -0.000 6.116) 7.336 32.754 ( -6.041 0.000 -9.119) 10.938 101.057 ( 0.753 -0.000 -0.379) 0.843 101.161 ( 0.714 -0.000 -2.785) 2.875 101.634 ( -5.431 0.000 6.177) 8.225 101.955 ( 15.866 -0.000 -4.532) 16.500 ======================= Grid point 196 (95/165) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.238 5.172 19.144) 19.956 1.596 ( -0.198 -9.991 14.518) 17.624 1.741 ( 2.043 -0.992 -0.831) 2.418 1.816 ( 1.617 -2.694 -4.970) 5.880 1.955 ( 0.222 -3.373 -0.084) 3.381 2.140 ( -1.383 -2.813 -5.802) 6.595 2.367 ( -0.563 3.299 -7.389) 8.112 2.618 ( 5.538 6.445 -9.168) 12.500 2.822 ( 0.969 2.427 1.965) 3.270 2.918 ( 4.437 -4.103 10.571) 12.176 3.032 ( 6.307 2.208 -4.573) 8.097 3.244 ( 1.391 -5.147 4.711) 7.115 3.398 ( 3.796 -0.768 -1.291) 4.083 3.478 ( 4.034 0.741 4.187) 5.862 3.533 ( 1.859 -4.313 0.851) 4.773 3.673 ( -0.917 -0.033 -3.107) 3.240 4.393 ( -4.153 5.170 9.769) 11.807 4.722 ( 1.845 3.127 -0.545) 3.672 5.110 ( -3.887 3.059 3.152) 5.866 5.363 ( 3.723 2.686 3.364) 5.691 6.274 ( -4.631 0.310 -5.037) 6.849 6.348 ( 12.773 6.426 -3.914) 14.825 6.529 ( -4.112 2.488 2.436) 5.388 6.728 ( 1.302 0.125 -1.762) 2.194 8.744 ( -1.079 -3.446 6.013) 7.014 9.105 ( 2.339 -2.766 -7.199) 8.059 9.627 ( -1.659 0.821 3.303) 3.786 9.883 ( 1.070 -0.512 -2.599) 2.856 10.309 ( -1.356 0.888 5.936) 6.154 10.616 ( -0.217 4.303 1.718) 4.639 10.729 ( -1.475 2.080 -5.581) 6.136 10.763 ( -5.118 0.504 -4.158) 6.613 11.870 ( -0.108 -0.703 2.058) 2.177 11.957 ( -0.011 0.935 -0.673) 1.152 12.322 ( -3.307 -6.042 2.323) 7.269 12.622 ( 4.114 -5.694 -6.236) 9.393 13.436 ( -1.516 1.849 4.270) 4.894 13.673 ( 3.029 6.411 -3.547) 7.928 14.327 ( -0.875 -3.345 3.977) 5.270 14.505 ( -1.967 -2.864 -3.603) 5.005 16.882 ( -0.188 -0.518 -0.259) 0.609 16.949 ( 1.902 0.095 -2.272) 2.964 17.470 ( -0.943 -0.555 1.362) 1.748 17.502 ( -0.107 -0.856 0.133) 0.873 18.168 ( -3.478 1.499 4.837) 6.143 18.451 ( 2.512 -1.762 -3.272) 4.485 23.400 ( -6.043 -0.488 9.982) 11.679 23.910 ( -5.835 5.330 -2.808) 8.387 25.379 ( -8.045 0.828 3.547) 8.831 25.797 ( 5.184 -0.038 -3.667) 6.350 28.036 ( -0.531 1.906 0.295) 2.000 28.100 ( 1.236 -1.036 -1.046) 1.922 28.902 ( -1.478 0.247 2.503) 2.917 29.057 ( 0.438 -0.315 -3.381) 3.424 29.380 ( -3.461 -5.379 0.179) 6.399 29.529 ( 4.631 -4.770 -1.718) 6.866 30.761 ( -10.104 0.377 6.507) 12.024 31.304 ( 1.348 4.431 -0.040) 4.632 31.364 ( 6.392 0.946 -0.666) 6.496 31.580 ( 13.123 1.059 -5.161) 14.141 32.312 ( 3.151 -0.023 7.744) 8.361 32.613 ( -7.530 1.214 -9.440) 12.136 101.062 ( 0.677 0.165 -0.094) 0.703 101.152 ( 1.191 0.477 -3.009) 3.271 101.593 ( -6.649 0.824 4.551) 8.099 102.002 ( 9.118 6.313 -5.324) 12.302 ======================= Grid point 197 (96/165) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.506 5.132 11.417) 12.528 1.719 ( -4.139 -4.847 0.649) 6.407 1.821 ( 3.222 -2.016 3.487) 5.159 1.899 ( 3.924 -4.902 -3.053) 6.982 2.053 ( 1.747 -4.643 1.340) 5.138 2.176 ( 1.012 1.892 -3.228) 3.876 2.281 ( 4.594 -2.648 -2.792) 5.993 2.514 ( 5.599 5.605 -7.923) 11.205 2.779 ( 0.567 3.422 0.828) 3.566 2.989 ( 4.510 5.363 -2.463) 7.428 3.128 ( 3.657 -6.492 1.731) 7.650 3.331 ( -2.741 -4.384 3.443) 6.211 3.420 ( -0.602 1.757 2.122) 2.820 3.508 ( -2.834 0.984 -0.381) 3.024 3.578 ( 6.641 -0.383 -2.365) 7.060 3.764 ( 7.298 -7.125 -1.542) 10.315 4.308 ( -2.807 6.617 8.279) 10.964 4.649 ( 1.127 6.358 -3.282) 7.243 5.028 ( -2.892 5.821 6.548) 9.226 5.327 ( 2.103 5.425 -3.302) 6.690 6.182 ( -5.381 0.991 -5.028) 7.431 6.277 ( 4.344 9.408 -3.627) 10.979 6.469 ( -2.370 1.879 2.888) 4.182 6.699 ( -1.153 1.271 -3.931) 4.289 8.838 ( -1.476 -5.602 5.400) 7.920 9.147 ( 2.764 -2.205 -5.173) 6.265 9.622 ( -1.291 -0.333 4.486) 4.680 9.887 ( 1.633 0.317 -3.570) 3.938 10.324 ( -0.602 0.010 5.919) 5.949 10.544 ( -1.422 3.337 3.596) 5.108 10.649 ( -1.104 4.027 -4.421) 6.081 10.708 ( -2.015 -0.857 -1.197) 2.495 11.877 ( -0.474 0.763 1.657) 1.885 11.943 ( 0.774 0.869 -0.138) 1.172 12.439 ( -2.235 -10.094 1.366) 10.428 12.745 ( 4.239 -7.145 -5.682) 10.065 13.388 ( -1.605 3.195 0.625) 3.630 13.580 ( 4.252 7.118 -1.316) 8.395 14.420 ( 0.316 -4.980 4.354) 6.622 14.490 ( -3.797 -1.172 -3.515) 5.306 16.888 ( -0.143 -0.824 -0.782) 1.145 16.954 ( 1.751 0.182 -2.276) 2.878 17.486 ( -0.485 -1.111 1.850) 2.212 17.521 ( 0.174 -1.294 0.572) 1.426 18.134 ( -3.919 1.445 5.891) 7.221 18.470 ( 0.568 -1.012 -4.301) 4.455 23.410 ( -4.636 -0.884 9.664) 10.755 23.770 ( -5.673 4.344 4.116) 8.246 25.318 ( -4.491 0.067 1.911) 4.881 25.803 ( 2.962 1.822 -4.350) 5.569 28.000 ( -0.841 1.870 0.933) 2.253 28.121 ( 1.617 -0.661 -1.869) 2.559 28.892 ( -1.771 0.549 2.482) 3.098 29.051 ( 0.934 -0.480 -3.253) 3.418 29.457 ( -3.036 -7.906 -0.314) 8.474 29.668 ( 4.297 -7.011 -1.885) 8.436 30.698 ( -8.200 -0.550 6.072) 10.219 31.203 ( -2.555 6.133 0.887) 6.703 31.386 ( 7.086 5.232 -0.894) 8.853 31.678 ( 15.657 1.524 -9.708) 18.485 32.295 ( -8.385 3.685 1.518) 9.284 32.546 ( 0.930 -3.229 -0.473) 3.393 101.065 ( 0.651 0.341 0.136) 0.747 101.138 ( 1.531 0.850 -3.175) 3.626 101.522 ( -6.838 1.269 2.312) 7.329 101.922 ( 4.026 8.286 -3.166) 9.741 ======================= Grid point 198 (97/165) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -2.620 4.939 1.199) 5.718 1.699 ( -8.076 -1.310 -1.370) 8.295 1.864 ( -2.171 3.254 -5.829) 7.019 1.966 ( 3.587 -3.092 2.992) 5.602 2.080 ( 0.714 2.556 2.254) 3.482 2.168 ( 3.680 -5.861 -1.963) 7.193 2.458 ( 7.455 2.230 -6.383) 10.064 2.522 ( 11.447 -4.590 5.528) 13.515 2.749 ( 0.466 1.725 1.088) 2.092 2.904 ( 2.244 6.813 -4.857) 8.663 3.177 ( -1.106 3.172 -0.028) 3.359 3.344 ( -4.544 -0.631 -5.289) 7.001 3.408 ( -1.668 -1.053 3.729) 4.219 3.490 ( -1.203 -3.646 1.737) 4.214 3.612 ( 3.355 1.801 -2.224) 4.410 3.936 ( 5.651 -1.906 2.746) 6.566 4.241 ( -0.946 0.953 1.398) 1.938 4.515 ( 0.852 7.776 -5.302) 9.450 4.944 ( -0.712 6.331 7.787) 10.060 5.210 ( 0.963 6.595 -7.436) 9.985 6.070 ( -3.471 3.388 -3.646) 6.068 6.174 ( -0.096 3.536 -0.159) 3.541 6.440 ( -0.251 1.801 1.459) 2.331 6.631 ( -1.725 1.662 -4.979) 5.525 8.948 ( -1.641 -6.550 4.176) 7.940 9.138 ( 0.274 3.802 -0.542) 3.850 9.682 ( 1.173 -4.600 1.846) 5.093 9.860 ( 0.083 1.597 -2.699) 3.137 10.353 ( -0.754 -0.611 3.939) 4.057 10.530 ( -3.720 3.928 1.598) 5.641 10.559 ( 1.944 -1.690 0.316) 2.595 10.716 ( 0.134 -1.505 0.096) 1.514 11.862 ( -0.837 0.763 1.141) 1.608 11.945 ( 1.222 0.418 0.513) 1.390 12.590 ( -0.380 -9.343 -0.876) 9.392 12.852 ( 2.907 -3.781 -3.694) 6.033 13.325 ( -1.234 1.638 -2.058) 2.905 13.535 ( 4.750 4.382 1.399) 6.613 14.411 ( -4.986 1.646 -3.361) 6.234 14.538 ( 1.718 -4.254 3.790) 5.951 16.898 ( 0.228 -0.961 -1.182) 1.540 16.955 ( 1.476 0.287 -2.197) 2.662 17.508 ( -0.127 -0.642 1.753) 1.871 17.557 ( 0.326 -2.013 1.582) 2.580 18.101 ( -4.433 1.466 6.454) 7.966 18.447 ( -0.543 0.591 -4.564) 4.635 23.437 ( -3.406 -1.591 8.659) 9.440 23.692 ( -5.934 2.211 7.825) 10.066 25.310 ( -1.060 -1.617 1.412) 2.394 25.760 ( 2.154 3.139 -5.270) 6.501 27.973 ( -0.895 1.007 1.407) 1.948 28.133 ( 1.622 -0.120 -2.446) 2.938 28.878 ( -1.553 0.615 2.287) 2.832 29.058 ( 1.460 -0.918 -2.907) 3.380 29.554 ( -1.844 -7.158 -0.500) 7.408 29.799 ( 2.806 -4.948 -2.030) 6.039 30.675 ( -6.173 -1.774 6.216) 8.938 31.088 ( -2.658 4.064 0.274) 4.864 31.349 ( 7.236 7.425 -1.580) 10.487 31.700 ( 11.148 6.764 -14.950) 19.838 32.154 ( -9.345 -0.250 2.159) 9.595 32.653 ( 2.689 -4.345 4.450) 6.776 101.065 ( 0.627 0.572 0.086) 0.853 101.124 ( 1.894 0.823 -2.767) 3.453 101.441 ( -5.778 1.071 0.478) 5.896 101.807 ( 1.179 7.413 -0.987) 7.571 ======================= Grid point 199 (98/165) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.039 -0.892 -4.597) 4.683 1.589 ( -9.984 3.399 2.353) 10.806 1.693 ( -4.946 6.011 -1.894) 8.011 2.074 ( 4.411 0.738 -0.120) 4.474 2.121 ( 2.897 -5.200 2.999) 6.665 2.288 ( 0.077 -6.950 -2.893) 7.528 2.449 ( 5.790 3.073 -2.634) 7.065 2.681 ( 5.759 3.380 -4.072) 7.821 2.731 ( -0.394 1.691 1.174) 2.096 2.820 ( 6.554 2.374 -0.601) 6.997 3.033 ( -4.562 11.742 5.957) 13.935 3.263 ( -4.001 1.501 -5.378) 6.869 3.419 ( -1.222 -1.136 2.303) 2.844 3.559 ( -4.457 -4.802 -2.173) 6.903 3.573 ( 0.912 3.513 0.759) 3.708 3.944 ( -1.402 3.757 4.446) 5.987 4.256 ( 3.421 1.683 -5.063) 6.338 4.406 ( 0.943 1.784 -1.642) 2.602 4.919 ( 1.345 1.662 6.494) 6.837 5.079 ( 1.438 5.269 -6.656) 8.610 5.987 ( -1.324 1.678 -1.488) 2.604 6.158 ( 1.862 -0.207 0.077) 1.875 6.425 ( 1.042 1.063 0.869) 1.724 6.570 ( -0.073 1.003 -4.219) 4.338 9.035 ( -1.835 5.560 2.539) 6.382 9.060 ( -0.811 -3.711 3.232) 4.988 9.754 ( -0.479 -1.280 -1.811) 2.269 9.848 ( 0.442 -2.616 -0.189) 2.660 10.351 ( -1.767 2.287 1.566) 3.287 10.451 ( -2.119 -0.735 -0.852) 2.399 10.670 ( 0.795 -7.083 2.584) 7.582 10.751 ( 0.973 -1.512 0.771) 1.956 11.856 ( -0.774 -0.599 0.824) 1.279 11.958 ( 1.070 0.012 0.611) 1.232 12.701 ( 2.107 -4.301 -3.932) 6.196 12.870 ( 0.751 2.284 -1.592) 2.884 13.304 ( -0.622 -2.615 -3.243) 4.212 13.540 ( 2.697 2.150 2.484) 4.251 14.312 ( -3.150 2.440 -1.890) 4.410 14.630 ( 2.168 -2.226 2.075) 3.736 16.908 ( 0.619 -0.600 -1.487) 1.718 16.951 ( 1.102 0.338 -2.139) 2.430 17.520 ( -0.251 0.179 1.634) 1.663 17.601 ( -0.317 -1.818 1.582) 2.431 18.070 ( -4.136 0.913 6.805) 8.015 18.400 ( 0.149 1.802 -3.217) 3.690 23.491 ( -2.247 -3.337 7.523) 8.531 23.647 ( -6.999 0.866 9.265) 11.644 25.362 ( 0.653 -3.501 2.455) 4.325 25.702 ( 3.645 3.221 -6.764) 8.332 27.967 ( -0.741 -0.227 1.640) 1.814 28.132 ( 1.308 0.383 -2.658) 2.987 28.868 ( -0.950 0.357 2.211) 2.432 29.076 ( 1.636 -1.148 -2.928) 3.545 29.625 ( -0.191 -2.912 -1.285) 3.189 29.845 ( 0.728 0.542 -1.739) 1.961 30.687 ( -4.534 -2.284 6.459) 8.216 31.049 ( -1.097 -2.209 -0.292) 2.484 31.296 ( 7.375 7.259 -1.754) 10.496 31.543 ( 1.894 8.595 -14.463) 16.930 32.137 ( -2.899 -2.018 2.831) 4.527 32.769 ( 0.976 -4.194 4.133) 5.968 101.059 ( 0.654 0.818 -0.664) 1.240 101.126 ( 2.384 0.238 -1.196) 2.678 101.377 ( -3.505 0.675 -0.084) 3.570 101.708 ( -0.330 5.195 1.288) 5.362 ======================= Grid point 200 (99/165) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -4.595 -1.208 5.088) 6.962 1.464 ( -2.806 1.565 5.607) 6.462 1.589 ( -1.872 0.652 -0.489) 2.042 2.092 ( 3.587 1.731 -1.392) 4.220 2.222 ( -2.025 -2.242 0.089) 3.023 2.349 ( 3.120 -2.379 -5.086) 6.424 2.444 ( -4.092 -2.494 -3.474) 5.919 2.603 ( 2.199 4.125 -6.045) 7.642 2.707 ( 0.216 0.706 -0.876) 1.146 2.785 ( -2.853 12.453 10.354) 16.444 2.888 ( 3.638 5.120 5.091) 8.085 3.157 ( -2.448 3.041 -3.908) 5.524 3.425 ( -0.263 1.980 1.048) 2.256 3.499 ( -1.951 4.623 3.291) 6.001 3.553 ( -1.902 0.704 -0.352) 2.058 3.898 ( -2.604 0.758 -0.974) 2.881 4.208 ( 1.165 0.887 -1.893) 2.393 4.443 ( 2.081 -1.132 4.327) 4.933 4.980 ( 2.235 -3.362 0.866) 4.129 5.025 ( 3.575 1.535 -0.109) 3.892 5.959 ( -0.426 0.427 -0.818) 1.016 6.216 ( 5.056 -2.366 -0.392) 5.596 6.442 ( 1.630 -0.560 1.547) 2.316 6.558 ( 3.546 0.185 -3.319) 4.860 8.907 ( -2.806 8.200 5.986) 10.533 9.136 ( 1.237 -3.053 -1.346) 3.559 9.727 ( -3.870 -0.158 0.405) 3.894 9.909 ( 0.535 -3.504 -1.891) 4.017 10.284 ( -2.058 3.065 2.091) 4.243 10.492 ( -1.596 -6.029 -1.402) 6.393 10.781 ( -1.003 -4.588 -3.758) 6.015 10.809 ( 0.500 -5.065 3.469) 6.159 11.876 ( -0.514 -2.053 0.757) 2.247 11.967 ( 0.308 0.174 -0.222) 0.417 12.700 ( 1.689 5.894 -3.228) 6.929 12.800 ( 0.726 3.834 -3.716) 5.388 13.367 ( 0.342 -7.477 -3.360) 8.204 13.524 ( -1.315 2.415 1.699) 3.232 14.268 ( 0.971 1.142 0.973) 1.787 14.671 ( 1.734 0.668 -0.193) 1.868 16.909 ( 0.747 0.486 -1.382) 1.644 16.945 ( 0.786 0.077 -2.359) 2.487 17.515 ( -0.833 0.754 1.362) 1.766 17.612 ( -1.886 -0.085 0.052) 1.888 18.070 ( -2.810 -0.892 7.082) 7.671 18.372 ( 2.714 1.968 -0.711) 3.427 23.554 ( -6.440 -1.561 7.953) 10.352 23.652 ( -2.170 -5.191 7.452) 9.337 25.445 ( -1.624 -4.152 4.751) 6.515 25.673 ( 7.699 2.066 -8.934) 11.973 27.982 ( -0.532 -1.302 1.576) 2.112 28.120 ( 0.929 0.706 -2.469) 2.731 28.871 ( -0.371 -0.005 2.228) 2.259 29.094 ( 1.522 -0.995 -3.386) 3.844 29.617 ( 1.220 3.167 -2.631) 4.294 29.780 ( -0.924 5.813 -1.655) 6.114 30.730 ( -3.219 -3.613 7.056) 8.556 31.118 ( 0.415 -5.923 -1.208) 6.059 31.259 ( 7.426 6.046 -0.658) 9.599 31.364 ( -1.372 4.308 -8.913) 9.994 32.150 ( -1.058 -0.334 1.752) 2.074 32.848 ( -1.060 -3.498 1.438) 3.927 101.049 ( 0.820 0.607 -1.094) 1.496 101.152 ( 2.249 -0.646 -0.475) 2.388 101.357 ( 1.343 0.055 1.933) 2.354 101.651 ( -1.276 2.422 3.751) 4.644 ======================= Grid point 201 (100/165) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -12.576 2.336 16.610) 20.964 1.468 ( -2.333 4.767 15.011) 15.922 1.692 ( 7.016 -7.479 -4.681) 11.273 2.053 ( -2.167 2.228 -5.347) 6.184 2.146 ( -5.768 3.618 -2.887) 7.396 2.312 ( -2.044 4.779 -1.177) 5.329 2.426 ( -3.013 5.619 -0.419) 6.389 2.500 ( 0.480 -3.525 -2.995) 4.651 2.714 ( 2.401 3.429 4.817) 6.381 2.764 ( 0.156 -3.273 6.158) 6.976 2.868 ( 1.516 0.292 1.488) 2.144 3.101 ( 3.259 2.667 -0.924) 4.311 3.350 ( 1.177 7.773 1.859) 8.078 3.414 ( -1.067 3.601 1.711) 4.127 3.542 ( 1.174 1.787 -0.438) 2.183 3.820 ( -3.000 3.181 -2.030) 4.821 4.284 ( -2.264 -8.477 4.972) 10.085 4.521 ( 3.649 -0.912 7.221) 8.142 5.072 ( 5.805 -4.250 -3.697) 8.089 5.098 ( 2.699 -2.842 5.094) 6.427 5.951 ( 1.420 0.581 1.631) 2.239 6.322 ( 5.133 -3.450 -1.002) 6.265 6.487 ( 1.002 -1.680 1.724) 2.607 6.592 ( 6.753 0.786 -2.385) 7.205 8.790 ( -3.066 6.616 6.837) 9.996 9.163 ( 2.924 0.264 -5.079) 5.866 9.691 ( -4.846 -0.425 1.405) 5.063 9.939 ( -1.082 -2.137 -3.212) 4.007 10.254 ( -1.949 0.016 4.432) 4.842 10.567 ( -1.070 -5.544 -2.050) 6.008 10.816 ( -1.648 -4.524 -3.516) 5.962 10.896 ( -2.126 -5.414 -1.639) 6.043 11.908 ( -0.951 -1.378 0.678) 1.806 11.955 ( -0.350 0.086 -1.330) 1.378 12.539 ( -2.421 10.331 0.708) 10.634 12.722 ( 3.097 5.151 -7.541) 9.643 13.455 ( -2.580 1.486 2.245) 3.729 13.514 ( 1.288 -8.771 -3.492) 9.528 14.285 ( 2.280 1.124 2.833) 3.806 14.643 ( 0.859 3.445 -2.217) 4.186 16.895 ( 0.569 1.262 -0.679) 1.542 16.940 ( 0.864 -0.124 -2.599) 2.742 17.498 ( -1.192 0.580 0.882) 1.592 17.570 ( -2.465 1.522 -0.801) 3.006 18.115 ( -1.916 -2.689 6.365) 7.171 18.381 ( 4.944 2.138 0.048) 5.387 23.511 ( -9.310 0.605 8.938) 12.920 23.835 ( 2.256 -12.060 1.367) 12.346 25.501 ( -4.912 -3.482 5.720) 8.304 25.693 ( 9.338 1.261 -9.281) 13.226 28.011 ( -0.401 -1.840 1.205) 2.236 28.104 ( 0.743 0.825 -1.925) 2.222 28.884 ( -0.149 -0.245 2.204) 2.222 29.100 ( 1.222 -0.369 -4.001) 4.200 29.536 ( 1.862 6.227 -2.791) 7.074 29.632 ( -2.056 8.685 -1.828) 9.110 30.808 ( -3.123 -4.376 8.378) 9.955 31.159 ( 4.220 3.213 -3.942) 6.608 31.269 ( 1.666 -1.588 1.770) 2.903 31.327 ( 2.141 -2.929 -1.956) 4.122 32.150 ( 0.395 0.732 1.845) 2.024 32.872 ( -2.826 -2.517 -2.786) 4.699 101.046 ( 0.911 0.169 -1.003) 1.365 101.172 ( 0.347 -0.740 -2.102) 2.255 101.463 ( 10.843 -3.113 5.550) 12.573 101.639 ( -2.257 0.343 5.695) 6.135 ======================= Grid point 202 (101/165) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -8.871 -3.873 19.624) 21.881 1.424 ( -3.807 8.953 18.622) 21.010 1.764 ( 0.758 1.684 -3.118) 3.623 1.947 ( -6.218 -0.205 -6.944) 9.323 2.014 ( -4.779 1.814 -1.758) 5.406 2.213 ( -0.148 3.586 -2.328) 4.278 2.382 ( 1.756 0.762 9.153) 9.351 2.541 ( 1.435 1.979 -2.054) 3.193 2.716 ( 4.477 -1.078 2.675) 5.326 2.866 ( -3.990 -6.395 1.721) 7.732 2.936 ( 7.229 -1.114 -3.925) 8.301 3.108 ( 5.235 3.059 1.375) 6.218 3.300 ( 4.303 1.911 3.093) 5.633 3.384 ( 1.738 2.452 3.422) 4.554 3.481 ( 0.780 5.247 -1.752) 5.587 3.755 ( -3.410 0.452 1.558) 3.777 4.413 ( -6.677 -6.984 8.161) 12.648 4.630 ( 5.223 -1.467 5.942) 8.046 5.170 ( 2.809 -3.719 -5.948) 7.556 5.204 ( 3.725 -1.951 6.164) 7.461 6.039 ( 10.812 -1.956 5.030) 12.084 6.385 ( 0.568 -1.460 -4.152) 4.438 6.535 ( 0.516 -1.901 2.946) 3.544 6.644 ( 7.099 1.218 -0.402) 7.214 8.711 ( -2.647 3.707 6.630) 8.044 9.140 ( 2.714 1.576 -7.331) 7.975 9.656 ( -3.921 -0.158 1.729) 4.288 9.921 ( -1.415 -0.236 -3.893) 4.149 10.281 ( -1.933 -1.632 5.397) 5.960 10.617 ( -0.533 -2.758 -0.955) 2.967 10.849 ( -2.383 -4.984 -6.674) 8.664 10.912 ( -4.121 -2.441 -3.936) 6.199 11.880 ( -1.710 1.844 -0.207) 2.523 11.967 ( -0.188 -1.475 -0.465) 1.558 12.372 ( -3.776 6.214 2.448) 7.672 12.622 ( 2.894 5.220 -7.160) 9.322 13.421 ( -2.339 0.991 5.534) 6.089 13.659 ( 2.415 -7.371 -4.223) 8.832 14.295 ( 0.468 1.575 3.297) 3.684 14.567 ( 0.088 3.904 -3.431) 5.199 16.880 ( 0.393 0.855 0.173) 0.957 16.939 ( 1.331 -0.091 -2.559) 2.886 17.484 ( -1.287 -0.089 0.436) 1.362 17.518 ( -1.493 1.569 -0.262) 2.182 18.174 ( -2.246 -2.825 5.039) 6.198 18.394 ( 5.253 2.537 -1.504) 6.024 23.454 ( -8.920 0.483 9.189) 12.816 24.037 ( 1.473 -10.197 -8.092) 13.101 25.520 ( -8.353 -3.211 5.366) 10.434 25.706 ( 8.032 2.586 -6.516) 10.661 28.043 ( -0.301 -1.821 0.522) 1.918 28.088 ( 0.723 1.007 -1.117) 1.669 28.897 ( -0.425 -0.201 2.195) 2.244 29.086 ( 0.815 0.462 -3.993) 4.101 29.442 ( -0.926 5.190 -0.429) 5.290 29.478 ( 0.434 5.719 -1.706) 5.984 30.874 ( -7.621 -3.090 9.830) 12.816 31.145 ( 11.034 3.408 -4.778) 12.497 31.334 ( -1.062 -3.537 3.289) 4.945 31.413 ( 5.161 -2.386 -0.885) 5.754 32.168 ( 2.621 0.640 3.686) 4.568 32.840 ( -4.228 -1.539 -6.859) 8.203 101.050 ( 0.856 -0.046 -0.710) 1.113 101.169 ( 0.162 -0.380 -2.638) 2.670 101.642 ( -3.697 -0.559 6.523) 7.518 101.725 ( 17.823 -5.092 2.055) 18.650 ======================= Grid point 204 (102/165) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 1.403 -0.000 13.530) 13.602 1.584 ( 5.954 -0.000 16.189) 17.249 1.793 ( 5.108 -0.000 -3.679) 6.295 1.794 ( 7.726 -0.000 1.953) 7.969 1.910 ( -0.814 0.000 0.385) 0.900 2.059 ( -2.160 0.000 -6.298) 6.658 2.343 ( -0.511 0.000 -7.541) 7.558 2.659 ( 0.305 -0.000 -8.022) 8.028 2.883 ( 3.930 -0.000 -1.637) 4.257 2.995 ( 8.970 -0.000 0.933) 9.018 3.069 ( 2.877 -0.000 -4.285) 5.161 3.215 ( -0.161 0.000 2.889) 2.894 3.424 ( 5.084 -0.000 -3.654) 6.261 3.504 ( -3.167 0.000 0.633) 3.230 3.574 ( 6.047 -0.000 6.446) 8.838 3.666 ( 3.949 -0.000 -3.515) 5.286 4.448 ( -3.576 0.000 9.262) 9.928 4.768 ( 2.099 -0.000 -0.591) 2.181 5.122 ( -4.301 0.000 8.098) 9.170 5.421 ( 1.663 -0.000 -1.920) 2.540 6.188 ( -6.347 0.000 -4.526) 7.795 6.493 ( 8.720 -0.000 -7.692) 11.627 6.501 ( -5.546 0.000 -0.371) 5.559 6.712 ( -2.606 0.000 -2.227) 3.428 8.740 ( -0.925 0.000 5.702) 5.777 9.068 ( 3.547 -0.000 -6.944) 7.797 9.644 ( -0.649 0.000 3.857) 3.911 9.885 ( 2.264 -0.000 -1.665) 2.810 10.336 ( -1.694 0.000 7.332) 7.526 10.666 ( 0.357 -0.000 -3.576) 3.593 10.669 ( -7.052 0.000 -2.099) 7.358 10.723 ( 1.594 -0.000 -0.756) 1.765 11.887 ( 1.014 -0.000 3.663) 3.800 11.958 ( 0.082 -0.000 -1.075) 1.078 12.255 ( -2.788 0.000 2.854) 3.989 12.586 ( 4.316 -0.000 -5.054) 6.646 13.470 ( -1.045 0.000 4.739) 4.852 13.735 ( 2.736 -0.000 -4.069) 4.903 14.302 ( -1.343 0.000 3.659) 3.898 14.441 ( -1.936 0.000 -3.169) 3.714 16.872 ( -0.629 0.000 -0.192) 0.658 16.957 ( 1.747 -0.000 -2.297) 2.886 17.462 ( -1.034 0.000 1.708) 1.996 17.498 ( 0.551 -0.000 -0.055) 0.554 18.164 ( -3.771 0.000 3.810) 5.361 18.438 ( 0.948 -0.000 -2.807) 2.963 23.399 ( -4.443 0.000 10.642) 11.532 23.866 ( -7.665 0.000 0.029) 7.665 25.321 ( -6.303 0.000 1.673) 6.521 25.827 ( 2.787 -0.000 -1.797) 3.316 28.055 ( 0.131 -0.000 -0.346) 0.370 28.092 ( 0.655 -0.000 -0.467) 0.804 28.901 ( -1.879 0.000 2.738) 3.321 29.039 ( 0.165 -0.000 -2.911) 2.916 29.304 ( -2.940 0.000 0.723) 3.028 29.531 ( 4.867 -0.000 -1.697) 5.154 30.690 ( -9.118 0.000 5.215) 10.504 31.342 ( -2.837 0.000 1.522) 3.220 31.447 ( 9.063 -0.000 -1.750) 9.230 31.708 ( 14.808 -0.000 -5.747) 15.884 32.395 ( 2.874 -0.000 8.720) 9.181 32.472 ( -8.854 0.000 -12.003) 14.915 101.071 ( 0.728 -0.000 0.383) 0.823 101.153 ( 1.647 -0.000 -3.387) 3.767 101.545 ( -7.755 0.000 3.301) 8.429 102.086 ( 4.138 -0.000 -7.848) 8.872 ======================= Grid point 205 (103/165) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.449 9.190 10.787) 14.178 1.687 ( 2.449 1.589 3.983) 4.938 1.854 ( 5.811 -2.849 -2.953) 7.114 1.892 ( 6.395 1.070 1.126) 6.581 1.981 ( 0.101 -4.034 -1.498) 4.305 2.135 ( 6.028 -10.930 4.040) 13.120 2.280 ( -0.927 1.718 -4.105) 4.546 2.588 ( 1.858 2.908 -6.655) 7.496 2.849 ( 1.068 4.190 -2.789) 5.145 3.049 ( -2.441 0.685 -2.031) 3.249 3.107 ( 9.728 -2.237 -6.759) 12.055 3.264 ( 1.907 -2.413 -2.427) 3.918 3.443 ( 0.167 0.511 -0.176) 0.566 3.478 ( -1.140 -0.631 -1.187) 1.762 3.663 ( 6.329 1.337 -0.020) 6.469 3.732 ( 6.747 -4.374 -0.506) 8.056 4.420 ( -3.503 4.724 8.111) 10.019 4.750 ( 2.325 4.848 -0.789) 5.434 5.106 ( -3.747 2.627 9.085) 10.173 5.372 ( -0.543 2.915 -8.440) 8.946 6.095 ( -6.604 -0.246 -4.192) 7.826 6.403 ( -3.461 5.034 -4.036) 7.322 6.475 ( 0.867 2.011 -4.164) 4.705 6.653 ( -4.902 -0.183 -3.978) 6.316 8.781 ( -1.825 -2.975 5.000) 6.097 9.105 ( 4.797 -2.880 -6.135) 8.304 9.652 ( -0.425 1.142 5.231) 5.371 9.904 ( 3.177 0.626 -1.796) 3.703 10.360 ( -1.390 0.512 8.628) 8.754 10.562 ( -5.010 2.228 -1.077) 5.588 10.641 ( -0.465 0.162 -5.319) 5.342 10.744 ( 2.715 2.482 4.549) 5.850 11.910 ( 0.727 1.263 2.911) 3.255 11.956 ( 0.662 0.019 -0.614) 0.903 12.296 ( -1.741 -5.978 3.420) 7.104 12.653 ( 4.381 -5.330 -4.667) 8.329 13.447 ( -0.995 3.881 2.458) 4.701 13.704 ( 3.283 4.236 -3.338) 6.314 14.353 ( -0.932 -4.746 3.636) 6.051 14.414 ( -2.729 -1.328 -2.831) 4.151 16.868 ( -0.720 -0.579 -0.338) 0.984 16.961 ( 1.512 0.052 -2.355) 2.799 17.471 ( -0.876 -1.145 2.216) 2.644 17.511 ( 0.748 -0.646 0.002) 0.988 18.139 ( -3.739 0.707 4.217) 5.680 18.431 ( -0.733 -0.843 -3.232) 3.420 23.419 ( -3.060 0.007 10.592) 11.025 23.777 ( -7.417 2.131 5.029) 9.211 25.275 ( -3.529 -0.541 -0.170) 3.574 25.826 ( 0.225 0.930 -1.976) 2.196 28.032 ( -0.104 2.164 0.258) 2.182 28.111 ( 0.909 -1.248 -1.203) 1.957 28.893 ( -2.131 0.276 2.743) 3.485 29.031 ( 0.430 -0.658 -2.851) 2.958 29.323 ( -2.130 -4.857 1.006) 5.399 29.608 ( 4.424 -4.334 -1.881) 6.472 30.636 ( -7.034 -0.574 5.013) 8.657 31.274 ( -3.042 4.877 1.050) 5.843 31.511 ( 6.917 1.964 -2.308) 7.552 31.831 ( 16.798 1.318 -7.104) 18.285 32.253 ( -9.891 4.986 -8.519) 13.974 32.509 ( 0.975 -4.176 6.091) 7.449 101.081 ( 0.840 0.301 0.774) 1.181 101.148 ( 1.881 0.487 -3.738) 4.212 101.470 ( -7.639 0.532 1.386) 7.782 102.026 ( 0.444 4.560 -6.425) 7.891 ======================= Grid point 206 (104/165) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -1.782 11.160 3.095) 11.718 1.666 ( 0.336 3.366 -0.560) 3.429 1.890 ( 2.834 3.722 -5.799) 7.451 1.947 ( 1.796 -4.107 -0.475) 4.507 2.062 ( 2.789 -2.659 1.958) 4.322 2.187 ( 0.405 1.835 0.835) 2.057 2.463 ( 6.430 -8.602 -0.375) 10.746 2.590 ( 6.298 -3.027 3.440) 7.788 2.788 ( 0.926 2.556 -1.687) 3.200 2.946 ( -6.222 3.412 -6.390) 9.549 3.185 ( 7.581 -0.348 -8.465) 11.369 3.272 ( 0.606 0.242 -4.344) 4.393 3.435 ( -0.601 0.845 1.841) 2.113 3.465 ( -0.433 0.325 -0.457) 0.708 3.665 ( 2.275 2.036 -3.724) 4.816 3.927 ( 8.350 -7.712 0.165) 11.368 4.316 ( -3.987 7.341 5.476) 9.989 4.651 ( 2.107 9.184 -1.394) 9.525 5.061 ( -2.326 4.283 7.074) 8.590 5.237 ( -2.050 4.112 -12.378) 13.203 6.017 ( -5.027 -0.690 -3.593) 6.217 6.252 ( -1.232 6.005 -3.173) 6.902 6.444 ( -1.752 -0.486 -0.979) 2.065 6.573 ( -5.302 -0.103 -4.997) 7.287 8.851 ( -2.662 -5.432 4.114) 7.315 9.160 ( 3.309 -1.004 -4.373) 5.575 9.676 ( 1.090 -0.551 5.509) 5.643 9.894 ( 2.075 3.008 -1.730) 4.043 10.382 ( -0.702 1.278 7.132) 7.280 10.499 ( -5.401 -1.344 1.929) 5.890 10.591 ( 1.939 3.379 -5.198) 6.496 10.760 ( 2.675 2.146 5.904) 6.827 11.894 ( -0.067 2.412 1.809) 3.016 11.963 ( 0.927 0.094 0.039) 0.933 12.435 ( 0.047 -9.419 2.558) 9.760 12.774 ( 3.414 -6.489 -3.859) 8.286 13.367 ( -0.627 5.029 -0.325) 5.079 13.657 ( 3.840 4.333 -1.443) 5.967 14.360 ( -3.662 0.262 -2.962) 4.718 14.476 ( -0.285 -6.479 3.472) 7.357 16.872 ( -0.471 -1.095 -0.660) 1.363 16.962 ( 1.351 0.105 -2.264) 2.638 17.503 ( -0.427 -1.648 2.736) 3.222 17.533 ( 0.255 -1.340 0.338) 1.405 18.109 ( -3.935 1.118 5.096) 6.535 18.412 ( -1.282 -0.695 -3.703) 3.980 23.448 ( -1.938 0.075 9.503) 9.699 23.703 ( -7.258 2.147 8.530) 11.404 25.269 ( -0.887 -2.092 -0.687) 2.374 25.784 ( -0.871 1.735 -3.363) 3.883 27.998 ( -0.418 1.977 0.945) 2.231 28.129 ( 1.154 -0.685 -1.999) 2.408 28.880 ( -1.934 0.328 2.465) 3.150 29.038 ( 0.894 -1.136 -2.604) 2.979 29.418 ( -0.859 -7.559 1.198) 7.702 29.727 ( 3.258 -5.907 -2.074) 7.058 30.619 ( -4.938 -1.613 5.522) 7.582 31.150 ( -3.100 6.307 0.886) 7.083 31.502 ( 6.029 4.764 -4.872) 9.099 31.868 ( 10.625 9.290 -17.700) 22.638 32.080 ( -4.706 -0.802 3.242) 5.771 32.621 ( -0.655 -4.736 6.477) 8.051 101.086 ( 0.901 0.742 0.546) 1.289 101.139 ( 1.884 0.510 -3.329) 3.858 101.392 ( -5.830 0.277 -0.035) 5.836 101.902 ( -1.440 5.838 -3.977) 7.210 ======================= Grid point 207 (105/165) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 1.436 6.449 -3.738) 7.591 1.595 ( -0.899 4.949 0.551) 5.060 1.778 ( -1.210 7.721 0.890) 7.866 2.043 ( 0.394 -6.798 -0.902) 6.869 2.111 ( 1.941 0.011 1.849) 2.681 2.207 ( -0.212 -1.574 -1.139) 1.954 2.517 ( 2.694 1.008 -5.374) 6.096 2.736 ( 1.237 4.632 -11.618) 12.568 2.756 ( -1.577 1.171 2.201) 2.950 2.891 ( 6.069 -7.988 7.610) 12.592 3.125 ( -0.794 6.127 -9.983) 11.740 3.257 ( 1.359 2.166 1.378) 2.905 3.411 ( -2.505 0.917 4.457) 5.194 3.475 ( 1.047 -1.711 -3.770) 4.270 3.622 ( 0.269 2.144 -2.095) 3.010 4.044 ( -0.802 5.562 4.087) 6.949 4.248 ( 2.507 -3.852 -1.421) 4.811 4.499 ( 1.701 10.153 -2.322) 10.553 5.004 ( -1.494 3.879 3.302) 5.309 5.094 ( -1.100 2.193 -9.983) 10.280 5.973 ( -2.051 -0.548 -1.887) 2.840 6.184 ( 1.658 1.127 -1.038) 2.258 6.433 ( -1.113 -0.222 -0.510) 1.244 6.511 ( -3.727 -2.328 -4.294) 6.144 8.944 ( -2.526 -6.924 2.996) 7.957 9.140 ( 0.083 4.019 0.149) 4.023 9.748 ( 3.210 -1.375 1.430) 3.774 9.843 ( -0.084 2.567 -0.067) 2.569 10.375 ( -0.921 1.966 3.821) 4.395 10.464 ( -3.510 2.706 1.262) 4.608 10.571 ( 0.947 -3.260 -2.171) 4.030 10.797 ( 2.736 1.146 5.142) 5.936 11.864 ( -0.421 1.606 1.336) 2.131 11.971 ( 0.595 0.099 0.140) 0.620 12.606 ( 2.395 -8.460 -0.149) 8.794 12.864 ( 1.472 -2.865 -2.579) 4.126 13.289 ( 0.045 2.767 -2.008) 3.419 13.621 ( 1.829 3.789 -0.215) 4.213 14.301 ( -1.680 0.916 -1.587) 2.486 14.588 ( -0.448 -5.445 1.962) 5.805 16.884 ( -0.172 -1.287 -1.200) 1.768 16.961 ( 1.277 0.307 -2.043) 2.429 17.531 ( 0.066 -0.095 2.033) 2.036 17.564 ( -1.426 -2.348 1.300) 3.039 18.079 ( -3.915 1.024 6.076) 7.301 18.395 ( 0.268 -0.544 -3.117) 3.175 23.485 ( -1.132 -0.632 8.038) 8.142 23.644 ( -7.636 1.743 9.959) 12.670 25.313 ( -0.056 -3.662 0.432) 3.687 25.728 ( 0.560 1.344 -5.565) 5.752 27.975 ( -0.539 0.968 1.465) 1.836 28.134 ( 1.142 0.017 -2.555) 2.799 28.872 ( -1.405 0.055 2.263) 2.664 29.055 ( 1.130 -1.281 -2.644) 3.148 29.546 ( 0.858 -6.825 0.944) 6.943 29.821 ( 1.562 -3.299 -2.054) 4.188 30.644 ( -3.231 -2.503 6.575) 7.742 31.041 ( -2.091 3.226 0.545) 3.883 31.441 ( 4.840 5.535 -7.674) 10.628 31.643 ( 0.977 10.351 -14.081) 17.503 32.139 ( 4.372 -0.256 3.441) 5.570 32.713 ( -2.897 -4.674 5.377) 7.691 101.079 ( 0.868 1.136 -0.952) 1.717 101.139 ( 1.337 -0.130 -1.771) 2.223 101.349 ( -2.168 -0.560 0.301) 2.260 101.777 ( -2.326 4.892 -1.498) 5.620 ======================= Grid point 208 (106/165) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 7.723 -2.152 0.721) 8.050 1.490 ( -2.430 5.133 2.627) 6.257 1.680 ( 1.625 6.224 6.670) 9.266 2.124 ( 1.227 -0.298 -0.838) 1.515 2.163 ( -3.819 0.706 -2.500) 4.619 2.186 ( -1.243 -9.237 -5.071) 10.610 2.438 ( -5.853 2.807 -1.455) 6.652 2.644 ( 6.526 3.159 -14.419) 16.139 2.722 ( -1.317 1.816 1.901) 2.940 2.904 ( -6.693 7.889 -6.046) 11.983 3.087 ( 8.736 2.441 7.355) 11.678 3.228 ( 2.120 5.057 3.128) 6.313 3.430 ( -1.456 -1.870 5.682) 6.157 3.489 ( -0.591 -2.513 -0.871) 2.725 3.593 ( -0.172 1.871 1.004) 2.130 3.886 ( -6.511 6.825 1.707) 9.586 4.303 ( 4.502 8.117 -2.575) 9.633 4.420 ( 1.230 -4.972 -1.191) 5.258 4.953 ( -1.220 -1.124 -4.138) 4.458 5.059 ( 1.826 -0.220 -0.266) 1.859 5.968 ( 0.083 -0.239 0.798) 0.837 6.224 ( 4.246 -2.243 -1.360) 4.991 6.424 ( -2.351 -1.544 0.204) 2.820 6.534 ( 1.666 -3.973 -3.445) 5.516 9.023 ( -1.568 1.759 1.956) 3.063 9.073 ( -1.470 -1.181 3.412) 3.899 9.731 ( -0.666 3.811 0.672) 3.927 9.868 ( 2.243 -2.572 -2.036) 3.974 10.335 ( -1.299 3.778 2.163) 4.543 10.416 ( -1.418 -0.596 1.692) 2.286 10.643 ( -1.304 -6.244 -2.183) 6.741 10.824 ( 1.262 1.016 2.782) 3.220 11.856 ( -0.314 -0.331 1.130) 1.218 11.969 ( -0.229 0.325 -0.524) 0.657 12.737 ( 4.944 -3.301 -3.644) 6.973 12.850 ( -1.007 3.556 -1.598) 4.026 13.274 ( 0.859 -2.271 -2.287) 3.336 13.556 ( -2.222 3.703 -0.299) 4.329 14.297 ( 2.075 -0.182 1.207) 2.408 14.655 ( -1.021 -2.988 -0.279) 3.170 16.894 ( 0.078 -1.000 -1.715) 1.987 16.956 ( 1.264 0.630 -1.877) 2.349 17.530 ( -0.662 0.990 1.436) 1.866 17.579 ( -2.539 -1.124 0.975) 2.943 18.070 ( -3.269 -0.193 7.135) 7.850 18.408 ( 3.048 -0.576 -1.827) 3.600 23.524 ( -3.874 -0.429 7.943) 8.848 23.610 ( -4.724 -1.107 8.728) 9.986 25.375 ( -2.356 -4.030 2.653) 5.369 25.704 ( 4.260 -0.190 -8.107) 9.160 27.972 ( -0.635 -0.265 1.707) 1.840 28.127 ( 1.127 0.490 -2.757) 3.019 28.874 ( -0.938 -0.314 2.170) 2.385 29.071 ( 1.130 -1.135 -3.107) 3.495 29.642 ( 2.511 -1.948 -0.360) 3.198 29.827 ( -0.313 2.217 -1.886) 2.927 30.697 ( -2.387 -2.504 8.204) 8.903 31.030 ( -0.265 -3.416 -0.356) 3.445 31.335 ( -0.978 3.836 -8.674) 9.535 31.467 ( 6.636 8.072 -8.005) 13.163 32.187 ( 3.423 1.676 3.231) 4.996 32.764 ( -4.870 -3.978 2.375) 6.722 101.063 ( 0.792 0.891 -1.485) 1.905 101.145 ( 0.263 -0.733 -1.865) 2.021 101.381 ( 3.071 -2.110 2.724) 4.616 101.685 ( -2.807 2.699 1.010) 4.023 ======================= Grid point 209 (107/165) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -4.569 8.380 14.648) 17.483 1.594 ( 9.995 -6.396 2.308) 12.089 1.684 ( 5.736 2.760 7.622) 9.930 2.002 ( -7.123 3.430 -7.880) 11.162 2.130 ( -2.781 0.147 -1.384) 3.110 2.309 ( -3.736 -4.290 -3.610) 6.737 2.354 ( 1.339 -1.826 -4.210) 4.780 2.490 ( -2.749 6.981 -9.992) 12.495 2.706 ( 0.239 -0.134 0.554) 0.618 2.811 ( 1.335 -2.946 -1.731) 3.668 3.073 ( 3.193 12.833 14.162) 19.377 3.201 ( 4.371 2.820 0.312) 5.211 3.437 ( 0.222 1.469 1.543) 2.142 3.515 ( -0.957 7.804 3.371) 8.555 3.582 ( 3.354 -2.009 4.313) 5.822 3.766 ( -7.133 -0.938 -2.460) 7.603 4.216 ( 0.322 2.043 1.037) 2.314 4.531 ( 2.424 -5.082 0.847) 5.694 4.986 ( 0.168 -6.135 -5.142) 8.007 5.119 ( 3.113 -2.599 3.545) 5.386 5.996 ( 2.812 -0.772 3.143) 4.287 6.303 ( 3.174 -3.077 -3.027) 5.358 6.442 ( -2.621 -3.239 1.680) 4.492 6.618 ( 5.088 -3.498 -3.090) 6.904 8.917 ( -2.264 7.772 5.383) 9.721 9.142 ( 0.713 -3.346 -1.315) 3.666 9.668 ( -2.737 2.298 1.998) 4.095 9.902 ( 1.788 -1.000 -3.908) 4.412 10.281 ( -0.897 2.560 3.147) 4.155 10.457 ( -1.557 -4.523 1.872) 5.136 10.703 ( -1.688 -5.150 -4.161) 6.833 10.825 ( -1.387 -0.350 0.264) 1.454 11.878 ( -0.342 -1.643 1.048) 1.978 11.948 ( -0.957 0.668 -1.402) 1.824 12.690 ( -1.465 9.987 -0.707) 10.118 12.790 ( 4.390 2.490 -6.490) 8.222 13.361 ( 2.103 -7.622 -1.914) 8.136 13.470 ( -3.785 2.182 0.059) 4.370 14.342 ( 2.883 0.393 3.164) 4.299 14.657 ( -1.679 0.061 -2.295) 2.844 16.898 ( 0.405 -0.319 -1.616) 1.697 16.947 ( 1.263 0.726 -1.947) 2.432 17.507 ( -1.132 1.279 1.239) 2.110 17.559 ( -2.363 0.515 0.329) 2.441 18.095 ( -2.734 -1.580 7.464) 8.105 18.447 ( 4.529 0.075 -1.787) 4.870 23.487 ( -7.923 1.576 9.244) 12.276 23.700 ( -0.696 -7.155 4.734) 8.607 25.413 ( -5.456 -3.353 4.222) 7.670 25.729 ( 6.684 -1.097 -9.124) 11.363 27.986 ( -0.839 -1.264 1.576) 2.187 28.115 ( 1.327 0.653 -2.518) 2.920 28.884 ( -0.784 -0.547 2.165) 2.366 29.079 ( 0.969 -0.742 -3.706) 3.901 29.645 ( 2.959 4.431 -1.811) 5.627 29.728 ( -1.389 7.036 -2.007) 7.448 30.762 ( -3.619 -3.009 9.474) 10.579 31.116 ( 1.472 -5.873 -1.684) 6.285 31.252 ( -2.447 -0.964 -2.916) 3.927 31.414 ( 10.836 5.024 -6.738) 13.714 32.208 ( 2.904 1.939 4.378) 5.600 32.761 ( -6.429 -2.968 -1.970) 7.350 101.053 ( 0.734 0.351 -1.162) 1.418 101.147 ( 0.021 -0.865 -2.535) 2.679 101.519 ( 7.389 -5.339 4.272) 10.067 101.642 ( -2.633 0.298 3.097) 4.076 ======================= Grid point 210 (108/165) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.948 2.667 18.062) 18.494 1.669 ( 2.650 9.106 16.510) 19.040 1.782 ( 2.199 0.214 -2.771) 3.545 1.863 ( -1.633 1.131 -6.252) 6.559 2.030 ( -3.624 4.758 -0.756) 6.029 2.237 ( -2.042 3.569 -3.348) 5.302 2.342 ( 1.175 -3.828 -11.468) 12.147 2.495 ( 4.248 -6.881 -7.415) 10.972 2.754 ( -0.051 -3.897 2.104) 4.429 2.914 ( 3.727 -5.251 -1.274) 6.564 2.960 ( 2.298 12.617 15.755) 20.314 3.238 ( 4.593 1.487 5.500) 7.319 3.408 ( 1.536 5.358 0.318) 5.583 3.435 ( 2.258 1.166 1.615) 3.011 3.605 ( 3.927 6.208 -0.232) 7.350 3.704 ( -4.510 -1.260 -2.132) 5.145 4.276 ( -3.431 -6.949 7.696) 10.922 4.638 ( 2.267 -4.420 0.473) 4.990 5.064 ( -1.691 -6.248 -2.689) 7.009 5.238 ( 4.284 -3.778 4.848) 7.493 6.119 ( 9.251 -4.870 2.704) 10.798 6.328 ( -1.580 -1.688 -5.427) 5.899 6.490 ( -2.220 -3.831 3.123) 5.419 6.697 ( 4.450 -1.447 -2.403) 5.260 8.808 ( -1.911 6.443 6.005) 9.013 9.156 ( 2.100 1.234 -5.297) 5.831 9.628 ( -3.108 0.211 2.817) 4.200 9.900 ( 0.896 0.245 -3.695) 3.810 10.277 ( -0.833 -0.234 4.928) 5.004 10.534 ( -1.355 -5.430 1.581) 5.816 10.729 ( -1.357 -3.489 -5.445) 6.608 10.810 ( -3.951 -1.726 -2.101) 4.796 11.886 ( -1.451 0.523 0.539) 1.634 11.938 ( 0.108 -1.325 -0.713) 1.509 12.487 ( -3.236 10.611 1.074) 11.146 12.722 ( 4.639 6.572 -7.427) 10.948 13.421 ( -2.709 -0.190 1.946) 3.341 13.523 ( 2.949 -9.432 -2.621) 10.224 14.359 ( 0.982 2.718 3.947) 4.892 14.596 ( -2.061 2.640 -3.444) 4.804 16.894 ( 0.333 0.534 -0.787) 1.008 16.943 ( 1.609 0.150 -2.236) 2.758 17.484 ( -1.005 0.920 1.206) 1.819 17.526 ( -1.215 1.200 0.241) 1.725 18.137 ( -2.854 -2.202 6.547) 7.474 18.466 ( 3.870 1.615 -3.047) 5.183 23.432 ( -7.450 1.216 9.412) 12.065 23.839 ( -2.335 -9.126 0.113) 9.421 25.415 ( -7.483 -2.368 4.418) 9.007 25.765 ( 6.405 -0.244 -7.205) 9.643 28.010 ( -0.936 -1.827 1.055) 2.308 28.107 ( 1.521 0.734 -1.868) 2.518 28.896 ( -1.026 -0.494 2.284) 2.552 29.074 ( 0.745 -0.146 -3.922) 3.995 29.535 ( -2.583 8.098 -1.274) 8.595 29.597 ( 3.468 7.501 -1.985) 8.499 30.799 ( -7.826 -2.082 8.747) 11.921 31.211 ( 3.769 -4.017 -2.475) 6.039 31.282 ( 0.829 -3.672 0.741) 3.837 31.463 ( 12.226 0.258 -5.495) 13.406 32.246 ( 3.275 1.066 6.336) 7.212 32.706 ( -7.189 -2.232 -6.246) 9.781 101.054 ( 0.692 -0.065 -0.625) 0.935 101.148 ( 0.558 -0.747 -2.786) 2.938 101.612 ( -4.956 -1.281 4.589) 6.875 101.774 ( 11.234 -8.153 0.767) 13.902 ======================= Grid point 213 (109/165) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.433 0.000 3.006) 3.037 1.815 ( 3.948 -0.000 8.446) 9.324 1.897 ( 4.721 -0.000 -0.341) 4.733 1.921 ( -1.424 0.000 -4.255) 4.487 2.000 ( 9.429 -0.000 1.234) 9.510 2.106 ( 9.311 -0.000 6.467) 11.337 2.260 ( -1.118 0.000 -4.584) 4.719 2.575 ( -2.576 0.000 -2.057) 3.296 2.868 ( 2.285 -0.000 -9.613) 9.881 2.999 ( -4.924 0.000 -0.366) 4.938 3.152 ( 9.760 -0.000 -10.649) 14.445 3.260 ( 4.369 -0.000 -4.218) 6.072 3.447 ( 0.059 -0.000 -0.612) 0.615 3.467 ( 1.716 -0.000 -2.129) 2.735 3.700 ( 2.802 -0.000 -6.382) 6.970 3.785 ( 7.324 -0.000 2.842) 7.856 4.464 ( -3.467 0.000 6.396) 7.275 4.825 ( 3.312 -0.000 0.837) 3.416 5.129 ( -4.657 0.000 7.608) 8.920 5.314 ( -3.063 0.000 -13.631) 13.971 5.996 ( -6.576 0.000 -4.068) 7.732 6.354 ( -6.794 0.000 -0.001) 6.794 6.479 ( 1.100 -0.000 -11.663) 11.715 6.546 ( -8.596 0.000 -4.138) 9.540 8.756 ( -2.965 0.000 4.041) 5.012 9.108 ( 6.309 -0.000 -5.728) 8.521 9.691 ( 0.081 -0.000 5.624) 5.625 9.950 ( 4.786 -0.000 -0.227) 4.792 10.400 ( -3.071 0.000 11.655) 12.052 10.523 ( -4.119 0.000 -0.674) 4.173 10.616 ( 1.733 -0.000 -4.947) 5.242 10.833 ( 3.425 -0.000 5.730) 6.676 11.951 ( 0.856 -0.000 2.834) 2.960 11.956 ( 0.716 -0.000 -0.987) 1.219 12.255 ( -1.055 0.000 5.113) 5.221 12.633 ( 4.628 -0.000 -3.906) 6.056 13.488 ( -1.277 0.000 2.793) 3.071 13.745 ( 2.515 -0.000 -4.447) 5.109 14.318 ( -1.024 0.000 3.230) 3.388 14.363 ( -1.998 0.000 -2.668) 3.333 16.853 ( -0.963 0.000 0.120) 0.971 16.962 ( 1.256 -0.000 -2.475) 2.775 17.462 ( -1.177 0.000 2.441) 2.710 17.516 ( 1.074 -0.000 -0.017) 1.075 18.129 ( -3.089 0.000 3.462) 4.640 18.393 ( -2.130 0.000 -2.599) 3.360 23.456 ( -1.796 0.000 11.092) 11.236 23.746 ( -7.784 0.000 7.575) 10.862 25.234 ( -1.596 0.000 -2.082) 2.623 25.812 ( -2.709 0.000 -1.208) 2.966 28.061 ( 0.770 -0.000 -0.375) 0.856 28.093 ( -0.020 0.000 -0.622) 0.622 28.887 ( -2.489 0.000 2.988) 3.888 29.014 ( 0.677 -0.000 -2.715) 2.798 29.274 ( -1.212 0.000 2.028) 2.363 29.608 ( 4.201 -0.000 -2.106) 4.699 30.594 ( -5.029 0.000 4.989) 7.084 31.286 ( -3.364 0.000 0.661) 3.428 31.576 ( 5.493 -0.000 -3.618) 6.578 31.990 ( 16.789 -0.000 -4.254) 17.319 32.130 ( -9.025 0.000 -14.140) 16.775 32.515 ( -0.746 0.000 8.123) 8.157 101.099 ( 1.010 -0.000 1.258) 1.613 101.150 ( 2.020 -0.000 -4.420) 4.860 101.396 ( -7.280 0.000 0.013) 7.280 102.012 ( -2.335 0.000 -7.014) 7.393 ======================= Grid point 214 (110/165) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -3.347 9.534 0.883) 10.143 1.791 ( 3.933 7.764 0.784) 8.739 1.887 ( -0.787 -2.280 -1.018) 2.618 1.981 ( 7.059 2.629 -1.588) 7.698 2.103 ( 7.611 -1.202 -0.059) 7.705 2.209 ( -2.652 1.891 1.754) 3.699 2.352 ( 5.998 -11.741 1.789) 13.305 2.553 ( -6.155 -3.722 3.196) 7.871 2.830 ( 6.135 2.288 -9.781) 11.770 2.911 ( -4.110 4.059 -2.755) 6.399 3.208 ( 6.375 -2.754 -6.890) 9.783 3.278 ( 3.665 0.689 -6.824) 7.776 3.445 ( 0.977 0.625 -1.207) 1.674 3.468 ( 0.507 0.238 -1.543) 1.641 3.675 ( 0.753 0.908 -6.405) 6.513 3.902 ( 6.983 -4.669 -1.107) 8.473 4.412 ( -3.211 5.513 3.654) 7.352 4.812 ( 2.431 6.255 1.140) 6.807 5.101 ( -4.202 1.130 3.891) 5.837 5.167 ( -4.702 2.093 -16.167) 16.966 5.924 ( -4.508 -1.429 -3.608) 5.949 6.276 ( -4.163 2.270 -2.060) 5.170 6.385 ( -3.144 -0.112 -5.836) 6.630 6.463 ( -6.558 -1.887 -6.264) 9.263 8.766 ( -3.810 -3.178 3.394) 6.011 9.157 ( 5.612 -1.254 -5.687) 8.088 9.723 ( 0.558 0.401 6.682) 6.718 9.981 ( 4.550 3.099 0.595) 5.537 10.413 ( -6.798 -1.032 8.817) 11.181 10.480 ( 0.616 3.478 3.618) 5.056 10.623 ( 3.271 0.228 -4.044) 5.206 10.874 ( 3.086 2.911 6.324) 7.615 11.943 ( 0.106 1.999 1.067) 2.268 11.969 ( 0.658 -0.142 -0.148) 0.690 12.332 ( 0.177 -5.930 5.691) 8.221 12.699 ( 4.109 -4.449 -3.616) 7.053 13.445 ( -1.305 4.591 1.379) 4.968 13.728 ( 2.577 2.049 -3.941) 5.135 14.320 ( -1.522 0.227 -2.005) 2.527 14.380 ( -1.406 -5.435 2.209) 6.033 16.850 ( -0.868 -0.631 0.272) 1.107 16.962 ( 1.191 -0.091 -2.397) 2.678 17.478 ( -1.217 -1.639 2.890) 3.539 17.531 ( 0.924 -0.330 0.221) 1.006 18.112 ( -2.820 0.710 3.783) 4.771 18.359 ( -2.536 -1.021 -2.734) 3.866 23.498 ( -0.886 0.687 10.438) 10.498 23.702 ( -7.759 1.264 9.878) 12.624 25.226 ( 0.424 -1.479 -2.568) 2.994 25.759 ( -4.169 0.513 -2.237) 4.760 28.036 ( 0.099 2.454 0.302) 2.474 28.111 ( 0.538 -1.509 -1.339) 2.088 28.875 ( -2.488 0.103 2.876) 3.804 29.018 ( 1.383 -0.822 -2.578) 3.039 29.319 ( -0.296 -4.811 2.786) 5.567 29.669 ( 3.356 -3.746 -2.379) 5.564 30.587 ( -3.147 -0.825 5.718) 6.579 31.214 ( -3.284 4.568 0.775) 5.679 31.581 ( 3.860 2.358 -6.125) 7.614 31.917 ( -5.582 4.974 -16.872) 18.454 32.142 ( 14.079 0.581 0.376) 14.096 32.569 ( -2.833 -3.304 6.802) 8.075 101.112 ( 0.939 0.642 0.618) 1.295 101.143 ( 1.646 0.245 -4.235) 4.550 101.329 ( -4.915 -0.488 -0.530) 4.968 101.916 ( -3.679 2.767 -5.850) 7.444 ======================= Grid point 215 (111/165) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -0.552 9.802 -2.973) 10.258 1.721 ( 4.409 6.817 -0.490) 8.133 1.907 ( -0.510 2.785 3.318) 4.362 1.954 ( 2.396 0.709 -1.818) 3.090 2.158 ( 0.084 3.078 2.006) 3.675 2.183 ( 0.023 -1.201 -0.418) 1.272 2.469 ( -4.838 -1.706 -4.456) 6.795 2.638 ( -2.730 -9.184 -4.410) 10.548 2.791 ( -0.128 3.769 -0.399) 3.792 2.858 ( 7.156 -1.819 -2.941) 7.948 3.223 ( 4.322 5.753 -6.819) 9.914 3.284 ( 1.898 -2.328 0.525) 3.049 3.419 ( -2.800 0.984 1.194) 3.199 3.459 ( 1.787 0.286 -4.851) 5.177 3.627 ( -0.453 0.891 -4.094) 4.214 4.061 ( 5.106 -6.743 -3.441) 9.132 4.272 ( -2.380 8.021 0.964) 8.422 4.697 ( 0.950 10.121 0.358) 10.171 4.989 ( -5.064 2.429 -13.013) 14.173 5.064 ( -1.899 0.402 -0.471) 1.997 5.912 ( -1.226 -2.717 -2.174) 3.690 6.204 ( 0.341 1.103 -2.857) 3.081 6.377 ( -1.808 -4.279 -3.068) 5.568 6.390 ( -6.255 -1.691 -4.620) 7.958 8.820 ( -3.703 -6.129 3.286) 7.879 9.180 ( 2.753 0.900 -4.190) 5.094 9.775 ( 1.526 -1.075 5.923) 6.210 9.943 ( 2.602 6.794 1.380) 7.405 10.402 ( -5.641 -2.192 2.870) 6.698 10.460 ( 0.352 3.950 7.726) 8.684 10.607 ( 3.632 3.570 -3.471) 6.163 10.892 ( 3.011 2.918 5.517) 6.929 11.905 ( -0.476 2.732 1.198) 3.020 11.975 ( 0.252 -0.035 -0.354) 0.436 12.494 ( 1.759 -8.829 3.759) 9.756 12.800 ( 2.722 -5.050 -3.457) 6.698 13.353 ( -0.556 5.259 0.181) 5.292 13.687 ( 1.020 3.405 -3.128) 4.735 14.297 ( 0.657 0.283 -1.204) 1.401 14.477 ( -2.427 -6.971 1.395) 7.512 16.857 ( -0.529 -1.063 -0.043) 1.188 16.964 ( 1.230 -0.068 -2.179) 2.503 17.514 ( -1.578 -2.299 2.874) 4.004 17.545 ( 0.359 -0.101 0.694) 0.788 18.088 ( -3.298 1.080 4.849) 5.962 18.353 ( -0.604 -2.397 -2.766) 3.709 23.531 ( -0.405 1.102 9.075) 9.151 23.651 ( -7.673 1.951 10.822) 13.408 25.259 ( 0.855 -2.809 -1.235) 3.185 25.696 ( -2.810 -0.216 -4.535) 5.339 28.002 ( -0.337 1.975 1.082) 2.276 28.127 ( 0.844 -0.642 -2.126) 2.376 28.866 ( -2.137 -0.169 2.675) 3.427 29.036 ( 1.878 -0.939 -2.708) 3.427 29.445 ( 0.911 -7.747 3.109) 8.398 29.759 ( 2.059 -4.876 -2.552) 5.876 30.618 ( -1.713 -1.881 6.972) 7.422 31.099 ( -2.578 5.687 1.057) 6.333 31.507 ( 0.995 5.090 -9.514) 10.836 31.697 ( -1.049 5.635 -13.980) 15.109 32.260 ( 10.972 2.526 1.471) 11.355 32.625 ( -4.760 -4.235 5.174) 8.207 101.101 ( 1.018 1.282 -2.193) 2.737 101.131 ( -0.153 -0.125 -2.383) 2.391 101.318 ( -0.460 -1.753 0.931) 2.037 101.794 ( -4.151 3.340 -4.012) 6.669 ======================= Grid point 216 (112/165) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 8.744 -1.553 -1.350) 8.983 1.622 ( 0.033 9.817 1.605) 9.947 1.862 ( 4.849 6.302 7.825) 11.156 2.000 ( -4.094 -6.167 -3.785) 8.314 2.114 ( -1.442 1.294 -0.672) 2.050 2.158 ( -1.192 1.510 -0.616) 2.020 2.360 ( -9.805 0.184 -2.726) 10.178 2.671 ( 5.379 0.455 -12.007) 13.164 2.750 ( -0.212 1.739 0.893) 1.966 2.880 ( -3.941 3.069 -9.150) 10.425 3.219 ( 6.850 -0.991 5.771) 9.012 3.312 ( -0.448 1.800 1.988) 2.719 3.394 ( -3.116 -2.773 2.969) 5.120 3.453 ( 1.065 -0.617 -2.683) 2.951 3.607 ( 1.255 0.021 -2.216) 2.547 4.008 ( -2.249 11.752 0.113) 11.966 4.289 ( 2.037 -8.490 -2.729) 9.148 4.527 ( 1.599 11.715 -1.066) 11.871 4.859 ( -4.406 -0.854 -8.740) 9.825 5.054 ( 0.241 -1.322 -1.852) 2.288 5.949 ( 0.533 -2.424 0.312) 2.502 6.217 ( 2.843 -1.804 -2.928) 4.462 6.347 ( -4.650 -2.796 -1.699) 5.686 6.443 ( 1.318 -6.301 -3.396) 7.279 8.918 ( -2.787 -7.794 3.133) 8.850 9.139 ( -0.037 3.978 -0.498) 4.009 9.839 ( 2.937 2.599 2.182) 4.488 9.852 ( -0.276 3.369 1.723) 3.794 10.389 ( -2.320 0.750 1.868) 3.072 10.441 ( -0.342 2.858 5.697) 6.383 10.573 ( 1.175 1.036 -1.707) 2.316 10.890 ( 1.735 3.459 2.046) 4.377 11.871 ( -0.402 1.526 1.443) 2.138 11.968 ( -0.486 0.461 -0.757) 1.011 12.676 ( 3.440 -8.030 0.393) 8.745 12.854 ( 0.724 -1.027 -3.406) 3.631 13.287 ( 0.901 2.746 0.250) 2.901 13.595 ( -2.186 4.920 -2.758) 6.049 14.326 ( 3.782 -0.832 1.208) 4.056 14.554 ( -3.456 -5.845 -0.522) 6.810 16.871 ( 0.043 -1.125 -0.597) 1.274 16.964 ( 1.241 0.194 -2.095) 2.443 17.540 ( -1.583 -1.306 1.549) 2.571 17.545 ( -0.844 0.540 1.593) 1.882 18.071 ( -3.479 0.124 6.408) 7.293 18.393 ( 2.089 -3.156 -2.565) 4.572 23.546 ( -3.367 1.802 9.030) 9.805 23.609 ( -4.506 0.790 9.313) 10.376 25.307 ( -1.155 -2.958 1.194) 3.393 25.671 ( 1.081 -2.042 -7.110) 7.476 27.980 ( -0.679 0.957 1.631) 2.009 28.128 ( 1.122 0.040 -2.673) 2.899 28.865 ( -1.747 -0.561 2.503) 3.103 29.054 ( 2.012 -0.659 -3.164) 3.807 29.601 ( 2.007 -6.647 2.466) 7.368 29.820 ( 0.765 -2.034 -2.636) 3.416 30.684 ( -1.340 -2.406 8.627) 9.055 31.014 ( -0.976 2.078 0.630) 2.381 31.340 ( -3.052 5.811 -9.357) 11.430 31.579 ( 5.760 3.945 -11.789) 13.701 32.306 ( 5.629 4.063 3.639) 7.839 32.657 ( -5.023 -3.474 1.740) 6.350 101.077 ( 0.764 1.042 -2.465) 2.783 101.120 ( -0.518 -0.691 -2.421) 2.570 101.384 ( 2.989 -3.229 2.933) 5.288 101.686 ( -4.203 2.194 -1.890) 5.104 ======================= Grid point 217 (113/165) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -4.206 10.373 5.874) 12.641 1.568 ( 14.200 -10.917 1.179) 17.950 1.900 ( 7.510 5.258 11.302) 14.553 1.952 ( -2.833 2.135 -6.590) 7.484 2.053 ( -6.435 -1.329 -1.577) 6.758 2.192 ( -3.943 -2.344 -0.519) 4.616 2.282 ( -1.607 -3.948 -1.775) 4.617 2.552 ( -1.336 8.792 -10.970) 14.122 2.719 ( -0.337 1.951 -2.716) 3.361 2.778 ( 2.611 -1.220 -3.067) 4.209 3.243 ( -2.775 1.546 -0.863) 3.292 3.311 ( 4.090 3.050 4.242) 6.635 3.463 ( 1.070 0.155 0.298) 1.122 3.515 ( -2.393 -8.503 5.004) 10.152 3.630 ( 3.179 0.213 3.855) 5.002 3.774 ( -2.953 12.270 1.144) 12.672 4.338 ( 0.100 7.953 -2.444) 8.320 4.443 ( 3.321 -5.623 -2.808) 7.108 4.839 ( -3.071 -5.864 -4.083) 7.777 5.100 ( 2.070 -4.119 -1.480) 4.842 6.001 ( 1.048 -2.586 2.073) 3.476 6.253 ( -0.116 -2.582 -4.542) 5.226 6.368 ( -1.804 -3.694 1.781) 4.480 6.563 ( 4.192 -6.575 -3.793) 8.671 9.017 ( -1.149 -0.532 2.491) 2.794 9.071 ( -1.778 -0.409 2.360) 2.983 9.742 ( -0.101 6.833 2.365) 7.231 9.883 ( 1.382 -1.202 -2.719) 3.279 10.348 ( -0.350 3.584 2.617) 4.451 10.439 ( 0.133 0.812 5.551) 5.612 10.585 ( -1.657 -3.773 -2.523) 4.832 10.840 ( -0.484 3.477 -1.201) 3.710 11.867 ( -0.156 -0.231 1.563) 1.588 11.942 ( -1.004 0.874 -1.309) 1.867 12.794 ( -1.437 3.344 -2.746) 4.559 12.809 ( 4.665 -0.895 -3.400) 5.841 13.301 ( 2.615 -2.162 0.944) 3.522 13.473 ( -3.419 3.893 -2.056) 5.574 14.397 ( 4.264 -0.354 3.187) 5.335 14.582 ( -4.095 -3.590 -2.375) 5.942 16.887 ( 0.735 -0.855 -0.937) 1.466 16.959 ( 1.154 0.566 -2.250) 2.591 17.525 ( -1.074 1.295 1.282) 2.115 17.545 ( -1.293 -0.148 1.339) 1.867 18.083 ( -3.403 -1.120 7.541) 8.348 18.455 ( 3.029 -2.454 -3.109) 4.987 23.497 ( -6.790 2.783 9.593) 12.078 23.645 ( -1.388 -2.425 6.824) 7.374 25.337 ( -3.372 -2.266 2.902) 4.993 25.702 ( 4.134 -3.214 -8.169) 9.703 27.974 ( -1.052 -0.127 1.761) 2.055 28.123 ( 1.556 0.290 -2.788) 3.207 28.874 ( -1.491 -0.834 2.399) 2.945 29.063 ( 1.845 -0.280 -3.625) 4.077 29.693 ( 0.838 -0.555 0.584) 1.162 29.804 ( 1.251 3.073 -2.626) 4.232 30.742 ( -3.701 -1.207 9.519) 10.284 31.040 ( 2.003 -4.430 -0.263) 4.868 31.202 ( -3.266 1.398 -4.201) 5.502 31.541 ( 9.711 2.710 -11.913) 15.606 32.307 ( 0.825 3.020 6.417) 7.140 32.645 ( -4.162 -1.439 -2.453) 5.041 101.060 ( 0.569 0.473 -1.593) 1.756 101.118 ( 0.179 -1.038 -2.698) 2.897 101.510 ( 3.199 -4.924 3.654) 6.916 101.623 ( -2.555 -0.472 0.105) 2.600 ======================= Grid point 218 (114/165) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -4.234 3.807 8.383) 10.133 1.806 ( 1.578 1.794 3.114) 3.925 1.887 ( 5.161 2.095 -4.780) 7.340 1.907 ( -0.742 5.447 9.353) 10.850 2.040 ( 2.510 -1.563 0.559) 3.009 2.136 ( -4.603 -4.510 -6.283) 9.000 2.347 ( 3.468 7.055 -7.812) 11.083 2.402 ( 3.281 -5.163 -3.340) 6.970 2.721 ( 1.244 -1.933 -0.169) 2.304 2.856 ( 4.554 -5.276 -2.621) 7.447 3.194 ( -1.650 3.578 4.093) 5.682 3.324 ( 2.992 2.043 6.136) 7.126 3.467 ( -1.035 2.840 4.733) 5.616 3.536 ( -1.214 6.795 -0.990) 6.973 3.569 ( -3.341 -3.130 -3.331) 5.661 3.764 ( 7.082 1.260 3.443) 7.975 4.239 ( -0.495 1.674 2.269) 2.863 4.553 ( 1.350 -6.654 -3.949) 7.855 4.919 ( -2.439 -7.809 1.191) 8.267 5.209 ( 3.198 -6.135 -0.951) 6.983 6.099 ( 3.104 -6.275 0.733) 7.039 6.243 ( -3.226 -1.733 -4.776) 6.019 6.427 ( -1.315 -3.356 3.111) 4.761 6.671 ( 2.779 -4.024 -3.914) 6.264 8.931 ( -1.691 7.027 4.768) 8.659 9.140 ( 0.500 -3.479 -1.253) 3.731 9.655 ( -1.058 4.537 2.775) 5.422 9.889 ( 1.169 -0.566 -4.329) 4.519 10.315 ( -0.056 2.145 4.100) 4.627 10.479 ( -0.360 -1.779 5.891) 6.164 10.618 ( -1.831 -4.694 -4.262) 6.599 10.769 ( -2.205 2.012 -2.412) 3.838 11.876 ( -1.197 -0.243 0.958) 1.552 11.923 ( 0.358 -0.398 -0.542) 0.762 12.633 ( -2.368 10.117 -0.870) 10.427 12.824 ( 4.622 3.605 -5.692) 8.171 13.386 ( -2.496 -0.889 -1.062) 2.854 13.424 ( 3.711 -5.216 0.491) 6.420 14.442 ( 2.461 2.259 4.208) 5.372 14.557 ( -4.255 -0.914 -3.449) 5.553 16.898 ( 0.729 0.019 -0.932) 1.184 16.950 ( 1.366 0.327 -2.380) 2.763 17.501 ( -0.828 1.203 1.503) 2.095 17.537 ( -0.349 0.919 1.047) 1.436 18.112 ( -3.635 -1.651 7.315) 8.334 18.487 ( 2.034 -0.494 -4.210) 4.701 23.439 ( -6.117 2.080 9.259) 11.290 23.715 ( -3.029 -4.528 5.238) 7.557 25.341 ( -4.367 -1.245 3.067) 5.479 25.757 ( 4.465 -2.804 -6.975) 8.744 27.981 ( -1.199 -1.093 1.468) 2.188 28.122 ( 1.851 0.354 -2.450) 3.091 28.885 ( -1.506 -0.812 2.392) 2.941 29.062 ( 1.490 0.089 -3.678) 3.969 29.620 ( -2.939 6.698 -1.075) 7.393 29.746 ( 4.095 6.151 -2.080) 7.676 30.745 ( -7.069 -0.324 8.043) 10.713 31.136 ( -0.699 -4.395 -0.537) 4.483 31.223 ( 3.340 -6.430 0.072) 7.246 31.572 ( 13.191 0.445 -11.287) 17.367 32.305 ( -3.794 0.036 6.964) 7.931 32.597 ( -1.823 0.773 -4.168) 4.615 101.056 ( 0.544 -0.062 -0.653) 0.852 101.125 ( 0.946 -1.037 -2.872) 3.197 101.551 ( -5.471 -1.514 2.360) 6.147 101.734 ( 5.862 -7.937 0.774) 9.898 ======================= Grid point 222 (115/165) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -4.317 0.000 -2.380) 4.930 1.835 ( -1.240 0.000 -3.685) 3.888 1.951 ( -1.397 0.000 7.523) 7.652 2.034 ( 8.226 -0.000 -1.777) 8.416 2.162 ( 1.638 -0.000 -1.147) 2.000 2.255 ( 4.524 -0.000 3.134) 5.503 2.305 ( 7.567 -0.000 -2.007) 7.829 2.425 ( -11.892 0.000 0.060) 11.892 2.888 ( 8.850 -0.000 -6.608) 11.045 2.916 ( -1.796 0.000 -0.342) 1.828 3.185 ( 2.997 -0.000 -5.814) 6.541 3.276 ( 2.650 -0.000 -6.941) 7.430 3.455 ( 0.762 -0.000 -4.619) 4.681 3.456 ( -1.496 0.000 0.435) 1.558 3.647 ( -0.581 0.000 -6.668) 6.693 3.917 ( 5.928 -0.000 -4.489) 7.436 4.454 ( 0.030 -0.000 0.211) 0.213 4.851 ( -3.836 0.000 -8.444) 9.275 5.065 ( -5.500 0.000 1.043) 5.598 5.067 ( -1.727 0.000 -8.659) 8.830 5.854 ( -2.008 0.000 -3.067) 3.665 6.238 ( -3.770 0.000 -0.415) 3.793 6.314 ( -7.554 0.000 -3.797) 8.455 6.332 ( -1.565 0.000 -11.487) 11.593 8.713 ( -4.373 0.000 3.329) 5.496 9.176 ( 5.739 -0.000 -6.555) 8.712 9.769 ( 0.240 -0.000 7.234) 7.238 10.071 ( 5.094 -0.000 2.017) 5.479 10.368 ( -7.834 0.000 7.508) 10.851 10.580 ( 3.336 -0.000 8.198) 8.851 10.632 ( 3.433 -0.000 -3.401) 4.833 10.966 ( 2.907 -0.000 5.606) 6.314 11.962 ( 0.606 -0.000 -0.578) 0.837 11.973 ( -0.332 0.000 0.363) 0.492 12.321 ( 0.191 -0.000 7.318) 7.320 12.687 ( 4.077 -0.000 -3.574) 5.421 13.476 ( -2.447 0.000 2.043) 3.188 13.743 ( 2.312 -0.000 -4.882) 5.402 14.313 ( 0.264 -0.000 -2.195) 2.211 14.317 ( -1.978 0.000 1.679) 2.595 16.838 ( -1.032 0.000 0.976) 1.420 16.961 ( 1.257 -0.000 -2.297) 2.618 17.469 ( -0.998 0.000 3.284) 3.433 17.539 ( 0.789 -0.000 0.369) 0.871 18.114 ( -1.656 0.000 3.033) 3.455 18.300 ( -3.770 0.000 -2.214) 4.372 23.557 ( -0.400 0.000 10.510) 10.517 23.689 ( -7.693 0.000 11.187) 13.577 25.211 ( 2.220 -0.000 -3.105) 3.817 25.692 ( -6.073 0.000 -2.562) 6.592 28.077 ( 1.112 -0.000 -0.488) 1.215 28.079 ( -0.620 0.000 -0.491) 0.791 28.863 ( -2.765 0.000 3.051) 4.117 29.017 ( 2.367 -0.000 -2.488) 3.434 29.296 ( 0.009 -0.000 3.802) 3.802 29.656 ( 2.723 -0.000 -2.885) 3.967 30.589 ( -1.626 0.000 6.682) 6.877 31.222 ( -3.170 0.000 0.824) 3.275 31.592 ( 1.465 -0.000 -7.025) 7.176 31.798 ( -5.917 0.000 -15.267) 16.374 32.311 ( 15.929 -0.000 -1.908) 16.043 32.541 ( -4.046 0.000 5.862) 7.123 101.124 ( -0.407 0.000 -0.246) 0.476 101.135 ( 1.735 -0.000 -5.502) 5.768 101.283 ( -2.091 0.000 0.814) 2.244 101.856 ( -4.920 0.000 -6.272) 7.971 ======================= Grid point 223 (116/165) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -3.988 7.308 -2.689) 8.749 1.808 ( 0.338 -0.212 -5.019) 5.035 1.910 ( -1.404 3.334 4.220) 5.558 2.109 ( 1.858 7.355 3.760) 8.466 2.144 ( 1.531 -2.973 -0.559) 3.391 2.234 ( -0.299 4.519 -0.703) 4.583 2.330 ( -8.566 -2.179 -2.252) 9.121 2.473 ( 5.700 -9.212 -3.110) 11.271 2.860 ( 0.407 4.665 -0.289) 4.691 2.925 ( 6.625 2.639 -3.882) 8.119 3.231 ( 0.542 -4.847 -1.391) 5.072 3.265 ( 2.357 -0.230 -7.158) 7.540 3.391 ( -5.662 1.018 -2.598) 6.313 3.446 ( -2.145 -0.076 -0.216) 2.158 3.602 ( -0.632 -0.133 -4.306) 4.354 3.981 ( 4.935 -4.670 -7.026) 9.774 4.404 ( 2.873 7.068 -3.250) 8.293 4.690 ( -9.602 -0.219 -15.148) 17.936 4.984 ( -1.252 4.302 -1.341) 4.677 5.038 ( -1.676 0.875 0.200) 1.901 5.858 ( 1.793 -2.286 -1.719) 3.376 6.196 ( -0.224 0.332 -3.608) 3.630 6.253 ( -5.021 -2.615 -3.085) 6.447 6.280 ( -1.220 -2.779 -7.864) 8.429 8.717 ( -4.132 -3.598 4.016) 6.793 9.192 ( 4.076 0.089 -7.000) 8.100 9.812 ( -0.109 -0.114 7.608) 7.610 10.093 ( 3.732 5.034 2.572) 6.773 10.333 ( -6.825 -0.792 6.393) 9.385 10.594 ( 2.782 4.759 4.356) 7.026 10.676 ( 3.862 1.063 0.809) 4.086 11.002 ( 2.995 2.655 4.597) 6.095 11.945 ( -0.527 2.020 0.375) 2.121 11.972 ( 0.109 -0.189 -0.548) 0.590 12.413 ( 0.575 -5.736 6.298) 8.538 12.738 ( 3.254 -3.620 -3.964) 6.278 13.423 ( -2.382 3.833 2.004) 4.938 13.722 ( 1.518 2.204 -4.732) 5.436 14.307 ( 1.904 -0.358 -0.973) 2.168 14.350 ( -2.566 -4.831 0.278) 5.477 16.839 ( -0.857 -0.641 1.056) 1.503 16.964 ( 1.386 -0.104 -2.077) 2.499 17.490 ( -0.728 -1.136 3.511) 3.761 17.550 ( 0.249 -0.161 0.624) 0.691 18.102 ( -2.149 1.449 3.425) 4.295 18.276 ( -2.394 -3.158 -2.134) 4.501 23.600 ( -0.567 1.211 9.734) 9.826 23.663 ( -7.035 1.344 11.648) 13.674 25.236 ( 2.804 -1.221 -1.726) 3.512 25.617 ( -4.967 -0.989 -4.267) 6.623 28.039 ( -0.315 2.322 0.467) 2.390 28.108 ( 0.665 -1.364 -1.378) 2.049 28.853 ( -2.567 -0.174 2.990) 3.944 29.036 ( 3.024 -0.431 -2.733) 4.098 29.364 ( 0.469 -5.208 4.419) 6.846 29.691 ( 1.565 -3.454 -3.315) 5.037 30.626 ( -0.638 -0.867 8.063) 8.135 31.161 ( -2.531 4.096 1.386) 5.010 31.521 ( -1.870 3.551 -9.456) 10.272 31.657 ( -1.326 1.143 -13.897) 14.007 32.435 ( 11.297 3.047 -0.459) 11.710 32.547 ( -3.119 -2.743 3.710) 5.570 101.106 ( -1.309 -0.154 -2.169) 2.538 101.112 ( 1.222 0.880 -5.181) 5.396 101.304 ( 1.324 -1.526 3.027) 3.639 101.754 ( -5.383 1.405 -5.600) 7.894 ======================= Grid point 224 (117/165) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 2.057 1.022 0.226) 2.308 1.747 ( -1.133 4.626 -8.582) 9.815 1.880 ( -4.886 -1.178 3.867) 6.342 2.036 ( 0.834 4.876 7.725) 9.173 2.159 ( 0.209 0.733 -3.312) 3.399 2.163 ( 1.625 4.745 1.710) 5.299 2.246 ( -7.795 0.153 -0.107) 7.797 2.629 ( 5.200 -4.914 -7.771) 10.563 2.790 ( -0.238 3.790 -0.450) 3.824 2.874 ( -0.456 4.543 -6.501) 7.944 3.243 ( -5.494 -0.549 -0.197) 5.525 3.306 ( -2.739 -4.064 0.464) 4.923 3.320 ( 0.611 -1.219 -0.516) 1.458 3.431 ( -1.017 -1.249 -0.416) 1.664 3.605 ( 2.163 -1.082 -2.121) 3.217 4.072 ( 3.096 -4.839 -9.579) 11.170 4.277 ( 1.643 8.080 -0.135) 8.246 4.534 ( -8.377 -1.990 -11.658) 14.493 4.879 ( 1.053 7.661 -0.147) 7.735 5.010 ( -1.333 -0.625 -2.125) 2.586 5.928 ( 3.317 -2.304 0.620) 4.086 6.185 ( -0.150 -1.342 -6.426) 6.566 6.244 ( -0.768 -3.499 -1.395) 3.844 6.330 ( 1.700 -6.548 -4.538) 8.146 8.785 ( -3.462 -6.701 4.718) 8.896 9.177 ( 2.025 1.488 -5.290) 5.856 9.850 ( -0.853 -0.364 5.605) 5.681 10.018 ( 1.457 8.877 3.040) 9.496 10.329 ( -4.942 -2.636 4.193) 6.996 10.563 ( 2.937 4.922 2.799) 6.379 10.659 ( 2.308 5.784 1.979) 6.534 10.990 ( 2.274 4.726 1.285) 5.400 11.905 ( -0.612 2.225 1.245) 2.622 11.967 ( -0.276 0.455 -0.742) 0.913 12.571 ( 1.161 -8.668 3.450) 9.401 12.807 ( 2.219 -3.531 -4.845) 6.393 13.355 ( -0.449 3.495 2.779) 4.488 13.639 ( -0.856 5.215 -4.445) 6.905 14.359 ( 4.405 -1.826 0.553) 4.800 14.405 ( -3.845 -5.971 -0.769) 7.144 16.852 ( -0.196 -1.111 0.556) 1.258 16.968 ( 1.392 0.041 -2.066) 2.492 17.521 ( -0.506 -1.015 3.087) 3.288 17.552 ( -0.452 0.258 0.742) 0.907 18.073 ( -3.306 0.795 5.086) 6.118 18.324 ( 0.343 -5.050 -2.464) 5.630 23.599 ( -4.707 3.062 10.498) 11.905 23.642 ( -2.725 1.263 9.352) 9.822 25.278 ( 1.302 -1.234 0.912) 2.012 25.589 ( -0.752 -3.256 -6.500) 7.309 28.005 ( -0.663 1.843 1.287) 2.344 28.121 ( 0.956 -0.527 -2.174) 2.433 28.849 ( -2.159 -0.539 2.839) 3.607 29.058 ( 3.178 -0.128 -3.285) 4.573 29.511 ( 1.121 -8.164 4.186) 9.243 29.752 ( 0.429 -4.633 -3.507) 5.826 30.691 ( -0.461 -1.642 9.396) 9.550 31.069 ( -1.482 4.972 1.300) 5.348 31.352 ( -3.162 5.948 -9.278) 11.466 31.585 ( 2.853 0.043 -13.106) 13.413 32.429 ( -1.922 3.580 3.695) 5.492 32.606 ( 4.880 -0.857 -0.761) 5.013 101.082 ( 0.745 0.729 -3.933) 4.069 101.088 ( -0.602 -0.600 -2.585) 2.722 101.383 ( 2.780 -2.794 4.011) 5.623 101.645 ( -5.331 1.197 -4.159) 6.866 ======================= Grid point 225 (118/165) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -1.628 -1.280 -2.576) 3.305 1.606 ( 3.688 -1.309 -1.269) 4.114 1.893 ( -4.723 -3.921 3.981) 7.317 2.007 ( -0.997 4.376 1.816) 4.842 2.080 ( -6.902 3.669 -1.084) 7.891 2.167 ( 7.724 1.816 3.927) 8.853 2.232 ( 1.575 -2.130 4.431) 5.162 2.607 ( 0.997 5.595 -9.431) 11.011 2.722 ( -2.112 2.085 -3.333) 4.463 2.783 ( 1.613 0.271 -3.231) 3.621 3.162 ( -8.705 -2.080 -3.645) 9.664 3.348 ( 0.247 -1.143 0.589) 1.310 3.395 ( -1.456 -4.862 3.866) 6.380 3.464 ( 0.969 -2.793 -0.050) 2.957 3.659 ( 3.627 -2.313 1.563) 4.577 3.988 ( 0.165 11.118 -3.145) 11.555 4.272 ( -0.749 -5.009 -2.142) 5.499 4.444 ( -3.103 -1.194 -8.237) 8.883 4.789 ( 1.554 4.501 2.372) 5.319 5.022 ( 0.441 -4.210 -4.423) 6.122 5.986 ( 0.968 -1.194 1.817) 2.380 6.173 ( -1.422 -2.307 -5.000) 5.687 6.312 ( 1.649 -3.693 0.234) 4.051 6.464 ( 4.470 -8.062 -4.341) 10.189 8.904 ( -2.676 -8.346 4.644) 9.919 9.129 ( 0.328 3.630 -1.609) 3.985 9.852 ( -1.593 1.890 1.313) 2.799 9.904 ( 0.505 6.695 2.523) 7.173 10.350 ( -2.958 -2.651 2.255) 4.568 10.540 ( 3.575 3.535 1.857) 5.360 10.580 ( -0.335 6.260 3.465) 7.162 10.908 ( 0.226 6.203 -2.346) 6.636 11.882 ( -0.392 1.105 1.844) 2.185 11.944 ( -0.439 1.137 -0.983) 1.566 12.730 ( 1.069 -7.088 -0.414) 7.180 12.828 ( 1.530 -0.175 -4.711) 4.957 13.344 ( 2.333 1.485 3.849) 4.740 13.504 ( -2.167 5.718 -3.800) 7.199 14.434 ( -3.356 -4.790 -1.164) 5.963 14.460 ( 3.650 -2.050 1.274) 4.376 16.875 ( 0.730 -1.217 -0.118) 1.424 16.966 ( 1.219 0.428 -2.352) 2.684 17.530 ( -1.478 0.383 1.303) 2.007 17.554 ( 0.764 0.237 2.059) 2.209 18.069 ( -3.755 -0.706 6.788) 7.789 18.399 ( 1.135 -4.695 -3.400) 5.907 23.539 ( -5.613 3.972 9.811) 11.981 23.654 ( -2.343 0.242 8.123) 8.458 25.310 ( -0.031 -0.573 2.695) 2.756 25.629 ( 2.894 -4.658 -7.507) 9.297 27.980 ( -1.005 1.070 1.702) 2.248 28.125 ( 1.394 -0.163 -2.630) 2.981 28.856 ( -1.707 -0.853 2.647) 3.263 29.069 ( 2.864 0.332 -3.639) 4.643 29.659 ( 0.299 -5.143 2.101) 5.564 29.801 ( 0.828 -2.924 -3.087) 4.332 30.750 ( -2.905 -0.020 9.513) 9.947 31.022 ( 1.549 -0.331 0.435) 1.642 31.192 ( -2.554 4.508 -4.749) 7.028 31.563 ( 5.695 -1.174 -14.069) 15.223 32.351 ( -7.374 2.560 5.019) 9.281 32.648 ( 5.922 1.982 -1.573) 6.440 101.061 ( 0.362 0.374 -2.183) 2.244 101.088 ( 0.576 -1.175 -2.635) 2.942 101.484 ( 0.720 -3.061 3.481) 4.691 101.574 ( -2.687 -1.448 -1.757) 3.522 ======================= Grid point 226 (119/165) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -5.819 3.258 -2.760) 7.218 1.798 ( -7.744 -8.384 3.054) 11.815 1.911 ( -8.692 0.003 -8.001) 11.814 1.952 ( 6.040 1.668 -2.027) 6.585 1.957 ( 5.042 0.860 6.734) 8.457 2.237 ( 6.152 5.810 6.385) 10.601 2.349 ( 3.937 -4.814 1.296) 6.353 2.479 ( 6.680 5.672 -5.140) 10.159 2.707 ( 1.184 -1.572 -0.593) 2.055 2.809 ( 2.678 -3.346 -4.228) 6.021 3.127 ( -6.619 -5.477 0.499) 8.606 3.357 ( -1.798 -0.988 0.969) 2.269 3.439 ( -1.822 -2.168 -1.750) 3.329 3.523 ( 2.057 -1.388 0.749) 2.592 3.685 ( -3.456 7.783 1.268) 8.610 3.851 ( 4.252 1.165 4.957) 6.634 4.281 ( -0.533 1.342 -4.521) 4.746 4.436 ( 0.945 -4.594 -6.352) 7.896 4.817 ( 0.339 -3.559 5.927) 6.922 5.107 ( 2.065 -7.204 -4.930) 8.970 6.028 ( -0.626 -3.534 0.274) 3.599 6.166 ( -1.841 -1.401 -2.501) 3.407 6.387 ( 1.031 -3.014 1.321) 3.448 6.596 ( 2.630 -5.460 -4.473) 7.532 9.031 ( -1.010 -3.226 3.738) 5.040 9.055 ( -1.519 1.358 1.513) 2.538 9.765 ( 0.358 6.606 0.442) 6.631 9.864 ( -0.724 0.105 -1.405) 1.584 10.362 ( -0.987 0.481 2.052) 2.328 10.515 ( -2.767 -0.629 -0.466) 2.876 10.549 ( 3.207 3.152 5.910) 7.426 10.791 ( -1.140 4.844 -3.457) 6.059 11.870 ( -1.185 0.574 0.972) 1.636 11.927 ( 0.828 0.308 0.094) 0.888 12.731 ( -0.628 4.879 -3.614) 6.105 12.856 ( 2.808 -1.688 -2.741) 4.272 13.361 ( -1.206 1.811 -1.074) 2.426 13.427 ( 3.396 -0.482 1.531) 3.756 14.441 ( -5.347 -3.749 -3.038) 7.202 14.530 ( 3.961 0.994 3.296) 5.248 16.900 ( 1.114 -0.548 -0.710) 1.430 16.956 ( 1.092 0.488 -2.530) 2.798 17.515 ( -0.887 0.586 1.254) 1.644 17.566 ( 0.925 1.146 2.127) 2.587 18.085 ( -4.244 -1.427 7.212) 8.489 18.448 ( 0.369 -2.769 -4.421) 5.230 23.474 ( -4.792 3.305 8.751) 10.510 23.672 ( -4.026 -1.211 7.792) 8.854 25.324 ( -0.567 0.493 2.745) 2.846 25.701 ( 3.673 -4.355 -6.914) 8.959 27.968 ( -1.134 0.098 1.684) 2.032 28.129 ( 1.715 -0.090 -2.677) 3.181 28.868 ( -1.453 -0.874 2.431) 2.964 29.069 ( 2.268 0.644 -3.454) 4.182 29.668 ( -2.096 2.741 -0.827) 3.549 29.830 ( 2.578 0.674 -1.977) 3.318 30.729 ( -5.937 1.495 7.400) 9.605 31.082 ( -0.521 -0.127 -1.057) 1.185 31.159 ( 3.974 -6.148 0.755) 7.359 31.595 ( 8.550 -3.507 -14.670) 17.338 32.253 ( -9.698 1.240 3.916) 10.532 32.659 ( 5.212 3.563 0.921) 6.380 101.055 ( 0.378 -0.178 -0.819) 0.920 101.105 ( 1.470 -1.137 -2.542) 3.149 101.480 ( -5.324 -1.070 0.395) 5.445 101.666 ( 2.790 -6.527 1.427) 7.241 ======================= Grid point 231 (120/165) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -6.650 0.000 -1.096) 6.740 1.751 ( -4.846 0.000 -3.759) 6.133 1.903 ( -6.757 0.000 0.142) 6.758 2.150 ( 5.061 -0.000 -1.278) 5.220 2.180 ( -7.497 0.000 2.063) 7.775 2.230 ( 0.998 -0.000 2.540) 2.729 2.339 ( 3.841 -0.000 0.008) 3.841 2.421 ( 5.591 -0.000 -2.664) 6.193 2.925 ( 1.345 -0.000 1.160) 1.777 3.006 ( 5.229 -0.000 -3.592) 6.344 3.157 ( -3.397 0.000 -4.325) 5.500 3.215 ( 0.614 -0.000 -9.527) 9.547 3.284 ( -11.960 0.000 1.037) 12.005 3.429 ( -2.929 0.000 3.241) 4.369 3.575 ( 0.556 -0.000 -2.923) 2.976 3.947 ( 4.077 -0.000 -9.377) 10.225 4.453 ( -12.656 0.000 -18.293) 22.244 4.483 ( 5.407 -0.000 -8.301) 9.907 4.964 ( -4.697 0.000 2.731) 5.433 5.082 ( 1.398 -0.000 1.852) 2.321 5.872 ( 5.977 -0.000 -0.948) 6.051 6.168 ( 1.704 -0.000 -10.311) 10.451 6.183 ( -1.356 0.000 -1.990) 2.408 6.211 ( 0.200 -0.000 -4.129) 4.134 8.669 ( -3.952 0.000 5.347) 6.649 9.191 ( 3.766 -0.000 -8.642) 9.427 9.848 ( -1.388 0.000 8.129) 8.247 10.185 ( 3.008 -0.000 1.506) 3.364 10.301 ( -6.535 0.000 8.609) 10.808 10.659 ( 2.650 -0.000 -3.696) 4.548 10.765 ( 4.556 -0.000 8.366) 9.527 11.079 ( 2.961 -0.000 3.004) 4.218 11.958 ( -0.812 0.000 -0.249) 0.850 11.967 ( 0.352 -0.000 -0.333) 0.485 12.403 ( -0.313 0.000 6.662) 6.669 12.715 ( 2.543 -0.000 -4.416) 5.096 13.434 ( -3.934 0.000 3.099) 5.008 13.737 ( 2.330 -0.000 -5.051) 5.562 14.269 ( -3.183 0.000 0.024) 3.183 14.336 ( 3.691 -0.000 -1.391) 3.945 16.830 ( -1.031 0.000 1.608) 1.910 16.967 ( 1.548 -0.000 -1.917) 2.464 17.501 ( 0.218 -0.000 4.081) 4.087 17.552 ( -0.106 0.000 0.527) 0.538 18.125 ( -0.399 0.000 2.591) 2.621 18.194 ( -4.064 0.000 -1.215) 4.241 23.655 ( -1.418 0.000 9.510) 9.615 23.673 ( -5.648 0.000 12.186) 13.431 25.259 ( 4.202 -0.000 -0.501) 4.232 25.527 ( -4.517 0.000 -4.913) 6.674 28.060 ( -0.788 0.000 -0.142) 0.800 28.094 ( 0.979 -0.000 -0.626) 1.162 28.842 ( -2.397 0.000 3.107) 3.924 29.053 ( 3.542 -0.000 -2.922) 4.592 29.349 ( 0.159 -0.000 5.035) 5.037 29.652 ( 0.451 -0.000 -4.078) 4.102 30.664 ( -0.161 0.000 9.534) 9.536 31.183 ( -1.807 0.000 2.228) 2.869 31.468 ( -3.304 0.000 -10.839) 11.331 31.575 ( -0.509 0.000 -12.664) 12.674 32.482 ( -6.152 0.000 3.250) 6.957 32.603 ( 13.409 -0.000 -2.518) 13.643 101.076 ( -1.030 0.000 -2.878) 3.056 101.100 ( 0.954 -0.000 -5.770) 5.849 101.334 ( 2.374 -0.000 4.983) 5.519 101.670 ( -5.992 0.000 -6.017) 8.492 ======================= Grid point 232 (121/165) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -4.828 0.932 3.413) 5.986 1.655 ( -11.084 -1.105 -1.975) 11.313 1.840 ( -2.745 0.267 -4.251) 5.067 2.130 ( -1.996 1.993 6.981) 7.529 2.188 ( 4.839 1.835 -3.231) 6.101 2.202 ( -3.854 1.682 -1.322) 4.408 2.309 ( 4.401 6.159 5.910) 9.604 2.561 ( 5.725 -6.624 -3.235) 9.333 2.874 ( -2.000 7.244 -0.982) 7.579 2.898 ( -6.503 4.618 -4.403) 9.111 3.084 ( -8.985 -2.476 -5.834) 10.996 3.244 ( -4.129 -4.101 3.702) 6.898 3.262 ( 3.327 -5.318 -3.720) 7.294 3.406 ( -3.569 0.435 3.077) 4.732 3.596 ( 2.577 -1.606 -0.733) 3.123 3.951 ( 0.897 -4.176 -12.318) 13.038 4.256 ( -10.244 -2.358 -11.437) 15.534 4.453 ( 3.846 3.221 -8.005) 9.447 4.930 ( -3.310 1.303 3.240) 4.811 5.063 ( 1.197 4.711 1.107) 4.985 5.964 ( 7.860 -1.005 0.715) 7.956 6.123 ( 1.922 0.022 -10.819) 10.989 6.208 ( 3.282 -2.860 -2.224) 4.888 6.238 ( 2.540 -3.832 -2.728) 5.346 8.693 ( -3.593 -3.680 6.468) 8.263 9.177 ( 2.994 0.148 -8.509) 9.021 9.868 ( -2.803 0.247 7.133) 7.668 10.171 ( 1.192 5.661 0.896) 5.854 10.278 ( -5.615 -0.136 7.622) 9.468 10.647 ( 2.563 2.126 -3.087) 4.541 10.813 ( 3.603 5.122 6.623) 9.115 11.090 ( 2.467 3.515 -0.008) 4.294 11.936 ( -0.592 1.463 0.591) 1.685 11.968 ( 0.101 0.219 -0.458) 0.517 12.476 ( -0.835 -5.522 4.829) 7.383 12.742 ( 2.039 -3.402 -5.411) 6.709 13.399 ( -2.933 1.261 4.309) 5.363 13.696 ( 1.335 4.351 -4.990) 6.754 14.265 ( -3.766 -3.668 -0.479) 5.279 14.392 ( 5.278 -1.930 -0.557) 5.648 16.836 ( -0.616 -0.857 1.398) 1.752 16.973 ( 1.499 0.049 -2.026) 2.521 17.531 ( 0.446 -0.115 3.336) 3.368 17.553 ( -0.148 -0.184 0.767) 0.803 18.090 ( -2.552 2.304 3.534) 4.930 18.222 ( -0.952 -5.415 -0.825) 5.560 23.663 ( -3.460 2.645 10.828) 11.672 23.683 ( -3.187 0.944 9.846) 10.392 25.307 ( 3.688 0.266 2.116) 4.260 25.490 ( -0.632 -3.089 -6.238) 6.990 28.034 ( -0.633 1.745 0.630) 1.960 28.109 ( 0.741 -0.812 -1.328) 1.724 28.837 ( -1.908 -0.230 3.075) 3.626 29.075 ( 3.600 -0.090 -3.527) 5.040 29.427 ( 0.209 -5.668 4.986) 7.552 29.657 ( -0.646 -3.652 -4.404) 5.758 30.725 ( -0.273 -0.664 10.794) 10.818 31.143 ( -1.176 4.556 1.990) 5.109 31.346 ( -2.358 2.865 -10.166) 10.822 31.515 ( 0.238 -1.152 -11.923) 11.981 32.419 ( -7.097 1.060 2.231) 7.515 32.709 ( 11.049 1.383 -2.708) 11.460 101.058 ( -0.114 -0.547 -2.696) 2.753 101.075 ( 0.534 0.309 -4.562) 4.604 101.404 ( 2.628 -1.371 5.623) 6.357 101.569 ( -5.979 0.282 -5.225) 7.946 ======================= Grid point 233 (122/165) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.897 -3.873 4.624) 6.691 1.546 ( -7.599 0.117 -2.425) 7.977 1.784 ( -4.949 -2.011 -1.052) 5.444 2.074 ( -5.003 5.361 -1.845) 7.561 2.137 ( 2.356 4.111 7.695) 9.037 2.208 ( 3.841 -1.299 -0.303) 4.066 2.348 ( 6.323 1.126 7.598) 9.949 2.640 ( 1.443 0.215 -5.644) 5.829 2.707 ( -4.936 2.141 -1.455) 5.574 2.778 ( -2.882 3.318 -2.472) 5.043 2.990 ( -8.366 -2.185 -6.487) 10.810 3.320 ( -2.157 -2.254 0.724) 3.202 3.332 ( -1.225 -5.125 4.142) 6.703 3.412 ( -0.164 -3.250 0.090) 3.256 3.658 ( 2.807 -2.079 0.158) 3.497 3.945 ( -3.428 -5.695 -14.465) 15.919 4.195 ( -4.036 -3.449 -2.269) 5.774 4.400 ( 1.825 3.510 -0.976) 4.074 4.897 ( -0.114 1.284 1.141) 1.721 4.993 ( 1.217 4.600 -0.454) 4.780 6.017 ( 2.796 2.200 -0.682) 3.622 6.115 ( 3.094 -1.735 -5.984) 6.956 6.289 ( 4.005 -2.781 -0.419) 4.894 6.366 ( 5.899 -7.504 -3.200) 10.067 8.778 ( -3.370 -6.657 6.640) 9.988 9.157 ( 2.347 0.836 -5.999) 6.496 9.855 ( -3.793 0.930 4.046) 5.623 10.050 ( -1.179 8.795 1.735) 9.041 10.283 ( -3.879 -2.362 4.343) 6.284 10.615 ( 2.606 3.163 -3.487) 5.382 10.760 ( 1.682 8.512 6.796) 11.021 11.010 ( 0.774 7.150 -3.475) 7.988 11.911 ( -0.428 1.704 1.537) 2.334 11.956 ( 0.132 0.928 -0.516) 1.070 12.604 ( -0.955 -8.492 1.715) 8.716 12.787 ( 1.880 -3.096 -6.223) 7.201 13.404 ( 0.521 -0.133 5.374) 5.401 13.574 ( -0.191 7.394 -4.656) 8.739 14.287 ( -4.290 -4.656 -1.184) 6.441 14.495 ( 5.844 -2.759 0.726) 6.503 16.861 ( 0.378 -1.496 0.615) 1.661 16.972 ( 1.231 0.342 -2.440) 2.754 17.529 ( -1.234 0.461 0.908) 1.600 17.581 ( 1.660 -0.292 2.282) 2.837 18.064 ( -3.141 0.525 5.796) 6.614 18.302 ( -0.037 -5.556 -1.877) 5.865 23.622 ( -3.104 5.144 9.757) 11.459 23.678 ( -4.277 1.141 8.909) 9.948 25.350 ( 3.277 1.032 3.875) 5.179 25.539 ( 3.283 -5.152 -7.023) 9.308 28.003 ( -0.753 1.746 1.320) 2.315 28.119 ( 0.934 -0.537 -2.056) 2.322 28.843 ( -1.319 -0.527 2.893) 3.223 29.089 ( 3.258 0.403 -3.905) 5.102 29.569 ( 0.092 -7.377 2.707) 7.858 29.706 ( -0.560 -6.027 -3.554) 7.020 30.785 ( -1.970 0.531 10.455) 10.652 31.056 ( -0.057 3.305 -0.606) 3.361 31.232 ( -0.471 4.648 -4.045) 6.180 31.485 ( 1.369 -2.779 -13.013) 13.377 32.323 ( -7.873 2.151 2.048) 8.414 32.765 ( 8.260 2.738 -1.512) 8.833 101.052 ( 0.074 -0.199 -2.661) 2.670 101.068 ( 1.319 -0.901 -1.859) 2.451 101.460 ( -3.513 -0.202 0.071) 3.519 101.517 ( 0.320 -2.768 1.714) 3.272 ======================= Grid point 234 (123/165) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -3.069 6.520 -5.007) 8.775 1.565 ( -9.902 -9.245 4.864) 14.394 1.760 ( -9.404 -1.451 -3.316) 10.077 1.995 ( 5.090 -0.472 -1.588) 5.353 2.136 ( 4.461 5.622 7.422) 10.325 2.304 ( 2.874 -4.140 1.385) 5.227 2.442 ( 5.577 5.270 4.836) 9.070 2.583 ( 4.943 1.059 -4.130) 6.528 2.675 ( -0.831 -3.428 1.303) 3.760 2.750 ( 0.174 -2.223 -3.578) 4.216 2.934 ( -8.571 -6.100 -1.195) 10.587 3.300 ( -4.265 -1.501 -1.550) 4.780 3.413 ( -0.009 -1.721 1.842) 2.521 3.487 ( 0.562 -4.983 1.215) 5.160 3.679 ( -3.779 -0.569 -4.029) 5.553 3.917 ( -0.648 -0.096 -1.572) 1.703 4.217 ( 0.238 -3.186 -3.786) 4.954 4.382 ( 0.332 -0.135 1.495) 1.538 4.887 ( 2.717 4.048 4.830) 6.862 4.994 ( 1.930 -4.965 -4.389) 6.902 5.992 ( -0.291 0.447 -1.974) 2.045 6.143 ( 2.254 -0.262 -1.443) 2.689 6.370 ( 3.063 -2.190 0.784) 3.846 6.517 ( 4.162 -5.415 -3.412) 7.635 8.903 ( -2.947 -8.372 5.780) 10.591 9.125 ( 1.170 3.083 -1.723) 3.720 9.806 ( -3.386 1.449 0.180) 3.688 9.919 ( -0.680 6.332 0.873) 6.428 10.314 ( -2.692 -3.416 1.997) 4.786 10.540 ( -0.231 5.447 -2.999) 6.222 10.701 ( 2.452 5.542 7.499) 9.641 10.860 ( -0.799 7.586 -4.552) 8.882 11.883 ( -0.878 1.748 0.874) 2.143 11.947 ( 0.939 0.567 0.414) 1.172 12.716 ( 0.253 -4.554 -3.088) 5.508 12.818 ( 1.349 -2.858 -3.386) 4.632 13.409 ( -0.723 6.090 -1.795) 6.390 13.474 ( 2.511 0.021 2.417) 3.485 14.307 ( -3.951 -4.069 -1.757) 5.938 14.592 ( 4.551 -1.004 1.677) 4.953 16.894 ( 1.186 -1.293 -0.350) 1.789 16.960 ( 0.846 0.615 -2.739) 2.932 17.517 ( -0.898 0.104 1.134) 1.450 17.607 ( 1.193 0.664 1.887) 2.329 18.063 ( -3.786 -0.435 6.835) 7.825 18.369 ( -0.062 -4.114 -2.833) 4.996 23.550 ( -2.937 5.447 8.152) 10.235 23.661 ( -5.808 0.299 8.859) 10.597 25.377 ( 2.361 2.412 3.907) 5.163 25.628 ( 4.802 -4.891 -7.323) 10.030 27.978 ( -0.836 1.217 1.615) 2.188 28.125 ( 1.222 -0.485 -2.484) 2.810 28.857 ( -0.911 -0.605 2.549) 2.773 29.088 ( 2.561 0.845 -3.579) 4.481 29.647 ( -1.131 -2.455 -1.472) 3.077 29.797 ( 0.803 -5.415 -1.494) 5.674 30.750 ( -5.022 3.502 6.642) 9.034 31.100 ( 4.162 -2.418 0.366) 4.828 31.139 ( 0.576 2.454 0.178) 2.527 31.492 ( 2.228 -5.076 -13.985) 15.044 32.215 ( -6.860 2.468 2.182) 7.610 32.784 ( 5.023 3.572 1.340) 6.307 101.048 ( 0.354 -0.457 -1.236) 1.364 101.097 ( 2.311 -0.945 -1.087) 2.724 101.410 ( -4.606 -0.753 -1.075) 4.789 101.610 ( 1.281 -4.315 3.368) 5.622 ======================= Grid point 240 (124/165) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -8.703 0.000 8.307) 12.032 1.510 ( -14.535 0.000 6.942) 16.107 1.812 ( 2.276 -0.000 -7.609) 7.942 2.155 ( -2.281 0.000 6.256) 6.659 2.175 ( -3.224 0.000 -0.877) 3.341 2.239 ( 4.710 -0.000 -2.855) 5.508 2.483 ( 2.587 -0.000 -2.067) 3.311 2.522 ( 7.268 -0.000 6.317) 9.630 2.723 ( -24.060 0.000 1.516) 24.107 2.906 ( -2.456 0.000 -5.560) 6.079 3.048 ( 0.142 -0.000 -4.629) 4.631 3.150 ( 1.444 -0.000 -2.890) 3.230 3.224 ( -1.383 0.000 3.569) 3.827 3.380 ( -5.207 0.000 1.798) 5.508 3.618 ( 3.589 -0.000 1.794) 4.012 3.802 ( -7.020 0.000 -15.688) 17.187 4.117 ( -1.526 0.000 -4.559) 4.808 4.452 ( 1.921 -0.000 -9.116) 9.316 4.945 ( -2.969 0.000 7.188) 7.777 5.117 ( 0.672 -0.000 0.462) 0.815 6.067 ( 11.315 -0.000 0.567) 11.329 6.096 ( 4.801 -0.000 -14.671) 15.437 6.207 ( 4.457 -0.000 -0.376) 4.473 6.240 ( 4.615 -0.000 -1.384) 4.818 8.665 ( -3.576 0.000 7.845) 8.622 9.159 ( 3.287 -0.000 -9.628) 10.173 9.870 ( -4.607 0.000 6.780) 8.197 10.205 ( -0.841 0.000 -1.862) 2.043 10.289 ( -4.054 0.000 8.236) 9.180 10.668 ( 2.079 -0.000 -3.472) 4.047 10.934 ( 3.705 -0.000 4.994) 6.218 11.139 ( 1.859 -0.000 -2.272) 2.936 11.942 ( -0.628 0.000 0.269) 0.684 11.972 ( 0.434 -0.000 -0.180) 0.470 12.442 ( -2.039 0.000 4.473) 4.916 12.695 ( 0.967 -0.000 -5.516) 5.600 13.389 ( -4.418 0.000 5.343) 6.933 13.730 ( 2.285 -0.000 -5.037) 5.531 14.204 ( -2.361 0.000 0.294) 2.379 14.423 ( 5.203 -0.000 -1.121) 5.322 16.830 ( -0.682 0.000 1.694) 1.826 16.977 ( 1.348 -0.000 -2.267) 2.638 17.546 ( -0.856 0.000 0.283) 0.901 17.562 ( 1.407 -0.000 2.510) 2.877 18.121 ( -2.347 0.000 1.915) 3.029 18.152 ( 0.055 -0.000 2.781) 2.781 23.687 ( -5.579 0.000 8.862) 10.472 23.747 ( 0.952 -0.000 11.164) 11.204 25.377 ( 4.550 -0.000 4.781) 6.600 25.429 ( 1.834 -0.000 -6.437) 6.693 28.046 ( -0.456 0.000 0.171) 0.486 28.102 ( 0.438 -0.000 -0.750) 0.869 28.836 ( -1.284 0.000 3.152) 3.404 29.090 ( 3.300 -0.000 -3.868) 5.084 29.405 ( -0.559 0.000 5.138) 5.168 29.586 ( -1.620 0.000 -4.928) 5.187 30.780 ( -0.718 0.000 12.262) 12.283 31.204 ( 0.348 -0.000 4.251) 4.266 31.262 ( -2.851 0.000 -14.223) 14.506 31.450 ( -0.134 0.000 -8.280) 8.281 32.360 ( -7.130 0.000 0.675) 7.162 32.815 ( 9.866 -0.000 -4.159) 10.707 101.040 ( 0.434 -0.000 -2.341) 2.381 101.059 ( 0.573 -0.000 -3.324) 3.373 101.455 ( 2.349 -0.000 6.711) 7.110 101.477 ( -5.963 0.000 -4.863) 7.694 ======================= Grid point 241 (125/165) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -10.153 -2.570 11.665) 15.676 1.456 ( -10.328 -2.602 12.158) 16.163 1.766 ( 2.154 3.667 -7.210) 8.370 2.100 ( -4.339 4.297 -1.099) 6.205 2.171 ( -2.817 -1.900 5.403) 6.383 2.263 ( 4.511 -0.040 -2.551) 5.183 2.444 ( -3.919 0.821 3.732) 5.473 2.539 ( -10.126 -1.438 8.607) 13.367 2.672 ( 4.385 -3.061 -1.263) 5.495 2.810 ( -2.756 3.356 -8.539) 9.580 2.940 ( -0.327 7.225 -4.048) 8.289 3.198 ( -2.848 -6.749 2.761) 7.829 3.277 ( -4.538 -1.054 0.075) 4.660 3.348 ( -1.528 -4.570 -0.504) 4.845 3.652 ( -2.891 -0.788 -5.970) 6.680 3.719 ( 0.422 -6.407 -4.658) 7.932 4.137 ( 2.972 -1.203 0.909) 3.332 4.438 ( 0.988 -0.339 -1.610) 1.920 4.929 ( -1.289 2.714 5.399) 6.179 5.092 ( 0.945 3.905 0.136) 4.020 6.055 ( 3.208 1.176 -12.233) 12.702 6.159 ( 8.041 2.510 0.812) 8.463 6.292 ( 5.944 -2.848 -0.241) 6.596 6.334 ( 7.701 -4.316 -0.937) 8.878 8.699 ( -3.743 -3.359 8.091) 9.527 9.148 ( 3.585 -0.528 -8.537) 9.275 9.843 ( -5.662 0.611 4.762) 7.423 10.147 ( -1.806 4.216 -3.976) 6.070 10.264 ( -4.260 1.671 8.182) 9.375 10.658 ( 1.903 1.517 -3.543) 4.298 10.932 ( 1.528 6.377 3.719) 7.539 11.096 ( 0.768 4.634 -5.165) 6.981 11.935 ( -0.424 0.568 0.828) 1.090 11.969 ( 0.393 0.740 -0.344) 0.906 12.478 ( -2.978 -5.237 2.841) 6.660 12.708 ( 1.215 -3.842 -6.536) 7.678 13.400 ( -2.580 -2.503 6.068) 7.052 13.672 ( 1.700 6.141 -4.909) 8.044 14.203 ( -1.452 -1.651 0.819) 2.346 14.501 ( 5.062 -3.302 -0.892) 6.109 16.844 ( 0.003 -1.223 1.237) 1.740 16.974 ( 0.997 0.185 -2.738) 2.920 17.529 ( -1.144 0.695 0.312) 1.374 17.594 ( 0.944 -1.100 0.533) 1.545 18.093 ( -1.006 2.235 5.155) 5.708 18.218 ( 0.275 -4.382 1.437) 4.620 23.660 ( -7.623 0.596 8.687) 11.573 23.786 ( 3.698 5.822 8.686) 11.091 25.445 ( 5.371 1.090 5.145) 7.517 25.468 ( 4.479 -3.664 -5.324) 7.864 28.030 ( -0.322 1.452 0.689) 1.640 28.106 ( 0.330 -0.595 -1.259) 1.431 28.844 ( -0.636 -0.108 3.013) 3.081 29.102 ( 2.953 -0.101 -4.260) 5.184 29.472 ( -0.699 -5.520 3.374) 6.507 29.578 ( -1.679 -4.795 -4.161) 6.567 30.837 ( -1.977 0.551 12.328) 12.498 31.099 ( -1.566 4.170 -7.017) 8.311 31.256 ( 0.778 -0.345 -0.551) 1.014 31.404 ( 0.203 0.264 -7.512) 7.520 32.276 ( -6.894 1.030 -0.022) 6.970 32.871 ( 7.388 1.550 -3.771) 8.439 101.037 ( 0.642 -0.183 -1.994) 2.103 101.066 ( 2.071 -0.715 -0.060) 2.192 101.395 ( -4.898 -0.168 -3.160) 5.831 101.525 ( 1.567 -1.171 6.637) 6.919 ======================= Grid point 242 (126/165) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -13.093 -2.152 10.534) 16.941 1.440 ( -5.172 0.239 7.000) 8.707 1.677 ( -1.554 3.993 -4.932) 6.533 2.030 ( 2.645 0.054 -0.033) 2.646 2.230 ( -2.081 -3.374 5.429) 6.722 2.305 ( 5.460 0.314 -2.522) 6.022 2.479 ( -6.466 -9.160 9.288) 14.560 2.580 ( -1.744 -4.222 5.172) 6.901 2.640 ( -1.558 8.269 -6.364) 10.550 2.734 ( 3.843 0.272 -1.803) 4.254 2.822 ( -0.687 1.230 -3.756) 4.011 3.200 ( -7.536 -1.280 -2.587) 8.070 3.332 ( -1.353 -8.764 2.456) 9.202 3.420 ( -0.203 -4.034 0.443) 4.063 3.594 ( -3.666 -1.017 -5.396) 6.602 3.847 ( 2.850 -6.203 -2.207) 7.174 4.198 ( 3.458 0.127 2.267) 4.137 4.431 ( -1.621 2.429 6.004) 6.677 4.945 ( 3.765 -1.136 2.134) 4.475 5.029 ( 1.802 5.403 0.622) 5.729 5.993 ( 0.042 1.522 -6.503) 6.679 6.195 ( 5.871 2.136 0.194) 6.251 6.390 ( 4.817 -1.424 1.392) 5.213 6.484 ( 6.670 -4.048 -2.062) 8.070 8.783 ( -3.610 -6.413 7.340) 10.394 9.152 ( 3.238 0.023 -5.512) 6.393 9.787 ( -5.385 1.166 1.972) 5.852 10.009 ( -2.444 6.328 -1.492) 6.946 10.258 ( -3.042 -1.230 4.435) 5.517 10.608 ( 0.670 4.371 -3.852) 5.865 10.841 ( -0.175 6.429 3.543) 7.342 10.959 ( -0.530 8.012 -5.058) 9.490 11.914 ( -0.548 2.074 0.902) 2.327 11.963 ( 0.529 0.208 -0.258) 0.624 12.579 ( -1.935 -8.930 0.272) 9.141 12.753 ( 1.729 -4.006 -6.606) 7.917 13.464 ( -0.886 -2.471 4.144) 4.905 13.532 ( 0.986 8.317 -4.256) 9.395 14.230 ( -0.217 -2.087 0.914) 2.289 14.606 ( 3.933 -3.405 -0.403) 5.218 16.880 ( 0.903 -1.773 0.169) 1.997 16.961 ( 0.598 0.473 -3.055) 3.149 17.512 ( -1.097 0.040 0.775) 1.343 17.617 ( -0.303 -0.960 -0.260) 1.040 18.079 ( -1.783 1.782 6.438) 6.914 18.301 ( 1.472 -3.851 0.408) 4.143 23.609 ( -8.285 0.942 8.496) 11.904 23.734 ( 1.757 8.736 6.823) 11.224 25.479 ( 1.052 3.154 6.573) 7.366 25.577 ( 9.043 -4.310 -8.419) 13.085 28.005 ( -0.412 1.768 1.249) 2.203 28.113 ( 0.598 -0.705 -1.934) 2.144 28.859 ( -0.259 -0.194 2.657) 2.677 29.105 ( 2.426 0.450 -4.031) 4.726 29.558 ( -0.723 -5.313 -2.207) 5.799 29.673 ( -0.348 -8.678 -1.209) 8.769 30.807 ( -4.353 4.827 6.561) 9.236 31.087 ( 3.428 -3.962 0.327) 5.250 31.226 ( 0.976 5.037 0.189) 5.134 31.373 ( -0.033 -1.766 -8.167) 8.355 32.192 ( -4.978 1.231 0.412) 5.144 32.882 ( 3.626 2.610 -1.153) 4.614 101.039 ( 0.774 -0.321 -1.265) 1.518 101.117 ( 3.868 -0.460 1.302) 4.107 101.350 ( -2.576 -0.786 -0.794) 2.808 101.595 ( 0.311 -1.825 5.689) 5.983 ======================= Grid point 249 (127/165) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -11.200 0.000 16.991) 20.350 1.405 ( -10.799 0.000 18.732) 21.622 1.796 ( 2.554 -0.000 -6.161) 6.669 2.072 ( -12.310 0.000 5.363) 13.428 2.110 ( -2.494 0.000 -1.541) 2.932 2.273 ( -0.287 0.000 -0.698) 0.755 2.333 ( -11.640 0.000 12.146) 16.823 2.573 ( 5.068 -0.000 -2.203) 5.526 2.684 ( -3.377 0.000 2.148) 4.002 2.772 ( 5.767 -0.000 -10.513) 11.991 3.001 ( -0.855 0.000 -0.128) 0.864 3.188 ( -4.307 0.000 5.318) 6.843 3.201 ( -2.921 0.000 -8.086) 8.597 3.227 ( -0.137 0.000 -0.533) 0.550 3.529 ( -3.273 0.000 -6.253) 7.058 3.724 ( 2.742 -0.000 2.330) 3.599 4.218 ( 7.354 -0.000 7.370) 10.412 4.443 ( 1.139 -0.000 3.778) 3.946 4.988 ( 1.460 -0.000 5.448) 5.640 5.129 ( 0.440 -0.000 0.073) 0.446 6.016 ( 1.090 -0.000 -12.031) 12.081 6.301 ( 9.225 -0.000 -0.641) 9.247 6.347 ( 8.036 -0.000 0.766) 8.072 6.356 ( 6.320 -0.000 0.677) 6.356 8.677 ( -4.085 0.000 8.383) 9.325 9.134 ( 4.301 -0.000 -8.870) 9.858 9.806 ( -6.729 0.000 3.919) 7.787 10.118 ( -2.730 0.000 -6.522) 7.070 10.291 ( -3.804 0.000 7.225) 8.165 10.668 ( 1.161 -0.000 -3.062) 3.275 11.018 ( 0.812 -0.000 0.922) 1.229 11.101 ( -0.150 0.000 -7.475) 7.476 11.930 ( -0.977 0.000 -0.252) 1.009 11.980 ( 0.427 -0.000 -0.110) 0.441 12.414 ( -4.159 0.000 2.800) 5.014 12.643 ( 0.462 -0.000 -6.047) 6.064 13.373 ( -3.650 0.000 7.258) 8.124 13.723 ( 2.400 -0.000 -4.858) 5.418 14.199 ( 0.616 -0.000 2.393) 2.471 14.508 ( 4.001 -0.000 -2.007) 4.476 16.841 ( 0.074 -0.000 1.455) 1.457 16.968 ( 0.649 -0.000 -3.092) 3.160 17.527 ( -1.076 0.000 0.119) 1.082 17.577 ( -0.858 0.000 -1.652) 1.862 18.168 ( 3.182 -0.000 4.445) 5.466 18.184 ( -0.558 0.000 3.551) 3.595 23.619 ( -9.554 0.000 8.627) 12.872 23.960 ( 10.307 -0.000 3.016) 10.739 25.466 ( 8.006 -0.000 -6.405) 10.253 25.547 ( 3.277 -0.000 8.583) 9.188 28.045 ( 0.188 -0.000 0.267) 0.326 28.095 ( -0.193 0.000 -0.759) 0.783 28.857 ( 0.000 -0.000 2.789) 2.789 29.103 ( 2.196 -0.000 -4.301) 4.829 29.433 ( -1.709 0.000 3.987) 4.338 29.491 ( -1.861 0.000 -4.550) 4.916 30.892 ( -3.095 0.000 14.090) 14.426 31.044 ( -2.011 0.000 -12.142) 12.307 31.281 ( 1.367 -0.000 5.225) 5.401 31.392 ( 1.101 -0.000 -4.150) 4.293 32.212 ( -5.775 0.000 -1.018) 5.864 32.926 ( 5.604 -0.000 -5.644) 7.953 101.036 ( 1.046 -0.000 -1.525) 1.850 101.104 ( 4.976 -0.000 3.291) 5.966 101.337 ( -2.622 0.000 -1.355) 2.952 101.569 ( 0.592 -0.000 7.532) 7.555 ======================= Grid point 250 (128/165) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -14.085 1.731 18.086) 22.989 1.394 ( -10.998 -2.189 14.995) 18.724 1.763 ( 3.439 3.853 -5.211) 7.337 2.041 ( -0.007 -1.317 2.383) 2.723 2.113 ( -5.511 -6.522 4.841) 9.815 2.269 ( -5.566 -3.583 -1.650) 6.822 2.328 ( -7.704 -3.862 12.789) 15.422 2.575 ( 0.596 2.781 -3.764) 4.718 2.652 ( 0.900 -0.967 -2.943) 3.226 2.808 ( 8.623 0.391 -4.782) 9.868 2.912 ( -0.753 9.698 -0.660) 9.750 3.097 ( -4.675 -0.799 -2.937) 5.579 3.205 ( 0.417 -5.334 3.621) 6.461 3.345 ( 0.700 -5.682 -0.396) 5.739 3.511 ( -1.324 -3.028 -3.059) 4.503 3.779 ( 0.504 -3.254 0.352) 3.312 4.329 ( 7.806 3.411 9.149) 12.501 4.477 ( -2.210 0.983 8.649) 8.981 5.033 ( 7.543 2.372 2.488) 8.289 5.118 ( 1.577 2.633 0.855) 3.186 5.959 ( -1.193 0.037 -5.865) 5.985 6.322 ( 6.304 4.120 0.312) 7.538 6.445 ( 6.525 -0.449 1.593) 6.732 6.485 ( 6.986 -3.980 -0.994) 8.102 8.705 ( -3.998 -3.310 7.718) 9.301 9.144 ( 4.286 -1.093 -7.564) 8.762 9.749 ( -6.267 0.392 2.230) 6.663 10.029 ( -3.151 2.327 -5.794) 6.994 10.269 ( -3.134 2.010 6.639) 7.612 10.645 ( 0.401 1.937 -3.035) 3.623 10.946 ( -1.656 6.633 -1.308) 6.961 11.022 ( -1.065 4.073 -6.406) 7.666 11.923 ( -1.322 -0.732 -0.271) 1.535 11.972 ( 0.219 1.148 -0.470) 1.259 12.428 ( -3.946 -5.768 2.327) 7.366 12.657 ( 1.426 -4.500 -7.081) 8.510 13.412 ( -2.725 -3.468 5.959) 7.414 13.660 ( 2.160 7.133 -4.667) 8.793 14.231 ( 1.658 -0.685 2.771) 3.301 14.569 ( 2.770 -3.986 -2.240) 5.346 16.863 ( 0.578 -1.350 0.793) 1.669 16.955 ( 0.473 0.220 -3.188) 3.231 17.507 ( -1.180 0.531 0.260) 1.319 17.571 ( -1.883 -1.955 -1.663) 3.183 18.148 ( -0.376 3.568 4.910) 6.081 18.281 ( 3.937 -3.402 2.147) 5.629 23.561 ( -10.036 -0.054 8.709) 13.288 23.979 ( 8.306 10.588 -1.101) 13.502 25.534 ( 3.432 -0.006 -0.204) 3.438 25.611 ( 5.907 -0.505 -0.044) 5.929 28.036 ( 0.099 1.516 0.660) 1.656 28.095 ( 0.036 -0.715 -1.193) 1.392 28.872 ( 0.158 0.089 2.482) 2.488 29.105 ( 1.875 -0.423 -4.354) 4.760 29.460 ( -0.846 -3.754 -1.421) 4.102 29.519 ( -1.492 -7.374 -0.886) 7.575 30.877 ( -3.944 4.433 7.351) 9.447 31.040 ( 2.126 -4.867 -1.099) 5.424 31.302 ( 0.632 2.447 3.243) 4.111 31.366 ( 1.529 2.333 -2.661) 3.855 32.156 ( -3.203 0.047 -0.295) 3.217 32.928 ( 2.109 1.293 -4.835) 5.432 101.040 ( 1.042 -0.028 -1.155) 1.556 101.173 ( 3.614 0.457 0.491) 3.676 101.355 ( 5.949 0.064 4.301) 7.341 101.614 ( -0.784 -0.319 7.162) 7.212 ======================= Grid point 258 (129/165) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -9.301 0.000 20.953) 22.925 1.294 ( -15.384 0.000 15.156) 21.595 1.763 ( -0.910 0.000 -2.028) 2.223 2.019 ( -1.616 0.000 -6.571) 6.767 2.101 ( 3.979 -0.000 12.667) 13.277 2.128 ( -12.034 0.000 -0.710) 12.055 2.294 ( -5.261 0.000 12.834) 13.870 2.559 ( -3.253 0.000 -3.124) 4.510 2.694 ( 8.006 -0.000 -2.717) 8.454 2.859 ( 9.343 -0.000 -8.768) 12.812 2.981 ( -2.521 0.000 -1.307) 2.839 3.060 ( 1.124 -0.000 -1.529) 1.898 3.247 ( 3.059 -0.000 2.587) 4.006 3.276 ( 2.456 -0.000 4.239) 4.899 3.454 ( -1.369 0.000 -1.246) 1.851 3.760 ( -1.443 0.000 2.683) 3.046 4.498 ( -5.776 0.000 9.384) 11.019 4.515 ( 8.343 -0.000 10.700) 13.568 5.162 ( 1.773 -0.000 3.584) 3.999 5.164 ( 10.848 -0.000 -5.161) 12.013 5.946 ( 3.053 -0.000 1.918) 3.605 6.408 ( 2.632 -0.000 -3.301) 4.222 6.500 ( 4.204 -0.000 3.324) 5.359 6.540 ( 8.532 -0.000 0.923) 8.582 8.677 ( -3.764 0.000 7.162) 8.091 9.134 ( 3.917 -0.000 -7.950) 8.862 9.698 ( -5.603 0.000 1.836) 5.897 9.977 ( -2.876 0.000 -5.912) 6.574 10.293 ( -2.770 0.000 5.782) 6.411 10.648 ( -0.114 0.000 -1.961) 1.964 10.980 ( -1.425 0.000 -10.375) 10.473 10.985 ( -3.448 0.000 -1.647) 3.821 11.885 ( -2.129 0.000 -0.952) 2.332 11.984 ( -0.044 0.000 -0.229) 0.233 12.351 ( -4.379 0.000 3.006) 5.311 12.591 ( 1.372 -0.000 -6.302) 6.450 13.393 ( -2.524 0.000 7.785) 8.184 13.723 ( 2.465 -0.000 -4.649) 5.262 14.258 ( 1.070 -0.000 3.126) 3.304 14.538 ( 1.578 -0.000 -3.280) 3.640 16.863 ( 0.521 -0.000 0.984) 1.113 16.945 ( 0.740 -0.000 -2.997) 3.087 17.507 ( -0.885 0.000 0.171) 0.901 17.517 ( -2.271 0.000 -1.236) 2.586 18.202 ( -1.861 0.000 4.176) 4.572 18.307 ( 6.150 -0.000 0.376) 6.162 23.501 ( -9.980 0.000 8.873) 13.354 24.141 ( 8.370 -0.000 -11.047) 13.859 25.599 ( 9.861 -0.000 -5.235) 11.164 25.616 ( -5.826 0.000 5.287) 7.867 28.059 ( 0.773 -0.000 0.118) 0.781 28.079 ( -0.531 0.000 -0.606) 0.806 28.888 ( 0.061 -0.000 2.196) 2.197 29.091 ( 1.136 -0.000 -3.942) 4.102 29.419 ( -2.813 0.000 2.277) 3.619 29.429 ( 0.587 -0.000 -3.123) 3.177 30.933 ( -7.763 0.000 12.639) 14.833 31.011 ( 8.920 -0.000 -4.641) 10.055 31.352 ( -0.163 0.000 4.397) 4.400 31.400 ( 2.707 -0.000 -1.433) 3.062 32.137 ( -0.255 0.000 1.023) 1.054 32.915 ( -0.289 0.000 -7.075) 7.081 101.045 ( 0.999 -0.000 -0.929) 1.364 101.185 ( 0.168 -0.000 -2.345) 2.351 101.538 ( 18.462 -0.000 6.064) 19.432 101.638 ( -2.216 0.000 7.486) 7.807 ======================= Grid point 259 (130/165) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 4.196 -0.000 12.493) 13.179 1.667 ( -0.030 0.000 9.064) 9.064 1.709 ( -0.523 0.000 0.443) 0.686 1.756 ( -7.853 0.000 -4.600) 9.101 1.942 ( -0.443 0.000 2.136) 2.182 2.038 ( -0.755 0.000 -6.763) 6.805 2.356 ( -3.917 0.000 -1.736) 4.284 2.452 ( 7.516 -0.000 -10.332) 12.776 2.863 ( -2.017 0.000 2.254) 3.025 2.901 ( 5.880 -0.000 -2.346) 6.330 3.042 ( -5.670 0.000 9.291) 10.885 3.151 ( 9.870 -0.000 -2.332) 10.141 3.397 ( -5.945 0.000 2.213) 6.343 3.442 ( 7.525 -0.000 -1.319) 7.640 3.543 ( 3.703 -0.000 6.697) 7.653 3.665 ( -5.522 0.000 -5.278) 7.639 4.600 ( -4.335 0.000 6.784) 8.050 4.700 ( 2.836 -0.000 -3.295) 4.348 5.237 ( -0.022 0.000 7.983) 7.983 5.367 ( 1.948 -0.000 -2.624) 3.268 6.253 ( 8.649 -0.000 0.227) 8.652 6.270 ( -4.320 0.000 -2.319) 4.903 6.626 ( -2.902 0.000 2.881) 4.089 6.676 ( 4.040 -0.000 -2.042) 4.527 8.818 ( -1.884 0.000 6.607) 6.870 8.954 ( 1.893 -0.000 -7.402) 7.640 9.706 ( -2.091 0.000 4.797) 5.233 9.808 ( 1.603 -0.000 -5.230) 5.470 10.435 ( -1.538 0.000 8.024) 8.170 10.605 ( 0.446 -0.000 -8.408) 8.420 10.696 ( 2.014 -0.000 1.718) 2.647 10.771 ( -4.865 0.000 -4.680) 6.751 11.901 ( 0.261 -0.000 3.120) 3.131 11.951 ( -0.569 0.000 -1.808) 1.895 12.359 ( -4.272 0.000 3.947) 5.816 12.453 ( 3.848 -0.000 -5.597) 6.792 13.548 ( -2.297 0.000 5.242) 5.723 13.641 ( 2.708 -0.000 -4.448) 5.208 14.361 ( -0.710 0.000 3.648) 3.716 14.434 ( 0.024 -0.000 -3.844) 3.844 16.886 ( -0.700 0.000 0.645) 0.952 16.906 ( 1.443 -0.000 -1.440) 2.039 17.485 ( -0.421 0.000 0.552) 0.695 17.494 ( -0.100 0.000 -0.297) 0.313 18.278 ( -3.592 0.000 4.194) 5.522 18.353 ( 3.961 -0.000 -3.474) 5.268 23.620 ( -6.868 0.000 11.309) 13.231 23.843 ( 3.472 -0.000 -11.448) 11.962 25.564 ( -11.121 0.000 5.100) 12.234 25.661 ( 9.903 -0.000 -4.747) 10.982 28.061 ( -0.655 0.000 0.268) 0.708 28.070 ( 0.875 -0.000 -0.533) 1.025 28.953 ( -0.869 0.000 2.659) 2.798 29.007 ( 0.733 -0.000 -2.931) 3.021 29.389 ( -4.149 0.000 1.242) 4.330 29.417 ( 4.286 -0.000 -1.675) 4.601 30.996 ( -14.438 0.000 7.692) 16.359 31.132 ( 15.458 -0.000 -6.242) 16.671 31.419 ( -3.245 0.000 2.286) 3.969 31.460 ( 5.395 -0.000 -2.003) 5.755 32.375 ( 6.087 -0.000 8.987) 10.855 32.564 ( -6.822 0.000 -10.125) 12.209 101.068 ( 0.200 -0.000 1.462) 1.476 101.108 ( 0.331 -0.000 -2.542) 2.563 101.751 ( -7.546 0.000 5.797) 9.516 101.859 ( 10.720 -0.000 -5.314) 11.965 ======================= Grid point 260 (131/165) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.390 3.659 4.164) 6.037 1.692 ( 2.803 1.462 5.300) 6.172 1.757 ( 1.194 -4.794 0.467) 4.962 1.792 ( 3.250 -1.820 0.146) 3.728 1.982 ( -1.517 -2.623 -0.952) 3.176 2.042 ( 3.988 -5.487 0.108) 6.784 2.294 ( -1.504 1.770 1.897) 2.999 2.407 ( 4.714 5.571 -9.692) 12.132 2.860 ( -0.008 1.766 1.433) 2.274 2.945 ( 4.788 1.325 -3.857) 6.289 3.049 ( -5.852 -5.171 2.502) 8.200 3.275 ( 9.545 -4.984 -5.675) 12.172 3.360 ( -7.350 -3.095 1.565) 8.127 3.505 ( 1.004 -0.830 -3.156) 3.415 3.586 ( 0.210 0.233 -3.462) 3.476 3.615 ( 5.097 1.401 6.214) 8.158 4.559 ( -3.492 4.601 6.839) 8.952 4.674 ( 3.018 4.625 -3.917) 6.771 5.240 ( -1.932 3.800 7.562) 8.681 5.316 ( -0.169 3.589 -7.500) 8.316 6.191 ( -5.464 1.133 -3.366) 6.517 6.292 ( 5.197 3.760 -1.619) 6.616 6.582 ( -5.146 1.326 2.686) 5.954 6.674 ( 0.511 1.402 -3.531) 3.833 8.865 ( -1.711 -3.244 6.511) 7.473 8.967 ( 2.907 -3.490 -6.853) 8.221 9.714 ( -1.357 0.464 5.408) 5.595 9.802 ( 2.880 0.118 -5.024) 5.792 10.457 ( -0.957 1.548 8.821) 9.007 10.543 ( 0.650 2.104 -7.688) 7.997 10.694 ( -4.254 0.541 -2.746) 5.092 10.731 ( 2.468 1.399 4.660) 5.456 11.920 ( 0.372 0.712 2.395) 2.526 11.935 ( 0.329 0.205 -1.542) 1.590 12.385 ( -3.583 -5.312 4.337) 7.737 12.514 ( 4.703 -5.347 -4.855) 8.619 13.509 ( -2.453 4.647 3.475) 6.300 13.603 ( 3.310 4.670 -3.746) 6.841 14.408 ( -0.715 -3.896 4.083) 5.689 14.434 ( -1.302 -2.590 -3.459) 4.513 16.882 ( -0.792 -0.171 0.324) 0.872 16.912 ( 1.381 0.019 -1.486) 2.028 17.493 ( -0.107 -0.819 1.028) 1.319 17.500 ( 0.201 -0.933 -0.269) 0.991 18.260 ( -4.085 -0.088 4.464) 6.052 18.374 ( 2.759 -0.534 -4.456) 5.268 23.613 ( -5.875 0.533 11.678) 13.083 23.807 ( 2.994 1.567 -7.369) 8.107 25.465 ( -10.741 0.811 5.243) 11.980 25.718 ( 7.510 1.599 -4.443) 8.871 28.047 ( -0.865 1.011 0.751) 1.528 28.078 ( 1.204 -0.076 -1.117) 1.644 28.953 ( -1.452 0.370 2.614) 3.013 28.998 ( 0.722 -0.075 -2.637) 2.735 29.394 ( -3.706 -4.773 1.155) 6.152 29.496 ( 4.618 -4.725 -1.591) 6.795 30.891 ( -12.477 -0.240 6.660) 14.145 31.247 ( 12.826 2.049 -5.725) 14.195 31.372 ( -1.477 2.559 0.978) 3.112 31.480 ( 7.192 3.354 -4.697) 9.221 32.410 ( -8.943 1.458 -6.423) 11.106 32.503 ( 4.907 -1.736 7.014) 8.734 101.077 ( 0.324 0.321 1.522) 1.588 101.096 ( 0.620 0.365 -2.549) 2.648 101.672 ( -9.118 1.779 3.476) 9.919 101.890 ( 6.829 3.410 -6.096) 9.769 ======================= Grid point 261 (132/165) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -5.516 9.417 6.750) 12.833 1.678 ( -2.186 -0.063 -5.621) 6.032 1.809 ( 1.555 -2.862 -2.121) 3.887 1.890 ( 2.865 -3.627 0.825) 4.695 2.014 ( 1.827 -4.734 -0.674) 5.119 2.196 ( 1.950 0.458 4.443) 4.874 2.313 ( 5.233 2.092 -3.111) 6.438 2.367 ( 9.453 -3.288 -0.379) 10.015 2.815 ( 0.362 3.624 1.257) 3.853 2.924 ( 5.071 5.487 -3.228) 8.139 3.090 ( -6.822 -8.391 -3.785) 11.458 3.305 ( -7.795 -1.806 -6.183) 10.112 3.415 ( 4.778 -3.334 -1.807) 6.100 3.485 ( -2.369 -2.389 -1.124) 3.547 3.602 ( 1.865 0.978 0.449) 2.153 3.736 ( 9.288 -5.253 1.475) 10.772 4.448 ( -3.899 7.899 4.058) 9.699 4.577 ( 3.107 8.894 -2.266) 9.689 5.160 ( -2.289 5.785 0.723) 6.263 5.186 ( -1.525 5.731 -5.604) 8.159 6.093 ( -4.982 1.088 -4.166) 6.585 6.245 ( 0.826 4.629 0.301) 4.712 6.519 ( -4.551 1.586 2.140) 5.273 6.612 ( -1.581 2.096 -4.613) 5.308 8.945 ( -2.405 -4.804 5.456) 7.657 9.039 ( 3.582 -4.742 -5.691) 8.228 9.720 ( -0.908 0.896 5.133) 5.289 9.808 ( 3.251 0.363 -3.608) 4.870 10.453 ( -0.876 2.455 3.595) 4.440 10.489 ( 1.603 1.733 -2.957) 3.784 10.634 ( -3.725 0.463 -0.020) 3.754 10.756 ( 2.395 2.230 5.948) 6.789 11.909 ( -0.154 1.822 1.411) 2.310 11.936 ( 1.238 0.029 -0.596) 1.374 12.486 ( -2.570 -7.649 3.415) 8.762 12.654 ( 4.657 -7.881 -3.692) 9.871 13.402 ( -2.370 6.167 1.068) 6.692 13.553 ( 4.423 3.994 -1.561) 6.160 14.415 ( -3.633 -0.968 -3.623) 5.221 14.510 ( 0.294 -4.883 4.293) 6.508 16.879 ( -0.567 -0.349 -0.080) 0.671 16.919 ( 1.198 -0.061 -1.245) 1.729 17.514 ( 0.307 -0.893 0.746) 1.203 17.530 ( 0.636 -2.037 0.671) 2.238 18.242 ( -4.554 -0.075 4.730) 6.567 18.373 ( 1.424 0.047 -5.215) 5.406 23.603 ( -4.767 1.145 9.614) 10.792 23.785 ( 2.288 1.173 -2.397) 3.516 25.385 ( -8.165 -0.207 5.113) 9.636 25.715 ( 4.708 3.603 -4.806) 7.631 28.023 ( -1.147 1.143 1.300) 2.076 28.085 ( 1.559 0.118 -1.742) 2.340 28.937 ( -1.747 0.782 1.511) 2.439 29.002 ( 1.066 -0.491 -1.259) 1.721 29.465 ( -2.896 -7.126 1.052) 7.763 29.634 ( 4.011 -7.001 -1.476) 8.203 30.820 ( -9.629 -1.259 6.168) 11.505 31.209 ( -0.542 6.403 -0.701) 6.464 31.354 ( 5.395 4.066 -2.460) 7.189 31.468 ( 11.141 4.599 -10.710) 16.124 32.256 ( -9.669 0.380 -3.631) 10.336 32.635 ( 4.708 -2.545 7.434) 9.160 101.073 ( 0.291 0.798 -1.052) 1.352 101.091 ( 1.069 0.283 0.260) 1.136 101.551 ( -8.670 2.309 0.574) 8.991 101.843 ( 3.463 4.814 -4.709) 7.572 ======================= Grid point 262 (133/165) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -8.178 10.719 0.512) 13.492 1.635 ( -2.582 -0.849 -4.531) 5.283 1.833 ( -3.234 -0.805 0.721) 3.410 1.991 ( 5.569 -4.700 -0.417) 7.299 2.133 ( -2.609 -0.395 1.785) 3.186 2.150 ( 5.998 1.365 3.676) 7.166 2.340 ( 3.342 -0.813 -5.646) 6.611 2.545 ( 10.211 -1.213 -2.447) 10.570 2.775 ( 0.642 2.655 -2.119) 3.457 2.866 ( 5.092 5.159 3.842) 8.203 3.123 ( -6.239 -5.660 -4.838) 9.715 3.223 ( -2.818 -0.699 -5.885) 6.562 3.479 ( -0.504 -0.205 1.638) 1.726 3.501 ( -3.281 -5.037 0.566) 6.038 3.592 ( 1.127 1.879 -0.322) 2.215 3.959 ( 9.052 -7.580 -0.371) 11.812 4.283 ( -4.063 7.848 0.393) 8.846 4.443 ( 1.794 9.100 -0.274) 9.279 5.031 ( -0.867 4.102 -9.189) 10.100 5.070 ( -1.379 5.438 3.928) 6.849 6.012 ( -3.352 0.882 -2.512) 4.281 6.185 ( -1.165 2.645 1.142) 3.107 6.463 ( -1.756 1.855 1.101) 2.782 6.541 ( -1.725 1.190 -3.905) 4.432 9.020 ( -2.101 -4.274 2.786) 5.517 9.108 ( 1.947 -2.114 -2.128) 3.576 9.723 ( 0.203 0.601 1.858) 1.963 9.819 ( 1.655 -0.077 -0.706) 1.801 10.423 ( -0.327 0.791 -0.522) 1.002 10.452 ( 0.391 3.494 -1.304) 3.750 10.620 ( -2.439 -2.319 2.195) 4.018 10.782 ( 2.418 1.434 5.205) 5.916 11.882 ( -0.430 1.512 0.748) 1.741 11.952 ( 1.243 -0.187 0.191) 1.271 12.593 ( -1.131 -5.801 1.195) 6.030 12.797 ( 3.111 -5.595 -2.073) 6.729 13.295 ( -1.612 3.906 -0.612) 4.269 13.554 ( 4.255 1.571 0.468) 4.560 14.349 ( -4.149 1.149 -2.964) 5.227 14.606 ( 0.759 -3.307 3.074) 4.578 16.881 ( -0.175 -0.497 -0.435) 0.683 16.925 ( 0.870 0.019 -0.874) 1.233 17.536 ( 0.467 -0.571 0.861) 1.134 17.579 ( 0.808 -2.206 0.913) 2.520 18.216 ( -4.519 0.454 4.791) 6.602 18.349 ( 0.883 0.615 -5.008) 5.123 23.588 ( -3.099 0.559 6.247) 6.996 23.784 ( 0.231 0.563 1.395) 1.522 25.365 ( -4.214 -2.206 4.599) 6.616 25.657 ( 2.758 4.487 -5.314) 7.482 28.004 ( -1.078 0.606 1.556) 1.987 28.087 ( 1.449 0.259 -2.005) 2.488 28.916 ( -1.294 0.581 1.234) 1.880 29.017 ( 1.076 -0.561 -0.984) 1.562 29.557 ( -1.614 -5.960 0.691) 6.213 29.766 ( 2.456 -5.167 -1.165) 5.838 30.795 ( -6.394 -2.047 5.603) 8.745 31.092 ( -1.945 4.896 -0.068) 5.268 31.307 ( 3.556 4.984 -2.448) 6.594 31.420 ( 7.627 6.092 -12.540) 15.891 32.178 ( -5.081 -1.501 0.440) 5.316 32.756 ( 3.073 -2.471 5.293) 6.600 101.056 ( 0.310 0.783 -1.342) 1.584 101.105 ( 1.392 0.177 1.003) 1.724 101.436 ( -6.070 1.534 -1.022) 6.343 101.773 ( 1.275 4.061 -2.370) 4.872 ======================= Grid point 263 (134/165) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.116 -0.320 -1.926) 1.956 1.595 ( -3.464 -0.052 -0.629) 3.521 1.782 ( -4.738 4.095 7.104) 9.470 2.090 ( 2.273 2.712 2.009) 4.069 2.131 ( 2.683 -6.339 -1.000) 6.956 2.237 ( -2.681 -3.285 -1.338) 4.446 2.325 ( 5.729 1.525 -9.845) 11.492 2.548 ( -0.082 2.234 -2.787) 3.572 2.755 ( 0.219 0.732 0.404) 0.864 2.904 ( 6.665 3.748 4.651) 8.950 3.074 ( -6.595 -1.146 -2.406) 7.113 3.188 ( 0.638 3.195 -0.597) 3.312 3.472 ( -1.120 0.168 0.909) 1.453 3.538 ( -1.441 -1.054 2.142) 2.789 3.589 ( 0.366 -0.792 -0.875) 1.235 4.062 ( -3.236 4.897 6.191) 8.532 4.171 ( 3.260 1.773 -2.838) 4.672 4.379 ( 1.142 -2.425 -1.653) 3.149 4.935 ( 0.033 2.005 -4.215) 4.668 5.034 ( 1.020 0.902 2.325) 2.694 5.970 ( -0.548 0.718 -0.316) 0.957 6.160 ( 0.801 0.077 0.062) 0.807 6.447 ( 0.609 0.268 1.442) 1.588 6.499 ( -0.160 0.270 -2.918) 2.935 9.056 ( -0.526 -0.071 0.340) 0.630 9.121 ( -0.501 0.899 1.993) 2.243 9.728 ( -0.110 -0.734 -0.762) 1.064 9.837 ( 0.174 -1.246 -0.540) 1.369 10.384 ( -1.591 3.331 1.689) 4.060 10.428 ( 0.205 -2.042 -1.346) 2.454 10.659 ( -0.768 -3.455 -1.172) 3.728 10.816 ( 1.234 -0.342 2.829) 3.106 11.869 ( -0.289 -0.182 0.400) 0.526 11.964 ( 0.445 0.010 0.063) 0.450 12.650 ( 0.779 -1.322 -1.322) 2.026 12.851 ( 0.392 0.921 -0.440) 1.094 13.253 ( -0.394 -1.199 -1.613) 2.048 13.574 ( 0.971 0.767 0.943) 1.555 14.287 ( -1.133 0.867 -0.660) 1.572 14.659 ( 0.748 -0.769 0.799) 1.338 16.885 ( -0.008 -0.429 -0.766) 0.878 16.926 ( 0.545 0.322 -0.561) 0.845 17.547 ( -0.016 0.240 0.899) 0.930 17.614 ( -0.157 -0.850 0.062) 0.867 18.194 ( -3.264 0.367 5.300) 6.235 18.328 ( 1.961 0.495 -3.859) 4.357 23.599 ( -0.982 -1.538 3.055) 3.558 23.778 ( -2.752 0.500 3.651) 4.600 25.414 ( -0.021 -3.811 2.439) 4.525 25.585 ( 1.854 3.500 -4.421) 5.936 28.000 ( -0.690 -0.219 1.458) 1.628 28.085 ( 0.906 0.264 -1.858) 2.084 28.906 ( -0.694 0.180 1.365) 1.542 29.029 ( 0.992 -0.477 -1.592) 1.935 29.610 ( -0.159 -1.009 -0.361) 1.083 29.819 ( 0.313 0.171 -0.748) 0.829 30.806 ( -2.642 -1.532 4.685) 5.593 31.040 ( -0.668 -0.999 -0.725) 1.403 31.264 ( 1.779 2.211 -0.957) 2.995 31.322 ( 2.629 4.635 -6.992) 8.791 32.174 ( -1.181 -0.702 0.966) 1.679 32.829 ( 0.714 -1.515 1.733) 2.410 101.042 ( 0.268 0.523 -0.666) 0.888 101.124 ( 1.145 -0.236 0.315) 1.211 101.373 ( -1.499 0.404 -0.147) 1.559 101.724 ( -0.076 1.816 0.411) 1.863 ======================= Grid point 264 (135/165) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 8.804 -11.342 0.567) 14.369 1.550 ( -5.703 0.987 4.218) 7.162 1.720 ( -1.302 4.252 10.348) 11.263 2.065 ( -1.467 3.537 -3.747) 5.358 2.178 ( -5.536 -2.008 -2.404) 6.361 2.216 ( 1.811 -1.671 -4.736) 5.339 2.346 ( 3.916 -1.226 -7.629) 8.663 2.502 ( -4.454 0.616 0.755) 4.560 2.742 ( -1.655 -0.793 1.408) 2.313 2.882 ( -4.966 1.238 3.052) 5.959 3.058 ( 4.072 1.978 4.728) 6.546 3.114 ( 2.759 8.019 2.437) 8.824 3.454 ( -0.096 1.966 1.799) 2.666 3.548 ( -0.227 4.773 -1.715) 5.076 3.565 ( 0.613 0.600 2.716) 2.848 3.918 ( -6.770 6.318 3.054) 9.751 4.225 ( 1.528 -5.385 3.492) 6.598 4.487 ( 1.166 -7.597 -1.010) 7.752 4.932 ( 2.133 -1.940 -0.318) 2.900 5.083 ( 2.538 -2.726 2.261) 4.357 5.970 ( 2.112 0.880 1.662) 2.828 6.206 ( 3.567 -2.696 -0.799) 4.542 6.476 ( 0.890 -1.595 1.538) 2.388 6.502 ( 3.405 -0.271 -1.731) 3.829 9.009 ( -1.881 5.108 4.024) 6.769 9.103 ( 1.150 2.023 -1.735) 2.903 9.733 ( -2.249 -1.466 0.332) 2.705 9.852 ( -0.335 -1.864 -3.306) 3.810 10.343 ( -2.112 0.959 3.982) 4.609 10.476 ( 0.222 -4.034 -0.693) 4.099 10.688 ( 0.092 -2.640 -4.762) 5.445 10.847 ( -1.049 -2.377 -0.680) 2.686 11.887 ( -0.063 -1.933 0.242) 1.949 11.957 ( -0.652 0.566 -0.519) 1.007 12.635 ( 2.156 3.619 -3.005) 5.174 12.772 ( -2.244 6.843 0.296) 7.208 13.310 ( 1.090 -6.284 -2.093) 6.713 13.551 ( -3.068 0.927 0.865) 3.320 14.299 ( 2.753 -0.220 2.145) 3.497 14.653 ( 0.425 2.053 -1.678) 2.686 16.885 ( 0.022 -0.222 -0.900) 0.928 16.920 ( 0.312 0.634 -0.362) 0.794 17.536 ( -0.746 1.012 0.711) 1.444 17.599 ( -1.390 1.114 -1.044) 2.065 18.200 ( -1.525 -0.444 5.906) 6.116 18.334 ( 3.556 0.321 -2.797) 4.536 23.651 ( 0.091 -3.599 0.738) 3.675 23.753 ( -4.179 -0.021 3.794) 5.644 25.485 ( 6.367 -0.628 -6.366) 9.026 25.561 ( -2.114 -2.157 3.454) 4.588 28.012 ( -0.212 -0.911 1.125) 1.463 28.078 ( 0.266 0.133 -1.439) 1.469 28.910 ( -0.188 -0.199 1.569) 1.593 29.034 ( 0.847 -0.263 -2.469) 2.623 29.578 ( 1.186 4.523 -1.486) 4.906 29.758 ( -1.752 5.635 -0.418) 5.916 30.843 ( 1.919 -1.056 2.437) 3.277 31.089 ( 0.123 -4.890 -0.821) 4.960 31.269 ( -0.458 -1.267 2.433) 2.781 31.275 ( -0.173 -0.058 0.056) 0.190 32.175 ( 1.164 0.947 0.745) 1.676 32.836 ( -1.726 -0.276 -2.608) 3.139 101.038 ( 0.238 0.121 0.178) 0.321 101.133 ( -0.118 -0.577 -1.476) 1.589 101.402 ( 4.945 -1.204 2.310) 5.590 101.719 ( -1.237 -0.663 3.152) 3.450 ======================= Grid point 265 (136/165) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -7.309 0.653 13.769) 15.602 1.621 ( 8.573 -9.444 -2.524) 13.002 1.729 ( 1.590 3.296 10.186) 10.823 1.926 ( -6.211 1.899 -6.562) 9.233 2.113 ( -2.688 6.307 -3.402) 7.654 2.213 ( -1.530 -3.574 -3.207) 5.040 2.310 ( -4.305 2.493 -5.398) 7.341 2.436 ( -3.542 -1.521 -3.709) 5.349 2.797 ( -0.237 -5.302 2.212) 5.750 2.857 ( -2.006 -0.076 4.130) 4.592 3.048 ( 4.110 6.180 4.415) 8.636 3.122 ( 7.703 3.948 8.729) 12.293 3.388 ( -3.133 6.660 1.264) 7.468 3.452 ( 2.040 3.484 2.162) 4.580 3.557 ( -0.450 3.462 2.574) 4.337 3.797 ( -4.925 0.853 -2.071) 5.410 4.395 ( -0.709 -10.149 6.076) 11.850 4.601 ( 0.317 -5.475 -0.143) 5.486 5.028 ( 3.645 -4.585 2.467) 6.356 5.190 ( 3.542 -4.168 2.956) 6.218 6.013 ( 4.805 -0.122 4.055) 6.288 6.282 ( 2.029 -3.103 -2.800) 4.646 6.533 ( 1.170 -2.416 3.092) 4.095 6.555 ( 6.387 -0.554 -1.497) 6.583 8.917 ( -3.355 5.754 6.249) 9.133 9.059 ( 2.751 3.380 -5.492) 7.011 9.726 ( -3.992 -0.853 2.416) 4.744 9.848 ( -0.037 -0.887 -5.527) 5.598 10.355 ( -2.125 -1.542 5.830) 6.394 10.544 ( 0.522 -4.138 -1.021) 4.294 10.697 ( 0.046 -2.327 -6.607) 7.005 10.859 ( -2.733 -2.927 -3.676) 5.436 11.921 ( -1.019 -0.949 0.665) 1.543 11.932 ( -0.478 -0.316 -0.954) 1.113 12.550 ( 0.609 6.932 -1.328) 7.084 12.618 ( -1.879 7.719 -1.715) 8.127 13.438 ( 2.218 -8.122 -2.603) 8.813 13.516 ( -3.768 -1.011 2.219) 4.488 14.346 ( 2.980 0.866 3.420) 4.618 14.587 ( 0.147 4.348 -3.495) 5.580 16.885 ( 0.199 -0.116 -0.507) 0.557 16.909 ( 0.232 0.666 -0.426) 0.824 17.512 ( -0.944 1.060 0.560) 1.526 17.551 ( -1.304 1.830 -1.157) 2.527 18.235 ( -0.766 -1.072 5.638) 5.790 18.349 ( 3.761 1.149 -2.745) 4.796 23.672 ( -6.563 -0.314 6.622) 9.328 23.779 ( 2.816 -4.707 -5.784) 7.971 25.514 ( 9.447 1.122 -7.731) 12.258 25.617 ( -5.313 -4.750 5.019) 8.717 28.034 ( 0.038 -1.152 0.784) 1.394 28.071 ( -0.025 -0.048 -1.013) 1.014 28.925 ( 0.026 -0.411 1.931) 1.974 29.028 ( 0.733 0.046 -3.131) 3.216 29.493 ( 2.347 6.409 -1.794) 7.058 29.616 ( -3.249 7.661 0.184) 8.323 30.907 ( 6.926 -0.615 -0.897) 7.011 31.146 ( -5.347 -2.842 4.258) 7.403 31.306 ( 1.245 -2.908 1.433) 3.473 31.331 ( -2.055 -5.117 3.385) 6.470 32.193 ( 4.390 1.130 2.677) 5.265 32.778 ( -3.663 0.445 -6.597) 7.558 101.045 ( 0.196 -0.198 0.861) 0.905 101.127 ( -0.482 -0.542 -2.347) 2.457 101.538 ( 10.455 -3.224 2.113) 11.143 101.745 ( -2.810 -1.993 5.284) 6.308 ======================= Grid point 266 (137/165) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -3.507 -2.364 13.708) 14.345 1.696 ( 0.543 5.145 6.053) 7.963 1.751 ( -1.617 2.552 3.759) 4.822 1.844 ( -6.365 -2.449 -3.852) 7.833 1.973 ( -2.439 2.442 -2.416) 4.213 2.126 ( -3.617 4.652 -5.402) 7.995 2.313 ( 1.952 -6.997 -4.388) 8.487 2.431 ( 1.141 -1.853 -7.191) 7.514 2.862 ( 2.203 1.735 2.598) 3.823 2.881 ( -0.569 -2.449 0.779) 2.632 3.048 ( -0.626 2.011 9.379) 9.613 3.112 ( 5.971 7.815 2.931) 10.263 3.358 ( 4.085 -0.677 2.425) 4.798 3.455 ( 2.816 2.514 2.562) 4.562 3.495 ( -2.090 2.175 3.507) 4.626 3.738 ( -5.028 -1.184 -4.142) 6.621 4.555 ( -3.575 -6.911 6.347) 10.041 4.667 ( 1.524 -2.461 -1.894) 3.459 5.156 ( 2.484 -3.421 5.665) 7.068 5.308 ( 3.646 -3.235 1.883) 5.226 6.126 ( 8.231 -1.921 3.806) 9.269 6.305 ( -1.648 -1.643 -3.100) 3.876 6.601 ( 0.411 -2.056 3.639) 4.200 6.625 ( 6.235 -0.379 -1.515) 6.427 8.838 ( -3.061 3.654 6.518) 8.075 8.998 ( 2.333 2.747 -7.147) 8.004 9.710 ( -3.601 -0.213 3.920) 5.328 9.826 ( 0.644 -0.139 -5.636) 5.675 10.398 ( -1.905 -1.667 6.798) 7.254 10.602 ( 1.077 -2.880 -2.639) 4.052 10.690 ( 0.092 -1.176 -5.913) 6.029 10.836 ( -4.101 -1.636 -5.071) 6.724 11.898 ( -0.942 1.000 1.805) 2.268 11.955 ( -0.395 -1.427 -1.019) 1.797 12.429 ( -3.947 5.260 3.225) 7.324 12.493 ( 2.474 5.000 -5.884) 8.108 13.520 ( -2.645 -2.451 4.489) 5.758 13.581 ( 2.498 -6.232 -3.638) 7.637 14.362 ( 0.910 1.957 3.594) 4.193 14.492 ( 0.152 4.187 -4.159) 5.904 16.888 ( -0.086 -0.044 0.473) 0.483 16.902 ( 0.814 0.291 -1.118) 1.413 17.493 ( -0.697 0.546 0.434) 0.986 17.510 ( -0.579 1.246 -0.626) 1.510 18.273 ( -1.747 -1.218 4.851) 5.298 18.345 ( 3.651 1.767 -3.153) 5.137 23.639 ( -7.603 0.043 9.465) 12.140 23.841 ( 4.086 -3.389 -11.364) 12.543 25.575 ( 9.847 -0.211 -5.282) 11.177 25.629 ( -8.127 -2.236 4.082) 9.366 28.055 ( -0.198 -0.900 0.570) 1.083 28.068 ( 0.294 -0.018 -0.776) 0.830 28.942 ( -0.306 -0.319 2.436) 2.476 29.016 ( 0.826 0.143 -3.226) 3.333 29.422 ( 3.210 4.333 -1.601) 5.625 29.471 ( -3.886 5.233 0.850) 6.573 31.002 ( 10.119 -0.937 -2.691) 10.513 31.106 ( -10.633 0.184 6.319) 12.371 31.390 ( 3.211 -3.076 -0.162) 4.449 31.404 ( -1.927 -3.718 2.643) 4.952 32.266 ( 6.473 0.417 6.473) 9.163 32.681 ( -4.982 0.125 -9.224) 10.484 101.056 ( 0.158 -0.224 1.272) 1.301 101.118 ( -0.077 -0.355 -2.480) 2.506 101.723 ( 12.517 -3.168 -1.542) 13.004 101.769 ( -4.918 -1.628 6.259) 8.125 ======================= Grid point 268 (138/165) ======================= q-point: ( 0.12 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.911 -0.000 -3.152) 3.281 1.745 ( 4.920 -0.000 0.096) 4.921 1.812 ( 7.054 -0.000 -0.673) 7.086 1.905 ( 2.634 -0.000 0.485) 2.679 1.960 ( -3.212 0.000 5.951) 6.763 2.000 ( 8.006 -0.000 7.973) 11.299 2.277 ( -2.826 0.000 2.310) 3.650 2.452 ( 3.487 -0.000 -8.889) 9.549 2.895 ( 5.249 -0.000 -4.105) 6.663 2.933 ( -8.460 0.000 -0.533) 8.477 2.988 ( 4.904 -0.000 -4.016) 6.339 3.250 ( -4.020 0.000 -5.808) 7.064 3.298 ( 5.759 -0.000 -2.998) 6.493 3.477 ( -2.616 0.000 -3.034) 4.006 3.578 ( 3.898 -0.000 -5.269) 6.554 3.720 ( 4.260 -0.000 6.913) 8.120 4.593 ( -3.671 0.000 5.464) 6.582 4.735 ( 4.370 -0.000 -2.783) 5.181 5.276 ( -2.829 0.000 -10.879) 11.241 5.277 ( -3.763 0.000 5.049) 6.297 6.111 ( -7.102 0.000 -3.878) 8.092 6.353 ( 2.939 -0.000 -4.218) 5.141 6.532 ( -7.374 0.000 1.356) 7.497 6.649 ( -3.529 0.000 -3.862) 5.231 8.855 ( -2.212 0.000 6.264) 6.644 8.939 ( 4.459 -0.000 -6.496) 7.879 9.741 ( -0.431 0.000 5.808) 5.824 9.817 ( 4.675 -0.000 -4.316) 6.363 10.517 ( -0.550 0.000 10.191) 10.205 10.531 ( 1.555 -0.000 -7.075) 7.244 10.636 ( -4.791 0.000 -0.329) 4.802 10.810 ( 3.476 -0.000 6.172) 7.083 11.927 ( 0.628 -0.000 -2.063) 2.156 11.952 ( 0.998 -0.000 2.371) 2.572 12.337 ( -2.491 0.000 5.686) 6.207 12.494 ( 4.982 -0.000 -4.336) 6.604 13.553 ( -2.121 0.000 4.025) 4.550 13.647 ( 2.802 -0.000 -5.119) 5.835 14.380 ( -1.432 0.000 -3.091) 3.407 14.380 ( -1.495 0.000 4.290) 4.543 16.874 ( -0.867 0.000 0.548) 1.026 16.917 ( 1.184 -0.000 -1.848) 2.195 17.489 ( -0.147 0.000 1.109) 1.119 17.497 ( 0.656 -0.000 -0.010) 0.657 18.235 ( -4.140 0.000 3.368) 5.337 18.370 ( 1.520 -0.000 -4.022) 4.299 23.632 ( -5.009 0.000 13.116) 14.040 23.812 ( 2.631 -0.000 -5.341) 5.953 25.381 ( -10.523 0.000 4.530) 11.457 25.779 ( 4.716 -0.000 -3.145) 5.669 28.054 ( -0.225 0.000 0.170) 0.282 28.081 ( 0.648 -0.000 -0.607) 0.888 28.957 ( -1.693 0.000 3.011) 3.454 28.985 ( 0.194 -0.000 -2.720) 2.727 29.328 ( -2.613 0.000 1.759) 3.150 29.496 ( 4.607 -0.000 -1.826) 4.956 30.799 ( -10.362 0.000 5.835) 11.892 31.364 ( -3.391 0.000 0.843) 3.494 31.381 ( 12.493 -0.000 -6.041) 13.877 31.567 ( 10.300 -0.000 -7.870) 12.963 32.278 ( -9.382 0.000 -7.650) 12.106 32.578 ( 2.242 -0.000 9.750) 10.005 101.091 ( 0.761 -0.000 -2.848) 2.948 101.094 ( 0.583 -0.000 1.818) 1.909 101.594 ( -10.608 0.000 1.658) 10.737 101.934 ( 3.683 -0.000 -7.778) 8.606 ======================= Grid point 269 (139/165) ======================= q-point: ( 0.25 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 1.082 2.478 -0.799) 2.819 1.757 ( 0.795 8.707 -4.517) 9.841 1.814 ( 2.696 2.990 -2.202) 4.589 1.893 ( 2.109 0.299 3.117) 3.775 1.973 ( 4.920 -4.939 4.324) 8.203 2.225 ( 3.589 -2.915 5.128) 6.905 2.349 ( -0.187 -6.639 8.114) 10.486 2.419 ( 10.631 2.613 -8.289) 13.731 2.845 ( -8.882 -3.054 -2.741) 9.784 2.910 ( 3.583 2.363 -6.563) 7.841 3.006 ( 3.196 0.163 -2.547) 4.090 3.189 ( -1.783 -0.618 -7.559) 7.791 3.383 ( 5.555 -4.624 -4.514) 8.521 3.433 ( -1.799 -0.162 -2.915) 3.429 3.595 ( 2.567 -1.045 -5.126) 5.827 3.792 ( 3.968 -0.854 3.495) 5.357 4.530 ( -4.567 5.250 2.271) 7.319 4.732 ( 4.784 5.233 -1.176) 7.187 5.144 ( -4.511 2.721 -11.779) 12.904 5.225 ( -4.603 2.673 1.056) 5.426 6.012 ( -6.399 -0.167 -4.410) 7.774 6.310 ( -0.859 3.721 -2.445) 4.534 6.465 ( -6.828 -1.074 0.303) 6.918 6.570 ( -5.618 0.252 -4.254) 7.051 8.882 ( -3.438 -2.792 5.366) 6.958 8.985 ( 5.380 -3.149 -6.150) 8.757 9.767 ( 0.260 0.817 6.365) 6.423 9.847 ( 5.735 1.008 -3.095) 6.594 10.490 ( 1.338 2.530 -4.296) 5.162 10.549 ( 0.362 1.726 4.882) 5.191 10.603 ( -3.959 0.034 5.488) 6.767 10.862 ( 3.093 2.384 6.349) 7.454 11.933 ( 1.043 -0.459 -0.876) 1.437 11.956 ( 0.580 1.570 0.931) 1.916 12.390 ( -1.253 -4.463 5.836) 7.453 12.571 ( 4.881 -5.368 -3.818) 8.199 13.497 ( -1.991 5.967 2.899) 6.926 13.629 ( 3.257 2.025 -4.401) 5.837 14.348 ( -2.582 -0.540 -2.974) 3.975 14.438 ( -1.414 -5.317 4.018) 6.813 16.870 ( -0.706 -0.139 0.710) 1.011 16.919 ( 1.017 -0.214 -1.893) 2.159 17.508 ( 0.059 -1.469 0.928) 1.739 17.512 ( 0.897 -0.669 0.765) 1.355 18.213 ( -3.940 -0.352 3.099) 5.025 18.357 ( 0.189 0.022 -4.153) 4.158 23.642 ( -4.023 1.644 11.814) 12.588 23.810 ( 1.800 0.660 -1.669) 2.542 25.309 ( -8.216 -1.012 3.965) 9.179 25.775 ( 1.418 2.240 -3.293) 4.228 28.041 ( -0.334 1.279 0.551) 1.432 28.088 ( 0.798 -0.337 -1.038) 1.352 28.942 ( -1.523 0.977 1.495) 2.347 28.986 ( -0.093 -1.207 -0.952) 1.540 29.355 ( -1.367 -4.337 2.277) 5.086 29.571 ( 4.037 -4.480 -1.968) 6.344 30.743 ( -7.428 -0.853 5.840) 9.488 31.288 ( -2.678 4.896 0.406) 5.596 31.441 ( 5.821 1.897 -5.223) 8.048 31.600 ( 12.194 3.879 -14.689) 19.481 32.154 ( -6.631 0.012 -1.694) 6.844 32.663 ( 0.304 -2.460 8.394) 8.752 101.079 ( 0.699 0.480 -2.742) 2.870 101.111 ( 0.868 0.128 1.736) 1.946 101.478 ( -9.586 0.828 -0.667) 9.645 101.893 ( 0.945 2.451 -7.110) 7.580 ======================= Grid point 270 (140/165) ======================= q-point: ( 0.38 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -6.777 13.610 -0.360) 15.209 1.653 ( 3.290 4.108 -0.724) 5.312 1.818 ( 4.538 -0.122 -5.774) 7.345 1.957 ( 0.854 -2.700 4.490) 5.309 2.111 ( 2.897 -2.459 3.764) 5.349 2.267 ( -2.123 1.984 6.024) 6.688 2.363 ( 6.589 1.313 -5.788) 8.868 2.585 ( 7.852 -1.830 -5.742) 9.898 2.811 ( -2.386 3.135 -4.211) 5.767 2.846 ( -8.201 -9.840 2.040) 12.971 3.048 ( 8.632 3.601 -2.561) 9.697 3.158 ( 2.800 -2.187 -8.282) 9.012 3.420 ( -1.497 -1.989 -1.416) 2.864 3.468 ( 1.090 -2.462 -0.272) 2.706 3.599 ( 0.302 -0.154 -3.380) 3.397 3.909 ( 5.854 -7.062 -2.647) 9.547 4.364 ( -5.210 8.002 -1.546) 9.673 4.647 ( 3.465 10.337 0.264) 10.906 4.991 ( -4.477 1.915 -10.040) 11.159 5.127 ( -3.625 3.401 -0.540) 5.000 5.948 ( -3.945 -1.551 -3.116) 5.261 6.217 ( -2.652 3.341 -0.630) 4.312 6.431 ( -4.463 -2.208 -0.419) 4.997 6.489 ( -5.199 -0.277 -3.383) 6.209 8.931 ( -3.632 -4.755 4.047) 7.223 9.065 ( 3.985 -3.726 -5.167) 7.514 9.789 ( 1.755 2.249 5.461) 6.161 9.861 ( 4.010 2.344 -0.875) 4.727 10.445 ( 1.483 2.160 -2.822) 3.851 10.519 ( -0.086 3.457 -0.473) 3.490 10.602 ( -2.715 0.998 9.123) 9.571 10.876 ( 2.538 3.159 4.914) 6.370 11.920 ( -0.150 2.552 0.897) 2.710 11.957 ( 1.053 -0.492 -0.481) 1.258 12.502 ( 0.165 -6.085 3.958) 7.261 12.706 ( 3.544 -7.272 -3.020) 8.635 13.380 ( -1.265 7.129 1.928) 7.493 13.616 ( 3.216 1.505 -2.796) 4.519 14.305 ( -2.654 0.149 -2.620) 3.732 14.539 ( -1.641 -6.011 2.933) 6.886 16.872 ( -0.468 -0.293 0.683) 0.879 16.924 ( 0.856 -0.327 -1.609) 1.852 17.533 ( 0.677 -0.996 -0.133) 1.212 17.554 ( 0.142 -2.166 2.269) 3.140 18.196 ( -3.559 -0.300 3.311) 4.870 18.332 ( -0.131 -0.082 -4.156) 4.159 23.628 ( -2.339 2.519 8.312) 8.995 23.806 ( -0.265 1.039 1.719) 2.025 25.294 ( -4.743 -3.063 3.722) 6.763 25.708 ( -0.632 3.435 -4.542) 5.730 28.019 ( -0.488 1.275 1.135) 1.775 28.092 ( 0.908 0.033 -1.620) 1.857 28.921 ( -1.004 0.723 1.211) 1.731 29.001 ( -0.238 -1.231 -0.658) 1.417 29.454 ( 0.120 -6.487 2.444) 6.933 29.689 ( 2.742 -6.282 -1.698) 7.061 30.735 ( -4.454 -1.855 6.203) 7.859 31.167 ( -2.652 6.413 0.835) 6.990 31.397 ( 2.810 4.710 -5.613) 7.848 31.518 ( 5.817 6.163 -17.024) 19.016 32.143 ( 1.203 -1.013 2.835) 3.242 32.746 ( -1.634 -3.315 5.913) 6.973 101.062 ( 0.523 0.592 -2.363) 2.491 101.125 ( 0.547 0.222 1.122) 1.267 101.379 ( -5.587 0.037 -1.229) 5.721 101.812 ( -0.835 2.935 -5.162) 5.997 ======================= Grid point 271 (141/165) ======================= q-point: ( 0.50 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.366 7.133 -0.425) 7.155 1.625 ( 1.752 3.274 2.399) 4.421 1.836 ( 2.824 1.494 0.349) 3.214 2.031 ( -1.227 -4.150 1.728) 4.659 2.146 ( -0.780 0.884 2.090) 2.399 2.212 ( -3.800 2.988 1.474) 5.054 2.392 ( 9.570 1.991 -7.443) 12.286 2.526 ( -5.414 1.253 -4.638) 7.238 2.770 ( 0.042 1.208 -1.091) 1.628 2.901 ( -5.716 -2.755 -8.932) 10.956 3.092 ( 7.813 -0.584 7.128) 10.592 3.212 ( 6.529 -0.509 -5.624) 8.633 3.447 ( -0.733 -2.610 1.239) 2.981 3.505 ( -2.112 -2.481 4.849) 5.842 3.575 ( -0.245 0.292 -2.907) 2.932 4.050 ( -0.449 -3.432 -5.073) 6.142 4.212 ( 0.694 1.135 -2.164) 2.541 4.486 ( 1.639 12.326 0.601) 12.449 4.892 ( -3.802 -0.835 -5.343) 6.611 5.053 ( -1.433 1.185 -1.434) 2.348 5.945 ( -0.698 -2.402 -0.738) 2.608 6.165 ( -0.080 0.314 -1.065) 1.113 6.430 ( -3.261 -1.331 0.067) 3.523 6.443 ( -2.888 -3.058 -2.375) 4.830 8.999 ( -2.338 -4.955 2.550) 6.044 9.117 ( 1.045 -1.744 -2.361) 3.115 9.781 ( 3.176 4.355 1.551) 5.609 9.855 ( 1.102 1.951 1.601) 2.754 10.424 ( 1.996 1.016 -1.888) 2.930 10.447 ( -0.904 4.260 0.954) 4.458 10.614 ( -2.308 -0.530 5.797) 6.262 10.867 ( 1.618 3.006 1.263) 3.640 11.885 ( -0.090 1.816 0.712) 1.952 11.966 ( 0.143 0.005 -0.442) 0.464 12.617 ( 1.977 -4.411 1.243) 4.991 12.818 ( 0.935 -4.411 -2.132) 4.988 13.283 ( 0.037 4.625 1.504) 4.864 13.599 ( 0.190 1.796 -2.024) 2.713 14.281 ( 0.436 -0.524 -0.479) 0.833 14.615 ( -2.103 -4.207 0.753) 4.763 16.876 ( -0.341 -0.303 0.452) 0.642 16.928 ( 0.670 -0.131 -1.313) 1.480 17.549 ( 0.136 -0.411 -0.117) 0.448 17.593 ( -0.898 -1.331 1.687) 2.329 18.189 ( -2.822 -0.435 4.679) 5.482 18.322 ( 1.535 -0.853 -4.098) 4.458 23.616 ( -0.212 1.517 4.821) 5.058 23.784 ( -3.036 1.497 3.863) 5.137 25.345 ( -1.833 -4.813 3.231) 6.080 25.618 ( -0.515 2.785 -5.595) 6.271 28.006 ( -0.403 0.622 1.525) 1.696 28.088 ( 0.689 0.349 -1.975) 2.121 28.912 ( -0.536 0.323 1.439) 1.570 29.012 ( -0.211 -1.035 -1.375) 1.734 29.574 ( 1.736 -4.859 1.863) 5.486 29.789 ( 0.838 -3.863 -1.201) 4.131 30.776 ( -1.538 -2.740 6.353) 7.088 31.057 ( -1.878 4.104 1.267) 4.688 31.305 ( 0.079 4.150 -5.447) 6.848 31.387 ( 3.349 4.849 -11.682) 13.085 32.201 ( 4.614 0.517 2.566) 5.305 32.789 ( -4.008 -2.539 2.326) 5.284 101.047 ( 0.360 0.361 -1.543) 1.625 101.123 ( -0.770 0.002 -0.706) 1.045 101.360 ( 0.269 -1.415 0.906) 1.701 101.736 ( -1.917 1.626 -2.652) 3.654 ======================= Grid point 272 (142/165) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 12.036 -6.763 0.510) 13.816 1.597 ( -1.703 4.236 7.255) 8.571 1.838 ( 1.951 2.962 6.875) 7.736 2.021 ( -6.086 1.430 -6.631) 9.113 2.117 ( -0.334 -0.250 -0.675) 0.794 2.186 ( 0.697 -1.614 1.750) 2.481 2.398 ( 6.242 4.012 -6.878) 10.117 2.435 ( -8.691 -0.068 -0.883) 8.736 2.726 ( -2.004 1.155 -1.557) 2.788 2.805 ( -5.853 -0.438 -3.742) 6.961 3.198 ( 6.867 2.694 4.156) 8.467 3.239 ( 3.923 0.831 -0.736) 4.077 3.479 ( -0.573 -0.159 2.312) 2.387 3.569 ( -0.064 -1.712 -2.827) 3.306 3.580 ( 2.043 -2.236 4.666) 5.563 3.930 ( -8.880 5.664 2.044) 10.729 4.283 ( 5.473 4.064 -1.681) 7.021 4.362 ( -0.172 -4.046 -3.210) 5.167 4.885 ( -2.349 -3.954 0.709) 4.653 5.053 ( 0.762 -3.032 -2.359) 3.917 5.991 ( 1.665 -1.963 1.565) 3.012 6.189 ( 2.110 -2.230 -2.268) 3.817 6.431 ( -1.883 -3.312 0.095) 3.811 6.484 ( 0.486 -3.775 -0.861) 3.902 9.052 ( -0.524 -1.120 1.180) 1.710 9.117 ( -1.208 0.534 0.677) 1.484 9.747 ( 1.529 3.437 0.917) 3.872 9.837 ( 0.474 1.413 -0.916) 1.749 10.385 ( -0.753 3.234 2.857) 4.381 10.439 ( 1.538 -1.125 0.017) 1.906 10.630 ( -2.090 -1.692 1.585) 3.121 10.828 ( -0.095 1.993 -2.706) 3.362 11.874 ( 0.264 0.014 0.645) 0.697 11.954 ( -0.893 0.544 -0.887) 1.371 12.686 ( 3.751 -0.032 -1.528) 4.050 12.825 ( -2.018 2.053 -0.906) 3.018 13.263 ( 1.675 -0.467 1.234) 2.133 13.535 ( -3.520 2.077 -1.935) 4.522 14.331 ( 3.830 -1.610 2.264) 4.732 14.636 ( -2.439 -1.667 -1.673) 3.395 16.879 ( -0.090 -0.207 0.200) 0.302 16.926 ( 0.403 0.241 -1.176) 1.266 17.546 ( -0.408 0.591 0.107) 0.726 17.590 ( -1.923 0.348 0.351) 1.986 18.206 ( -2.101 -0.947 6.556) 6.949 18.346 ( 3.608 -1.279 -4.339) 5.787 23.633 ( 1.098 -0.425 2.462) 2.729 23.739 ( -4.793 1.390 4.397) 6.651 25.433 ( -1.116 -5.456 2.627) 6.157 25.558 ( 1.436 1.005 -5.758) 6.019 28.008 ( -0.342 -0.197 1.728) 1.773 28.076 ( 0.499 0.351 -2.134) 2.219 28.915 ( -0.223 -0.106 1.775) 1.793 29.014 ( -0.089 -0.783 -2.365) 2.493 29.645 ( 3.064 0.592 0.463) 3.155 29.800 ( -1.347 1.727 -0.802) 2.332 30.855 ( 1.030 -2.656 6.263) 6.881 31.027 ( -0.843 -1.602 0.676) 1.933 31.233 ( -2.250 0.138 -1.481) 2.697 31.310 ( 3.356 2.727 -7.375) 8.549 32.247 ( 5.681 2.051 2.739) 6.632 32.765 ( -6.316 -1.257 -1.987) 6.739 101.042 ( 0.269 0.015 -0.450) 0.525 101.108 ( -1.005 -0.497 -1.935) 2.236 101.434 ( 4.831 -2.948 2.505) 6.189 101.695 ( -2.842 -0.646 -0.018) 2.915 ======================= Grid point 273 (143/165) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -5.837 3.618 11.728) 13.590 1.565 ( 14.342 -9.077 -0.919) 16.998 1.855 ( -2.982 1.365 -2.023) 3.853 1.894 ( 3.755 5.638 5.214) 8.549 2.119 ( -1.895 -2.710 -4.103) 5.270 2.188 ( -1.818 5.559 -1.285) 5.988 2.303 ( -4.610 4.829 -2.867) 7.266 2.335 ( -2.870 -1.941 -5.443) 6.451 2.728 ( -1.192 -3.591 2.046) 4.302 2.789 ( -1.270 -3.865 -1.344) 4.284 3.231 ( 4.186 3.459 3.630) 6.532 3.281 ( 5.923 0.818 6.776) 9.037 3.448 ( -1.680 3.650 -0.863) 4.110 3.565 ( 0.790 3.831 2.080) 4.430 3.621 ( 4.177 1.433 -2.323) 4.990 3.742 ( -9.233 6.082 1.238) 11.125 4.292 ( -0.539 -4.468 5.833) 7.367 4.476 ( 1.601 -8.429 -6.398) 10.702 4.975 ( -0.530 -6.601 5.127) 8.375 5.136 ( 2.296 -6.307 -2.421) 7.135 6.060 ( 2.982 -2.009 3.373) 4.930 6.226 ( 0.220 -2.678 -4.453) 5.201 6.494 ( -0.988 -4.221 3.512) 5.579 6.561 ( 3.680 -3.900 -2.677) 5.993 9.014 ( -2.122 5.176 4.509) 7.185 9.099 ( 1.186 1.524 -3.060) 3.619 9.716 ( -1.413 1.656 3.002) 3.708 9.817 ( 1.091 0.126 -4.498) 4.630 10.365 ( -0.884 0.852 5.435) 5.571 10.486 ( 1.182 -2.725 -0.726) 3.058 10.641 ( -1.257 -1.750 -0.644) 2.249 10.782 ( -1.755 -0.244 -4.618) 4.947 11.894 ( 0.356 -1.343 0.416) 1.450 11.926 ( -1.334 0.602 -0.722) 1.632 12.671 ( 3.426 5.748 -2.311) 7.079 12.711 ( -2.753 6.877 -0.519) 7.426 13.344 ( 3.139 -5.258 0.200) 6.127 13.463 ( -4.460 -0.233 -0.824) 4.541 14.410 ( 3.773 -0.115 3.771) 5.335 14.600 ( -2.410 0.934 -3.452) 4.313 16.884 ( 0.353 -0.150 0.147) 0.410 16.917 ( 0.175 0.480 -1.175) 1.281 17.527 ( -0.515 1.239 0.680) 1.504 17.556 ( -1.452 1.207 -0.491) 1.951 18.240 ( -2.201 -1.017 7.288) 7.681 18.376 ( 4.028 -0.343 -5.093) 6.503 23.648 ( -4.659 0.558 6.274) 7.834 23.722 ( 0.990 -2.120 -1.700) 2.892 25.506 ( -5.795 -4.542 5.082) 8.947 25.561 ( 6.809 -0.907 -7.656) 10.286 28.021 ( -0.749 -0.811 1.881) 2.181 28.067 ( 0.887 0.068 -2.236) 2.406 28.929 ( -0.259 -0.426 2.289) 2.343 29.010 ( 0.223 -0.525 -3.166) 3.217 29.625 ( 3.694 5.781 -0.578) 6.885 29.701 ( -2.949 6.591 -0.547) 7.241 30.944 ( 0.489 -2.345 6.908) 7.311 31.072 ( 0.111 -3.355 -1.779) 3.799 31.242 ( -2.727 -4.161 1.897) 5.325 31.294 ( 4.214 -0.658 -4.980) 6.556 32.301 ( 6.964 1.864 5.067) 8.812 32.678 ( -7.847 -0.377 -5.993) 9.881 101.047 ( 0.221 -0.281 0.537) 0.645 101.099 ( -0.413 -0.722 -2.281) 2.428 101.577 ( 7.552 -4.789 1.640) 9.091 101.691 ( -4.078 -2.496 2.091) 5.218 ======================= Grid point 274 (144/165) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -4.137 -1.051 14.494) 15.110 1.734 ( 1.126 -0.432 -7.560) 7.656 1.784 ( 3.351 2.631 3.432) 5.471 1.875 ( -0.480 6.664 0.279) 6.687 2.032 ( 0.264 4.871 1.441) 5.087 2.123 ( -1.032 2.777 -6.928) 7.535 2.211 ( -1.230 -3.908 2.920) 5.031 2.350 ( 2.002 -3.332 -8.123) 9.005 2.806 ( -1.624 -4.672 2.984) 5.776 2.863 ( 3.310 -4.711 -2.819) 6.410 3.193 ( -2.056 8.055 8.144) 11.638 3.324 ( 4.896 7.928 -5.765) 10.957 3.405 ( 4.460 -0.044 9.796) 10.763 3.519 ( -1.304 1.669 5.230) 5.643 3.572 ( -1.264 5.603 -5.144) 7.711 3.619 ( -0.904 -1.268 -5.348) 5.570 4.439 ( -2.463 -8.458 8.338) 12.130 4.582 ( 1.516 -6.955 -5.904) 9.248 5.121 ( -0.342 -6.682 7.424) 9.994 5.252 ( 2.084 -6.384 -3.886) 7.759 6.166 ( 4.683 -3.896 2.414) 6.552 6.228 ( -2.497 -2.155 -4.330) 5.443 6.562 ( -2.485 -3.396 4.106) 5.880 6.639 ( 3.529 -2.640 -3.602) 5.692 8.925 ( -2.312 5.663 6.107) 8.644 9.044 ( 2.355 4.167 -6.079) 7.737 9.702 ( -2.416 0.143 4.753) 5.334 9.805 ( 1.879 -0.185 -5.554) 5.866 10.397 ( -0.974 -1.310 7.186) 7.369 10.530 ( 0.725 -3.069 -4.925) 5.848 10.665 ( 0.188 -1.794 1.887) 2.610 10.745 ( -2.988 -1.139 -4.547) 5.559 11.904 ( -0.985 -0.151 1.222) 1.577 11.925 ( 0.515 -1.268 -0.792) 1.582 12.526 ( -3.982 8.809 2.906) 10.095 12.602 ( 4.343 7.274 -5.037) 9.856 13.453 ( -3.363 -3.642 1.409) 5.154 13.481 ( 3.551 -6.905 -1.676) 7.944 14.440 ( 1.597 2.858 4.309) 5.411 14.522 ( -2.024 2.874 -4.110) 5.408 16.890 ( -0.125 0.113 0.370) 0.406 16.907 ( 0.863 0.168 -1.399) 1.653 17.506 ( -0.383 1.217 1.039) 1.645 17.522 ( -0.325 1.353 -0.552) 1.497 18.265 ( -3.145 -0.602 6.447) 7.199 18.381 ( 3.439 0.824 -5.405) 6.459 23.618 ( -6.584 0.222 9.283) 11.383 23.774 ( 3.242 -3.094 -6.247) 7.688 25.513 ( -9.010 -2.664 5.637) 10.957 25.632 ( 8.510 -1.919 -6.533) 10.899 28.035 ( -1.313 -1.050 1.578) 2.306 28.070 ( 1.540 -0.176 -1.908) 2.458 28.945 ( -0.897 -0.461 2.734) 2.914 29.003 ( 0.793 -0.295 -3.303) 3.410 29.533 ( -3.101 7.434 0.840) 8.098 29.560 ( 3.443 7.363 -1.756) 8.316 30.974 ( -10.679 -1.221 8.874) 13.938 31.126 ( 10.113 -1.220 -6.350) 12.004 31.313 ( -1.962 -5.345 2.176) 6.095 31.369 ( 5.816 -4.188 -3.870) 8.145 32.389 ( 5.869 0.882 8.292) 10.197 32.557 ( -7.362 -0.227 -8.620) 11.338 101.060 ( 0.219 -0.413 1.195) 1.283 101.096 ( 0.212 -0.663 -2.408) 2.506 101.694 ( -6.408 -3.069 3.798) 8.056 101.755 ( 8.469 -5.272 -2.334) 10.245 ======================= Grid point 277 (145/165) ======================= q-point: ( 0.25 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -0.328 0.000 -1.606) 1.639 1.813 ( 1.180 -0.000 -6.784) 6.886 1.886 ( 5.663 -0.000 -6.465) 8.595 1.946 ( 6.925 -0.000 3.592) 7.802 2.034 ( 4.712 -0.000 6.077) 7.690 2.262 ( -3.287 0.000 10.367) 10.876 2.285 ( -0.997 0.000 4.828) 4.930 2.550 ( 14.982 -0.000 -1.240) 15.034 2.674 ( -9.055 0.000 -9.492) 13.118 2.955 ( -2.826 0.000 -5.187) 5.907 3.007 ( 7.563 -0.000 -2.056) 7.838 3.157 ( 2.540 -0.000 -7.006) 7.452 3.374 ( 6.383 -0.000 -5.987) 8.751 3.400 ( -0.341 0.000 -3.982) 3.997 3.581 ( 1.892 -0.000 -5.480) 5.798 3.815 ( 0.936 -0.000 -0.588) 1.106 4.526 ( -5.806 0.000 -0.980) 5.889 4.804 ( 2.719 -0.000 -5.626) 6.249 5.054 ( -4.154 0.000 -8.545) 9.502 5.186 ( -5.502 0.000 -1.528) 5.710 5.919 ( -5.826 0.000 -3.528) 6.811 6.308 ( -2.850 0.000 -3.342) 4.392 6.373 ( -7.255 0.000 -0.605) 7.280 6.463 ( -8.535 0.000 -4.136) 9.484 8.846 ( -4.545 0.000 5.394) 7.054 8.988 ( 6.356 -0.000 -6.804) 9.311 9.816 ( 0.715 -0.000 7.173) 7.209 9.918 ( 7.826 -0.000 -2.277) 8.151 10.520 ( 3.554 -0.000 -4.981) 6.119 10.535 ( -4.124 0.000 2.157) 4.654 10.658 ( -0.634 0.000 13.791) 13.805 10.950 ( 2.917 -0.000 5.463) 6.192 11.934 ( 1.418 -0.000 -1.061) 1.771 11.979 ( 0.061 -0.000 0.398) 0.403 12.383 ( -0.417 0.000 7.321) 7.332 12.557 ( 5.023 -0.000 -3.970) 6.403 13.548 ( -2.314 0.000 3.533) 4.223 13.644 ( 2.742 -0.000 -5.952) 6.553 14.310 ( -1.664 0.000 -2.850) 3.300 14.388 ( -2.337 0.000 3.740) 4.411 16.868 ( -0.769 0.000 1.456) 1.647 16.916 ( 1.028 -0.000 -2.257) 2.480 17.501 ( -0.142 0.000 1.577) 1.583 17.521 ( 1.197 -0.000 0.657) 1.366 18.187 ( -3.154 0.000 2.292) 3.899 18.330 ( -1.087 0.000 -3.697) 3.853 23.686 ( -3.404 0.000 11.960) 12.435 23.826 ( 0.917 -0.000 0.333) 0.976 25.239 ( -6.199 0.000 2.902) 6.844 25.771 ( -2.390 0.000 -3.064) 3.887 28.056 ( 0.432 -0.000 -0.178) 0.467 28.083 ( 0.035 -0.000 -0.319) 0.321 28.948 ( -2.480 0.000 3.411) 4.218 28.962 ( 0.781 -0.000 -2.654) 2.767 29.327 ( -0.286 0.000 3.396) 3.408 29.562 ( 3.744 -0.000 -2.652) 4.588 30.706 ( -4.566 0.000 6.522) 7.961 31.300 ( -3.320 0.000 0.955) 3.455 31.479 ( 4.368 -0.000 -6.854) 8.127 31.642 ( 6.452 -0.000 -20.447) 21.441 32.124 ( 1.383 -0.000 3.279) 3.559 32.672 ( -2.603 0.000 7.767) 8.192 101.073 ( 0.728 -0.000 -3.256) 3.337 101.130 ( 0.432 -0.000 1.655) 1.711 101.379 ( -7.799 0.000 -1.659) 7.974 101.867 ( -1.270 0.000 -7.672) 7.776 ======================= Grid point 278 (146/165) ======================= q-point: ( 0.38 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -5.038 8.245 -1.619) 9.797 1.756 ( 0.245 3.502 -4.753) 5.909 1.870 ( 8.660 3.042 -4.019) 10.020 2.022 ( 5.454 3.206 4.665) 7.860 2.133 ( 2.605 -1.841 4.299) 5.353 2.285 ( -0.630 0.284 3.493) 3.561 2.352 ( -1.621 -5.491 3.174) 6.546 2.545 ( -9.746 -2.587 -9.916) 14.142 2.700 ( 11.413 -0.408 1.280) 11.492 2.854 ( -1.375 4.117 -3.598) 5.637 3.120 ( 4.057 -0.827 -8.627) 9.569 3.154 ( 8.293 -3.165 0.933) 8.926 3.380 ( 0.481 0.038 -3.960) 3.990 3.435 ( 3.422 -2.562 -2.837) 5.131 3.574 ( 0.595 -0.637 -3.972) 4.067 3.835 ( 1.728 -3.781 -5.501) 6.895 4.395 ( -5.730 5.188 -5.876) 9.710 4.729 ( -3.908 0.637 -11.734) 12.383 4.974 ( 0.106 5.196 -0.319) 5.207 5.110 ( -4.408 1.367 -1.783) 4.947 5.865 ( -3.275 -1.620 -1.676) 4.020 6.221 ( -4.296 2.480 -2.533) 5.570 6.319 ( -5.590 -2.904 -1.734) 6.534 6.377 ( -7.802 -2.391 -3.100) 8.729 8.849 ( -4.552 -2.871 5.386) 7.614 9.031 ( 5.261 -2.079 -7.270) 9.211 9.863 ( 1.066 0.652 7.785) 7.885 9.967 ( 7.293 3.049 -1.613) 8.068 10.480 ( -1.354 2.140 1.021) 2.730 10.536 ( 0.880 0.653 -2.545) 2.771 10.702 ( -0.082 3.457 12.857) 13.314 10.980 ( 2.371 2.823 3.751) 5.259 11.949 ( 0.660 -0.197 -0.089) 0.695 11.964 ( -0.009 1.301 -0.279) 1.331 12.453 ( 0.424 -3.687 6.269) 7.285 12.627 ( 4.108 -4.705 -3.754) 7.288 13.490 ( -1.969 5.740 3.391) 6.951 13.637 ( 2.519 0.384 -5.404) 5.975 14.276 ( -0.676 0.289 -2.349) 2.461 14.429 ( -3.137 -5.490 2.573) 6.826 16.869 ( -0.761 -0.079 1.769) 1.927 16.918 ( 1.100 -0.329 -2.151) 2.438 17.518 ( 0.025 -0.984 1.082) 1.463 17.546 ( 0.778 -0.968 1.591) 2.019 18.172 ( -2.457 -0.410 2.089) 3.251 18.297 ( -1.509 -0.446 -3.414) 3.759 23.697 ( -2.012 2.237 9.379) 9.850 23.829 ( -0.917 0.906 2.602) 2.904 25.223 ( -3.006 -2.263 2.698) 4.630 25.697 ( -4.553 1.592 -4.303) 6.464 28.045 ( 0.128 1.445 0.468) 1.524 28.088 ( 0.280 -0.479 -0.927) 1.080 28.930 ( -1.484 0.766 2.134) 2.710 28.973 ( 0.233 -1.209 -1.362) 1.836 29.386 ( 0.671 -4.336 4.023) 5.952 29.617 ( 2.756 -4.181 -2.889) 5.782 30.718 ( -2.052 -0.797 7.798) 8.103 31.235 ( -2.943 4.414 1.430) 5.495 31.451 ( 2.050 2.918 -7.093) 7.939 31.527 ( 0.952 3.148 -20.117) 20.384 32.205 ( 8.153 -0.095 3.594) 8.910 32.694 ( -4.610 -2.413 5.850) 7.829 101.059 ( 0.537 0.301 -3.093) 3.154 101.129 ( -1.455 0.187 -0.341) 1.506 101.321 ( -2.372 -0.743 0.122) 2.489 101.792 ( -2.722 1.254 -6.762) 7.396 ======================= Grid point 279 (147/165) ======================= q-point: ( 0.50 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.592 9.339 0.844) 9.396 1.695 ( 0.506 1.983 -3.083) 3.701 1.896 ( 5.880 1.502 -3.733) 7.125 2.049 ( 2.839 2.942 7.729) 8.744 2.154 ( -1.913 0.813 -0.030) 2.079 2.237 ( -4.000 3.359 3.805) 6.462 2.421 ( -7.617 -1.158 -1.435) 7.837 2.457 ( 3.833 -2.198 -5.927) 7.393 2.783 ( 1.701 -0.509 -5.086) 5.387 2.787 ( 0.634 2.146 -2.608) 3.436 3.128 ( 6.222 -2.497 -5.818) 8.877 3.322 ( 7.395 2.943 1.416) 8.084 3.381 ( -1.292 -6.393 2.934) 7.151 3.470 ( -0.893 -1.223 1.113) 1.880 3.557 ( -0.685 0.219 -3.032) 3.116 3.918 ( 2.301 -7.434 -10.300) 12.910 4.234 ( -1.542 4.000 -4.134) 5.955 4.607 ( -5.103 1.327 -9.234) 10.633 4.872 ( -0.097 7.008 1.775) 7.230 5.035 ( -2.738 1.466 -2.612) 4.058 5.890 ( 0.362 -3.540 0.512) 3.595 6.152 ( -1.335 0.060 -2.560) 2.888 6.327 ( -3.833 -4.443 -2.215) 6.272 6.329 ( -6.389 -3.853 -1.517) 7.613 8.902 ( -3.496 -5.164 5.184) 8.110 9.075 ( 2.899 -2.528 -6.419) 7.483 9.895 ( 1.333 2.286 6.151) 6.696 9.951 ( 4.675 5.931 -0.332) 7.559 10.450 ( -1.465 0.693 1.852) 2.461 10.495 ( 1.261 3.273 -3.034) 4.638 10.692 ( -0.160 5.312 10.439) 11.714 10.953 ( 1.680 4.563 0.300) 4.872 11.923 ( -0.272 2.275 0.683) 2.390 11.963 ( 0.086 -0.078 -0.694) 0.703 12.569 ( 1.671 -5.361 3.828) 6.796 12.730 ( 1.908 -5.686 -3.432) 6.910 13.391 ( -0.571 6.355 3.570) 7.311 13.611 ( 0.215 1.759 -4.614) 4.942 14.279 ( 2.294 -1.104 -0.604) 2.617 14.498 ( -4.187 -6.057 0.709) 7.397 16.873 ( -0.668 -0.138 1.653) 1.789 16.924 ( 1.017 -0.320 -1.943) 2.216 17.538 ( 0.191 -0.799 0.250) 0.859 17.577 ( -0.649 -0.970 1.923) 2.250 18.173 ( -2.232 -0.902 3.557) 4.295 18.287 ( 0.255 -1.863 -3.760) 4.204 23.685 ( 0.068 2.906 6.119) 6.774 23.802 ( -3.173 1.996 4.057) 5.524 25.273 ( -0.644 -4.002 3.095) 5.100 25.596 ( -3.813 1.193 -5.798) 7.041 28.027 ( -0.167 1.246 1.369) 1.859 28.087 ( 0.453 0.136 -1.780) 1.842 28.919 ( -1.254 0.345 2.425) 2.751 28.985 ( 0.512 -0.943 -2.118) 2.374 29.514 ( 1.789 -6.530 3.893) 7.810 29.708 ( 1.132 -5.649 -2.587) 6.316 30.772 ( -0.150 -1.605 8.639) 8.788 31.127 ( -2.459 5.817 1.731) 6.548 31.334 ( -1.955 4.919 -8.354) 9.890 31.408 ( 3.142 2.417 -13.763) 14.323 32.308 ( 9.045 1.393 2.535) 9.496 32.701 ( -6.680 -2.450 2.719) 7.616 101.044 ( 0.365 0.151 -2.288) 2.321 101.099 ( -2.084 -0.148 -1.921) 2.838 101.353 ( 2.187 -1.890 2.602) 3.889 101.706 ( -3.545 0.941 -4.989) 6.193 ======================= Grid point 280 (148/165) ======================= q-point: ( 0.62 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 10.021 -1.718 2.679) 10.514 1.638 ( -5.522 1.350 -0.976) 5.768 1.902 ( 3.767 1.718 -1.432) 4.381 2.056 ( 1.100 4.086 3.023) 5.201 2.102 ( -1.335 1.437 1.708) 2.600 2.209 ( 0.557 0.339 6.405) 6.438 2.322 ( -10.141 0.166 -1.263) 10.221 2.483 ( 4.300 2.588 -6.414) 8.144 2.715 ( -0.916 2.574 -5.600) 6.231 2.747 ( -1.454 0.916 -2.393) 2.946 3.237 ( 5.533 -3.709 -4.953) 8.300 3.283 ( -1.408 0.905 0.341) 1.708 3.465 ( -1.854 -0.901 2.642) 3.350 3.521 ( -2.364 -0.952 0.606) 2.620 3.580 ( 5.214 -5.188 5.825) 9.383 3.931 ( -1.367 0.408 -7.671) 7.803 4.236 ( 3.056 -3.488 -1.112) 4.769 4.456 ( -3.076 6.688 -6.148) 9.591 4.814 ( -1.457 -0.043 3.829) 4.097 4.989 ( -0.992 -1.433 -4.797) 5.104 5.975 ( 2.242 -3.387 2.548) 4.795 6.150 ( -0.110 -1.954 -3.971) 4.427 6.336 ( -2.697 -5.152 0.268) 5.821 6.386 ( -1.177 -6.362 -1.980) 6.766 8.990 ( -1.881 -5.544 4.086) 7.140 9.099 ( 0.507 -1.432 -3.540) 3.852 9.871 ( 3.347 6.627 0.884) 7.477 9.889 ( -0.320 4.269 2.097) 4.767 10.431 ( -2.412 1.268 2.413) 3.640 10.458 ( 3.238 1.228 -2.647) 4.358 10.655 ( -1.223 4.507 8.388) 9.601 10.872 ( 0.474 5.239 -4.027) 6.625 11.896 ( 0.269 1.450 1.147) 1.868 11.949 ( -0.808 0.720 -1.107) 1.548 12.688 ( 3.012 -3.972 1.056) 5.096 12.790 ( -0.802 -2.593 -2.787) 3.890 13.332 ( 1.682 3.903 3.899) 5.768 13.527 ( -2.853 3.400 -4.175) 6.093 14.356 ( 5.035 -2.567 1.843) 5.944 14.534 ( -4.823 -4.574 -1.472) 6.808 16.879 ( -0.312 -0.190 1.341) 1.390 16.925 ( 0.750 0.018 -1.933) 2.073 17.550 ( 0.443 -0.033 0.140) 0.466 17.577 ( -1.912 0.124 0.966) 2.146 18.196 ( -2.560 -1.598 6.157) 6.856 18.319 ( 2.613 -2.831 -4.871) 6.211 23.681 ( 1.260 2.076 4.056) 4.728 23.745 ( -4.448 2.489 4.124) 6.557 25.357 ( -0.880 -4.272 4.012) 5.926 25.531 ( -0.320 -0.771 -6.909) 6.959 28.017 ( -0.589 0.632 2.132) 2.301 28.076 ( 0.774 0.423 -2.523) 2.673 28.919 ( -1.282 -0.138 2.855) 3.132 28.990 ( 1.025 -0.569 -3.145) 3.357 29.653 ( 2.608 -4.489 2.781) 5.890 29.772 ( -0.626 -2.853 -2.223) 3.671 30.859 ( 0.892 -2.516 8.273) 8.693 31.032 ( -2.178 3.183 1.055) 3.999 31.215 ( -2.614 2.390 -2.811) 4.522 31.338 ( 4.339 2.105 -11.986) 12.920 32.380 ( 8.076 2.657 3.453) 9.176 32.655 ( -8.081 -1.116 -1.465) 8.288 101.039 ( 0.388 -0.208 -0.976) 1.071 101.076 ( -1.180 -0.620 -2.004) 2.407 101.446 ( 4.236 -3.126 3.280) 6.202 101.639 ( -4.074 -0.600 -2.880) 5.025 ======================= Grid point 281 (149/165) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -8.763 -1.201 3.765) 9.613 1.590 ( 12.546 -6.494 -2.440) 14.336 1.910 ( 4.650 4.030 3.054) 6.869 1.988 ( -4.178 0.868 -2.850) 5.132 2.114 ( 0.518 2.528 5.612) 6.177 2.173 ( -6.374 3.127 -1.028) 7.174 2.278 ( 3.594 -1.241 2.214) 4.399 2.378 ( -0.564 7.026 -6.663) 9.699 2.685 ( 0.181 -1.354 0.223) 1.384 2.726 ( 0.624 -1.766 -2.942) 3.488 3.258 ( -2.450 -2.451 3.404) 4.858 3.339 ( 3.207 -2.664 -2.499) 4.860 3.462 ( -1.198 0.113 0.817) 1.455 3.506 ( -1.279 -0.850 -3.008) 3.377 3.750 ( 5.535 -1.895 6.111) 8.459 3.809 ( -4.170 8.626 0.690) 9.606 4.297 ( -2.878 1.866 -1.225) 3.642 4.336 ( 3.562 -4.088 -5.692) 7.861 4.883 ( -1.421 -6.007 6.872) 9.238 5.023 ( 1.289 -6.279 -6.250) 8.952 6.059 ( 0.674 -2.673 4.007) 4.864 6.153 ( -0.623 -2.396 -5.402) 5.942 6.419 ( -1.946 -5.488 3.291) 6.688 6.489 ( 3.079 -6.567 -3.773) 8.175 9.065 ( 0.011 -1.008 2.181) 2.403 9.091 ( -1.208 -0.388 -0.297) 1.303 9.787 ( -0.419 5.879 2.262) 6.313 9.832 ( 1.170 2.863 -2.484) 3.967 10.406 ( -0.961 1.312 3.350) 3.724 10.471 ( 1.923 -0.645 -2.818) 3.472 10.629 ( -1.626 1.635 7.201) 7.561 10.768 ( -0.381 3.495 -6.001) 6.955 11.895 ( 0.366 0.231 1.288) 1.359 11.918 ( -0.838 0.771 -1.129) 1.603 12.754 ( -1.268 1.479 -1.070) 2.223 12.759 ( 2.396 1.847 -1.565) 3.406 13.349 ( 3.527 -0.004 3.481) 4.956 13.419 ( -3.667 2.052 -3.407) 5.410 14.463 ( 4.748 -1.506 3.470) 6.070 14.528 ( -4.720 -2.607 -3.176) 6.258 16.888 ( 0.166 -0.207 0.944) 0.981 16.918 ( 0.533 0.348 -1.950) 2.051 17.547 ( -0.609 1.028 0.907) 1.500 17.557 ( -0.182 0.574 -0.048) 0.604 18.231 ( -3.367 -1.620 7.440) 8.326 18.364 ( 3.175 -2.117 -6.035) 7.140 23.657 ( -5.232 2.337 6.189) 8.434 23.717 ( 2.040 0.136 0.297) 2.066 25.417 ( -4.350 -2.968 5.439) 7.571 25.546 ( 4.720 -3.046 -7.602) 9.453 28.015 ( -1.417 0.012 2.482) 2.858 28.068 ( 1.615 0.163 -2.872) 3.299 28.927 ( -1.610 -0.566 3.084) 3.524 28.992 ( 1.721 -0.278 -3.600) 4.000 29.716 ( -0.036 1.431 1.646) 2.181 29.755 ( 0.807 2.453 -2.342) 3.486 30.930 ( -4.924 -1.159 8.673) 10.041 31.026 ( 3.211 -3.059 -1.727) 4.759 31.173 ( -2.958 -1.364 1.959) 3.801 31.309 ( 6.618 0.238 -11.073) 12.903 32.437 ( 3.208 2.059 6.803) 7.799 32.562 ( -4.548 0.467 -5.739) 7.338 101.047 ( 0.289 -0.387 0.336) 0.588 101.071 ( -0.115 -0.869 -2.000) 2.184 101.571 ( 2.766 -4.201 2.629) 5.675 101.611 ( -2.516 -2.744 -1.388) 3.973 ======================= Grid point 282 (150/165) ======================= q-point: (-0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -10.529 -4.695 7.173) 13.578 1.764 ( 7.735 1.635 -8.081) 11.305 1.871 ( -4.470 2.520 -4.997) 7.162 1.927 ( 3.756 4.511 3.589) 6.880 2.021 ( -5.458 -2.955 1.518) 6.389 2.206 ( -2.420 2.728 4.266) 5.612 2.242 ( 10.436 5.273 -0.515) 11.704 2.324 ( 5.034 0.154 -4.117) 6.505 2.746 ( 0.852 -3.361 2.003) 4.005 2.792 ( 3.392 -5.957 -3.458) 7.678 3.262 ( -5.802 1.915 2.063) 6.449 3.384 ( 0.559 -2.140 -3.453) 4.101 3.460 ( -2.936 0.872 -2.418) 3.902 3.505 ( 4.098 -1.680 2.964) 5.329 3.600 ( -5.457 9.091 2.847) 10.978 3.778 ( 8.329 8.202 -1.764) 11.822 4.324 ( -2.955 -7.036 5.966) 9.686 4.434 ( 2.159 -7.997 -6.546) 10.558 5.029 ( -1.247 -7.884 7.555) 10.991 5.121 ( 1.460 -7.498 -7.543) 10.735 6.116 ( -2.889 -3.601 -0.677) 4.666 6.168 ( 1.284 -2.241 -0.769) 2.695 6.492 ( -2.891 -4.247 3.255) 6.082 6.587 ( 2.079 -4.150 -4.516) 6.476 9.021 ( -1.874 4.784 4.320) 6.713 9.095 ( 1.881 1.674 -3.228) 4.093 9.719 ( -2.065 2.178 3.618) 4.701 9.803 ( 2.242 0.759 -4.049) 4.690 10.411 ( -0.991 -0.379 5.329) 5.434 10.479 ( 1.210 -1.261 -5.468) 5.741 10.648 ( -1.885 -0.734 5.487) 5.848 10.704 ( 0.341 0.455 -2.651) 2.711 11.891 ( -1.164 -0.431 0.567) 1.365 11.920 ( 1.311 -0.363 0.064) 1.361 12.633 ( -3.481 7.230 1.014) 8.088 12.740 ( 4.558 5.680 -2.970) 7.865 13.362 ( -3.436 -2.282 -1.332) 4.335 13.441 ( 4.777 -3.237 1.198) 5.893 14.484 ( -4.283 -0.512 -3.690) 5.676 14.526 ( 2.643 1.650 4.009) 5.077 16.892 ( -0.284 0.284 -0.049) 0.405 16.912 ( 1.133 0.036 -1.214) 1.661 17.526 ( -0.615 0.970 0.884) 1.450 17.548 ( 1.047 1.551 0.288) 1.893 18.251 ( -4.294 -0.890 6.786) 8.079 18.381 ( 2.445 -0.665 -6.341) 6.829 23.607 ( -5.656 0.731 7.391) 9.335 23.750 ( 2.729 -1.063 -1.538) 3.308 25.424 ( -6.647 -1.429 5.590) 8.802 25.625 ( 6.083 -3.861 -6.478) 9.688 28.015 ( -1.677 -0.588 1.987) 2.665 28.073 ( 1.982 -0.195 -2.390) 3.111 28.934 ( -1.945 -0.720 2.385) 3.160 28.998 ( 2.017 -0.062 -2.614) 3.303 29.616 ( -3.822 6.652 0.338) 7.680 29.710 ( 4.044 6.096 -1.375) 7.444 30.901 ( -9.485 0.201 7.385) 12.023 31.117 ( 2.415 -4.666 -2.286) 5.730 31.234 ( 1.894 -5.304 1.374) 5.797 31.356 ( 8.945 -2.781 -9.877) 13.612 32.381 ( -10.766 0.137 -1.327) 10.848 32.567 ( 8.103 2.026 3.417) 9.025 101.060 ( 0.071 -0.623 0.719) 0.954 101.077 ( 0.823 -0.683 -1.658) 1.973 101.584 ( -6.781 -3.052 0.837) 7.483 101.726 ( 5.198 -5.557 -1.336) 7.725 ======================= Grid point 286 (151/165) ======================= q-point: ( 0.38 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -4.355 0.000 -1.204) 4.518 1.735 ( -0.586 0.000 -7.523) 7.546 1.969 ( 7.295 -0.000 -6.701) 9.906 2.112 ( -2.644 0.000 6.818) 7.313 2.218 ( 6.211 -0.000 4.840) 7.875 2.254 ( 2.334 -0.000 -0.725) 2.444 2.320 ( -1.578 0.000 4.119) 4.411 2.377 ( -9.374 0.000 -2.693) 9.754 2.834 ( 9.104 -0.000 -0.163) 9.105 2.881 ( 2.473 -0.000 -3.166) 4.017 3.117 ( 1.072 -0.000 -8.603) 8.670 3.144 ( 3.298 -0.000 0.867) 3.410 3.389 ( 2.545 -0.000 -1.304) 2.860 3.445 ( 4.420 -0.000 -2.366) 5.013 3.552 ( -0.042 0.000 -3.031) 3.031 3.777 ( 1.278 -0.000 -8.439) 8.535 4.342 ( -2.776 0.000 -10.941) 11.288 4.560 ( -9.546 0.000 -14.640) 17.477 5.056 ( 2.627 -0.000 1.616) 3.084 5.074 ( -3.882 0.000 1.042) 4.019 5.821 ( -1.212 0.000 0.337) 1.258 6.160 ( -6.002 0.000 -5.101) 7.877 6.236 ( -4.274 0.000 -1.182) 4.434 6.253 ( -6.526 0.000 -2.316) 6.925 8.810 ( -4.554 0.000 6.771) 8.159 9.025 ( 4.967 -0.000 -8.847) 10.146 9.924 ( 0.641 -0.000 8.696) 8.720 10.064 ( 7.326 -0.000 -2.357) 7.696 10.480 ( -4.834 0.000 5.221) 7.115 10.550 ( 3.981 -0.000 -5.012) 6.401 10.810 ( 0.426 -0.000 12.987) 12.994 11.045 ( 2.087 -0.000 1.846) 2.786 11.952 ( 0.849 -0.000 -0.397) 0.937 11.971 ( -0.606 0.000 -0.211) 0.642 12.462 ( -0.051 0.000 6.847) 6.847 12.609 ( 3.966 -0.000 -4.328) 5.870 13.535 ( -2.859 0.000 4.042) 4.951 13.634 ( 2.868 -0.000 -6.217) 6.846 14.269 ( 1.008 -0.000 -2.297) 2.509 14.355 ( -3.859 0.000 2.106) 4.396 16.871 ( -1.047 0.000 2.389) 2.609 16.916 ( 1.462 -0.000 -2.336) 2.756 17.521 ( 0.237 -0.000 2.005) 2.019 17.553 ( 0.626 -0.000 1.047) 1.220 18.157 ( -1.350 0.000 1.207) 1.811 18.252 ( -2.589 0.000 -2.586) 3.659 23.748 ( -1.418 0.000 8.361) 8.481 23.840 ( -1.944 0.000 3.603) 4.094 25.202 ( 0.145 -0.000 2.547) 2.551 25.619 ( -6.801 0.000 -5.028) 8.458 28.067 ( 0.913 -0.000 -0.586) 1.084 28.076 ( -0.576 0.000 0.196) 0.609 28.929 ( -2.972 0.000 3.769) 4.800 28.964 ( 2.289 -0.000 -2.992) 3.767 29.382 ( 0.707 -0.000 4.976) 5.026 29.589 ( 2.130 -0.000 -3.973) 4.508 30.749 ( -0.323 0.000 9.954) 9.959 31.253 ( -2.696 0.000 2.493) 3.672 31.431 ( -1.907 0.000 -18.972) 19.068 31.450 ( 1.517 -0.000 -8.677) 8.808 32.329 ( 11.139 -0.000 2.011) 11.319 32.648 ( -6.083 0.000 5.048) 7.904 101.049 ( 0.411 -0.000 -3.175) 3.202 101.095 ( -2.817 0.000 -2.426) 3.718 101.321 ( 1.648 -0.000 3.010) 3.432 101.726 ( -4.001 0.000 -6.995) 8.058 ======================= Grid point 287 (152/165) ======================= q-point: ( 0.50 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -2.041 5.718 2.144) 6.439 1.674 ( -0.989 1.015 -8.491) 8.608 1.966 ( 2.684 2.730 -1.679) 4.180 2.091 ( -6.466 -2.296 -2.888) 7.444 2.221 ( 6.929 5.254 4.251) 9.679 2.270 ( -4.035 2.141 5.891) 7.455 2.317 ( -4.875 -0.465 0.613) 4.935 2.411 ( 4.529 -5.375 -0.369) 7.038 2.841 ( 2.343 4.895 -1.897) 5.749 2.862 ( 3.896 5.732 -2.643) 7.417 3.104 ( 4.936 -3.581 -7.168) 9.411 3.233 ( -4.912 -6.809 -2.447) 8.745 3.417 ( 0.136 -0.093 7.967) 7.969 3.474 ( 1.454 0.092 1.032) 1.786 3.535 ( 0.053 -0.344 -2.744) 2.766 3.779 ( 2.672 -4.465 -12.156) 13.223 4.254 ( 2.999 2.024 -9.229) 9.913 4.417 ( -10.056 -3.983 -10.429) 15.025 5.015 ( -1.345 4.980 2.607) 5.780 5.043 ( 0.305 3.825 -0.066) 3.837 5.857 ( 2.499 -2.899 2.057) 4.346 6.088 ( -4.347 -2.116 -5.452) 7.287 6.202 ( -3.370 -2.244 -1.223) 4.229 6.219 ( -2.914 -2.680 -1.653) 4.290 8.830 ( -3.828 -3.004 7.580) 9.007 9.033 ( 3.661 -1.489 -9.115) 9.935 9.966 ( -0.463 1.176 8.083) 8.181 10.086 ( 5.414 3.918 -2.860) 7.269 10.449 ( -4.624 1.088 5.777) 7.479 10.545 ( 3.503 2.058 -5.305) 6.682 10.845 ( 0.634 4.579 10.985) 11.918 11.039 ( 1.729 3.558 -1.154) 4.121 11.951 ( -0.410 1.127 0.354) 1.250 11.961 ( 0.199 0.048 -0.585) 0.620 12.528 ( 0.029 -3.801 5.493) 6.680 12.653 ( 2.562 -3.638 -4.554) 6.367 13.490 ( -2.222 4.122 4.640) 6.593 13.618 ( 1.815 1.592 -5.861) 6.339 14.286 ( 3.401 -1.178 -1.119) 3.770 14.362 ( -4.710 -4.539 0.815) 6.592 16.873 ( -1.123 -0.099 2.415) 2.665 16.921 ( 1.524 -0.158 -2.336) 2.793 17.539 ( 0.665 -0.271 1.505) 1.667 17.567 ( -0.395 -0.509 0.988) 1.180 18.157 ( -1.216 -0.488 2.178) 2.542 18.229 ( -1.365 -2.033 -2.588) 3.563 23.762 ( -0.200 1.983 6.202) 6.514 23.823 ( -2.950 1.607 4.025) 5.243 25.251 ( 2.416 -1.902 3.455) 4.625 25.516 ( -5.858 -0.164 -6.075) 8.441 28.053 ( -0.194 1.288 0.925) 1.598 28.082 ( 0.406 -0.283 -1.247) 1.341 28.918 ( -2.718 0.045 3.723) 4.610 28.976 ( 2.581 -0.271 -3.386) 4.266 29.459 ( 0.910 -4.724 5.180) 7.069 29.617 ( 0.881 -4.039 -4.293) 5.960 30.816 ( 0.552 -0.417 11.505) 11.526 31.197 ( -2.354 4.870 0.535) 5.435 31.305 ( -1.967 1.109 -12.212) 12.419 31.398 ( 1.490 1.565 -9.780) 10.016 32.447 ( 10.641 1.150 0.831) 10.735 32.611 ( -7.310 -1.150 2.848) 7.929 101.035 ( 0.302 0.016 -2.406) 2.425 101.059 ( -1.812 -0.419 -2.357) 3.003 101.379 ( 3.391 -1.012 4.438) 5.676 101.639 ( -4.660 0.232 -6.119) 7.695 ======================= Grid point 288 (153/165) ======================= q-point: (-0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 3.992 0.919 5.738) 7.050 1.572 ( -3.817 2.461 -8.801) 9.904 1.950 ( -3.559 -0.599 3.638) 5.125 2.041 ( 1.109 1.089 -5.561) 5.774 2.218 ( -3.307 3.282 3.157) 5.628 2.260 ( 1.519 1.092 2.124) 2.830 2.271 ( -0.510 2.404 10.382) 10.669 2.490 ( 3.634 -0.851 -7.577) 8.447 2.750 ( -1.005 5.188 -2.212) 5.729 2.775 ( 1.033 4.365 -3.059) 5.429 3.194 ( -9.799 -2.555 -1.847) 10.294 3.216 ( 7.054 -3.867 -3.876) 8.929 3.456 ( -2.498 -0.827 5.265) 5.886 3.484 ( -3.421 -0.951 3.332) 4.869 3.594 ( 4.463 -3.744 4.047) 7.093 3.813 ( 1.865 -5.389 -14.730) 15.795 4.270 ( 4.489 -0.636 0.820) 4.608 4.344 ( -7.157 -4.132 -7.067) 10.873 4.919 ( 0.355 6.827 2.839) 7.403 4.968 ( -0.524 3.793 -2.203) 4.418 5.970 ( 3.902 -3.276 3.715) 6.306 6.065 ( -3.020 -3.329 -5.748) 7.297 6.235 ( -0.056 -4.627 0.480) 4.652 6.263 ( 0.567 -5.839 -2.409) 6.342 8.904 ( -3.013 -5.195 7.243) 9.408 9.051 ( 2.456 -2.353 -7.417) 8.159 9.955 ( -1.950 3.346 4.891) 6.239 10.026 ( 2.867 6.899 -2.019) 7.739 10.418 ( -4.403 0.461 4.904) 6.607 10.513 ( 3.724 2.672 -4.695) 6.561 10.807 ( 0.207 7.199 9.215) 11.696 10.953 ( 0.954 6.440 -5.089) 8.264 11.929 ( -0.131 1.438 1.190) 1.871 11.950 ( -0.191 0.858 -0.956) 1.299 12.636 ( 0.158 -5.779 3.434) 6.724 12.713 ( 0.992 -4.070 -4.521) 6.164 13.438 ( 0.351 3.845 5.222) 6.495 13.543 ( -0.708 4.390 -5.372) 6.973 14.372 ( 4.654 -3.473 0.795) 5.862 14.389 ( -4.523 -4.939 -0.883) 6.755 16.879 ( -0.805 -0.308 2.063) 2.236 16.924 ( 1.274 0.050 -2.432) 2.746 17.560 ( 0.968 -0.209 0.982) 1.394 17.565 ( -1.152 0.084 0.377) 1.215 18.173 ( -2.548 -1.460 4.980) 5.781 18.261 ( 1.394 -3.617 -3.979) 5.555 23.753 ( -0.976 2.928 4.928) 5.815 23.773 ( -1.943 2.738 3.189) 4.630 25.334 ( 1.788 -1.956 4.893) 5.565 25.455 ( -1.463 -2.259 -7.006) 7.505 28.036 ( -0.879 1.112 1.957) 2.417 28.078 ( 0.994 0.309 -2.255) 2.484 28.913 ( -2.500 -0.251 3.656) 4.436 28.987 ( 2.865 -0.053 -3.888) 4.830 29.595 ( 0.816 -6.797 4.371) 8.122 29.678 ( -0.182 -5.481 -4.087) 6.840 30.896 ( 0.563 -0.560 11.240) 11.268 31.071 ( -2.535 4.797 -3.953) 6.713 31.225 ( -1.176 2.740 -1.254) 3.235 31.335 ( 2.534 1.214 -10.921) 11.277 32.506 ( -1.267 1.798 3.920) 4.495 32.572 ( 2.111 0.015 -2.695) 3.423 101.034 ( 0.568 -0.401 -0.928) 1.159 101.043 ( -0.789 -0.731 -1.692) 2.005 101.469 ( 3.852 -1.959 4.690) 6.377 101.560 ( -4.752 -0.631 -4.597) 6.641 ======================= Grid point 289 (154/165) ======================= q-point: (-0.25 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -9.106 1.965 -3.905) 10.101 1.603 ( 9.385 -6.672 1.408) 11.601 1.910 ( -6.886 -0.534 -1.186) 7.008 2.040 ( 2.366 3.000 1.220) 4.010 2.081 ( -6.882 4.480 2.305) 8.529 2.307 ( 9.493 1.713 0.961) 9.694 2.324 ( 0.060 -0.188 9.815) 9.817 2.430 ( 2.040 4.849 -9.985) 11.286 2.676 ( -1.274 0.998 -0.456) 1.681 2.724 ( 1.540 1.030 -1.841) 2.612 3.150 ( -8.447 -4.683 2.950) 10.099 3.305 ( 3.165 -1.720 -2.552) 4.415 3.463 ( -1.378 0.017 3.448) 3.713 3.487 ( -0.402 -1.244 0.407) 1.369 3.719 ( -2.857 -4.974 1.287) 5.879 3.843 ( 4.303 -3.395 -6.123) 8.218 4.259 ( -5.541 -0.002 -1.849) 5.841 4.355 ( 3.875 1.443 1.804) 4.512 4.882 ( 1.585 1.433 5.792) 6.174 4.921 ( 0.627 -2.124 -5.858) 6.263 6.023 ( -3.261 -2.079 0.012) 3.867 6.095 ( 2.214 -2.776 -0.890) 3.660 6.327 ( 0.404 -5.194 1.129) 5.331 6.394 ( 4.446 -7.378 -2.587) 8.994 9.003 ( -2.116 -5.658 5.030) 7.860 9.075 ( 1.476 -1.592 -3.464) 4.088 9.873 ( -2.671 5.245 0.611) 5.918 9.921 ( 0.958 6.811 -0.737) 6.918 10.400 ( -3.230 -0.714 2.851) 4.367 10.488 ( 2.405 2.121 -3.230) 4.551 10.742 ( 0.035 6.165 8.386) 10.409 10.815 ( 0.474 6.542 -6.831) 9.470 11.909 ( -1.020 1.363 0.397) 1.748 11.931 ( 0.886 0.936 0.171) 1.301 12.716 ( -2.021 -2.625 -1.353) 3.579 12.765 ( 2.250 -3.347 -0.916) 4.136 13.415 ( -1.889 4.796 -3.087) 6.008 13.440 ( 2.815 2.288 3.402) 4.973 14.395 ( -5.614 -4.264 -2.166) 7.375 14.499 ( 5.560 -2.963 2.081) 6.635 16.889 ( -0.236 -0.411 1.313) 1.396 16.919 ( 0.976 0.314 -2.302) 2.520 17.547 ( -1.309 0.308 0.482) 1.428 17.581 ( 1.846 0.362 0.584) 1.970 18.201 ( -3.746 -1.931 6.386) 7.651 18.314 ( 2.143 -3.279 -5.116) 6.443 23.681 ( -4.361 3.740 4.087) 7.051 23.761 ( 1.216 1.539 2.503) 3.180 25.385 ( -1.138 -0.885 4.398) 4.629 25.489 ( 3.717 -4.143 -5.903) 8.114 28.019 ( -1.511 0.808 2.161) 2.758 28.074 ( 1.649 0.223 -2.485) 2.991 28.913 ( -2.212 -0.495 3.077) 3.822 28.997 ( 2.977 0.053 -3.512) 4.604 29.688 ( -2.811 -2.943 0.176) 4.073 29.752 ( 2.327 -4.118 -1.134) 4.864 30.915 ( -5.364 1.783 4.797) 7.414 31.027 ( 3.688 -1.135 0.575) 3.901 31.168 ( -2.188 2.351 3.223) 4.550 31.304 ( 4.560 -0.543 -10.980) 11.901 32.414 ( -10.013 1.471 0.727) 10.146 32.629 ( 9.420 1.611 0.318) 9.562 101.039 ( -0.305 -0.654 -0.553) 0.909 101.054 ( 1.199 -0.760 -0.297) 1.450 101.502 ( -5.064 -1.755 -2.095) 5.754 101.580 ( 3.841 -3.137 2.836) 5.713 ======================= Grid point 290 (155/165) ======================= q-point: (-0.12 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -10.038 -3.102 -1.109) 10.565 1.745 ( -2.983 0.083 -7.848) 8.396 1.874 ( -4.266 -5.695 1.885) 7.361 1.925 ( 1.918 3.473 2.748) 4.826 2.073 ( 3.810 3.276 3.678) 6.227 2.263 ( -1.061 7.400 -4.054) 8.504 2.352 ( 0.793 0.798 0.123) 1.132 2.439 ( 12.677 0.502 -0.867) 12.716 2.714 ( 2.787 -4.659 -0.701) 5.474 2.744 ( 2.034 -0.959 1.304) 2.600 3.185 ( -5.782 -4.661 3.488) 8.205 3.298 ( -3.345 -0.412 -4.819) 5.880 3.471 ( -1.006 -0.073 3.343) 3.492 3.530 ( 3.302 -1.640 0.579) 3.732 3.653 ( -5.979 4.197 -3.697) 8.187 3.941 ( 5.931 0.054 2.567) 6.463 4.220 ( -3.313 -3.114 0.335) 4.559 4.359 ( 2.216 0.230 -1.605) 2.746 4.954 ( 0.161 -4.800 5.318) 7.165 4.984 ( 2.207 -5.710 -5.635) 8.320 6.023 ( -3.229 -2.709 -1.251) 4.397 6.148 ( 0.465 -1.836 1.151) 2.216 6.414 ( 0.004 -4.065 1.389) 4.296 6.516 ( 2.277 -4.388 -3.426) 6.015 9.067 ( -0.677 -0.326 -0.217) 0.782 9.097 ( 0.202 -1.297 2.590) 2.903 9.762 ( -1.889 4.217 -0.563) 4.655 9.838 ( 0.677 3.385 -0.978) 3.588 10.406 ( -1.935 -1.762 2.084) 3.345 10.452 ( 0.177 1.345 -3.195) 3.471 10.693 ( -0.489 5.010 -1.225) 5.181 10.729 ( 1.693 1.303 4.324) 4.823 11.880 ( -1.037 0.516 0.077) 1.161 11.938 ( 1.331 0.297 0.782) 1.573 12.682 ( -2.179 2.475 -1.231) 3.520 12.821 ( 2.770 0.169 -0.750) 2.874 13.311 ( -2.368 1.753 -3.145) 4.310 13.483 ( 4.436 0.161 3.192) 5.467 14.382 ( -5.005 -2.859 -2.933) 6.468 14.591 ( 3.472 -0.283 2.854) 4.504 16.893 ( 0.005 0.282 -0.541) 0.610 16.917 ( 0.896 -0.113 -0.818) 1.219 17.537 ( -0.369 0.339 0.922) 1.049 17.591 ( 1.725 1.282 0.498) 2.206 18.220 ( -4.608 -1.436 6.137) 7.807 18.346 ( 1.636 -1.852 -5.556) 6.081 23.610 ( -4.027 2.117 4.604) 6.473 23.768 ( 0.809 0.395 1.727) 1.947 25.396 ( -2.422 0.476 4.561) 5.186 25.574 ( 4.259 -4.606 -5.598) 8.407 28.005 ( -1.506 0.204 1.862) 2.403 28.078 ( 1.763 -0.112 -2.245) 2.857 28.915 ( -1.764 -0.537 1.969) 2.698 29.010 ( 2.457 0.093 -2.143) 3.262 29.655 ( -3.147 2.385 -0.551) 3.987 29.801 ( 2.388 1.037 -0.895) 2.753 30.857 ( -6.597 0.600 4.860) 8.216 31.065 ( 0.114 -0.533 -1.402) 1.504 31.194 ( 2.236 -3.747 3.281) 5.460 31.331 ( 6.285 -3.264 -10.825) 12.936 32.283 ( -8.849 1.786 -0.595) 9.047 32.706 ( 7.414 1.695 3.468) 8.358 101.046 ( -0.014 -0.808 -0.630) 1.025 101.080 ( 1.608 -0.399 0.490) 1.728 101.471 ( -5.567 -2.320 -1.229) 6.155 101.687 ( 2.993 -4.009 0.757) 5.060 ======================= Grid point 295 (156/165) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -2.277 0.000 4.752) 5.269 1.629 ( -0.554 0.000 -7.841) 7.861 1.937 ( -12.167 0.000 3.483) 12.656 2.043 ( 7.776 -0.000 -6.912) 10.404 2.273 ( -2.776 0.000 5.157) 5.856 2.283 ( -3.946 0.000 1.713) 4.302 2.379 ( 4.234 -0.000 0.116) 4.235 2.402 ( 6.304 -0.000 2.591) 6.815 2.929 ( -1.200 0.000 -0.873) 1.484 2.944 ( 3.521 -0.000 -2.705) 4.441 3.060 ( 4.118 -0.000 -4.067) 5.788 3.071 ( -7.865 0.000 -3.636) 8.665 3.428 ( -8.094 0.000 11.135) 13.766 3.485 ( -1.445 0.000 2.317) 2.731 3.537 ( 4.203 -0.000 -0.878) 4.294 3.703 ( 3.360 -0.000 -14.104) 14.499 4.217 ( -10.307 0.000 -4.966) 11.441 4.269 ( 6.754 -0.000 -9.539) 11.688 5.046 ( -2.024 0.000 4.269) 4.725 5.099 ( 1.077 -0.000 -0.849) 1.371 5.887 ( 5.732 -0.000 2.782) 6.372 5.982 ( -3.238 0.000 -7.078) 7.783 6.162 ( -0.635 0.000 -0.153) 0.653 6.175 ( 0.220 -0.000 -1.357) 1.375 8.813 ( -3.666 0.000 9.118) 9.828 9.005 ( 3.522 -0.000 -10.180) 10.772 10.008 ( -2.321 0.000 8.064) 8.391 10.143 ( 3.536 -0.000 -5.227) 6.311 10.448 ( -4.502 0.000 6.830) 8.180 10.569 ( 3.490 -0.000 -5.546) 6.553 10.949 ( 0.604 -0.000 9.067) 9.087 11.076 ( 1.585 -0.000 -3.508) 3.850 11.957 ( -0.606 0.000 0.123) 0.618 11.961 ( 0.466 -0.000 -0.268) 0.538 12.519 ( -1.251 0.000 5.451) 5.593 12.621 ( 2.009 -0.000 -5.103) 5.484 13.518 ( -3.514 0.000 5.300) 6.359 13.629 ( 2.946 -0.000 -5.869) 6.567 14.281 ( -4.233 0.000 1.105) 4.375 14.307 ( 4.286 -0.000 -1.496) 4.540 16.873 ( -1.435 0.000 2.588) 2.959 16.924 ( 1.694 -0.000 -2.550) 3.061 17.555 ( 0.875 -0.000 1.450) 1.693 17.563 ( -0.500 0.000 0.339) 0.604 18.161 ( 0.517 -0.000 1.235) 1.339 18.178 ( -2.302 0.000 -0.646) 2.391 23.807 ( -0.558 0.000 5.318) 5.348 23.832 ( -2.050 0.000 3.412) 3.980 25.301 ( 5.077 -0.000 4.650) 6.885 25.416 ( -5.171 0.000 -6.376) 8.209 28.064 ( -0.863 0.000 0.593) 1.047 28.079 ( 0.940 -0.000 -0.834) 1.257 28.910 ( -2.769 0.000 3.860) 4.750 28.986 ( 3.197 -0.000 -3.842) 4.998 29.454 ( 0.197 -0.000 5.592) 5.595 29.560 ( 0.058 -0.000 -5.239) 5.239 30.891 ( 0.580 -0.000 13.858) 13.870 31.192 ( -1.986 0.000 -16.377) 16.497 31.251 ( -1.156 0.000 4.860) 4.996 31.373 ( 0.655 -0.000 -7.861) 7.888 32.535 ( -8.165 0.000 2.244) 8.467 32.570 ( 10.527 -0.000 -1.418) 10.622 101.027 ( 0.404 -0.000 -1.695) 1.742 101.029 ( -0.854 0.000 -1.605) 1.818 101.439 ( 3.857 -0.000 5.690) 6.874 101.553 ( -5.131 0.000 -5.992) 7.889 ======================= Grid point 296 (157/165) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.736 1.455 7.600) 7.773 1.562 ( 0.353 3.209 -6.221) 7.009 1.859 ( -9.726 -1.649 5.881) 11.485 2.097 ( 8.346 0.387 -3.106) 8.913 2.214 ( -6.236 3.372 1.297) 7.207 2.281 ( -2.321 -0.992 5.431) 5.989 2.390 ( 3.959 2.172 1.291) 4.696 2.481 ( 5.924 -0.725 -7.174) 9.332 2.819 ( -4.154 5.372 -1.449) 6.943 2.850 ( -1.251 7.267 -1.415) 7.508 3.019 ( -9.635 -3.976 0.658) 10.444 3.196 ( 5.793 -6.786 -0.066) 8.923 3.407 ( -7.673 -2.215 7.995) 11.300 3.467 ( -4.538 -0.090 3.069) 5.479 3.599 ( 3.385 -0.850 0.134) 3.493 3.680 ( 1.311 -3.839 -11.339) 12.043 4.151 ( -5.795 -3.454 0.158) 6.748 4.328 ( 7.475 -2.292 -1.844) 8.033 5.007 ( -1.991 4.774 3.321) 6.147 5.062 ( 1.424 4.683 -1.303) 5.065 5.944 ( -1.335 -2.529 -6.834) 7.408 6.004 ( 7.303 -2.364 3.206) 8.319 6.192 ( 2.397 -2.883 0.093) 3.750 6.206 ( 3.310 -2.355 -0.697) 4.122 8.850 ( -3.572 -2.740 9.204) 10.246 9.000 ( 3.385 -1.766 -9.297) 10.050 9.997 ( -4.304 2.036 5.930) 7.605 10.110 ( 1.332 3.119 -6.104) 6.983 10.423 ( -4.488 1.790 6.925) 8.444 10.561 ( 3.601 1.704 -5.308) 6.636 10.956 ( 0.030 4.855 6.459) 8.080 11.026 ( 1.171 4.441 -6.392) 7.871 11.949 ( -0.303 0.497 0.650) 0.873 11.959 ( 0.255 0.641 -0.440) 0.818 12.562 ( -2.167 -3.910 4.120) 6.079 12.636 ( 1.269 -3.288 -5.197) 6.279 13.502 ( -2.226 1.186 5.933) 6.447 13.592 ( 1.832 4.164 -5.564) 7.187 14.268 ( -4.038 -2.592 0.665) 4.844 14.378 ( 5.465 -3.261 -0.831) 6.418 16.874 ( -1.238 -0.345 2.324) 2.656 16.926 ( 1.431 0.081 -2.729) 3.083 17.553 ( -1.071 0.225 -0.062) 1.096 17.575 ( 1.161 -0.492 0.482) 1.349 18.157 ( -1.692 -0.356 2.892) 3.369 18.205 ( 1.239 -2.700 -0.780) 3.071 23.806 ( -1.377 2.685 3.086) 4.316 23.817 ( -0.818 1.394 3.507) 3.861 25.352 ( -1.250 -1.399 -5.046) 5.383 25.398 ( 5.288 -0.835 4.320) 6.879 28.052 ( -0.926 0.818 1.078) 1.640 28.082 ( 0.892 0.181 -1.281) 1.571 28.904 ( -2.353 -0.086 3.660) 4.352 28.999 ( 3.290 -0.015 -4.150) 5.296 29.523 ( -0.716 -4.525 4.345) 6.314 29.565 ( -0.393 -4.521 -4.601) 6.463 30.972 ( -0.139 0.684 14.062) 14.079 31.062 ( -1.818 2.176 -11.917) 12.250 31.262 ( -0.129 1.556 4.174) 4.457 31.326 ( 1.131 1.633 -7.021) 7.297 32.449 ( -8.939 0.523 0.759) 8.986 32.661 ( 9.416 0.373 -2.370) 9.717 101.021 ( -0.219 -0.375 -0.809) 0.918 101.032 ( 1.082 -0.443 -0.024) 1.169 101.470 ( -4.953 -0.389 -4.740) 6.867 101.520 ( 3.715 -0.762 5.952) 7.057 ======================= Grid point 297 (158/165) ======================= q-point: (-0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.846 8.433 -4.976) 9.829 1.586 ( 0.021 -3.827 6.904) 7.894 1.827 ( -7.606 -0.963 3.808) 8.561 2.063 ( -6.479 5.121 1.476) 8.390 2.165 ( 6.351 1.398 0.010) 6.503 2.317 ( -1.740 -2.495 2.074) 3.681 2.420 ( 5.333 0.655 0.707) 5.420 2.481 ( 6.292 2.165 -9.178) 11.336 2.705 ( -2.827 4.592 0.925) 5.472 2.740 ( -1.699 1.288 1.043) 2.373 2.998 ( -9.484 -4.343 6.146) 12.107 3.313 ( 0.157 0.277 0.284) 0.427 3.431 ( -4.076 -5.936 4.591) 8.540 3.447 ( -3.795 -2.316 1.931) 4.848 3.595 ( -1.163 -1.862 -7.849) 8.151 3.778 ( 3.084 -6.773 0.917) 7.499 4.170 ( -1.303 -2.304 1.049) 2.847 4.450 ( 4.995 -0.529 5.947) 7.784 4.915 ( -0.403 4.133 -0.748) 4.219 4.992 ( 2.250 5.113 1.074) 5.688 5.942 ( -1.020 -2.465 -4.625) 5.340 6.102 ( 3.663 -0.539 2.314) 4.367 6.295 ( 4.463 -3.357 0.996) 5.673 6.326 ( 6.353 -6.193 -0.988) 8.927 8.921 ( -3.361 -4.720 7.191) 9.236 9.033 ( 3.230 -3.116 -6.021) 7.510 9.918 ( -5.021 4.163 2.332) 6.926 10.013 ( -0.391 5.233 -4.671) 7.025 10.383 ( -4.275 1.247 5.431) 7.023 10.536 ( 2.965 2.506 -4.127) 5.666 10.864 ( -0.778 6.794 -2.476) 7.273 10.918 ( 0.974 6.820 -0.422) 6.902 11.930 ( -0.425 1.924 0.182) 1.979 11.952 ( 0.467 0.308 0.315) 0.642 12.624 ( -2.273 -4.724 -0.533) 5.270 12.698 ( 0.628 -5.478 -1.772) 5.791 13.478 ( 0.173 6.921 -4.919) 8.493 13.512 ( 0.471 0.459 5.370) 5.410 14.274 ( -3.619 -2.946 -0.166) 4.670 14.503 ( 5.366 -4.508 0.103) 7.009 16.884 ( -0.549 -0.646 1.559) 1.775 16.921 ( 0.987 0.226 -2.580) 2.771 17.539 ( -1.010 0.012 0.209) 1.032 17.600 ( 1.378 -0.679 -0.265) 1.559 18.171 ( -2.348 -1.136 4.549) 5.244 18.262 ( 1.832 -2.875 -1.965) 3.935 23.737 ( -1.392 5.002 1.504) 5.406 23.802 ( -1.552 1.332 3.636) 4.171 25.370 ( 2.778 -3.067 -5.426) 6.824 25.482 ( 3.929 0.110 4.736) 6.155 28.031 ( -1.062 1.126 1.269) 2.001 28.081 ( 1.034 0.225 -1.489) 1.827 28.903 ( -1.779 -0.171 3.028) 3.516 29.011 ( 3.170 -0.041 -3.761) 4.919 29.583 ( -2.576 -5.041 -2.278) 6.102 29.668 ( 0.601 -7.410 0.804) 7.478 30.918 ( -3.583 3.123 -3.334) 5.806 31.068 ( 1.988 -0.333 7.581) 7.844 31.228 ( -0.575 4.279 2.400) 4.940 31.289 ( 2.013 0.643 -4.533) 5.001 32.339 ( -8.687 1.287 -0.473) 8.795 32.738 ( 8.161 0.265 -1.393) 8.284 101.024 ( 0.032 -0.490 -0.241) 0.547 101.063 ( 2.175 -0.618 1.249) 2.583 101.411 ( -4.306 -1.271 -3.174) 5.498 101.605 ( 3.004 -1.194 5.300) 6.208 ======================= Grid point 298 (159/165) ======================= q-point: (-0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -1.116 7.412 -3.733) 8.374 1.672 ( -3.030 -1.808 -0.330) 3.544 1.739 ( -11.296 -2.388 5.890) 12.961 2.011 ( 2.970 0.683 3.775) 4.852 2.180 ( 4.178 3.419 -0.914) 5.476 2.320 ( 1.028 -1.057 -7.313) 7.460 2.376 ( -0.827 7.186 -3.970) 8.251 2.504 ( 4.550 -1.197 -2.041) 5.128 2.720 ( 4.393 -1.365 3.214) 5.612 2.756 ( 1.351 -2.219 5.119) 5.740 3.051 ( -6.612 -7.564 8.677) 13.275 3.228 ( -6.904 0.927 -5.050) 8.604 3.463 ( -1.766 -1.641 1.688) 2.943 3.529 ( 1.482 -2.021 1.748) 3.055 3.581 ( -2.029 -3.335 -3.869) 5.497 3.928 ( 1.193 -7.025 3.957) 8.151 4.180 ( -0.208 1.172 0.338) 1.237 4.454 ( 0.778 6.410 4.078) 7.637 4.900 ( 2.910 -1.740 -4.409) 5.562 4.987 ( 2.493 0.743 4.761) 5.425 5.953 ( -0.748 -2.213 -1.519) 2.786 6.143 ( 1.778 -0.093 0.975) 2.030 6.394 ( 3.626 -2.134 1.750) 4.557 6.462 ( 3.716 -3.919 -2.247) 5.850 9.006 ( -1.896 -5.139 3.621) 6.567 9.088 ( 1.654 -2.305 -1.185) 3.074 9.801 ( -3.496 4.368 -0.636) 5.630 9.900 ( -0.839 4.741 -2.362) 5.363 10.363 ( -3.143 -0.921 3.024) 4.457 10.487 ( 0.631 3.671 -2.334) 4.396 10.742 ( 0.721 4.318 -6.508) 7.844 10.833 ( 0.240 5.301 4.520) 6.971 11.891 ( -0.536 1.908 0.040) 1.982 11.957 ( 0.620 0.132 0.514) 0.816 12.654 ( -0.898 -2.272 -2.704) 3.645 12.792 ( 0.138 -5.315 0.273) 5.324 13.339 ( -0.604 6.059 -3.858) 7.209 13.545 ( 1.472 0.209 3.542) 3.841 14.283 ( -2.446 -2.322 -0.665) 3.438 14.616 ( 3.521 -2.651 0.647) 4.455 16.893 ( 0.146 -0.024 -0.481) 0.503 16.917 ( 0.514 -0.259 -0.930) 1.094 17.538 ( -0.441 -0.376 0.922) 1.089 17.617 ( 0.923 -0.127 -0.580) 1.097 18.187 ( -3.137 -0.983 5.293) 6.231 18.307 ( 1.913 -1.919 -3.121) 4.133 23.649 ( -1.517 4.389 1.709) 4.948 23.785 ( -2.265 0.594 3.547) 4.250 25.422 ( 3.757 -0.517 -2.308) 4.440 25.533 ( 1.964 -1.173 0.914) 2.463 28.010 ( -0.949 0.909 1.320) 1.862 28.081 ( 1.035 -0.008 -1.618) 1.921 28.904 ( -1.162 -0.150 2.017) 2.332 29.025 ( 2.482 -0.005 -2.570) 3.573 29.613 ( -2.215 -3.036 -1.966) 4.241 29.779 ( 0.314 -4.828 -0.264) 4.845 30.838 ( -3.156 1.376 1.145) 3.628 31.092 ( 1.362 3.193 -1.538) 3.797 31.203 ( 0.513 -0.295 6.412) 6.439 31.287 ( 2.125 -1.011 -4.997) 5.524 32.231 ( -6.073 1.433 -0.482) 6.259 32.805 ( 5.387 0.499 0.454) 5.429 101.033 ( 0.165 -0.558 -0.158) 0.603 101.102 ( 2.408 -0.031 1.178) 2.681 101.384 ( -3.076 -1.626 -1.439) 3.766 101.677 ( 1.656 -1.555 3.328) 4.029 ======================= Grid point 304 (160/165) ======================= q-point: (-0.38 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -2.902 0.000 11.413) 11.776 1.592 ( 3.805 -0.000 -3.352) 5.071 1.789 ( -8.777 0.000 9.260) 12.759 2.184 ( 8.659 -0.000 1.257) 8.750 2.189 ( -5.989 0.000 -0.629) 6.022 2.252 ( -4.860 0.000 2.184) 5.328 2.418 ( 2.400 -0.000 -4.870) 5.430 2.510 ( 7.393 -0.000 -9.632) 12.142 2.796 ( -13.161 0.000 5.194) 14.149 2.826 ( -6.079 0.000 0.075) 6.079 3.003 ( 1.254 -0.000 1.498) 1.954 3.147 ( 2.221 -0.000 0.953) 2.417 3.341 ( -8.088 0.000 7.340) 10.923 3.401 ( -8.519 0.000 -0.273) 8.524 3.569 ( -3.177 0.000 -6.639) 7.360 3.663 ( 4.415 -0.000 3.117) 5.404 4.138 ( 3.269 -0.000 7.025) 7.748 4.380 ( 6.908 -0.000 3.040) 7.547 5.049 ( -2.169 0.000 2.873) 3.600 5.105 ( 1.303 -0.000 -1.551) 2.026 5.889 ( 1.680 -0.000 -6.926) 7.127 6.094 ( 9.606 -0.000 2.210) 9.857 6.214 ( 4.680 -0.000 0.969) 4.780 6.227 ( 5.295 -0.000 0.312) 5.304 8.841 ( -4.067 0.000 9.754) 10.568 8.970 ( 3.937 -0.000 -9.383) 10.175 9.989 ( -6.416 0.000 5.194) 8.255 10.094 ( -0.612 0.000 -8.211) 8.233 10.436 ( -4.105 0.000 6.791) 7.935 10.583 ( 3.399 -0.000 -5.098) 6.128 11.026 ( -0.106 0.000 3.531) 3.533 11.029 ( 0.532 -0.000 -8.871) 8.887 11.947 ( -0.669 0.000 0.192) 0.696 11.970 ( 0.532 -0.000 -0.041) 0.534 12.525 ( -3.334 0.000 4.256) 5.406 12.584 ( 0.535 -0.000 -5.902) 5.926 13.508 ( -3.543 0.000 6.589) 7.481 13.627 ( 2.721 -0.000 -5.278) 5.938 14.227 ( -1.777 0.000 1.860) 2.573 14.394 ( 4.948 -0.000 -1.819) 5.272 16.870 ( -1.244 0.000 2.321) 2.633 16.925 ( 1.165 -0.000 -2.946) 3.168 17.545 ( -0.834 0.000 -0.514) 0.980 17.574 ( 0.091 -0.000 -0.717) 0.723 18.157 ( 0.334 -0.000 1.176) 1.223 18.203 ( 1.163 -0.000 2.531) 2.786 23.825 ( -3.369 0.000 4.629) 5.725 23.846 ( 2.167 -0.000 -0.749) 2.293 25.298 ( 1.522 -0.000 -6.572) 6.746 25.500 ( 6.649 -0.000 6.969) 9.632 28.055 ( -0.662 0.000 0.624) 0.910 28.086 ( 0.500 -0.000 -0.767) 0.916 28.901 ( -1.784 0.000 3.411) 3.849 29.009 ( 3.111 -0.000 -4.310) 5.316 29.484 ( -1.266 0.000 -5.438) 5.583 29.503 ( -1.294 0.000 4.866) 5.035 30.979 ( -1.777 0.000 -13.719) 13.833 31.066 ( -0.752 0.000 17.118) 17.134 31.309 ( 0.355 -0.000 6.493) 6.503 31.324 ( 1.632 -0.000 -4.935) 5.198 32.359 ( -8.781 0.000 -0.808) 8.819 32.737 ( 7.963 -0.000 -4.133) 8.972 101.017 ( 0.226 -0.000 0.109) 0.251 101.049 ( 2.328 -0.000 1.669) 2.865 101.391 ( -4.217 0.000 -4.059) 5.853 101.589 ( 3.174 -0.000 7.036) 7.719 ======================= Grid point 305 (161/165) ======================= q-point: (-0.25 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.906 5.643 3.486) 6.694 1.591 ( -0.026 1.825 6.841) 7.081 1.756 ( -9.636 -0.254 7.027) 11.928 2.075 ( -5.106 3.089 -1.569) 6.171 2.220 ( -2.158 -1.690 -1.717) 3.234 2.278 ( 2.605 0.674 3.680) 4.559 2.442 ( 3.096 -3.219 -1.796) 4.815 2.518 ( 6.945 0.622 -11.327) 13.301 2.710 ( -8.891 1.808 2.834) 9.505 2.748 ( -3.130 0.337 5.228) 6.103 2.956 ( -2.738 4.354 5.838) 7.780 3.229 ( -9.671 -6.559 -3.199) 12.115 3.309 ( -1.324 -1.675 3.585) 4.173 3.354 ( -5.212 -4.769 3.483) 7.876 3.538 ( -1.817 -1.684 -1.275) 2.786 3.742 ( 3.213 -2.661 2.993) 5.135 4.230 ( 6.939 2.064 8.557) 11.208 4.513 ( 5.415 -2.403 8.581) 10.427 4.992 ( -1.239 4.804 0.566) 4.994 5.087 ( 2.077 3.172 0.009) 3.792 5.889 ( 2.031 -1.327 -4.698) 5.287 6.185 ( 6.740 2.031 1.554) 7.209 6.297 ( 6.548 -2.966 0.664) 7.219 6.336 ( 7.537 -3.079 1.177) 8.226 8.866 ( -4.381 -2.306 8.336) 9.695 8.987 ( 4.250 -2.511 -7.404) 8.899 9.920 ( -7.213 2.139 3.130) 8.149 10.021 ( -1.544 1.703 -7.938) 8.264 10.406 ( -4.247 2.398 6.296) 7.964 10.578 ( 2.940 1.490 -4.228) 5.361 10.927 ( -0.399 5.396 -9.016) 10.515 11.007 ( -0.499 3.452 0.221) 3.495 11.945 ( -0.772 -0.570 0.274) 0.998 11.963 ( 0.377 1.391 -0.183) 1.453 12.530 ( -3.312 -3.001 1.425) 4.691 12.597 ( -0.302 -4.692 -3.921) 6.122 13.521 ( -2.572 -1.135 6.128) 6.742 13.575 ( 2.101 5.906 -4.817) 7.905 14.233 ( -0.311 -0.516 2.044) 2.131 14.473 ( 4.407 -4.513 -1.897) 6.587 16.876 ( -0.724 -0.571 1.885) 2.099 16.918 ( 0.759 0.096 -2.841) 2.942 17.530 ( -0.885 0.183 -0.255) 0.939 17.580 ( -0.329 -1.591 -1.518) 2.223 18.174 ( 0.701 0.187 2.477) 2.581 18.244 ( 1.545 -1.540 1.617) 2.715 23.796 ( -4.652 1.330 4.288) 6.465 23.834 ( 2.891 3.616 -2.559) 5.290 25.323 ( 5.619 -2.863 -6.953) 9.386 25.589 ( 4.823 1.951 6.768) 8.537 28.045 ( -0.473 0.822 0.585) 1.114 28.085 ( 0.299 0.118 -0.713) 0.783 28.903 ( -1.147 0.032 2.910) 3.128 29.019 ( 2.863 -0.269 -4.091) 5.001 29.469 ( -1.705 -3.410 -4.076) 5.581 29.560 ( -1.485 -5.711 2.737) 6.504 30.888 ( -0.799 0.927 -9.481) 9.559 31.142 ( -1.719 0.817 15.723) 15.838 31.297 ( 1.560 2.882 -2.042) 3.862 31.332 ( 0.817 2.206 4.899) 5.435 32.259 ( -7.507 0.316 -1.829) 7.733 32.794 ( 6.287 -0.742 -4.417) 7.719 101.023 ( 0.318 -0.086 0.555) 0.646 101.098 ( 3.763 -0.166 2.411) 4.472 101.343 ( -2.156 -0.689 -2.073) 3.070 101.659 ( 2.111 -0.018 6.964) 7.277 ======================= Grid point 306 (162/165) ======================= q-point: (-0.12 -0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.526 12.473 0.501) 13.278 1.626 ( -6.845 -2.351 12.203) 14.188 1.641 ( -7.115 2.026 0.465) 7.412 2.036 ( -0.111 -1.350 -0.378) 1.407 2.222 ( -0.346 -2.459 -6.729) 7.172 2.261 ( -1.436 2.154 0.492) 2.635 2.454 ( 0.152 5.662 -10.205) 11.672 2.504 ( -0.306 -1.565 0.645) 1.720 2.746 ( 4.048 -5.822 5.177) 8.780 2.765 ( 0.168 0.166 6.008) 6.012 2.942 ( -4.198 -3.288 11.659) 12.820 3.119 ( -8.596 0.123 -5.035) 9.962 3.406 ( -1.247 -3.630 1.312) 4.056 3.435 ( -1.432 -8.795 2.618) 9.287 3.547 ( -0.717 -0.892 0.923) 1.470 3.841 ( -0.051 -5.057 2.461) 5.624 4.281 ( 5.172 5.713 5.511) 9.474 4.575 ( -1.059 4.271 7.411) 8.619 4.933 ( 4.211 2.850 -2.156) 5.523 5.073 ( 3.031 2.764 3.696) 5.521 5.920 ( 1.940 -1.745 -0.848) 2.743 6.208 ( 4.800 2.887 0.653) 5.639 6.420 ( 5.702 -2.379 1.371) 6.329 6.455 ( 5.257 -1.794 -0.373) 5.567 8.922 ( -3.475 -4.829 6.282) 8.652 9.048 ( 3.362 -3.560 -4.656) 6.757 9.815 ( -5.706 3.096 1.088) 6.583 9.928 ( -1.416 2.729 -5.699) 6.475 10.357 ( -3.622 1.788 5.198) 6.583 10.545 ( 1.357 3.424 -2.507) 4.456 10.782 ( 0.099 5.062 -8.340) 9.757 10.925 ( -1.241 4.831 -0.079) 4.989 11.926 ( -0.227 2.487 0.308) 2.517 11.955 ( -0.394 -0.701 -0.368) 0.884 12.570 ( -0.836 -4.853 -2.200) 5.394 12.674 ( -1.652 -7.288 -0.739) 7.510 13.441 ( 1.102 8.292 -4.062) 9.299 13.550 ( -2.115 -1.076 3.836) 4.510 14.260 ( 1.347 -0.667 1.995) 2.498 14.585 ( 2.902 -4.854 -1.719) 5.911 16.889 ( -0.065 -0.420 0.175) 0.460 16.910 ( 0.363 -0.253 -1.421) 1.488 17.526 ( -0.802 -0.688 0.560) 1.196 17.594 ( -0.719 -1.808 -1.780) 2.637 18.189 ( -0.554 0.354 4.361) 4.410 18.295 ( 2.633 -1.453 -0.624) 3.071 23.727 ( -1.688 4.480 0.776) 4.850 23.786 ( -1.705 1.995 1.439) 2.993 25.412 ( 7.968 -3.473 -7.951) 11.780 25.605 ( 0.695 4.027 6.063) 7.311 28.027 ( -0.278 1.183 0.676) 1.390 28.081 ( 0.198 0.057 -0.866) 0.890 28.907 ( -0.563 0.153 2.110) 2.189 29.032 ( 2.261 -0.317 -3.242) 3.965 29.507 ( -1.075 -5.327 -2.885) 6.153 29.666 ( -1.590 -7.569 0.526) 7.752 30.839 ( 1.145 0.743 -3.477) 3.736 31.159 ( -0.653 3.177 4.271) 5.363 31.260 ( -0.274 2.617 5.589) 6.178 31.313 ( 0.380 3.204 2.522) 4.095 32.184 ( -3.879 -0.058 -1.278) 4.084 32.839 ( 3.182 -0.854 -3.499) 4.806 101.031 ( 0.282 -0.126 0.568) 0.647 101.138 ( 2.120 0.522 0.210) 2.193 101.353 ( 2.271 -0.672 1.048) 2.590 101.706 ( 0.544 0.376 5.652) 5.690 ======================= Grid point 313 (163/165) ======================= q-point: (-0.25 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -6.445 0.000 15.250) 16.556 1.673 ( 1.483 -0.000 -4.220) 4.473 1.704 ( -7.543 0.000 11.380) 13.653 2.025 ( -4.986 0.000 -5.284) 7.265 2.129 ( -3.825 0.000 -1.623) 4.155 2.376 ( -1.844 0.000 9.458) 9.636 2.383 ( 0.300 -0.000 -4.520) 4.530 2.519 ( 5.324 -0.000 -13.087) 14.128 2.668 ( -3.970 0.000 -3.763) 5.470 2.744 ( -3.188 0.000 15.765) 16.084 3.037 ( -1.705 0.000 3.912) 4.267 3.053 ( -5.194 0.000 -5.622) 7.654 3.270 ( -4.256 0.000 4.451) 6.159 3.303 ( -0.745 0.000 5.835) 5.883 3.504 ( -2.132 0.000 2.025) 2.940 3.771 ( 2.259 -0.000 2.947) 3.713 4.408 ( 9.342 -0.000 10.187) 13.822 4.604 ( 3.873 -0.000 11.312) 11.957 5.021 ( 0.125 -0.000 -0.987) 0.995 5.140 ( 2.558 -0.000 1.627) 3.031 5.889 ( 3.191 -0.000 -1.532) 3.540 6.287 ( 6.616 -0.000 -0.454) 6.631 6.363 ( 7.929 -0.000 0.697) 7.959 6.393 ( 7.732 -0.000 2.935) 8.271 8.842 ( -5.376 0.000 8.194) 9.800 8.972 ( 4.927 -0.000 -7.591) 9.049 9.870 ( -8.174 0.000 2.778) 8.633 9.967 ( -1.865 0.000 -8.185) 8.395 10.417 ( -4.083 0.000 5.792) 7.087 10.597 ( 2.599 -0.000 -3.832) 4.630 10.911 ( -0.433 0.000 -11.799) 11.807 11.020 ( -1.648 0.000 -1.475) 2.212 11.923 ( -1.677 0.000 -0.061) 1.679 11.980 ( 0.308 -0.000 0.058) 0.314 12.480 ( -4.814 0.000 3.861) 6.171 12.520 ( 0.323 -0.000 -6.692) 6.699 13.515 ( -3.035 0.000 7.154) 7.771 13.628 ( 2.647 -0.000 -4.707) 5.400 14.253 ( 1.301 -0.000 2.950) 3.224 14.457 ( 3.345 -0.000 -3.219) 4.642 16.875 ( -0.574 0.000 1.965) 2.047 16.909 ( 0.561 -0.000 -2.763) 2.820 17.522 ( -0.657 0.000 -0.620) 0.903 17.543 ( -1.373 0.000 -1.533) 2.058 18.210 ( 3.377 -0.000 0.190) 3.383 18.256 ( 0.181 -0.000 3.850) 3.854 23.766 ( -7.317 0.000 5.999) 9.462 23.892 ( 6.154 -0.000 -8.372) 10.390 25.337 ( 8.526 -0.000 -6.500) 10.721 25.688 ( 2.840 -0.000 5.708) 6.375 28.052 ( -0.071 0.000 0.303) 0.312 28.083 ( -0.123 0.000 -0.386) 0.405 28.911 ( -0.568 0.000 2.691) 2.751 29.020 ( 2.360 -0.000 -4.048) 4.685 29.403 ( -0.773 0.000 -4.343) 4.412 29.504 ( -2.863 0.000 3.339) 4.398 30.849 ( 2.270 -0.000 -8.394) 8.696 31.210 ( -5.558 0.000 18.198) 19.027 31.330 ( 2.582 -0.000 -2.272) 3.439 31.396 ( 0.357 -0.000 6.777) 6.786 32.180 ( -4.830 0.000 -2.322) 5.360 32.811 ( 4.296 -0.000 -6.479) 7.774 101.031 ( 0.331 -0.000 0.995) 1.048 101.148 ( 2.718 -0.000 0.370) 2.743 101.341 ( 4.225 -0.000 1.726) 4.564 101.718 ( 0.838 -0.000 7.722) 7.768 ======================= Grid point 314 (164/165) ======================= q-point: (-0.12 -0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -13.351 3.952 12.595) 18.775 1.630 ( -1.684 -0.675 5.570) 5.858 1.697 ( 3.091 4.704 3.510) 6.634 1.972 ( -2.673 -1.770 -4.470) 5.501 2.109 ( -2.869 -2.243 -5.544) 6.633 2.297 ( -4.622 2.769 2.272) 5.847 2.370 ( -6.766 -1.841 -6.351) 9.461 2.499 ( 0.993 0.908 -6.792) 6.924 2.707 ( 5.382 -5.483 5.768) 9.607 2.845 ( 1.733 0.301 8.342) 8.525 2.965 ( -1.225 0.725 7.083) 7.225 3.033 ( -2.721 0.079 -1.947) 3.347 3.302 ( -2.554 -4.723 4.617) 7.082 3.369 ( 1.554 -3.080 2.915) 4.517 3.512 ( -2.105 -2.093 2.693) 4.008 3.807 ( -0.138 -0.966 1.609) 1.881 4.491 ( 6.067 6.659 6.015) 10.832 4.652 ( -2.695 2.159 7.952) 8.670 5.025 ( 5.409 2.346 -0.266) 5.902 5.173 ( 3.819 2.028 4.525) 6.259 5.937 ( 4.415 -0.443 2.490) 5.088 6.311 ( 3.899 2.763 -1.294) 4.951 6.466 ( 8.278 -1.333 0.257) 8.389 6.500 ( 5.334 -0.610 2.710) 6.014 8.851 ( -4.822 -2.938 7.064) 9.044 9.004 ( 4.229 -2.568 -6.624) 8.267 9.790 ( -6.876 1.125 2.256) 7.323 9.902 ( -1.230 0.600 -6.865) 7.000 10.387 ( -3.427 2.229 5.657) 6.980 10.591 ( 1.746 1.738 -2.299) 3.370 10.803 ( -0.516 3.796 -10.700) 11.365 10.958 ( -2.565 2.833 -3.166) 4.963 11.919 ( -1.714 -1.489 0.216) 2.281 11.966 ( 0.003 1.800 -0.225) 1.815 12.474 ( -2.732 -3.496 0.800) 4.508 12.538 ( -0.853 -5.452 -3.910) 6.763 13.524 ( -2.669 0.465 4.808) 5.519 13.574 ( 1.988 5.950 -3.419) 7.144 14.289 ( 2.128 -0.365 3.062) 3.747 14.513 ( 2.117 -4.864 -3.487) 6.348 16.884 ( -0.246 -0.331 1.010) 1.091 16.902 ( 0.503 -0.182 -1.796) 1.874 17.510 ( -0.930 -0.195 0.022) 0.950 17.541 ( -1.198 -1.862 -1.510) 2.680 18.230 ( 1.437 1.426 2.586) 3.284 18.297 ( 2.007 -1.739 0.842) 2.786 23.717 ( -7.853 0.256 6.768) 10.370 23.861 ( 5.342 4.630 -9.501) 11.842 25.420 ( 10.190 -1.943 -6.953) 12.488 25.697 ( -1.679 3.205 4.801) 6.012 28.047 ( 0.222 0.832 0.192) 0.883 28.078 ( -0.335 0.073 -0.305) 0.459 28.919 ( -0.162 0.241 2.287) 2.306 29.027 ( 1.845 -0.537 -3.594) 4.076 29.409 ( 0.278 -3.689 -3.059) 4.800 29.534 ( -3.133 -5.501 1.669) 6.547 30.855 ( 5.958 -0.089 -5.359) 8.014 31.211 ( -7.410 1.963 12.632) 14.776 31.329 ( 1.931 2.381 0.620) 3.127 31.398 ( -1.036 3.674 5.729) 6.884 32.148 ( -0.016 -0.542 -0.391) 0.668 32.814 ( 1.175 -1.077 -6.951) 7.132 101.039 ( 0.255 0.094 1.072) 1.106 101.151 ( -0.044 0.339 -2.013) 2.042 101.439 ( 10.527 0.863 3.380) 11.090 101.754 ( -0.914 0.899 7.228) 7.341 ======================= Grid point 322 (165/165) ======================= q-point: (-0.12 -0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.65e-04 1.65e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -8.053 0.000 8.260) 11.536 1.611 ( -6.720 0.000 14.037) 15.563 1.735 ( -1.756 0.000 2.083) 2.724 1.909 ( -1.246 0.000 -3.358) 3.582 2.095 ( 2.445 -0.000 -5.937) 6.421 2.123 ( -17.097 0.000 -1.216) 17.141 2.387 ( 5.565 -0.000 -5.784) 8.027 2.455 ( -0.064 0.000 -7.745) 7.746 2.769 ( 7.008 -0.000 2.890) 7.580 2.872 ( -3.082 0.000 12.041) 12.429 3.001 ( 5.262 -0.000 -3.982) 6.599 3.022 ( -4.684 0.000 8.862) 10.024 3.296 ( 4.284 -0.000 1.256) 4.465 3.389 ( 1.679 -0.000 5.864) 6.100 3.484 ( -2.973 0.000 3.759) 4.793 3.797 ( -2.188 0.000 -0.382) 2.221 4.640 ( 5.232 -0.000 1.481) 5.437 4.653 ( -6.587 0.000 6.052) 8.946 5.114 ( 5.575 -0.000 3.002) 6.332 5.264 ( 4.587 -0.000 5.297) 7.007 6.025 ( 7.777 -0.000 4.867) 9.174 6.343 ( 0.441 -0.000 -2.583) 2.620 6.547 ( 8.345 -0.000 -0.220) 8.348 6.572 ( 4.193 -0.000 3.946) 5.758 8.812 ( -4.529 0.000 6.679) 8.069 8.986 ( 3.468 -0.000 -7.214) 8.004 9.743 ( -5.832 0.000 3.066) 6.589 9.859 ( -0.465 0.000 -6.182) 6.200 10.405 ( -2.901 0.000 5.976) 6.643 10.614 ( 1.911 -0.000 -1.453) 2.401 10.764 ( -0.720 0.000 -11.367) 11.390 10.924 ( -3.806 0.000 -4.842) 6.158 11.889 ( -1.608 0.000 1.404) 2.134 11.977 ( -0.410 0.000 -0.563) 0.697 12.417 ( -4.907 0.000 3.690) 6.139 12.463 ( 1.730 -0.000 -6.804) 7.021 13.534 ( -2.592 0.000 6.582) 7.074 13.634 ( 2.595 -0.000 -4.407) 5.114 14.320 ( 1.126 -0.000 3.148) 3.343 14.464 ( 1.455 -0.000 -4.204) 4.449 16.886 ( -0.336 0.000 1.381) 1.421 16.897 ( 0.898 -0.000 -1.849) 2.055 17.501 ( -1.205 0.000 -0.468) 1.292 17.504 ( -0.479 0.000 -0.430) 0.644 18.287 ( -1.761 0.000 4.459) 4.794 18.288 ( 4.700 -0.000 -2.027) 5.119 23.673 ( -8.331 0.000 8.461) 11.874 23.895 ( 5.528 -0.000 -13.611) 14.691 25.487 ( 11.426 -0.000 -5.994) 12.902 25.707 ( -6.057 0.000 4.176) 7.357 28.058 ( 0.567 -0.000 -0.169) 0.592 28.073 ( -0.596 0.000 0.052) 0.598 28.934 ( -0.142 0.000 2.503) 2.507 29.019 ( 1.466 -0.000 -3.442) 3.741 29.372 ( 1.803 -0.000 -2.667) 3.219 29.460 ( -3.926 0.000 1.951) 4.384 30.911 ( 10.502 -0.000 -5.605) 11.905 31.189 ( -12.847 0.000 12.821) 18.150 31.379 ( 3.560 -0.000 -0.820) 3.653 31.443 ( -2.528 0.000 5.075) 5.670 32.175 ( 4.349 -0.000 3.258) 5.434 32.761 ( -1.207 0.000 -8.852) 8.933 101.049 ( 0.179 -0.000 1.283) 1.296 101.137 ( -0.357 0.000 -2.475) 2.500 101.602 ( 14.349 -0.000 1.072) 14.389 101.785 ( -2.906 0.000 7.611) 8.147 =================== 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 3/38016 10.0 57.722 59.128 59.265 -0.000 1.114 -0.000 3/38016 20.0 12.051 11.387 13.278 -0.000 1.112 -0.000 3/38016 30.0 6.176 5.780 6.961 -0.000 0.717 -0.000 3/38016 40.0 4.199 3.924 4.770 -0.000 0.513 -0.000 3/38016 50.0 3.206 3.005 3.660 -0.000 0.392 -0.000 3/38016 60.0 2.604 2.452 2.984 -0.000 0.315 -0.000 3/38016 70.0 2.199 2.080 2.527 -0.000 0.262 -0.000 3/38016 80.0 1.906 1.813 2.197 -0.000 0.223 -0.000 3/38016 90.0 1.685 1.612 1.948 -0.000 0.193 -0.000 3/38016 100.0 1.512 1.454 1.751 -0.000 0.170 -0.000 3/38016 110.0 1.372 1.327 1.593 -0.000 0.151 -0.000 3/38016 120.0 1.256 1.222 1.463 -0.000 0.135 -0.000 3/38016 130.0 1.159 1.134 1.353 -0.000 0.122 -0.000 3/38016 140.0 1.077 1.059 1.260 0.000 0.111 -0.000 3/38016 150.0 1.006 0.994 1.180 0.000 0.101 -0.000 3/38016 160.0 0.944 0.938 1.110 0.000 0.093 -0.000 3/38016 170.0 0.889 0.887 1.048 0.000 0.086 -0.000 3/38016 180.0 0.841 0.843 0.993 0.000 0.079 -0.000 3/38016 190.0 0.798 0.803 0.945 0.000 0.074 -0.000 3/38016 200.0 0.759 0.766 0.901 0.000 0.068 -0.000 3/38016 210.0 0.724 0.733 0.861 0.000 0.064 -0.000 3/38016 220.0 0.693 0.703 0.825 0.000 0.060 -0.000 3/38016 230.0 0.664 0.676 0.793 0.000 0.056 -0.000 3/38016 240.0 0.638 0.651 0.763 0.000 0.052 -0.000 3/38016 250.0 0.613 0.627 0.735 0.000 0.049 -0.000 3/38016 260.0 0.591 0.606 0.710 0.000 0.046 -0.000 3/38016 270.0 0.571 0.585 0.686 0.000 0.043 -0.000 3/38016 280.0 0.551 0.567 0.664 0.000 0.041 -0.000 3/38016 290.0 0.534 0.549 0.644 0.000 0.039 -0.000 3/38016 300.0 0.517 0.533 0.625 0.000 0.036 -0.000 3/38016 310.0 0.502 0.517 0.607 0.000 0.034 -0.000 3/38016 320.0 0.487 0.503 0.590 0.000 0.033 -0.000 3/38016 330.0 0.474 0.489 0.574 0.000 0.031 -0.000 3/38016 340.0 0.461 0.476 0.560 0.000 0.029 -0.000 3/38016 350.0 0.449 0.464 0.545 0.000 0.028 -0.000 3/38016 360.0 0.437 0.452 0.532 0.000 0.027 -0.000 3/38016 370.0 0.427 0.441 0.520 0.000 0.025 -0.000 3/38016 380.0 0.416 0.431 0.508 0.000 0.024 -0.000 3/38016 390.0 0.407 0.421 0.496 0.000 0.023 -0.000 3/38016 400.0 0.397 0.411 0.485 0.000 0.022 -0.000 3/38016 410.0 0.389 0.402 0.475 0.000 0.021 -0.000 3/38016 420.0 0.380 0.394 0.465 0.000 0.020 -0.000 3/38016 430.0 0.372 0.385 0.455 0.000 0.019 -0.000 3/38016 440.0 0.365 0.377 0.446 0.000 0.018 -0.000 3/38016 450.0 0.357 0.370 0.438 0.000 0.017 -0.000 3/38016 460.0 0.350 0.363 0.429 0.000 0.017 -0.000 3/38016 470.0 0.343 0.356 0.421 0.000 0.016 -0.000 3/38016 480.0 0.337 0.349 0.413 0.000 0.015 -0.000 3/38016 490.0 0.331 0.342 0.406 0.000 0.015 -0.000 3/38016 500.0 0.325 0.336 0.399 0.000 0.014 -0.000 3/38016 510.0 0.319 0.330 0.392 0.000 0.014 -0.000 3/38016 520.0 0.313 0.324 0.385 0.000 0.013 -0.000 3/38016 530.0 0.308 0.319 0.379 0.000 0.013 -0.000 3/38016 540.0 0.303 0.313 0.372 0.000 0.012 -0.000 3/38016 550.0 0.298 0.308 0.366 0.000 0.012 -0.000 3/38016 560.0 0.293 0.303 0.361 0.000 0.011 -0.000 3/38016 570.0 0.288 0.298 0.355 0.000 0.011 -0.000 3/38016 580.0 0.284 0.293 0.349 0.000 0.011 -0.000 3/38016 590.0 0.279 0.289 0.344 0.000 0.010 -0.000 3/38016 600.0 0.275 0.284 0.339 0.000 0.010 -0.000 3/38016 610.0 0.271 0.280 0.334 0.000 0.010 -0.000 3/38016 620.0 0.267 0.276 0.329 0.000 0.009 -0.000 3/38016 630.0 0.263 0.272 0.324 0.000 0.009 -0.000 3/38016 640.0 0.259 0.268 0.320 0.000 0.009 -0.000 3/38016 650.0 0.255 0.264 0.315 0.000 0.008 -0.000 3/38016 660.0 0.252 0.260 0.311 0.000 0.008 -0.000 3/38016 670.0 0.248 0.257 0.307 0.000 0.008 -0.000 3/38016 680.0 0.245 0.253 0.303 0.000 0.008 -0.000 3/38016 690.0 0.242 0.250 0.299 0.000 0.007 -0.000 3/38016 700.0 0.239 0.246 0.295 0.000 0.007 -0.000 3/38016 710.0 0.236 0.243 0.291 0.000 0.007 -0.000 3/38016 720.0 0.233 0.240 0.287 0.000 0.007 -0.000 3/38016 730.0 0.230 0.237 0.284 0.000 0.007 -0.000 3/38016 740.0 0.227 0.234 0.280 0.000 0.006 -0.000 3/38016 750.0 0.224 0.231 0.277 0.000 0.006 -0.000 3/38016 760.0 0.221 0.228 0.274 0.000 0.006 -0.000 3/38016 770.0 0.219 0.225 0.270 0.000 0.006 -0.000 3/38016 780.0 0.216 0.223 0.267 0.000 0.006 -0.000 3/38016 790.0 0.213 0.220 0.264 0.000 0.006 -0.000 3/38016 800.0 0.211 0.217 0.261 0.000 0.006 -0.000 3/38016 810.0 0.209 0.215 0.258 0.000 0.005 -0.000 3/38016 820.0 0.206 0.212 0.255 0.000 0.005 -0.000 3/38016 830.0 0.204 0.210 0.252 0.000 0.005 -0.000 3/38016 840.0 0.202 0.208 0.250 0.000 0.005 -0.000 3/38016 850.0 0.199 0.205 0.247 0.000 0.005 -0.000 3/38016 860.0 0.197 0.203 0.244 0.000 0.005 -0.000 3/38016 870.0 0.195 0.201 0.242 0.000 0.005 -0.000 3/38016 880.0 0.193 0.199 0.239 0.000 0.005 -0.000 3/38016 890.0 0.191 0.197 0.237 0.000 0.005 -0.000 3/38016 900.0 0.189 0.195 0.234 0.000 0.004 -0.000 3/38016 910.0 0.187 0.192 0.232 0.000 0.004 -0.000 3/38016 920.0 0.185 0.191 0.229 0.000 0.004 -0.000 3/38016 930.0 0.183 0.189 0.227 0.000 0.004 -0.000 3/38016 940.0 0.182 0.187 0.225 0.000 0.004 -0.000 3/38016 950.0 0.180 0.185 0.223 0.000 0.004 -0.000 3/38016 960.0 0.178 0.183 0.221 0.000 0.004 -0.000 3/38016 970.0 0.176 0.181 0.218 0.000 0.004 -0.000 3/38016 980.0 0.175 0.179 0.216 0.000 0.004 -0.000 3/38016 990.0 0.173 0.178 0.214 0.000 0.004 -0.000 3/38016 1000.0 0.171 0.176 0.212 0.000 0.004 -0.000 3/38016 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:52:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|