----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.752651119490143 0.000000000000000 0.000000000000000 b 0.000000000000000 8.225809880000000 0.000000000000000 c -1.872663771715587 0.000000000000000 6.532766339291881 Atomic positions (fractional): *1 Pd 0.75604969525575 0.62448392270924 0.99528382496639 106.420 2 Pd 0.24395030474425 0.12448392270924 0.50471617503361 106.420 3 Pd 0.24395030474425 0.37551607729076 0.00471617503361 106.420 4 Pd 0.75604969525575 0.87551607729076 0.49528382496639 106.420 *5 I 0.98876936615058 0.09811417157553 0.72908309704787 126.904 6 I 0.01123063384942 0.59811417157553 0.77091690295213 126.904 7 I 0.01123063384942 0.90188582842447 0.27091690295213 126.904 8 I 0.98876936615058 0.40188582842448 0.22908309704787 126.904 *9 I 0.46834683359619 0.34630020694516 0.74785285107951 126.904 10 I 0.53165316640381 0.84630020694516 0.75214714892049 126.904 11 I 0.53165316640381 0.65369979305484 0.25214714892049 126.904 12 I 0.46834683359619 0.15369979305484 0.24785285107951 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.752651119490143 0.000000000000000 0.000000000000000 b 0.000000000000000 8.225809880000000 0.000000000000000 c -1.872663771715587 0.000000000000000 6.532766339291881 Atomic positions (fractional): *1 Pd 0.75604969525575 0.62448392270924 0.99528382496639 106.420 > 1 2 Pd 0.24395030474425 0.12448392270924 0.50471617503361 106.420 > 2 3 Pd 0.24395030474425 0.37551607729076 0.00471617503361 106.420 > 3 4 Pd 0.75604969525575 0.87551607729076 0.49528382496639 106.420 > 4 *5 I 0.98876936615058 0.09811417157553 0.72908309704787 126.904 > 5 6 I 0.01123063384942 0.59811417157553 0.77091690295213 126.904 > 6 7 I 0.01123063384942 0.90188582842447 0.27091690295213 126.904 > 7 8 I 0.98876936615058 0.40188582842448 0.22908309704787 126.904 > 8 *9 I 0.46834683359619 0.34630020694516 0.74785285107951 126.904 > 9 10 I 0.53165316640381 0.84630020694516 0.75214714892049 126.904 > 10 11 I 0.53165316640381 0.65369979305484 0.25214714892049 126.904 > 11 12 I 0.46834683359619 0.15369979305484 0.24785285107951 126.904 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.257953358470431 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451619760000000 0.000000000000000 c -3.745327543431174 0.000000000000000 13.065532678583763 Atomic positions (fractional): *1 Pd 0.25201656508525 0.31224196135462 0.49764191248320 106.420 > 1 2 Pd 0.58534989841858 0.31224196135462 0.49764191248320 106.420 > 1 3 Pd 0.91868323175192 0.31224196135462 0.49764191248320 106.420 > 1 4 Pd 0.25201656508525 0.81224196135462 0.49764191248320 106.420 > 1 5 Pd 0.58534989841858 0.81224196135462 0.49764191248320 106.420 > 1 6 Pd 0.91868323175192 0.81224196135462 0.49764191248320 106.420 > 1 7 Pd 0.25201656508525 0.31224196135462 0.99764191248320 106.420 > 1 8 Pd 0.58534989841858 0.31224196135462 0.99764191248320 106.420 > 1 9 Pd 0.91868323175192 0.31224196135462 0.99764191248320 106.420 > 1 10 Pd 0.25201656508525 0.81224196135462 0.99764191248320 106.420 > 1 11 Pd 0.58534989841858 0.81224196135462 0.99764191248320 106.420 > 1 12 Pd 0.91868323175192 0.81224196135462 0.99764191248320 106.420 > 1 13 Pd 0.08131676824808 0.06224196135462 0.25235808751680 106.420 > 2 14 Pd 0.41465010158142 0.06224196135462 0.25235808751680 106.420 > 2 15 Pd 0.74798343491475 0.06224196135462 0.25235808751680 106.420 > 2 16 Pd 0.08131676824808 0.56224196135462 0.25235808751680 106.420 > 2 17 Pd 0.41465010158142 0.56224196135462 0.25235808751680 106.420 > 2 18 Pd 0.74798343491475 0.56224196135462 0.25235808751680 106.420 > 2 19 Pd 0.08131676824808 0.06224196135462 0.75235808751680 106.420 > 2 20 Pd 0.41465010158142 0.06224196135462 0.75235808751680 106.420 > 2 21 Pd 0.74798343491475 0.06224196135462 0.75235808751680 106.420 > 2 22 Pd 0.08131676824808 0.56224196135462 0.75235808751680 106.420 > 2 23 Pd 0.41465010158142 0.56224196135462 0.75235808751680 106.420 > 2 24 Pd 0.74798343491475 0.56224196135462 0.75235808751680 106.420 > 2 25 Pd 0.08131676824808 0.18775803864538 0.00235808751680 106.420 > 3 26 Pd 0.41465010158142 0.18775803864538 0.00235808751680 106.420 > 3 27 Pd 0.74798343491475 0.18775803864538 0.00235808751680 106.420 > 3 28 Pd 0.08131676824808 0.68775803864538 0.00235808751680 106.420 > 3 29 Pd 0.41465010158142 0.68775803864538 0.00235808751680 106.420 > 3 30 Pd 0.74798343491475 0.68775803864538 0.00235808751680 106.420 > 3 31 Pd 0.08131676824808 0.18775803864538 0.50235808751680 106.420 > 3 32 Pd 0.41465010158142 0.18775803864538 0.50235808751680 106.420 > 3 33 Pd 0.74798343491475 0.18775803864538 0.50235808751680 106.420 > 3 34 Pd 0.08131676824808 0.68775803864538 0.50235808751680 106.420 > 3 35 Pd 0.41465010158142 0.68775803864538 0.50235808751680 106.420 > 3 36 Pd 0.74798343491475 0.68775803864538 0.50235808751680 106.420 > 3 37 Pd 0.25201656508525 0.43775803864538 0.24764191248320 106.420 > 4 38 Pd 0.58534989841858 0.43775803864538 0.24764191248320 106.420 > 4 39 Pd 0.91868323175192 0.43775803864538 0.24764191248320 106.420 > 4 40 Pd 0.25201656508525 0.93775803864538 0.24764191248320 106.420 > 4 41 Pd 0.58534989841858 0.93775803864538 0.24764191248320 106.420 > 4 42 Pd 0.91868323175192 0.93775803864538 0.24764191248320 106.420 > 4 43 Pd 0.25201656508525 0.43775803864538 0.74764191248320 106.420 > 4 44 Pd 0.58534989841858 0.43775803864538 0.74764191248320 106.420 > 4 45 Pd 0.91868323175192 0.43775803864538 0.74764191248320 106.420 > 4 46 Pd 0.25201656508525 0.93775803864538 0.74764191248320 106.420 > 4 47 Pd 0.58534989841858 0.93775803864538 0.74764191248320 106.420 > 4 48 Pd 0.91868323175192 0.93775803864538 0.74764191248320 106.420 > 4 *49 I 0.32958978871686 0.04905708578776 0.36454154852394 126.904 > 5 50 I 0.66292312205019 0.04905708578776 0.36454154852394 126.904 > 5 51 I 0.99625645538353 0.04905708578776 0.36454154852394 126.904 > 5 52 I 0.32958978871686 0.54905708578776 0.36454154852394 126.904 > 5 53 I 0.66292312205019 0.54905708578776 0.36454154852394 126.904 > 5 54 I 0.99625645538353 0.54905708578776 0.36454154852394 126.904 > 5 55 I 0.32958978871686 0.04905708578776 0.86454154852394 126.904 > 5 56 I 0.66292312205019 0.04905708578776 0.86454154852394 126.904 > 5 57 I 0.99625645538353 0.04905708578776 0.86454154852394 126.904 > 5 58 I 0.32958978871686 0.54905708578776 0.86454154852394 126.904 > 5 59 I 0.66292312205019 0.54905708578776 0.86454154852394 126.904 > 5 60 I 0.99625645538353 0.54905708578776 0.86454154852394 126.904 > 5 61 I 0.00374354461647 0.29905708578776 0.38545845147606 126.904 > 6 62 I 0.33707687794981 0.29905708578776 0.38545845147606 126.904 > 6 63 I 0.67041021128314 0.29905708578776 0.38545845147606 126.904 > 6 64 I 0.00374354461647 0.79905708578776 0.38545845147606 126.904 > 6 65 I 0.33707687794981 0.79905708578776 0.38545845147606 126.904 > 6 66 I 0.67041021128314 0.79905708578776 0.38545845147606 126.904 > 6 67 I 0.00374354461647 0.29905708578776 0.88545845147606 126.904 > 6 68 I 0.33707687794981 0.29905708578776 0.88545845147606 126.904 > 6 69 I 0.67041021128314 0.29905708578776 0.88545845147606 126.904 > 6 70 I 0.00374354461647 0.79905708578776 0.88545845147606 126.904 > 6 71 I 0.33707687794981 0.79905708578776 0.88545845147606 126.904 > 6 72 I 0.67041021128314 0.79905708578776 0.88545845147606 126.904 > 6 73 I 0.00374354461647 0.45094291421224 0.13545845147606 126.904 > 7 74 I 0.33707687794981 0.45094291421224 0.13545845147606 126.904 > 7 75 I 0.67041021128314 0.45094291421224 0.13545845147606 126.904 > 7 76 I 0.00374354461647 0.95094291421224 0.13545845147606 126.904 > 7 77 I 0.33707687794981 0.95094291421224 0.13545845147606 126.904 > 7 78 I 0.67041021128314 0.95094291421224 0.13545845147606 126.904 > 7 79 I 0.00374354461647 0.45094291421224 0.63545845147606 126.904 > 7 80 I 0.33707687794981 0.45094291421224 0.63545845147606 126.904 > 7 81 I 0.67041021128314 0.45094291421224 0.63545845147606 126.904 > 7 82 I 0.00374354461647 0.95094291421224 0.63545845147606 126.904 > 7 83 I 0.33707687794981 0.95094291421224 0.63545845147606 126.904 > 7 84 I 0.67041021128314 0.95094291421224 0.63545845147606 126.904 > 7 85 I 0.32958978871686 0.20094291421224 0.11454154852394 126.904 > 8 86 I 0.66292312205019 0.20094291421224 0.11454154852394 126.904 > 8 87 I 0.99625645538353 0.20094291421224 0.11454154852394 126.904 > 8 88 I 0.32958978871686 0.70094291421224 0.11454154852394 126.904 > 8 89 I 0.66292312205019 0.70094291421224 0.11454154852394 126.904 > 8 90 I 0.99625645538353 0.70094291421224 0.11454154852394 126.904 > 8 91 I 0.32958978871686 0.20094291421224 0.61454154852394 126.904 > 8 92 I 0.66292312205019 0.20094291421224 0.61454154852394 126.904 > 8 93 I 0.99625645538353 0.20094291421224 0.61454154852394 126.904 > 8 94 I 0.32958978871686 0.70094291421224 0.61454154852394 126.904 > 8 95 I 0.66292312205019 0.70094291421224 0.61454154852394 126.904 > 8 96 I 0.99625645538353 0.70094291421224 0.61454154852394 126.904 > 8 *97 I 0.15611561119873 0.17315010347258 0.37392642553975 126.904 > 9 98 I 0.48944894453206 0.17315010347258 0.37392642553975 126.904 > 9 99 I 0.82278227786540 0.17315010347258 0.37392642553975 126.904 > 9 100 I 0.15611561119873 0.67315010347258 0.37392642553975 126.904 > 9 101 I 0.48944894453206 0.67315010347258 0.37392642553975 126.904 > 9 102 I 0.82278227786540 0.67315010347258 0.37392642553975 126.904 > 9 103 I 0.15611561119873 0.17315010347258 0.87392642553975 126.904 > 9 104 I 0.48944894453206 0.17315010347258 0.87392642553975 126.904 > 9 105 I 0.82278227786540 0.17315010347258 0.87392642553975 126.904 > 9 106 I 0.15611561119873 0.67315010347258 0.87392642553975 126.904 > 9 107 I 0.48944894453206 0.67315010347258 0.87392642553975 126.904 > 9 108 I 0.82278227786540 0.67315010347258 0.87392642553975 126.904 > 9 109 I 0.17721772213460 0.42315010347258 0.37607357446025 126.904 > 10 110 I 0.51055105546794 0.42315010347258 0.37607357446025 126.904 > 10 111 I 0.84388438880127 0.42315010347258 0.37607357446025 126.904 > 10 112 I 0.17721772213460 0.92315010347258 0.37607357446025 126.904 > 10 113 I 0.51055105546794 0.92315010347258 0.37607357446025 126.904 > 10 114 I 0.84388438880127 0.92315010347258 0.37607357446025 126.904 > 10 115 I 0.17721772213460 0.42315010347258 0.87607357446025 126.904 > 10 116 I 0.51055105546794 0.42315010347258 0.87607357446025 126.904 > 10 117 I 0.84388438880127 0.42315010347258 0.87607357446025 126.904 > 10 118 I 0.17721772213460 0.92315010347258 0.87607357446025 126.904 > 10 119 I 0.51055105546794 0.92315010347258 0.87607357446025 126.904 > 10 120 I 0.84388438880127 0.92315010347258 0.87607357446025 126.904 > 10 121 I 0.17721772213460 0.32684989652742 0.12607357446025 126.904 > 11 122 I 0.51055105546794 0.32684989652742 0.12607357446025 126.904 > 11 123 I 0.84388438880127 0.32684989652742 0.12607357446025 126.904 > 11 124 I 0.17721772213460 0.82684989652742 0.12607357446025 126.904 > 11 125 I 0.51055105546794 0.82684989652742 0.12607357446025 126.904 > 11 126 I 0.84388438880127 0.82684989652742 0.12607357446025 126.904 > 11 127 I 0.17721772213460 0.32684989652742 0.62607357446025 126.904 > 11 128 I 0.51055105546794 0.32684989652742 0.62607357446025 126.904 > 11 129 I 0.84388438880127 0.32684989652742 0.62607357446025 126.904 > 11 130 I 0.17721772213460 0.82684989652742 0.62607357446025 126.904 > 11 131 I 0.51055105546794 0.82684989652742 0.62607357446025 126.904 > 11 132 I 0.84388438880127 0.82684989652742 0.62607357446025 126.904 > 11 133 I 0.15611561119873 0.07684989652742 0.12392642553975 126.904 > 12 134 I 0.48944894453206 0.07684989652742 0.12392642553975 126.904 > 12 135 I 0.82278227786540 0.07684989652742 0.12392642553975 126.904 > 12 136 I 0.15611561119873 0.57684989652742 0.12392642553975 126.904 > 12 137 I 0.48944894453206 0.57684989652742 0.12392642553975 126.904 > 12 138 I 0.82278227786540 0.57684989652742 0.12392642553975 126.904 > 12 139 I 0.15611561119873 0.07684989652742 0.62392642553975 126.904 > 12 140 I 0.48944894453206 0.07684989652742 0.62392642553975 126.904 > 12 141 I 0.82278227786540 0.07684989652742 0.62392642553975 126.904 > 12 142 I 0.15611561119873 0.57684989652742 0.62392642553975 126.904 > 12 143 I 0.48944894453206 0.57684989652742 0.62392642553975 126.904 > 12 144 I 0.82278227786540 0.57684989652742 0.62392642553975 126.904 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.1458288 0.0000000 6.5203477 0.0000000 28.5933560 0.0000000 6.5203368 0.0000000 22.1917696 -------------------------- Born effective charges -------------------------- 1 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 2 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 3 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 4 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 5 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 6 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 7 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 8 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 9 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 10 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 11 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 12 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2016 Number of blocks in projector: 2016 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.673 Solver_block: 200 / 400 - Time: 4.614 Solver_block: 300 / 400 - Time: 4.606 Solver_block: 400 / 400 - Time: 4.610 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.562 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2016 Number of blocks in projector: 2016 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 240 Use standard eigh solver. Tree of FC basis block matrices: - (2016, 1990), data: False |-- (240, 237), data: True |-- (240, 237), data: True |-- (240, 237), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:31:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:31:59]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.752651119490143 0.000000000000000 0.000000000000000 b 0.000000000000000 8.225809880000000 0.000000000000000 c -1.872663771715587 0.000000000000000 6.532766339291881 Atomic positions (fractional): 1 Pd 0.75604969525575 0.62448392270924 0.99528382496639 106.420 2 Pd 0.24395030474425 0.12448392270924 0.50471617503361 106.420 3 Pd 0.24395030474425 0.37551607729076 0.00471617503361 106.420 4 Pd 0.75604969525575 0.87551607729076 0.49528382496639 106.420 5 I 0.98876936615058 0.09811417157553 0.72908309704787 126.904 6 I 0.01123063384942 0.59811417157553 0.77091690295213 126.904 7 I 0.01123063384942 0.90188582842447 0.27091690295213 126.904 8 I 0.98876936615058 0.40188582842448 0.22908309704787 126.904 9 I 0.46834683359619 0.34630020694516 0.74785285107951 126.904 10 I 0.53165316640381 0.84630020694516 0.75214714892049 126.904 11 I 0.53165316640381 0.65369979305484 0.25214714892049 126.904 12 I 0.46834683359619 0.15369979305484 0.24785285107951 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.257953358470431 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451619760000000 0.000000000000000 c -3.745327543431174 0.000000000000000 13.065532678583763 Atomic positions (fractional): 1 Pd 0.25201656508525 0.31224196135462 0.49764191248320 106.420 > 1 2 Pd 0.58534989841858 0.31224196135462 0.49764191248320 106.420 > 1 3 Pd 0.91868323175192 0.31224196135462 0.49764191248320 106.420 > 1 4 Pd 0.25201656508525 0.81224196135462 0.49764191248320 106.420 > 1 5 Pd 0.58534989841858 0.81224196135462 0.49764191248320 106.420 > 1 6 Pd 0.91868323175192 0.81224196135462 0.49764191248320 106.420 > 1 7 Pd 0.25201656508525 0.31224196135462 0.99764191248320 106.420 > 1 8 Pd 0.58534989841858 0.31224196135462 0.99764191248320 106.420 > 1 9 Pd 0.91868323175192 0.31224196135462 0.99764191248320 106.420 > 1 10 Pd 0.25201656508525 0.81224196135462 0.99764191248320 106.420 > 1 11 Pd 0.58534989841858 0.81224196135462 0.99764191248320 106.420 > 1 12 Pd 0.91868323175192 0.81224196135462 0.99764191248320 106.420 > 1 13 Pd 0.08131676824808 0.06224196135462 0.25235808751680 106.420 > 13 14 Pd 0.41465010158142 0.06224196135462 0.25235808751680 106.420 > 13 15 Pd 0.74798343491475 0.06224196135462 0.25235808751680 106.420 > 13 16 Pd 0.08131676824808 0.56224196135462 0.25235808751680 106.420 > 13 17 Pd 0.41465010158142 0.56224196135462 0.25235808751680 106.420 > 13 18 Pd 0.74798343491475 0.56224196135462 0.25235808751680 106.420 > 13 19 Pd 0.08131676824808 0.06224196135462 0.75235808751680 106.420 > 13 20 Pd 0.41465010158142 0.06224196135462 0.75235808751680 106.420 > 13 21 Pd 0.74798343491475 0.06224196135462 0.75235808751680 106.420 > 13 22 Pd 0.08131676824808 0.56224196135462 0.75235808751680 106.420 > 13 23 Pd 0.41465010158142 0.56224196135462 0.75235808751680 106.420 > 13 24 Pd 0.74798343491475 0.56224196135462 0.75235808751680 106.420 > 13 25 Pd 0.08131676824808 0.18775803864538 0.00235808751680 106.420 > 25 26 Pd 0.41465010158142 0.18775803864538 0.00235808751680 106.420 > 25 27 Pd 0.74798343491475 0.18775803864538 0.00235808751680 106.420 > 25 28 Pd 0.08131676824808 0.68775803864538 0.00235808751680 106.420 > 25 29 Pd 0.41465010158142 0.68775803864538 0.00235808751680 106.420 > 25 30 Pd 0.74798343491475 0.68775803864538 0.00235808751680 106.420 > 25 31 Pd 0.08131676824808 0.18775803864538 0.50235808751680 106.420 > 25 32 Pd 0.41465010158142 0.18775803864538 0.50235808751680 106.420 > 25 33 Pd 0.74798343491475 0.18775803864538 0.50235808751680 106.420 > 25 34 Pd 0.08131676824808 0.68775803864538 0.50235808751680 106.420 > 25 35 Pd 0.41465010158142 0.68775803864538 0.50235808751680 106.420 > 25 36 Pd 0.74798343491475 0.68775803864538 0.50235808751680 106.420 > 25 37 Pd 0.25201656508525 0.43775803864538 0.24764191248320 106.420 > 37 38 Pd 0.58534989841858 0.43775803864538 0.24764191248320 106.420 > 37 39 Pd 0.91868323175192 0.43775803864538 0.24764191248320 106.420 > 37 40 Pd 0.25201656508525 0.93775803864538 0.24764191248320 106.420 > 37 41 Pd 0.58534989841858 0.93775803864538 0.24764191248320 106.420 > 37 42 Pd 0.91868323175192 0.93775803864538 0.24764191248320 106.420 > 37 43 Pd 0.25201656508525 0.43775803864538 0.74764191248320 106.420 > 37 44 Pd 0.58534989841858 0.43775803864538 0.74764191248320 106.420 > 37 45 Pd 0.91868323175192 0.43775803864538 0.74764191248320 106.420 > 37 46 Pd 0.25201656508525 0.93775803864538 0.74764191248320 106.420 > 37 47 Pd 0.58534989841858 0.93775803864538 0.74764191248320 106.420 > 37 48 Pd 0.91868323175192 0.93775803864538 0.74764191248320 106.420 > 37 49 I 0.32958978871686 0.04905708578776 0.36454154852394 126.904 > 49 50 I 0.66292312205019 0.04905708578776 0.36454154852394 126.904 > 49 51 I 0.99625645538353 0.04905708578776 0.36454154852394 126.904 > 49 52 I 0.32958978871686 0.54905708578776 0.36454154852394 126.904 > 49 53 I 0.66292312205019 0.54905708578776 0.36454154852394 126.904 > 49 54 I 0.99625645538353 0.54905708578776 0.36454154852394 126.904 > 49 55 I 0.32958978871686 0.04905708578776 0.86454154852394 126.904 > 49 56 I 0.66292312205019 0.04905708578776 0.86454154852394 126.904 > 49 57 I 0.99625645538353 0.04905708578776 0.86454154852394 126.904 > 49 58 I 0.32958978871686 0.54905708578776 0.86454154852394 126.904 > 49 59 I 0.66292312205019 0.54905708578776 0.86454154852394 126.904 > 49 60 I 0.99625645538353 0.54905708578776 0.86454154852394 126.904 > 49 61 I 0.00374354461647 0.29905708578776 0.38545845147606 126.904 > 61 62 I 0.33707687794981 0.29905708578776 0.38545845147606 126.904 > 61 63 I 0.67041021128314 0.29905708578776 0.38545845147606 126.904 > 61 64 I 0.00374354461647 0.79905708578776 0.38545845147606 126.904 > 61 65 I 0.33707687794981 0.79905708578776 0.38545845147606 126.904 > 61 66 I 0.67041021128314 0.79905708578776 0.38545845147606 126.904 > 61 67 I 0.00374354461647 0.29905708578776 0.88545845147606 126.904 > 61 68 I 0.33707687794981 0.29905708578776 0.88545845147606 126.904 > 61 69 I 0.67041021128314 0.29905708578776 0.88545845147606 126.904 > 61 70 I 0.00374354461647 0.79905708578776 0.88545845147606 126.904 > 61 71 I 0.33707687794981 0.79905708578776 0.88545845147606 126.904 > 61 72 I 0.67041021128314 0.79905708578776 0.88545845147606 126.904 > 61 73 I 0.00374354461647 0.45094291421224 0.13545845147606 126.904 > 73 74 I 0.33707687794981 0.45094291421224 0.13545845147606 126.904 > 73 75 I 0.67041021128314 0.45094291421224 0.13545845147606 126.904 > 73 76 I 0.00374354461647 0.95094291421224 0.13545845147606 126.904 > 73 77 I 0.33707687794981 0.95094291421224 0.13545845147606 126.904 > 73 78 I 0.67041021128314 0.95094291421224 0.13545845147606 126.904 > 73 79 I 0.00374354461647 0.45094291421224 0.63545845147606 126.904 > 73 80 I 0.33707687794981 0.45094291421224 0.63545845147606 126.904 > 73 81 I 0.67041021128314 0.45094291421224 0.63545845147606 126.904 > 73 82 I 0.00374354461647 0.95094291421224 0.63545845147606 126.904 > 73 83 I 0.33707687794981 0.95094291421224 0.63545845147606 126.904 > 73 84 I 0.67041021128314 0.95094291421224 0.63545845147606 126.904 > 73 85 I 0.32958978871686 0.20094291421224 0.11454154852394 126.904 > 85 86 I 0.66292312205019 0.20094291421224 0.11454154852394 126.904 > 85 87 I 0.99625645538353 0.20094291421224 0.11454154852394 126.904 > 85 88 I 0.32958978871686 0.70094291421224 0.11454154852394 126.904 > 85 89 I 0.66292312205019 0.70094291421224 0.11454154852394 126.904 > 85 90 I 0.99625645538353 0.70094291421224 0.11454154852394 126.904 > 85 91 I 0.32958978871686 0.20094291421224 0.61454154852394 126.904 > 85 92 I 0.66292312205019 0.20094291421224 0.61454154852394 126.904 > 85 93 I 0.99625645538353 0.20094291421224 0.61454154852394 126.904 > 85 94 I 0.32958978871686 0.70094291421224 0.61454154852394 126.904 > 85 95 I 0.66292312205019 0.70094291421224 0.61454154852394 126.904 > 85 96 I 0.99625645538353 0.70094291421224 0.61454154852394 126.904 > 85 97 I 0.15611561119873 0.17315010347258 0.37392642553975 126.904 > 97 98 I 0.48944894453206 0.17315010347258 0.37392642553975 126.904 > 97 99 I 0.82278227786540 0.17315010347258 0.37392642553975 126.904 > 97 100 I 0.15611561119873 0.67315010347258 0.37392642553975 126.904 > 97 101 I 0.48944894453206 0.67315010347258 0.37392642553975 126.904 > 97 102 I 0.82278227786540 0.67315010347258 0.37392642553975 126.904 > 97 103 I 0.15611561119873 0.17315010347258 0.87392642553975 126.904 > 97 104 I 0.48944894453206 0.17315010347258 0.87392642553975 126.904 > 97 105 I 0.82278227786540 0.17315010347258 0.87392642553975 126.904 > 97 106 I 0.15611561119873 0.67315010347258 0.87392642553975 126.904 > 97 107 I 0.48944894453206 0.67315010347258 0.87392642553975 126.904 > 97 108 I 0.82278227786540 0.67315010347258 0.87392642553975 126.904 > 97 109 I 0.17721772213460 0.42315010347258 0.37607357446025 126.904 > 109 110 I 0.51055105546794 0.42315010347258 0.37607357446025 126.904 > 109 111 I 0.84388438880127 0.42315010347258 0.37607357446025 126.904 > 109 112 I 0.17721772213460 0.92315010347258 0.37607357446025 126.904 > 109 113 I 0.51055105546794 0.92315010347258 0.37607357446025 126.904 > 109 114 I 0.84388438880127 0.92315010347258 0.37607357446025 126.904 > 109 115 I 0.17721772213460 0.42315010347258 0.87607357446025 126.904 > 109 116 I 0.51055105546794 0.42315010347258 0.87607357446025 126.904 > 109 117 I 0.84388438880127 0.42315010347258 0.87607357446025 126.904 > 109 118 I 0.17721772213460 0.92315010347258 0.87607357446025 126.904 > 109 119 I 0.51055105546794 0.92315010347258 0.87607357446025 126.904 > 109 120 I 0.84388438880127 0.92315010347258 0.87607357446025 126.904 > 109 121 I 0.17721772213460 0.32684989652742 0.12607357446025 126.904 > 121 122 I 0.51055105546794 0.32684989652742 0.12607357446025 126.904 > 121 123 I 0.84388438880127 0.32684989652742 0.12607357446025 126.904 > 121 124 I 0.17721772213460 0.82684989652742 0.12607357446025 126.904 > 121 125 I 0.51055105546794 0.82684989652742 0.12607357446025 126.904 > 121 126 I 0.84388438880127 0.82684989652742 0.12607357446025 126.904 > 121 127 I 0.17721772213460 0.32684989652742 0.62607357446025 126.904 > 121 128 I 0.51055105546794 0.32684989652742 0.62607357446025 126.904 > 121 129 I 0.84388438880127 0.32684989652742 0.62607357446025 126.904 > 121 130 I 0.17721772213460 0.82684989652742 0.62607357446025 126.904 > 121 131 I 0.51055105546794 0.82684989652742 0.62607357446025 126.904 > 121 132 I 0.84388438880127 0.82684989652742 0.62607357446025 126.904 > 121 133 I 0.15611561119873 0.07684989652742 0.12392642553975 126.904 > 133 134 I 0.48944894453206 0.07684989652742 0.12392642553975 126.904 > 133 135 I 0.82278227786540 0.07684989652742 0.12392642553975 126.904 > 133 136 I 0.15611561119873 0.57684989652742 0.12392642553975 126.904 > 133 137 I 0.48944894453206 0.57684989652742 0.12392642553975 126.904 > 133 138 I 0.82278227786540 0.57684989652742 0.12392642553975 126.904 > 133 139 I 0.15611561119873 0.07684989652742 0.62392642553975 126.904 > 133 140 I 0.48944894453206 0.07684989652742 0.62392642553975 126.904 > 133 141 I 0.82278227786540 0.07684989652742 0.62392642553975 126.904 > 133 142 I 0.15611561119873 0.57684989652742 0.62392642553975 126.904 > 133 143 I 0.48944894453206 0.57684989652742 0.62392642553975 126.904 > 133 144 I 0.82278227786540 0.57684989652742 0.62392642553975 126.904 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.1458288 0.0000000 6.5203477 0.0000000 28.5933560 0.0000000 6.5203368 0.0000000 22.1917696 -------------------------- Born effective charges -------------------------- 1 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 2 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 3 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 4 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 5 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 6 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 7 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 8 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 9 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 10 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 11 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 12 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 97, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:32:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:32:21]------------------------- 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): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.752651119490143 0.000000000000000 0.000000000000000 b 0.000000000000000 8.225809880000000 0.000000000000000 c -1.872663771715587 0.000000000000000 6.532766339291881 Atomic positions (fractional): 1 Pd 0.75604969525575 0.62448392270924 0.99528382496639 106.420 2 Pd 0.24395030474425 0.12448392270924 0.50471617503361 106.420 3 Pd 0.24395030474425 0.37551607729076 0.00471617503361 106.420 4 Pd 0.75604969525575 0.87551607729076 0.49528382496639 106.420 5 I 0.98876936615058 0.09811417157553 0.72908309704787 126.904 6 I 0.01123063384942 0.59811417157553 0.77091690295213 126.904 7 I 0.01123063384942 0.90188582842447 0.27091690295213 126.904 8 I 0.98876936615058 0.40188582842448 0.22908309704787 126.904 9 I 0.46834683359619 0.34630020694516 0.74785285107951 126.904 10 I 0.53165316640381 0.84630020694516 0.75214714892049 126.904 11 I 0.53165316640381 0.65369979305484 0.25214714892049 126.904 12 I 0.46834683359619 0.15369979305484 0.24785285107951 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.257953358470431 0.000000000000000 0.000000000000000 b 0.000000000000000 16.451619760000000 0.000000000000000 c -3.745327543431174 0.000000000000000 13.065532678583763 Atomic positions (fractional): 1 Pd 0.25201656508525 0.31224196135462 0.49764191248320 106.420 > 1 2 Pd 0.58534989841858 0.31224196135462 0.49764191248320 106.420 > 1 3 Pd 0.91868323175192 0.31224196135462 0.49764191248320 106.420 > 1 4 Pd 0.25201656508525 0.81224196135462 0.49764191248320 106.420 > 1 5 Pd 0.58534989841858 0.81224196135462 0.49764191248320 106.420 > 1 6 Pd 0.91868323175192 0.81224196135462 0.49764191248320 106.420 > 1 7 Pd 0.25201656508525 0.31224196135462 0.99764191248320 106.420 > 1 8 Pd 0.58534989841858 0.31224196135462 0.99764191248320 106.420 > 1 9 Pd 0.91868323175192 0.31224196135462 0.99764191248320 106.420 > 1 10 Pd 0.25201656508525 0.81224196135462 0.99764191248320 106.420 > 1 11 Pd 0.58534989841858 0.81224196135462 0.99764191248320 106.420 > 1 12 Pd 0.91868323175192 0.81224196135462 0.99764191248320 106.420 > 1 13 Pd 0.08131676824808 0.06224196135462 0.25235808751680 106.420 > 13 14 Pd 0.41465010158142 0.06224196135462 0.25235808751680 106.420 > 13 15 Pd 0.74798343491475 0.06224196135462 0.25235808751680 106.420 > 13 16 Pd 0.08131676824808 0.56224196135462 0.25235808751680 106.420 > 13 17 Pd 0.41465010158142 0.56224196135462 0.25235808751680 106.420 > 13 18 Pd 0.74798343491475 0.56224196135462 0.25235808751680 106.420 > 13 19 Pd 0.08131676824808 0.06224196135462 0.75235808751680 106.420 > 13 20 Pd 0.41465010158142 0.06224196135462 0.75235808751680 106.420 > 13 21 Pd 0.74798343491475 0.06224196135462 0.75235808751680 106.420 > 13 22 Pd 0.08131676824808 0.56224196135462 0.75235808751680 106.420 > 13 23 Pd 0.41465010158142 0.56224196135462 0.75235808751680 106.420 > 13 24 Pd 0.74798343491475 0.56224196135462 0.75235808751680 106.420 > 13 25 Pd 0.08131676824808 0.18775803864538 0.00235808751680 106.420 > 25 26 Pd 0.41465010158142 0.18775803864538 0.00235808751680 106.420 > 25 27 Pd 0.74798343491475 0.18775803864538 0.00235808751680 106.420 > 25 28 Pd 0.08131676824808 0.68775803864538 0.00235808751680 106.420 > 25 29 Pd 0.41465010158142 0.68775803864538 0.00235808751680 106.420 > 25 30 Pd 0.74798343491475 0.68775803864538 0.00235808751680 106.420 > 25 31 Pd 0.08131676824808 0.18775803864538 0.50235808751680 106.420 > 25 32 Pd 0.41465010158142 0.18775803864538 0.50235808751680 106.420 > 25 33 Pd 0.74798343491475 0.18775803864538 0.50235808751680 106.420 > 25 34 Pd 0.08131676824808 0.68775803864538 0.50235808751680 106.420 > 25 35 Pd 0.41465010158142 0.68775803864538 0.50235808751680 106.420 > 25 36 Pd 0.74798343491475 0.68775803864538 0.50235808751680 106.420 > 25 37 Pd 0.25201656508525 0.43775803864538 0.24764191248320 106.420 > 37 38 Pd 0.58534989841858 0.43775803864538 0.24764191248320 106.420 > 37 39 Pd 0.91868323175192 0.43775803864538 0.24764191248320 106.420 > 37 40 Pd 0.25201656508525 0.93775803864538 0.24764191248320 106.420 > 37 41 Pd 0.58534989841858 0.93775803864538 0.24764191248320 106.420 > 37 42 Pd 0.91868323175192 0.93775803864538 0.24764191248320 106.420 > 37 43 Pd 0.25201656508525 0.43775803864538 0.74764191248320 106.420 > 37 44 Pd 0.58534989841858 0.43775803864538 0.74764191248320 106.420 > 37 45 Pd 0.91868323175192 0.43775803864538 0.74764191248320 106.420 > 37 46 Pd 0.25201656508525 0.93775803864538 0.74764191248320 106.420 > 37 47 Pd 0.58534989841858 0.93775803864538 0.74764191248320 106.420 > 37 48 Pd 0.91868323175192 0.93775803864538 0.74764191248320 106.420 > 37 49 I 0.32958978871686 0.04905708578776 0.36454154852394 126.904 > 49 50 I 0.66292312205019 0.04905708578776 0.36454154852394 126.904 > 49 51 I 0.99625645538353 0.04905708578776 0.36454154852394 126.904 > 49 52 I 0.32958978871686 0.54905708578776 0.36454154852394 126.904 > 49 53 I 0.66292312205019 0.54905708578776 0.36454154852394 126.904 > 49 54 I 0.99625645538353 0.54905708578776 0.36454154852394 126.904 > 49 55 I 0.32958978871686 0.04905708578776 0.86454154852394 126.904 > 49 56 I 0.66292312205019 0.04905708578776 0.86454154852394 126.904 > 49 57 I 0.99625645538353 0.04905708578776 0.86454154852394 126.904 > 49 58 I 0.32958978871686 0.54905708578776 0.86454154852394 126.904 > 49 59 I 0.66292312205019 0.54905708578776 0.86454154852394 126.904 > 49 60 I 0.99625645538353 0.54905708578776 0.86454154852394 126.904 > 49 61 I 0.00374354461647 0.29905708578776 0.38545845147606 126.904 > 61 62 I 0.33707687794981 0.29905708578776 0.38545845147606 126.904 > 61 63 I 0.67041021128314 0.29905708578776 0.38545845147606 126.904 > 61 64 I 0.00374354461647 0.79905708578776 0.38545845147606 126.904 > 61 65 I 0.33707687794981 0.79905708578776 0.38545845147606 126.904 > 61 66 I 0.67041021128314 0.79905708578776 0.38545845147606 126.904 > 61 67 I 0.00374354461647 0.29905708578776 0.88545845147606 126.904 > 61 68 I 0.33707687794981 0.29905708578776 0.88545845147606 126.904 > 61 69 I 0.67041021128314 0.29905708578776 0.88545845147606 126.904 > 61 70 I 0.00374354461647 0.79905708578776 0.88545845147606 126.904 > 61 71 I 0.33707687794981 0.79905708578776 0.88545845147606 126.904 > 61 72 I 0.67041021128314 0.79905708578776 0.88545845147606 126.904 > 61 73 I 0.00374354461647 0.45094291421224 0.13545845147606 126.904 > 73 74 I 0.33707687794981 0.45094291421224 0.13545845147606 126.904 > 73 75 I 0.67041021128314 0.45094291421224 0.13545845147606 126.904 > 73 76 I 0.00374354461647 0.95094291421224 0.13545845147606 126.904 > 73 77 I 0.33707687794981 0.95094291421224 0.13545845147606 126.904 > 73 78 I 0.67041021128314 0.95094291421224 0.13545845147606 126.904 > 73 79 I 0.00374354461647 0.45094291421224 0.63545845147606 126.904 > 73 80 I 0.33707687794981 0.45094291421224 0.63545845147606 126.904 > 73 81 I 0.67041021128314 0.45094291421224 0.63545845147606 126.904 > 73 82 I 0.00374354461647 0.95094291421224 0.63545845147606 126.904 > 73 83 I 0.33707687794981 0.95094291421224 0.63545845147606 126.904 > 73 84 I 0.67041021128314 0.95094291421224 0.63545845147606 126.904 > 73 85 I 0.32958978871686 0.20094291421224 0.11454154852394 126.904 > 85 86 I 0.66292312205019 0.20094291421224 0.11454154852394 126.904 > 85 87 I 0.99625645538353 0.20094291421224 0.11454154852394 126.904 > 85 88 I 0.32958978871686 0.70094291421224 0.11454154852394 126.904 > 85 89 I 0.66292312205019 0.70094291421224 0.11454154852394 126.904 > 85 90 I 0.99625645538353 0.70094291421224 0.11454154852394 126.904 > 85 91 I 0.32958978871686 0.20094291421224 0.61454154852394 126.904 > 85 92 I 0.66292312205019 0.20094291421224 0.61454154852394 126.904 > 85 93 I 0.99625645538353 0.20094291421224 0.61454154852394 126.904 > 85 94 I 0.32958978871686 0.70094291421224 0.61454154852394 126.904 > 85 95 I 0.66292312205019 0.70094291421224 0.61454154852394 126.904 > 85 96 I 0.99625645538353 0.70094291421224 0.61454154852394 126.904 > 85 97 I 0.15611561119873 0.17315010347258 0.37392642553975 126.904 > 97 98 I 0.48944894453206 0.17315010347258 0.37392642553975 126.904 > 97 99 I 0.82278227786540 0.17315010347258 0.37392642553975 126.904 > 97 100 I 0.15611561119873 0.67315010347258 0.37392642553975 126.904 > 97 101 I 0.48944894453206 0.67315010347258 0.37392642553975 126.904 > 97 102 I 0.82278227786540 0.67315010347258 0.37392642553975 126.904 > 97 103 I 0.15611561119873 0.17315010347258 0.87392642553975 126.904 > 97 104 I 0.48944894453206 0.17315010347258 0.87392642553975 126.904 > 97 105 I 0.82278227786540 0.17315010347258 0.87392642553975 126.904 > 97 106 I 0.15611561119873 0.67315010347258 0.87392642553975 126.904 > 97 107 I 0.48944894453206 0.67315010347258 0.87392642553975 126.904 > 97 108 I 0.82278227786540 0.67315010347258 0.87392642553975 126.904 > 97 109 I 0.17721772213460 0.42315010347258 0.37607357446025 126.904 > 109 110 I 0.51055105546794 0.42315010347258 0.37607357446025 126.904 > 109 111 I 0.84388438880127 0.42315010347258 0.37607357446025 126.904 > 109 112 I 0.17721772213460 0.92315010347258 0.37607357446025 126.904 > 109 113 I 0.51055105546794 0.92315010347258 0.37607357446025 126.904 > 109 114 I 0.84388438880127 0.92315010347258 0.37607357446025 126.904 > 109 115 I 0.17721772213460 0.42315010347258 0.87607357446025 126.904 > 109 116 I 0.51055105546794 0.42315010347258 0.87607357446025 126.904 > 109 117 I 0.84388438880127 0.42315010347258 0.87607357446025 126.904 > 109 118 I 0.17721772213460 0.92315010347258 0.87607357446025 126.904 > 109 119 I 0.51055105546794 0.92315010347258 0.87607357446025 126.904 > 109 120 I 0.84388438880127 0.92315010347258 0.87607357446025 126.904 > 109 121 I 0.17721772213460 0.32684989652742 0.12607357446025 126.904 > 121 122 I 0.51055105546794 0.32684989652742 0.12607357446025 126.904 > 121 123 I 0.84388438880127 0.32684989652742 0.12607357446025 126.904 > 121 124 I 0.17721772213460 0.82684989652742 0.12607357446025 126.904 > 121 125 I 0.51055105546794 0.82684989652742 0.12607357446025 126.904 > 121 126 I 0.84388438880127 0.82684989652742 0.12607357446025 126.904 > 121 127 I 0.17721772213460 0.32684989652742 0.62607357446025 126.904 > 121 128 I 0.51055105546794 0.32684989652742 0.62607357446025 126.904 > 121 129 I 0.84388438880127 0.32684989652742 0.62607357446025 126.904 > 121 130 I 0.17721772213460 0.82684989652742 0.62607357446025 126.904 > 121 131 I 0.51055105546794 0.82684989652742 0.62607357446025 126.904 > 121 132 I 0.84388438880127 0.82684989652742 0.62607357446025 126.904 > 121 133 I 0.15611561119873 0.07684989652742 0.12392642553975 126.904 > 133 134 I 0.48944894453206 0.07684989652742 0.12392642553975 126.904 > 133 135 I 0.82278227786540 0.07684989652742 0.12392642553975 126.904 > 133 136 I 0.15611561119873 0.57684989652742 0.12392642553975 126.904 > 133 137 I 0.48944894453206 0.57684989652742 0.12392642553975 126.904 > 133 138 I 0.82278227786540 0.57684989652742 0.12392642553975 126.904 > 133 139 I 0.15611561119873 0.07684989652742 0.62392642553975 126.904 > 133 140 I 0.48944894453206 0.07684989652742 0.62392642553975 126.904 > 133 141 I 0.82278227786540 0.07684989652742 0.62392642553975 126.904 > 133 142 I 0.15611561119873 0.57684989652742 0.62392642553975 126.904 > 133 143 I 0.48944894453206 0.57684989652742 0.62392642553975 126.904 > 133 144 I 0.82278227786540 0.57684989652742 0.62392642553975 126.904 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.1458288 0.0000000 6.5203477 0.0000000 28.5933560 0.0000000 6.5203368 0.0000000 22.1917696 -------------------------- Born effective charges -------------------------- 1 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 2 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 3 Pd 0.3193736 -1.3899398 -0.1287901 -1.3951630 -0.5577316 -1.1858204 -0.0812566 -1.2872952 0.0288039 4 Pd 0.3193736 1.3899398 -0.1287901 1.3951630 -0.5577316 1.1858204 -0.0812566 1.2872952 0.0288039 5 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 6 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 7 I -0.3393220 0.2591143 0.1356946 0.3924465 0.6995419 1.0791735 0.0582276 0.5815634 -0.0056216 8 I -0.3393220 -0.2591143 0.1356946 -0.3924465 0.6995419 -1.0791735 0.0582276 -0.5815634 -0.0056216 9 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 10 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 11 I 0.0199484 -0.1214085 -0.0069045 -0.0221718 -0.1418104 -1.1416128 0.0230289 -0.2402607 -0.0231823 12 I 0.0199484 0.1214085 -0.0069045 0.0221718 -0.1418104 1.1416128 0.0230289 0.2402607 -0.0231823 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 299, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 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 1.047 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 12.396 0.000 1.213) 12.455 0.335 ( 15.238 0.000 8.368) 17.385 0.389 ( 17.528 0.000 10.052) 20.206 1.048 ( 0.027 0.000 0.647) 0.647 1.080 ( 2.317 0.000 0.454) 2.361 1.473 ( -4.034 0.000 2.670) 4.838 1.549 ( -1.300 0.000 -2.718) 3.013 1.572 ( -4.779 0.000 5.870) 7.569 1.670 ( 1.494 0.000 -1.771) 2.317 1.703 ( 0.953 0.000 -1.798) 2.035 1.845 ( 1.401 0.000 0.940) 1.687 2.033 ( -5.364 0.000 -1.269) 5.512 2.034 ( -4.265 0.000 -0.721) 4.325 2.339 ( -0.945 0.000 -2.421) 2.599 2.368 ( 0.156 0.000 0.143) 0.212 2.408 ( -0.652 0.000 -5.988) 6.023 2.470 ( 3.112 0.000 -1.318) 3.379 2.478 ( 0.253 0.000 2.790) 2.802 2.510 ( -0.695 0.000 0.285) 0.751 2.728 ( -2.690 0.000 1.118) 2.914 3.148 ( 6.124 0.000 7.920) 10.011 3.254 ( 3.827 0.000 4.793) 6.133 3.527 ( 0.971 0.000 0.863) 1.299 3.583 ( 0.306 0.000 1.153) 1.193 3.941 ( 2.401 0.000 -0.265) 2.416 3.953 ( -0.129 0.000 0.608) 0.622 4.251 ( -1.957 0.000 -1.529) 2.483 4.360 ( -0.905 0.000 -1.796) 2.011 5.858 ( -0.258 0.000 -0.852) 0.890 5.890 ( -0.576 0.000 0.270) 0.636 5.890 ( -0.256 0.000 -0.609) 0.660 5.937 ( -0.450 0.000 -0.032) 0.451 6.382 ( -0.949 0.000 -0.099) 0.954 6.403 ( 1.180 0.000 0.404) 1.247 6.417 ( 0.609 0.000 0.074) 0.614 6.609 ( -0.100 0.000 -0.756) 0.763 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 9.896 0.000 1.011) 9.948 0.646 ( 13.647 0.000 7.319) 15.486 0.740 ( 14.032 0.000 10.199) 17.347 1.057 ( 0.344 0.000 1.433) 1.473 1.133 ( 2.866 0.000 -0.314) 2.883 1.410 ( -3.545 0.000 2.565) 4.376 1.501 ( -1.660 0.000 -3.923) 4.260 1.508 ( -5.934 0.000 5.079) 7.811 1.674 ( -0.692 0.000 -1.391) 1.554 1.683 ( -1.515 0.000 -1.795) 2.348 1.854 ( -2.847 0.000 3.190) 4.275 1.940 ( -1.881 0.000 -3.537) 4.006 1.968 ( -1.398 0.000 -0.684) 1.556 2.302 ( -1.920 0.000 -1.499) 2.435 2.362 ( -0.689 0.000 -0.692) 0.977 2.367 ( -0.188 0.000 -5.803) 5.806 2.492 ( -0.089 0.000 1.784) 1.786 2.495 ( -0.870 0.000 1.312) 1.575 2.515 ( 2.488 0.000 -3.758) 4.507 2.679 ( -2.843 0.000 1.379) 3.160 3.317 ( 6.245 0.000 8.216) 10.320 3.381 ( 5.868 0.000 6.981) 9.120 3.563 ( 2.170 0.000 2.211) 3.099 3.600 ( 0.579 0.000 1.678) 1.776 3.955 ( -0.149 0.000 1.419) 1.427 3.998 ( 3.432 0.000 0.737) 3.510 4.189 ( -3.251 0.000 -3.160) 4.534 4.321 ( -1.793 0.000 -3.626) 4.045 5.846 ( -0.298 0.000 -1.326) 1.359 5.877 ( -0.888 0.000 0.412) 0.979 5.879 ( -0.470 0.000 -0.985) 1.091 5.927 ( -0.580 0.000 -0.019) 0.581 6.362 ( -1.032 0.000 -0.222) 1.055 6.429 ( 0.521 0.000 0.194) 0.556 6.434 ( 1.708 0.000 0.716) 1.852 6.601 ( -0.237 0.000 -0.967) 0.995 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 5.677 0.000 0.572) 5.706 0.914 ( 11.447 0.000 5.410) 12.662 0.992 ( 7.165 0.000 9.200) 11.661 1.076 ( 0.978 0.000 1.506) 1.796 1.161 ( 0.525 0.000 -3.113) 3.157 1.379 ( -9.523 0.000 0.479) 9.535 1.389 ( 0.172 0.000 1.754) 1.763 1.465 ( -0.046 0.000 -2.511) 2.512 1.630 ( -1.177 0.000 -0.987) 1.536 1.673 ( -0.402 0.000 0.080) 0.410 1.787 ( -4.221 0.000 1.826) 4.600 1.918 ( -0.108 0.000 -2.229) 2.232 1.968 ( 0.836 0.000 -0.114) 0.844 2.256 ( -2.160 0.000 -0.550) 2.229 2.341 ( -0.825 0.000 -1.044) 1.331 2.344 ( 0.363 0.000 -3.541) 3.560 2.488 ( -0.378 0.000 0.417) 0.563 2.494 ( -0.374 0.000 0.832) 0.913 2.530 ( 0.916 0.000 -1.991) 2.192 2.646 ( -1.367 0.000 0.848) 1.608 3.434 ( 2.751 0.000 3.657) 4.577 3.518 ( 4.703 0.000 5.272) 7.065 3.617 ( 0.315 0.000 1.093) 1.137 3.626 ( 2.608 0.000 2.935) 3.926 3.969 ( 0.664 0.000 2.838) 2.915 4.074 ( 3.696 0.000 3.333) 4.976 4.104 ( -3.551 0.000 -4.423) 5.672 4.255 ( -2.749 0.000 -5.209) 5.890 5.835 ( -0.141 0.000 -1.068) 1.077 5.864 ( -0.710 0.000 0.349) 0.791 5.865 ( -0.401 0.000 -0.770) 0.868 5.917 ( -0.383 0.000 -0.002) 0.383 6.344 ( -0.688 0.000 -0.186) 0.713 6.438 ( 0.306 0.000 0.174) 0.352 6.467 ( 1.284 0.000 0.682) 1.454 6.591 ( -0.245 0.000 -0.824) 0.860 ======================= Grid point 4 (5/136) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 0.000 -0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.124 ( -0.000 0.000 -0.000) 0.000 1.155 ( -0.000 0.000 -0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 -0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 -0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 -0.000) 0.000 1.978 ( 0.000 0.000 -0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 -0.000) 0.000 2.485 ( 0.000 0.000 -0.000) 0.000 2.492 ( 0.000 0.000 -0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 -0.000) 0.000 3.585 ( -0.000 0.000 -0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 -0.000) 0.000 4.010 ( 0.000 0.000 -0.000) 0.000 4.029 ( 0.000 0.000 -0.000) 0.000 4.164 ( -0.000 0.000 -0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 -0.000) 0.000 5.858 ( -0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 -0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 6.337 ( 0.000 0.000 -0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.586 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/136) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 0.000 12.361 0.000) 12.361 0.393 ( 0.000 18.581 0.000) 18.581 0.415 ( 0.000 20.288 0.000) 20.288 1.036 ( 0.000 -2.305 0.000) 2.305 1.102 ( 0.000 1.636 0.000) 1.636 1.416 ( 0.000 -5.190 0.000) 5.190 1.517 ( 0.000 -2.001 0.000) 2.001 1.634 ( 0.000 -0.418 0.000) 0.418 1.667 ( 0.000 -3.106 0.000) 3.106 1.674 ( 0.000 1.527 0.000) 1.527 1.882 ( 0.000 4.028 0.000) 4.028 2.044 ( 0.000 -3.589 0.000) 3.589 2.072 ( 0.000 -1.311 0.000) 1.311 2.368 ( 0.000 1.054 0.000) 1.054 2.384 ( 0.000 -1.051 0.000) 1.051 2.392 ( 0.000 0.352 0.000) 0.352 2.409 ( 0.000 -2.328 0.000) 2.328 2.465 ( 0.000 0.265 0.000) 0.265 2.567 ( 0.000 -0.687 0.000) 0.687 2.717 ( 0.000 -3.304 0.000) 3.304 3.210 ( 0.000 9.409 0.000) 9.409 3.290 ( 0.000 8.576 0.000) 8.576 3.521 ( 0.000 0.421 0.000) 0.421 3.601 ( 0.000 2.215 0.000) 2.215 3.938 ( 0.000 1.642 0.000) 1.642 3.955 ( 0.000 0.427 0.000) 0.427 4.236 ( 0.000 -3.437 0.000) 3.437 4.356 ( 0.000 -1.970 0.000) 1.970 5.852 ( 0.000 -0.912 0.000) 0.912 5.874 ( 0.000 -1.237 0.000) 1.237 5.903 ( 0.000 0.065 0.000) 0.065 5.917 ( 0.000 -0.601 0.000) 0.601 6.373 ( 0.000 -0.537 0.000) 0.537 6.406 ( 0.000 -0.311 0.000) 0.311 6.433 ( 0.000 2.235 0.000) 2.235 6.600 ( 0.000 -0.859 0.000) 0.859 ======================= Grid point 10 (7/136) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 2.961 11.411 -3.663) 12.345 0.355 ( 9.206 8.455 -1.738) 12.620 0.722 ( 13.394 16.228 9.236) 22.979 1.044 ( 0.614 -1.660 0.312) 1.797 1.104 ( 0.700 1.706 -0.110) 1.848 1.390 ( -2.761 -4.257 2.582) 5.693 1.509 ( -0.980 -2.858 -1.787) 3.510 1.598 ( -4.439 -0.583 1.941) 4.880 1.653 ( -0.306 -2.624 -0.164) 2.646 1.695 ( 1.371 -0.442 -2.664) 3.028 1.882 ( -0.283 2.243 0.122) 2.264 1.963 ( -5.202 -1.776 0.750) 5.547 2.096 ( 0.008 2.061 -1.035) 2.306 2.347 ( -1.439 0.702 -1.133) 1.961 2.378 ( -0.075 -1.951 -3.916) 4.376 2.389 ( -0.273 1.352 -0.693) 1.544 2.421 ( 0.897 -1.712 3.645) 4.125 2.489 ( 2.273 -0.460 -1.263) 2.641 2.544 ( -1.432 0.686 -0.762) 1.761 2.695 ( -2.384 -3.137 0.786) 4.017 3.239 ( 2.378 7.195 3.240) 8.242 3.321 ( 2.383 6.112 2.582) 7.050 3.536 ( 1.245 0.865 0.869) 1.747 3.606 ( 0.270 1.880 0.706) 2.026 3.952 ( 0.404 0.502 0.749) 0.988 3.964 ( 1.696 1.688 0.013) 2.393 4.218 ( -1.590 -3.110 -1.385) 3.758 4.342 ( -0.998 -2.037 -1.907) 2.963 5.844 ( -0.399 -1.045 -0.926) 1.452 5.876 ( -0.024 -0.758 -0.005) 0.758 5.900 ( -0.312 0.190 0.151) 0.395 5.920 ( 0.030 -0.899 0.366) 0.971 6.375 ( -0.047 -0.324 0.128) 0.352 6.401 ( -0.089 -0.243 0.052) 0.264 6.440 ( 0.667 1.898 0.132) 2.017 6.598 ( -0.092 -0.938 -0.527) 1.080 ======================= Grid point 11 (8/136) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 15.017 -5.181 7.161) 17.426 0.528 ( 9.426 3.767 -0.360) 10.157 0.967 ( 7.482 7.014 5.416) 11.598 1.069 ( 2.236 3.806 2.116) 4.895 1.129 ( 1.761 -0.605 -0.381) 1.901 1.356 ( -2.191 -3.415 3.118) 5.117 1.471 ( -0.919 -2.164 -3.396) 4.131 1.497 ( -7.216 -2.327 1.408) 7.711 1.648 ( -0.247 -2.602 -0.303) 2.632 1.683 ( -0.914 -0.110 -2.608) 2.766 1.871 ( -0.235 -1.321 -0.765) 1.545 1.892 ( -3.961 2.343 2.447) 5.212 2.071 ( -1.130 5.307 -1.726) 5.693 2.303 ( -2.861 -0.541 -0.267) 2.924 2.360 ( 0.543 0.256 -3.347) 3.401 2.375 ( -0.524 1.305 -1.362) 1.958 2.458 ( 0.724 -1.665 2.742) 3.288 2.508 ( -0.431 -0.177 -0.393) 0.609 2.531 ( 1.441 0.861 -2.726) 3.201 2.652 ( -2.333 -2.622 0.889) 3.620 3.325 ( 3.927 1.456 5.126) 6.620 3.394 ( 3.373 1.167 4.084) 5.424 3.567 ( 1.226 0.204 1.008) 1.601 3.620 ( 0.846 1.329 0.786) 1.761 3.960 ( 0.105 0.578 1.689) 1.788 4.013 ( 2.744 1.430 0.941) 3.234 4.168 ( -2.436 -1.968 -2.650) 4.103 4.300 ( -1.829 -2.067 -3.586) 4.525 5.834 ( -0.119 -0.697 -0.868) 1.119 5.871 ( -0.428 -0.321 -0.095) 0.543 5.893 ( -0.533 0.619 -0.191) 0.840 5.919 ( -0.252 -0.594 0.253) 0.693 6.365 ( -0.866 0.290 -0.164) 0.928 6.412 ( 0.810 -0.853 0.461) 1.264 6.457 ( 0.953 1.461 0.332) 1.776 6.591 ( -0.251 -0.939 -0.858) 1.296 ======================= Grid point 12 (9/136) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 5.876 3.426 0.196) 6.805 0.749 ( 12.327 -7.105 7.494) 16.081 1.040 ( 0.827 -2.688 -0.253) 2.823 1.131 ( 0.032 2.330 2.724) 3.585 1.144 ( 0.510 -1.023 -1.244) 1.689 1.354 ( -3.787 -2.692 0.573) 4.682 1.376 ( -1.348 1.114 2.164) 2.782 1.457 ( 0.891 -0.211 -2.068) 2.262 1.640 ( -0.123 -1.929 -0.911) 2.137 1.653 ( -0.946 0.243 -0.730) 1.219 1.828 ( -3.580 3.337 1.233) 5.047 1.870 ( 0.114 -1.996 -0.300) 2.021 2.048 ( -0.506 5.181 -1.068) 5.314 2.251 ( -2.308 -0.514 0.140) 2.368 2.350 ( -0.609 1.166 -1.209) 1.787 2.368 ( 0.821 2.088 -1.713) 2.823 2.475 ( 0.123 -0.986 1.296) 1.633 2.494 ( -0.757 -0.114 0.222) 0.797 2.540 ( 0.860 0.823 -2.397) 2.676 2.623 ( -1.142 -2.134 0.286) 2.437 3.411 ( 2.416 -1.788 3.053) 4.284 3.485 ( 3.648 -2.570 4.651) 6.446 3.586 ( 0.400 -2.177 0.668) 2.311 3.635 ( 0.237 -0.671 -0.533) 0.889 3.979 ( 0.763 0.976 2.933) 3.185 4.057 ( 0.303 -1.004 0.285) 1.087 4.120 ( -0.041 0.932 -1.170) 1.497 4.238 ( -2.457 -1.582 -4.567) 5.422 5.833 ( 0.353 0.053 -0.359) 0.507 5.863 ( -0.394 -0.023 0.145) 0.421 5.878 ( -0.732 0.863 -0.571) 1.268 5.916 ( -0.188 -0.155 0.086) 0.259 6.349 ( -0.640 0.501 -0.169) 0.830 6.427 ( 0.489 -0.873 0.336) 1.055 6.477 ( 0.867 0.839 0.435) 1.282 6.582 ( -0.265 -0.927 -0.755) 1.224 ======================= Grid point 13 (10/136) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.000 3.282 -0.000) 3.282 0.961 ( 0.000 -4.637 0.000) 4.637 0.987 ( -0.000 -7.321 -0.000) 7.321 1.116 ( 0.000 -3.412 -0.000) 3.412 1.155 ( 0.000 0.524 -0.000) 0.524 1.283 ( 0.000 1.112 0.000) 1.112 1.404 ( 0.000 0.497 -0.000) 0.497 1.464 ( 0.000 0.398 0.000) 0.398 1.639 ( -0.000 -2.438 0.000) 2.438 1.642 ( 0.000 1.499 -0.000) 1.499 1.793 ( 0.000 3.927 0.000) 3.927 1.869 ( 0.000 -2.235 -0.000) 2.235 2.041 ( 0.000 4.721 -0.000) 4.721 2.229 ( 0.000 -0.286 0.000) 0.286 2.339 ( 0.000 1.087 -0.000) 1.087 2.373 ( 0.000 3.014 -0.000) 3.014 2.480 ( -0.000 -0.233 -0.000) 0.233 2.486 ( 0.000 -0.557 0.000) 0.557 2.541 ( 0.000 0.842 0.000) 0.842 2.613 ( 0.000 -2.244 -0.000) 2.244 3.441 ( 0.000 -2.178 -0.000) 2.178 3.543 ( 0.000 -3.628 -0.000) 3.628 3.594 ( 0.000 -2.448 0.000) 2.448 3.626 ( 0.000 -3.525 -0.000) 3.525 4.016 ( 0.000 0.485 -0.000) 0.485 4.024 ( 0.000 -0.294 0.000) 0.294 4.165 ( 0.000 -0.024 0.000) 0.024 4.168 ( -0.000 -0.147 -0.000) 0.147 5.838 ( 0.000 0.596 -0.000) 0.596 5.859 ( -0.000 0.131 0.000) 0.131 5.867 ( 0.000 0.743 -0.000) 0.743 5.914 ( 0.000 0.028 0.000) 0.028 6.342 ( 0.000 0.565 -0.000) 0.565 6.432 ( 0.000 -0.793 0.000) 0.793 6.487 ( 0.000 0.520 0.000) 0.520 6.576 ( 0.000 -0.921 -0.000) 0.921 ======================= Grid point 18 (11/136) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 11.819 0.000) 11.819 0.735 ( 0.000 14.708 0.000) 14.708 0.786 ( 0.000 12.473 0.000) 12.473 0.964 ( 0.000 -2.399 0.000) 2.399 1.121 ( 0.000 0.362 0.000) 0.362 1.370 ( 0.000 0.994 0.000) 0.994 1.451 ( 0.000 -5.084 0.000) 5.084 1.557 ( 0.000 -7.460 0.000) 7.460 1.624 ( 0.000 -0.424 0.000) 0.424 1.670 ( 0.000 -1.781 0.000) 1.781 1.907 ( 0.000 -0.660 0.000) 0.660 1.965 ( 0.000 -3.577 0.000) 3.577 2.122 ( 0.000 5.726 0.000) 5.726 2.345 ( 0.000 -3.990 0.000) 3.990 2.383 ( 0.000 2.361 0.000) 2.361 2.397 ( 0.000 1.368 0.000) 1.368 2.420 ( 0.000 0.871 0.000) 0.871 2.468 ( 0.000 0.094 0.000) 0.094 2.548 ( 0.000 -1.036 0.000) 1.036 2.628 ( 0.000 -5.055 0.000) 5.055 3.387 ( 0.000 7.528 0.000) 7.528 3.504 ( 0.000 10.152 0.000) 10.152 3.526 ( 0.000 -0.232 0.000) 0.232 3.647 ( 0.000 1.719 0.000) 1.719 3.964 ( 0.000 1.497 0.000) 1.497 4.012 ( 0.000 5.179 0.000) 5.179 4.142 ( 0.000 -5.630 0.000) 5.630 4.283 ( 0.000 -5.341 0.000) 5.341 5.834 ( 0.000 -0.679 0.000) 0.679 5.848 ( 0.000 -1.207 0.000) 1.207 5.900 ( 0.000 -0.253 0.000) 0.253 5.904 ( 0.000 -0.574 0.000) 0.574 6.371 ( 0.000 0.294 0.000) 0.294 6.396 ( 0.000 -0.627 0.000) 0.627 6.483 ( 0.000 2.561 0.000) 2.561 6.574 ( 0.000 -1.689 0.000) 1.689 ======================= Grid point 19 (12/136) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -2.387 14.403 -2.063) 14.745 0.576 ( 0.807 14.736 -7.446) 16.530 0.892 ( 2.081 -3.535 2.008) 4.567 1.048 ( 4.802 0.882 1.247) 5.039 1.134 ( 2.666 4.995 1.975) 5.996 1.348 ( -2.890 -0.338 1.540) 3.293 1.438 ( -0.101 -3.784 -2.813) 4.716 1.521 ( -3.307 -5.406 0.235) 6.342 1.614 ( -0.577 -0.702 -0.705) 1.151 1.676 ( 0.441 -1.804 -1.691) 2.512 1.887 ( -1.135 0.292 -0.793) 1.415 1.968 ( -0.978 -1.018 2.110) 2.539 2.144 ( 1.623 3.845 0.666) 4.227 2.320 ( -2.528 -3.115 0.742) 4.080 2.386 ( 0.144 2.249 -0.933) 2.439 2.398 ( 0.216 0.688 2.552) 2.652 2.422 ( 0.302 0.600 -1.231) 1.402 2.477 ( 0.860 -0.418 -0.037) 0.957 2.540 ( -0.490 -0.721 -0.916) 1.265 2.611 ( -1.657 -4.733 0.017) 5.014 3.389 ( 0.278 6.692 -0.224) 6.702 3.457 ( -2.005 5.428 -2.218) 6.197 3.563 ( 1.429 2.185 0.125) 2.614 3.639 ( -0.379 0.900 -1.033) 1.421 3.969 ( 0.276 1.654 0.902) 1.904 4.028 ( 1.378 4.568 0.466) 4.794 4.134 ( -0.611 -4.858 -0.684) 4.944 4.270 ( -0.807 -5.002 -1.756) 5.362 5.829 ( -0.096 -0.266 -0.421) 0.507 5.857 ( 0.438 -1.083 0.479) 1.263 5.897 ( -0.130 -0.258 0.088) 0.302 5.906 ( -0.043 -0.553 0.533) 0.769 6.374 ( 0.147 0.187 0.257) 0.350 6.393 ( -0.236 -0.520 0.066) 0.575 6.485 ( 0.233 2.352 -0.021) 2.364 6.572 ( -0.150 -1.673 -0.393) 1.725 ======================= Grid point 20 (13/136) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 6.281 11.794 0.106) 13.362 0.653 ( 6.352 7.719 -2.173) 10.230 0.931 ( 2.013 -5.829 0.434) 6.182 1.061 ( -0.364 -7.425 -3.058) 8.038 1.206 ( -1.284 4.157 2.301) 4.922 1.310 ( -0.488 -1.165 1.732) 2.143 1.436 ( 1.103 -0.126 -2.446) 2.686 1.463 ( -2.045 0.160 0.863) 2.225 1.598 ( -0.531 -1.751 -1.123) 2.147 1.660 ( -0.862 -2.092 -2.440) 3.328 1.868 ( -0.461 1.524 -0.716) 1.746 1.944 ( -2.738 1.171 2.095) 3.641 2.162 ( -0.283 3.777 0.152) 3.791 2.274 ( -2.806 -1.911 1.729) 3.810 2.388 ( 0.431 1.772 -0.206) 1.835 2.408 ( 0.025 1.839 -1.473) 2.357 2.433 ( 0.937 -0.610 2.245) 2.508 2.493 ( 0.280 -0.897 0.528) 1.078 2.532 ( 0.570 -0.770 -0.981) 1.371 2.581 ( -1.030 -4.006 -0.350) 4.151 3.390 ( -0.020 4.444 -0.720) 4.502 3.426 ( -0.255 1.950 -0.229) 1.980 3.563 ( -0.745 -0.523 -1.723) 1.948 3.625 ( -0.498 -1.248 -2.128) 2.517 3.984 ( 0.537 1.884 1.726) 2.610 4.051 ( 0.322 1.822 0.583) 1.940 4.122 ( 0.232 -1.777 -1.010) 2.057 4.238 ( -1.281 -3.927 -2.777) 4.977 5.830 ( 0.389 0.422 -0.021) 0.575 5.863 ( 0.019 -0.511 0.090) 0.520 5.898 ( -0.103 -0.063 0.427) 0.444 5.907 ( -0.081 -0.552 0.436) 0.708 6.372 ( -0.450 0.422 0.059) 0.619 6.396 ( 0.403 -0.736 0.436) 0.945 6.491 ( 0.377 1.825 0.021) 1.863 6.565 ( -0.264 -1.596 -0.643) 1.741 ======================= Grid point 21 (14/136) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 10.764 2.825 4.615) 12.047 0.750 ( 4.363 5.694 -0.885) 7.228 0.972 ( 1.910 -4.289 -0.803) 4.763 1.025 ( -1.865 -8.062 -3.208) 8.875 1.153 ( -3.050 0.145 1.415) 3.365 1.278 ( -3.875 -4.608 -0.444) 6.037 1.436 ( 0.660 3.192 0.134) 3.262 1.482 ( 1.380 2.567 -0.769) 3.014 1.586 ( -0.227 -2.815 -0.579) 2.883 1.633 ( -0.298 -2.612 -1.651) 3.104 1.860 ( 0.006 1.788 -0.962) 2.030 1.900 ( -2.778 2.224 1.739) 3.961 2.147 ( -0.867 4.273 0.093) 4.361 2.239 ( -1.863 -0.607 1.346) 2.378 2.383 ( -0.388 1.862 -1.376) 2.348 2.411 ( 0.496 1.240 0.350) 1.381 2.462 ( 0.971 0.140 1.039) 1.429 2.493 ( -0.086 0.631 1.401) 1.539 2.539 ( 0.072 -1.998 0.579) 2.081 2.575 ( 0.508 -1.699 -2.161) 2.795 3.391 ( 0.551 0.417 -0.078) 0.695 3.440 ( 0.958 -1.516 2.011) 2.695 3.534 ( -1.027 -2.544 -1.554) 3.153 3.588 ( -1.839 -3.740 -3.666) 5.551 4.005 ( 0.480 1.383 2.148) 2.600 4.042 ( -0.840 -0.502 -0.669) 1.185 4.136 ( 1.251 0.784 0.175) 1.486 4.198 ( -1.337 -2.145 -2.663) 3.672 5.842 ( 0.671 0.731 0.235) 1.020 5.862 ( -0.117 -0.088 0.112) 0.184 5.893 ( -0.499 0.526 -0.009) 0.725 5.910 ( 0.136 -0.388 0.333) 0.529 6.364 ( -0.395 0.898 -0.021) 0.982 6.407 ( 0.400 -1.089 0.392) 1.225 6.498 ( 0.342 1.213 0.094) 1.263 6.557 ( -0.256 -1.465 -0.562) 1.590 ======================= Grid point 22 (15/136) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 0.000 4.900 0.000) 4.900 0.890 ( 0.000 -1.848 0.000) 1.848 0.905 ( -0.000 -0.936 -0.000) 0.936 1.017 ( 0.000 -5.899 -0.000) 5.899 1.132 ( 0.000 -1.841 -0.000) 1.841 1.223 ( 0.000 -5.271 0.000) 5.271 1.449 ( 0.000 3.446 -0.000) 3.446 1.484 ( 0.000 1.478 -0.000) 1.478 1.583 ( 0.000 -2.889 0.000) 2.889 1.631 ( 0.000 -3.201 0.000) 3.201 1.859 ( -0.000 1.459 0.000) 1.459 1.873 ( 0.000 2.956 -0.000) 2.956 2.139 ( 0.000 4.543 -0.000) 4.543 2.224 ( 0.000 -0.147 -0.000) 0.147 2.374 ( 0.000 2.242 -0.000) 2.242 2.417 ( 0.000 0.316 -0.000) 0.316 2.471 ( -0.000 -0.789 0.000) 0.789 2.505 ( 0.000 2.940 -0.000) 2.940 2.550 ( 0.000 -3.494 0.000) 3.494 2.563 ( 0.000 1.015 -0.000) 1.015 3.400 ( 0.000 -1.389 -0.000) 1.389 3.463 ( 0.000 -3.716 -0.000) 3.716 3.530 ( -0.000 -3.294 -0.000) 3.294 3.538 ( 0.000 -4.364 0.000) 4.364 4.022 ( 0.000 0.140 -0.000) 0.140 4.025 ( 0.000 0.268 0.000) 0.268 4.163 ( 0.000 -0.144 0.000) 0.144 4.164 ( -0.000 -0.195 -0.000) 0.195 5.851 ( 0.000 0.583 -0.000) 0.583 5.861 ( 0.000 0.035 0.000) 0.035 5.886 ( 0.000 0.991 -0.000) 0.991 5.913 ( 0.000 -0.226 0.000) 0.226 6.360 ( 0.000 1.113 -0.000) 1.113 6.412 ( 0.000 -1.203 0.000) 1.203 6.502 ( 0.000 0.906 0.000) 0.906 6.552 ( 0.000 -1.384 -0.000) 1.384 ======================= Grid point 27 (16/136) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 -10.009 0.000) 10.009 0.724 ( 0.000 10.009 0.000) 10.009 0.962 ( 0.000 -6.662 0.000) 6.662 0.962 ( 0.000 6.662 0.000) 6.662 1.260 ( 0.000 -12.887 0.000) 12.887 1.260 ( 0.000 12.887 0.000) 12.887 1.430 ( 0.000 -4.405 0.000) 4.405 1.430 ( 0.000 4.405 0.000) 4.405 1.630 ( 0.000 -1.347 0.000) 1.347 1.630 ( 0.000 1.347 0.000) 1.347 1.913 ( 0.000 -1.476 0.000) 1.476 1.913 ( 0.000 1.476 0.000) 1.476 2.245 ( 0.000 -5.752 0.000) 5.752 2.245 ( 0.000 5.752 0.000) 5.752 2.418 ( 0.000 -0.462 0.000) 0.462 2.418 ( 0.000 0.462 0.000) 0.462 2.454 ( 0.000 -2.430 0.000) 2.430 2.454 ( 0.000 2.431 0.000) 2.431 2.545 ( 0.000 -1.817 0.000) 1.817 2.545 ( 0.000 1.817 0.000) 1.817 3.496 ( 0.000 -3.142 0.000) 3.142 3.496 ( 0.000 3.142 0.000) 3.142 3.642 ( 0.000 -3.059 0.000) 3.059 3.642 ( 0.000 3.059 0.000) 3.059 4.028 ( 0.000 -4.902 0.000) 4.902 4.028 ( 0.000 4.902 0.000) 4.902 4.147 ( 0.000 -7.505 0.000) 7.505 4.147 ( 0.000 7.505 0.000) 7.505 5.831 ( 0.000 -0.413 0.000) 0.413 5.831 ( 0.000 0.413 0.000) 0.413 5.897 ( 0.000 -0.055 0.000) 0.055 5.897 ( 0.000 0.055 0.000) 0.055 6.382 ( 0.000 -0.703 0.000) 0.703 6.382 ( 0.000 0.703 0.000) 0.703 6.533 ( 0.000 -2.336 0.000) 2.336 6.533 ( 0.000 2.336 0.000) 2.336 ======================= Grid point 29 (17/136) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 1.430 -9.685 -0.118) 9.790 0.738 ( 1.430 9.685 -0.118) 9.790 0.895 ( -3.448 -13.498 -5.844) 15.107 0.895 ( -3.448 13.498 -5.844) 15.107 1.288 ( 0.594 -6.139 1.889) 6.451 1.288 ( 0.594 6.139 1.889) 6.451 1.433 ( 0.766 -3.092 -0.306) 3.200 1.433 ( 0.766 3.092 -0.306) 3.200 1.628 ( -0.141 -2.159 -0.920) 2.351 1.628 ( -0.141 2.159 -0.920) 2.351 1.918 ( 0.330 -2.631 0.412) 2.683 1.918 ( 0.330 2.631 0.412) 2.683 2.239 ( -1.125 -4.727 2.154) 5.315 2.239 ( -1.125 4.727 2.154) 5.315 2.413 ( -0.294 -0.737 0.041) 0.795 2.413 ( -0.294 0.737 0.041) 0.795 2.456 ( 0.209 -2.608 0.091) 2.618 2.456 ( 0.209 2.608 0.091) 2.618 2.536 ( -0.579 -1.392 -0.867) 1.739 2.536 ( -0.579 1.392 -0.867) 1.739 3.484 ( -0.886 -2.216 -1.405) 2.769 3.484 ( -0.886 2.216 -1.405) 2.769 3.625 ( -1.099 -2.490 -2.614) 3.774 3.625 ( -1.099 2.490 -2.614) 3.774 4.030 ( 0.087 -4.321 0.488) 4.350 4.030 ( 0.087 4.321 0.488) 4.350 4.149 ( 0.350 -6.440 -0.596) 6.477 4.149 ( 0.350 6.440 -0.596) 6.477 5.836 ( 0.406 -0.866 0.358) 1.021 5.836 ( 0.406 0.866 0.358) 1.021 5.897 ( -0.065 -0.278 0.297) 0.412 5.897 ( -0.065 0.278 0.297) 0.412 6.382 ( -0.062 -0.536 0.189) 0.572 6.382 ( -0.062 0.536 0.189) 0.572 6.532 ( -0.058 -2.220 -0.220) 2.232 6.532 ( -0.058 2.220 -0.220) 2.232 ======================= Grid point 31 (18/136) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 1.546 -10.376 0.442) 10.500 0.766 ( 1.546 10.376 0.442) 10.500 0.845 ( 2.007 -11.029 -5.276) 12.389 0.845 ( 2.007 11.029 -5.276) 12.389 1.267 ( -3.273 -2.885 0.406) 4.382 1.267 ( -3.273 2.885 0.406) 4.382 1.461 ( 2.141 -1.534 -0.371) 2.660 1.461 ( 2.141 1.534 -0.371) 2.660 1.608 ( -1.203 -2.513 -1.900) 3.372 1.608 ( -1.203 2.513 -1.900) 3.372 1.921 ( -0.498 -2.843 0.334) 2.905 1.921 ( -0.498 2.843 0.334) 2.905 2.228 ( -1.491 -2.753 2.821) 4.214 2.228 ( -1.491 2.753 2.821) 4.214 2.412 ( 0.101 -0.917 -0.058) 0.924 2.412 ( 0.101 0.917 -0.058) 0.924 2.468 ( 0.760 -2.610 1.650) 3.180 2.468 ( 0.760 2.610 1.650) 3.180 2.521 ( -0.156 -0.839 -1.414) 1.652 2.521 ( -0.156 0.839 -1.414) 1.652 3.453 ( -1.332 -0.590 -2.018) 2.488 3.453 ( -1.332 0.590 -2.018) 2.488 3.576 ( -2.095 -2.554 -4.075) 5.245 3.576 ( -2.095 2.554 -4.075) 5.245 4.033 ( -0.196 -2.638 0.534) 2.699 4.033 ( -0.196 2.638 0.534) 2.699 4.154 ( 0.531 -3.938 -0.758) 4.045 4.154 ( 0.531 3.938 -0.758) 4.045 5.847 ( 0.508 -1.012 0.367) 1.190 5.847 ( 0.508 1.012 0.367) 1.190 5.898 ( -0.029 -0.256 0.538) 0.596 5.898 ( -0.029 0.256 0.538) 0.596 6.382 ( -0.020 -0.576 0.303) 0.651 6.382 ( -0.020 0.576 0.303) 0.651 6.529 ( -0.087 -1.906 -0.339) 1.937 6.529 ( -0.087 1.906 -0.339) 1.937 ======================= Grid point 33 (19/136) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 4.092 -7.806 1.853) 9.006 0.824 ( 4.092 7.806 1.853) 9.006 0.880 ( 3.113 -5.428 -3.237) 7.045 0.880 ( 3.113 5.428 -3.237) 7.045 1.189 ( -4.578 -3.513 -0.440) 5.787 1.189 ( -4.578 3.513 -0.440) 5.787 1.497 ( 1.708 -2.435 -0.119) 2.977 1.497 ( 1.708 2.435 -0.119) 2.977 1.571 ( -1.470 -2.554 -1.945) 3.531 1.571 ( -1.470 2.554 -1.945) 3.531 1.905 ( -1.116 -1.611 0.133) 1.964 1.905 ( -1.116 1.611 0.133) 1.964 2.215 ( -1.096 -2.233 1.598) 2.956 2.215 ( -1.096 2.233 1.598) 2.956 2.412 ( -0.046 -0.746 -0.391) 0.844 2.412 ( -0.046 0.746 -0.391) 0.844 2.482 ( -0.294 -2.156 0.524) 2.238 2.482 ( -0.294 2.156 0.524) 2.238 2.537 ( 1.943 -2.552 1.015) 3.364 2.537 ( 1.943 2.552 1.015) 3.364 3.419 ( -1.087 -1.291 -1.566) 2.302 3.419 ( -1.087 1.291 -1.566) 2.302 3.516 ( -1.830 -1.830 -3.189) 4.107 3.516 ( -1.830 1.830 -3.189) 4.107 4.029 ( -0.364 -0.926 0.300) 1.040 4.029 ( -0.364 0.926 0.300) 1.040 4.159 ( 0.370 -1.574 -0.500) 1.692 4.159 ( 0.370 1.574 -0.500) 1.692 5.856 ( 0.295 -0.552 0.155) 0.645 5.856 ( 0.295 0.552 0.155) 0.645 5.902 ( 0.046 -0.431 0.474) 0.642 5.902 ( 0.046 0.431 0.474) 0.642 6.384 ( 0.037 -1.096 0.241) 1.123 6.384 ( 0.037 1.096 0.241) 1.123 6.526 ( -0.069 -1.505 -0.263) 1.529 6.526 ( -0.069 1.505 -0.263) 1.529 ======================= Grid point 35 (20/136) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.000 -2.144 0.000) 2.144 0.892 ( 0.000 2.144 0.000) 2.144 0.897 ( -0.000 -4.498 -0.000) 4.498 0.897 ( -0.000 4.498 -0.000) 4.498 1.131 ( 0.000 -2.647 0.000) 2.647 1.131 ( 0.000 2.647 -0.000) 2.647 1.517 ( 0.000 -0.340 -0.000) 0.340 1.517 ( 0.000 0.340 0.000) 0.340 1.546 ( 0.000 -2.828 0.000) 2.828 1.546 ( 0.000 2.828 -0.000) 2.828 1.893 ( 0.000 -0.885 0.000) 0.885 1.893 ( 0.000 0.885 0.000) 0.885 2.208 ( 0.000 -1.967 -0.000) 1.967 2.208 ( 0.000 1.968 -0.000) 1.968 2.409 ( 0.000 -0.762 -0.000) 0.762 2.409 ( 0.000 0.762 -0.000) 0.762 2.479 ( 0.000 -2.295 0.000) 2.295 2.479 ( 0.000 2.295 0.000) 2.295 2.564 ( 0.000 -1.368 -0.000) 1.368 2.564 ( 0.000 1.368 -0.000) 1.368 3.403 ( 0.000 -1.873 -0.000) 1.873 3.403 ( 0.000 1.873 0.000) 1.873 3.489 ( 0.000 -0.073 -0.000) 0.073 3.489 ( 0.000 0.073 -0.000) 0.073 4.026 ( 0.000 -0.115 0.000) 0.115 4.026 ( 0.000 0.115 -0.000) 0.115 4.161 ( 0.000 -0.049 0.000) 0.049 4.161 ( 0.000 0.049 -0.000) 0.049 5.859 ( 0.000 -0.243 -0.000) 0.243 5.859 ( 0.000 0.243 0.000) 0.243 5.904 ( 0.000 -0.692 0.000) 0.692 5.904 ( 0.000 0.692 -0.000) 0.692 6.385 ( 0.000 -1.350 0.000) 1.350 6.385 ( 0.000 1.350 -0.000) 1.350 6.524 ( 0.000 -1.289 -0.000) 1.289 6.524 ( 0.000 1.289 0.000) 1.289 ======================= Grid point 63 (21/136) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( 4.859 0.000 13.443) 14.294 0.303 ( 5.384 0.000 15.460) 16.371 0.431 ( -1.636 0.000 21.633) 21.695 1.074 ( -0.279 0.000 2.702) 2.716 1.089 ( -0.218 0.000 3.287) 3.294 1.469 ( 2.178 0.000 -2.659) 3.438 1.529 ( 5.960 0.000 -5.581) 8.165 1.605 ( -2.145 0.000 2.733) 3.474 1.667 ( -0.047 0.000 -0.481) 0.484 1.738 ( -2.490 0.000 3.390) 4.206 1.808 ( 1.292 0.000 -1.573) 2.036 2.032 ( 0.752 0.000 -4.937) 4.994 2.070 ( -0.441 0.000 -2.178) 2.222 2.310 ( -2.874 0.000 -4.818) 5.611 2.358 ( 0.277 0.000 -0.637) 0.694 2.382 ( -0.920 0.000 -1.208) 1.518 2.417 ( -0.007 0.000 -1.327) 1.327 2.514 ( 0.546 0.000 1.797) 1.878 2.532 ( -1.559 0.000 3.086) 3.458 2.698 ( 2.711 0.000 -5.365) 6.011 3.148 ( 6.156 0.000 8.449) 10.453 3.248 ( 3.671 0.000 4.380) 5.715 3.524 ( 0.491 0.000 0.844) 0.977 3.598 ( 0.615 0.000 2.055) 2.145 3.944 ( -1.018 0.000 2.483) 2.683 3.949 ( 0.676 0.000 -0.313) 0.745 4.268 ( -1.530 0.000 -0.853) 1.752 4.344 ( -0.991 0.000 -2.993) 3.153 5.856 ( -0.673 0.000 -0.636) 0.926 5.884 ( -0.281 0.000 -1.033) 1.071 5.894 ( 0.239 0.000 -0.062) 0.247 5.928 ( 0.710 0.000 -0.280) 0.763 6.390 ( 0.426 0.000 0.004) 0.426 6.403 ( -1.029 0.000 0.453) 1.124 6.411 ( 0.676 0.000 0.789) 1.039 6.607 ( -0.536 0.000 -0.198) 0.572 ======================= Grid point 64 (22/136) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 5.220 0.000 12.093) 13.172 0.548 ( 10.962 0.000 12.285) 16.464 0.656 ( 11.827 0.000 16.077) 19.959 1.087 ( -0.011 0.000 3.122) 3.122 1.122 ( 1.324 0.000 3.756) 3.983 1.465 ( -0.581 0.000 -3.652) 3.698 1.542 ( -5.389 0.000 2.489) 5.936 1.598 ( 3.909 0.000 -4.584) 6.025 1.652 ( -1.855 0.000 1.325) 2.280 1.705 ( -2.916 0.000 1.590) 3.321 1.840 ( 2.624 0.000 -1.159) 2.869 1.971 ( -3.201 0.000 -5.798) 6.623 1.994 ( -5.359 0.000 -2.649) 5.978 2.260 ( 0.540 0.000 -4.092) 4.127 2.349 ( -1.951 0.000 -0.879) 2.140 2.357 ( -0.174 0.000 -1.596) 1.605 2.423 ( 1.880 0.000 -1.865) 2.648 2.525 ( -0.247 0.000 1.063) 1.091 2.529 ( -0.592 0.000 2.196) 2.274 2.694 ( -0.198 0.000 -4.440) 4.444 3.322 ( 6.177 0.000 9.274) 11.143 3.368 ( 5.640 0.000 6.676) 8.739 3.552 ( 1.992 0.000 1.829) 2.704 3.620 ( 0.427 0.000 2.514) 2.550 3.963 ( 0.798 0.000 0.475) 0.929 3.966 ( 1.987 0.000 2.846) 3.471 4.213 ( -3.384 0.000 -2.411) 4.155 4.297 ( -1.880 0.000 -4.734) 5.093 5.838 ( -0.726 0.000 -1.154) 1.364 5.871 ( -0.373 0.000 -1.265) 1.319 5.894 ( -0.289 0.000 0.097) 0.304 5.930 ( -0.082 0.000 -0.469) 0.476 6.382 ( -1.233 0.000 -0.001) 1.233 6.409 ( 1.515 0.000 0.320) 1.548 6.429 ( 0.545 0.000 1.333) 1.440 6.595 ( -0.535 0.000 -0.770) 0.938 ======================= Grid point 65 (23/136) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 5.656 0.000 9.346) 10.925 0.804 ( 10.337 0.000 8.367) 13.299 0.953 ( 11.235 0.000 11.012) 15.732 1.103 ( -0.126 0.000 3.049) 3.052 1.157 ( -0.166 0.000 2.707) 2.712 1.422 ( -1.336 0.000 -4.031) 4.247 1.463 ( -3.796 0.000 2.820) 4.729 1.556 ( -8.095 0.000 -1.911) 8.317 1.628 ( -0.803 0.000 -0.294) 0.855 1.666 ( 0.016 0.000 -1.239) 1.239 1.866 ( -3.388 0.000 -4.022) 5.259 1.886 ( -0.445 0.000 0.118) 0.461 1.913 ( 0.674 0.000 -5.207) 5.250 2.274 ( 2.218 0.000 -1.684) 2.785 2.305 ( -2.496 0.000 0.119) 2.498 2.336 ( -0.797 0.000 -1.768) 1.940 2.453 ( 1.942 0.000 -1.796) 2.645 2.526 ( -0.093 0.000 1.386) 1.389 2.526 ( -0.810 0.000 1.617) 1.809 2.654 ( -1.314 0.000 -3.802) 4.022 3.437 ( 2.329 0.000 3.948) 4.584 3.503 ( 4.810 0.000 5.391) 7.225 3.618 ( 2.977 0.000 3.191) 4.364 3.636 ( -0.128 0.000 1.821) 1.825 3.987 ( 1.203 0.000 1.918) 2.264 4.047 ( 4.504 0.000 4.361) 6.269 4.123 ( -4.390 0.000 -3.553) 5.647 4.226 ( -2.578 0.000 -6.085) 6.608 5.821 ( -0.324 0.000 -1.164) 1.209 5.859 ( -0.219 0.000 -0.963) 0.988 5.886 ( -0.639 0.000 0.380) 0.743 5.924 ( -0.356 0.000 -0.257) 0.439 6.359 ( -1.112 0.000 -0.047) 1.113 6.444 ( 1.824 0.000 0.355) 1.858 6.444 ( 0.230 0.000 1.469) 1.487 6.581 ( -0.308 0.000 -1.095) 1.137 ======================= Grid point 66 (24/136) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 2.783 0.000 7.952) 8.425 1.006 ( 7.025 0.000 3.460) 7.831 1.107 ( -2.604 0.000 -1.889) 3.217 1.117 ( 0.912 0.000 2.672) 2.824 1.166 ( 3.173 0.000 7.458) 8.105 1.350 ( -11.476 0.000 -3.369) 11.960 1.397 ( 0.213 0.000 -1.030) 1.052 1.448 ( 0.854 0.000 1.456) 1.688 1.609 ( -0.554 0.000 -1.321) 1.432 1.667 ( 0.212 0.000 -0.421) 0.471 1.757 ( -4.094 0.000 -4.098) 5.792 1.904 ( 0.964 0.000 0.155) 0.976 1.920 ( 2.272 0.000 -4.635) 5.162 2.263 ( -1.886 0.000 0.606) 1.981 2.318 ( 2.308 0.000 1.189) 2.597 2.322 ( 0.157 0.000 -0.555) 0.576 2.467 ( 0.584 0.000 -1.492) 1.602 2.517 ( -1.011 0.000 1.544) 1.846 2.541 ( 0.767 0.000 2.099) 2.235 2.615 ( -0.625 0.000 -3.872) 3.922 3.466 ( -0.069 0.000 -0.127) 0.145 3.581 ( 1.063 0.000 0.970) 1.439 3.629 ( -1.024 0.000 0.017) 1.024 3.664 ( 0.361 0.000 0.592) 0.693 4.008 ( -2.098 0.000 -2.518) 3.278 4.049 ( 0.436 0.000 2.718) 2.753 4.143 ( -2.353 0.000 -5.700) 6.166 4.165 ( 4.581 0.000 5.195) 6.926 5.816 ( 0.344 0.000 -0.726) 0.803 5.855 ( 0.223 0.000 -0.183) 0.289 5.877 ( -0.615 0.000 0.803) 1.012 5.917 ( -0.278 0.000 -0.077) 0.289 6.343 ( -0.602 0.000 0.088) 0.609 6.452 ( -0.185 0.000 1.363) 1.375 6.472 ( 0.870 0.000 -0.211) 0.896 6.577 ( 0.410 0.000 -0.710) 0.819 ======================= Grid point 67 (25/136) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -2.572 0.000 7.907) 8.314 0.999 ( -5.714 0.000 -5.352) 7.828 1.027 ( -4.694 0.000 -2.392) 5.268 1.131 ( -8.374 0.000 -1.979) 8.605 1.226 ( 7.299 0.000 1.638) 7.480 1.227 ( -0.005 0.000 4.454) 4.454 1.389 ( -1.130 0.000 -1.179) 1.633 1.485 ( 1.384 0.000 2.384) 2.757 1.598 ( 0.693 0.000 -2.388) 2.486 1.668 ( 0.060 0.000 0.176) 0.186 1.692 ( 0.040 0.000 -4.897) 4.897 1.931 ( 1.511 0.000 1.509) 2.136 1.935 ( 1.605 0.000 -3.856) 4.177 2.250 ( 0.107 0.000 1.496) 1.500 2.334 ( 0.950 0.000 0.644) 1.147 2.368 ( 1.967 0.000 2.212) 2.960 2.464 ( 0.123 0.000 -1.810) 1.814 2.509 ( -0.866 0.000 2.170) 2.337 2.574 ( 0.905 0.000 3.725) 3.834 2.591 ( 0.437 0.000 -4.459) 4.480 3.433 ( -2.586 0.000 -3.599) 4.432 3.529 ( -4.518 0.000 -5.500) 7.117 3.617 ( -0.661 0.000 -0.383) 0.764 3.635 ( -2.480 0.000 -2.658) 3.635 3.948 ( -1.449 0.000 -2.551) 2.933 4.079 ( -1.649 0.000 -3.369) 3.751 4.112 ( 2.623 0.000 4.801) 5.471 4.268 ( 3.273 0.000 4.599) 5.645 5.825 ( 0.870 0.000 -0.270) 0.911 5.865 ( 0.622 0.000 0.560) 0.837 5.873 ( -0.355 0.000 1.213) 1.264 5.914 ( -0.006 0.000 -0.031) 0.031 6.340 ( 0.142 0.000 0.324) 0.354 6.452 ( -0.560 0.000 1.098) 1.232 6.471 ( -0.491 0.000 -1.060) 1.168 6.589 ( 0.899 0.000 0.166) 0.914 ======================= Grid point 68 (26/136) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -8.579 0.000 7.050) 11.104 0.821 ( -12.753 0.000 -3.906) 13.338 0.841 ( -8.457 0.000 -5.212) 9.934 1.063 ( -1.109 0.000 0.158) 1.120 1.219 ( -2.696 0.000 1.951) 3.328 1.344 ( 5.133 0.000 -2.634) 5.769 1.359 ( -0.827 0.000 -0.193) 0.849 1.524 ( 1.397 0.000 3.556) 3.821 1.622 ( 3.250 0.000 -2.573) 4.146 1.678 ( 1.016 0.000 1.034) 1.449 1.708 ( 4.358 0.000 -5.547) 7.055 1.939 ( 0.858 0.000 -2.661) 2.796 1.967 ( 1.065 0.000 2.225) 2.466 2.282 ( 2.152 0.000 1.662) 2.719 2.355 ( 0.769 0.000 0.539) 0.939 2.409 ( 1.308 0.000 1.204) 1.778 2.456 ( 0.247 0.000 -2.465) 2.478 2.510 ( -0.652 0.000 4.045) 4.097 2.586 ( 1.791 0.000 -5.037) 5.346 2.606 ( -0.284 0.000 5.190) 5.198 3.322 ( -6.088 0.000 -7.719) 9.831 3.389 ( -6.005 0.000 -7.826) 9.864 3.573 ( -2.184 0.000 -2.237) 3.126 3.596 ( -0.956 0.000 -0.969) 1.361 3.929 ( 0.224 0.000 -1.347) 1.365 4.042 ( -1.554 0.000 -0.412) 1.607 4.184 ( 2.528 0.000 3.880) 4.631 4.332 ( 1.684 0.000 2.731) 3.208 5.842 ( 1.035 0.000 -0.129) 1.043 5.876 ( -0.132 0.000 1.315) 1.322 5.881 ( 0.603 0.000 0.709) 0.930 5.916 ( 0.320 0.000 -0.149) 0.353 6.351 ( 0.736 0.000 0.548) 0.917 6.444 ( -0.762 0.000 0.814) 1.115 6.448 ( -1.207 0.000 -1.250) 1.737 6.606 ( 0.635 0.000 0.588) 0.865 ======================= Grid point 69 (27/136) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -12.756 0.000 0.880) 12.787 0.552 ( -14.220 0.000 -1.869) 14.342 0.645 ( -11.940 0.000 5.057) 12.966 1.058 ( -0.168 0.000 1.635) 1.644 1.159 ( -4.227 0.000 1.745) 4.573 1.371 ( 2.204 0.000 -0.923) 2.389 1.398 ( 4.032 0.000 -6.011) 7.238 1.572 ( 1.425 0.000 3.595) 3.867 1.654 ( 1.401 0.000 -2.152) 2.568 1.732 ( 2.841 0.000 1.855) 3.393 1.770 ( 4.581 0.000 -5.347) 7.041 1.951 ( 2.357 0.000 -2.223) 3.240 1.997 ( 1.232 0.000 2.298) 2.607 2.335 ( 2.239 0.000 1.660) 2.788 2.365 ( 0.178 0.000 -0.022) 0.180 2.421 ( 0.274 0.000 -2.209) 2.225 2.443 ( -0.093 0.000 -3.587) 3.589 2.531 ( -0.435 0.000 7.166) 7.179 2.604 ( -3.076 0.000 4.643) 5.570 2.608 ( 3.626 0.000 -5.460) 6.554 3.155 ( -6.314 0.000 -7.755) 10.001 3.254 ( -3.947 0.000 -5.762) 6.984 3.535 ( -1.104 0.000 -0.736) 1.327 3.579 ( -0.357 0.000 -0.391) 0.530 3.933 ( 0.660 0.000 -0.934) 1.143 4.008 ( -2.437 0.000 1.384) 2.802 4.243 ( 1.867 0.000 2.464) 3.091 4.362 ( 0.642 0.000 0.730) 0.972 5.859 ( 0.794 0.000 -0.078) 0.798 5.880 ( 0.022 0.000 0.840) 0.840 5.891 ( 0.239 0.000 0.207) 0.316 5.922 ( 0.417 0.000 -0.505) 0.656 6.370 ( 0.928 0.000 0.707) 1.166 6.417 ( -1.299 0.000 -0.945) 1.606 6.433 ( -0.813 0.000 0.574) 0.996 6.617 ( 0.211 0.000 0.577) 0.614 ======================= Grid point 70 (28/136) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -12.124 0.000 3.123) 12.519 0.305 ( -11.617 0.000 5.774) 12.973 0.475 ( -11.757 0.000 16.112) 19.945 1.066 ( -0.261 0.000 2.453) 2.467 1.102 ( -2.772 0.000 2.370) 3.647 1.417 ( 3.416 0.000 -1.605) 3.774 1.451 ( 5.520 0.000 -6.514) 8.538 1.601 ( -0.301 0.000 3.308) 3.322 1.664 ( 0.745 0.000 -1.265) 1.468 1.759 ( -1.102 0.000 2.633) 2.854 1.801 ( 1.432 0.000 -3.303) 3.600 2.003 ( 4.130 0.000 -3.673) 5.527 2.043 ( 2.610 0.000 0.233) 2.621 2.363 ( -0.365 0.000 -0.174) 0.405 2.365 ( -0.355 0.000 0.367) 0.510 2.400 ( -0.325 0.000 -3.720) 3.734 2.411 ( -0.571 0.000 -2.512) 2.576 2.545 ( -4.739 0.000 2.559) 5.385 2.549 ( -2.000 0.000 5.838) 6.171 2.657 ( 4.531 0.000 -5.795) 7.356 3.060 ( -0.246 0.000 -0.228) 0.335 3.200 ( 0.083 0.000 -0.511) 0.517 3.521 ( -0.358 0.000 0.236) 0.429 3.580 ( 0.314 0.000 0.873) 0.928 3.940 ( 0.636 0.000 -0.704) 0.948 3.969 ( -2.676 0.000 2.253) 3.499 4.275 ( 0.603 0.000 0.997) 1.165 4.366 ( -0.143 0.000 -1.169) 1.178 5.866 ( -0.128 0.000 -0.017) 0.130 5.887 ( 0.447 0.000 0.033) 0.449 5.892 ( -0.100 0.000 -0.482) 0.493 5.921 ( -0.096 0.000 -0.803) 0.809 6.391 ( 0.830 0.000 0.913) 1.234 6.394 ( -0.706 0.000 -0.461) 0.843 6.420 ( -0.867 0.000 0.310) 0.920 6.618 ( -0.345 0.000 0.047) 0.349 ======================= Grid point 71 (29/136) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -10.635 12.961 2.451) 16.944 0.413 ( -2.859 7.408 12.805) 15.067 0.668 ( 7.866 15.758 14.680) 22.928 1.068 ( -0.529 -1.783 2.939) 3.478 1.116 ( -0.530 1.889 2.139) 2.903 1.385 ( 2.651 -4.643 -2.678) 5.980 1.529 ( 0.362 -1.740 -0.544) 1.859 1.609 ( 0.073 0.583 -0.531) 0.792 1.650 ( 0.728 -2.290 -1.171) 2.673 1.707 ( -2.847 -2.538 1.459) 4.084 1.864 ( 0.894 3.310 -1.637) 3.799 2.017 ( 3.354 -1.240 -4.811) 5.995 2.040 ( -2.561 -1.922 -1.113) 3.390 2.304 ( -0.173 0.234 -4.053) 4.063 2.368 ( 0.320 -0.847 -1.329) 1.608 2.394 ( -1.461 1.514 0.062) 2.105 2.447 ( -0.246 2.078 -0.520) 2.156 2.483 ( -0.896 -1.564 3.342) 3.797 2.555 ( -0.766 -0.136 0.083) 0.783 2.668 ( 2.238 -2.836 -4.861) 6.057 3.247 ( 2.259 7.802 3.860) 8.993 3.309 ( 2.393 5.987 2.326) 6.854 3.532 ( 0.536 0.629 0.989) 1.289 3.617 ( 0.217 1.551 1.511) 2.176 3.950 ( 0.733 0.193 -0.122) 0.768 3.965 ( -0.626 1.972 2.233) 3.044 4.229 ( -1.222 -3.517 -0.829) 3.815 4.328 ( -1.156 -1.899 -2.882) 3.640 5.842 ( -0.730 -1.106 -0.912) 1.609 5.871 ( 0.221 -0.706 -0.332) 0.811 5.901 ( 0.213 -0.053 -0.189) 0.290 5.921 ( 0.299 -0.323 0.228) 0.495 6.375 ( 0.231 -0.534 0.225) 0.624 6.406 ( -0.185 -0.296 -0.014) 0.349 6.439 ( 0.054 2.138 0.671) 2.242 6.598 ( -0.466 -0.884 -0.223) 1.024 ======================= Grid point 72 (30/136) ======================= q-point: ( 0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 9.608 -4.392 14.367) 17.833 0.475 ( 2.574 4.507 11.835) 12.923 0.906 ( 9.394 12.186 9.405) 18.033 1.082 ( 0.397 -0.216 3.494) 3.523 1.131 ( 0.419 0.424 3.049) 3.106 1.399 ( 0.648 -4.542 -2.653) 5.299 1.490 ( -4.413 -3.397 0.996) 5.658 1.607 ( -0.253 -1.101 -2.102) 2.386 1.644 ( -2.501 -5.168 -0.914) 5.813 1.651 ( -1.307 -0.548 -0.909) 1.684 1.858 ( -0.591 -0.225 -2.265) 2.352 1.966 ( -2.040 3.432 -0.646) 4.044 2.037 ( -0.214 1.542 -4.779) 5.026 2.297 ( 1.117 2.968 -2.327) 3.933 2.346 ( -1.718 -0.382 -0.950) 2.000 2.369 ( -0.998 0.985 -1.162) 1.821 2.451 ( 1.316 2.297 -1.620) 3.104 2.491 ( -0.100 -1.715 2.689) 3.191 2.540 ( -0.881 -0.245 0.454) 1.021 2.661 ( -0.301 -3.161 -4.160) 5.233 3.332 ( 3.559 1.406 5.937) 7.064 3.386 ( 3.656 1.705 4.310) 5.904 3.557 ( 1.399 0.228 1.133) 1.815 3.627 ( 0.003 0.233 1.291) 1.312 3.965 ( 0.928 0.315 0.493) 1.096 3.992 ( 1.981 2.400 2.992) 4.317 4.184 ( -2.761 -2.728 -2.167) 4.445 4.279 ( -1.932 -1.888 -4.537) 5.280 5.826 ( -0.406 -0.663 -0.881) 1.175 5.870 ( -0.067 -0.231 -0.552) 0.602 5.900 ( -0.248 0.382 -0.122) 0.471 5.924 ( -0.038 -0.465 -0.019) 0.467 6.379 ( -0.438 -0.179 0.097) 0.483 6.405 ( 0.551 -0.331 0.360) 0.737 6.449 ( 0.556 1.630 0.899) 1.943 6.587 ( -0.520 -0.824 -0.717) 1.209 ======================= Grid point 73 (31/136) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 5.447 2.878 7.964) 10.068 0.640 ( 12.289 -7.863 12.618) 19.290 1.056 ( 1.665 -1.431 4.239) 4.773 1.133 ( 1.151 2.631 2.813) 4.020 1.155 ( 2.082 3.299 3.579) 5.294 1.391 ( 0.034 -2.273 -4.316) 4.878 1.416 ( -2.707 -3.680 3.192) 5.573 1.510 ( -7.634 -3.598 -0.751) 8.473 1.624 ( -0.667 -1.937 -2.210) 3.014 1.634 ( 0.911 -1.400 -1.923) 2.548 1.833 ( -0.657 -1.014 -2.706) 2.964 1.923 ( -3.233 3.039 -0.036) 4.437 2.006 ( 0.613 5.864 -4.568) 7.459 2.303 ( -2.432 -0.177 -0.683) 2.533 2.319 ( 1.904 3.810 -0.592) 4.300 2.343 ( -0.820 0.781 -1.147) 1.612 2.466 ( 1.058 1.238 -2.077) 2.639 2.504 ( 0.028 -1.165 1.716) 2.074 2.533 ( -0.237 -0.078 1.586) 1.606 2.624 ( -1.112 -2.970 -3.750) 4.911 3.415 ( 2.085 -1.859 3.775) 4.696 3.481 ( 3.670 -1.735 4.617) 6.148 3.588 ( 1.072 -2.480 1.376) 3.032 3.629 ( -0.253 -1.317 -0.144) 1.348 3.992 ( 1.370 0.508 1.669) 2.218 4.060 ( 2.684 1.053 3.731) 4.715 4.111 ( -2.749 -0.975 -3.000) 4.185 4.213 ( -2.193 -1.205 -5.256) 5.822 5.820 ( 0.164 0.152 -0.498) 0.546 5.865 ( -0.141 0.249 -0.616) 0.679 5.891 ( -0.690 0.559 0.114) 0.895 5.921 ( -0.218 -0.275 -0.085) 0.361 6.363 ( -0.939 0.372 -0.033) 1.011 6.425 ( 0.907 -0.881 0.903) 1.554 6.466 ( 0.770 1.211 0.721) 1.606 6.573 ( -0.320 -0.764 -0.991) 1.292 ======================= Grid point 74 (32/136) ======================= q-point: ( 0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 2.951 2.177 7.009) 7.911 0.901 ( 9.452 -6.350 7.105) 13.422 1.038 ( -5.172 -3.555 0.144) 6.278 1.126 ( 0.084 -2.572 0.936) 2.738 1.209 ( -0.605 0.941 3.950) 4.105 1.349 ( -6.819 -1.126 -1.458) 7.063 1.384 ( 0.267 0.234 -1.210) 1.261 1.436 ( 2.002 -0.567 0.332) 2.107 1.602 ( 0.133 -1.198 -2.347) 2.639 1.652 ( 1.100 -1.177 0.114) 1.615 1.787 ( -2.482 1.983 -3.563) 4.774 1.876 ( -0.823 0.417 -1.280) 1.578 2.006 ( 1.209 5.393 -2.603) 6.109 2.253 ( -2.144 -0.713 -0.872) 2.422 2.332 ( 0.217 1.296 0.291) 1.346 2.357 ( 1.726 3.111 0.642) 3.615 2.466 ( 0.119 0.023 -1.739) 1.743 2.502 ( -0.715 -0.989 0.788) 1.453 2.556 ( 0.978 0.925 3.072) 3.354 2.590 ( -0.183 -2.276 -3.439) 4.128 3.444 ( -0.109 -1.894 0.248) 1.913 3.544 ( 0.487 -3.413 0.844) 3.549 3.596 ( -0.931 -2.954 -0.926) 3.232 3.628 ( 0.867 -3.441 1.390) 3.811 4.009 ( -1.988 0.048 -2.633) 3.300 4.044 ( 0.446 -0.332 2.293) 2.359 4.148 ( -1.457 0.315 -4.113) 4.374 4.162 ( 3.529 -0.205 3.858) 5.233 5.824 ( 0.415 0.723 -0.510) 0.977 5.863 ( 0.265 0.542 -0.106) 0.612 5.878 ( -0.801 0.237 0.467) 0.957 5.917 ( -0.161 0.030 0.083) 0.183 6.349 ( -0.555 0.585 0.150) 0.820 6.440 ( 0.077 -0.948 0.960) 1.351 6.482 ( 0.475 0.763 0.122) 0.907 6.568 ( 0.332 -0.780 -0.619) 1.049 ======================= Grid point 75 (33/136) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.701 2.178 6.808) 7.348 0.881 ( -10.142 -4.552 -3.060) 11.530 1.043 ( 3.132 -1.774 0.899) 3.710 1.138 ( -3.135 -2.507 1.497) 4.284 1.200 ( -0.027 -1.304 5.248) 5.407 1.267 ( 0.789 1.822 -1.647) 2.580 1.372 ( -1.557 0.145 -2.850) 3.251 1.477 ( 1.451 -0.309 1.399) 2.039 1.605 ( 1.398 -1.169 -2.349) 2.973 1.661 ( -0.157 0.223 0.219) 0.350 1.742 ( 0.544 4.190 -3.462) 5.462 1.870 ( 0.564 -1.922 -1.293) 2.384 2.022 ( 1.649 4.649 -1.272) 5.094 2.228 ( 0.093 -1.691 -0.399) 1.740 2.349 ( 0.986 1.309 1.386) 2.146 2.385 ( 0.807 1.459 0.929) 1.909 2.456 ( -0.059 -0.456 -1.852) 1.908 2.495 ( -0.463 -0.906 0.873) 1.341 2.560 ( 0.188 -1.953 -3.051) 3.628 2.611 ( 1.185 1.731 3.972) 4.492 3.416 ( -2.241 -1.205 -2.496) 3.564 3.487 ( -3.879 -3.504 -5.220) 7.387 3.586 ( -0.258 -1.838 -0.217) 1.869 3.648 ( -0.035 -0.499 0.968) 1.090 3.956 ( -1.323 0.771 -2.681) 3.088 4.065 ( -0.470 -0.842 0.036) 0.965 4.125 ( 0.970 0.739 0.733) 1.424 4.248 ( 2.973 -1.754 4.130) 5.382 5.828 ( 0.394 0.350 -0.587) 0.789 5.868 ( -0.310 0.149 0.531) 0.632 5.875 ( 0.561 0.337 0.808) 1.040 5.915 ( -0.138 0.057 0.032) 0.153 6.346 ( 0.098 0.611 0.380) 0.727 6.439 ( -0.601 -0.997 0.544) 1.285 6.481 ( -0.364 0.794 -0.436) 0.976 6.579 ( 0.815 -0.905 0.194) 1.233 ======================= Grid point 76 (34/136) ======================= q-point: (-0.38 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -13.472 -3.923 -1.603) 14.123 0.739 ( -6.334 3.157 7.656) 10.426 1.043 ( -6.186 5.857 -2.514) 8.882 1.070 ( 0.254 1.732 0.351) 1.785 1.204 ( -2.425 -1.710 3.053) 4.257 1.308 ( -1.563 -0.431 -3.670) 4.012 1.353 ( 5.822 -1.400 0.350) 5.998 1.502 ( 0.580 -1.290 2.527) 2.896 1.622 ( 1.547 -1.632 -2.267) 3.193 1.671 ( 1.639 0.832 -0.091) 1.840 1.767 ( 3.553 4.272 -3.414) 6.522 1.875 ( 0.448 -2.629 -0.758) 2.773 2.051 ( 1.776 4.444 -0.419) 4.804 2.252 ( 2.431 -2.414 -0.097) 3.428 2.375 ( 0.869 1.363 1.090) 1.950 2.399 ( 0.226 -0.348 0.803) 0.904 2.445 ( -0.216 -1.135 -0.952) 1.497 2.497 ( 0.207 -0.446 1.078) 1.184 2.556 ( 1.481 -1.838 -3.698) 4.388 2.636 ( -1.133 0.529 3.859) 4.057 3.331 ( -4.197 1.715 -5.137) 6.852 3.396 ( -2.925 0.824 -4.048) 5.062 3.573 ( -0.806 0.289 -0.750) 1.138 3.633 ( -1.425 2.158 -0.671) 2.672 3.934 ( 0.036 0.587 -1.638) 1.740 4.045 ( -1.188 0.383 -0.245) 1.272 4.166 ( 1.845 -1.617 2.751) 3.686 4.311 ( 1.783 -2.110 2.806) 3.938 5.835 ( 0.570 -0.455 -0.035) 0.731 5.869 ( 0.074 -0.215 0.774) 0.807 5.890 ( 0.380 0.296 0.461) 0.667 5.912 ( -0.028 -0.357 -0.313) 0.475 6.356 ( 0.611 0.441 0.509) 0.910 6.425 ( -0.994 -1.056 -0.050) 1.451 6.469 ( -0.723 1.216 -0.262) 1.439 6.595 ( 0.588 -1.016 0.565) 1.303 ======================= Grid point 77 (35/136) ======================= q-point: (-0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -11.125 1.598 5.225) 12.395 0.639 ( -8.974 5.382 9.490) 14.126 0.861 ( -11.390 12.949 -4.502) 17.824 1.072 ( -0.611 0.833 2.151) 2.386 1.160 ( -3.255 -0.191 2.411) 4.055 1.295 ( 2.049 -2.846 -3.288) 4.807 1.446 ( 4.294 0.951 -2.279) 4.954 1.545 ( 2.395 -2.959 3.316) 5.049 1.635 ( 0.966 -1.869 -1.526) 2.600 1.715 ( 2.428 -0.542 0.258) 2.501 1.818 ( 3.603 3.686 -3.793) 6.400 1.883 ( 1.276 -2.815 -0.513) 3.134 2.079 ( 1.388 4.044 -0.565) 4.312 2.305 ( 3.009 -2.409 -0.316) 3.867 2.377 ( -0.691 -1.086 -2.473) 2.788 2.403 ( 0.214 1.343 0.402) 1.418 2.448 ( -0.006 -1.562 2.855) 3.254 2.511 ( 0.327 -0.703 1.253) 1.474 2.573 ( 1.040 -1.784 -1.908) 2.811 2.611 ( -1.205 -1.395 -0.573) 1.930 3.243 ( -2.437 7.729 -2.819) 8.580 3.326 ( -2.504 6.153 -3.124) 7.341 3.550 ( -1.233 1.351 -0.648) 1.940 3.607 ( -0.648 2.395 -0.384) 2.511 3.933 ( 0.555 0.207 -1.040) 1.197 4.018 ( -2.061 0.985 1.094) 2.533 4.212 ( 1.503 -2.935 1.978) 3.845 4.344 ( 0.770 -1.941 0.961) 2.299 5.847 ( 0.593 -0.966 0.446) 1.218 5.875 ( -0.005 -0.459 0.354) 0.579 5.892 ( 0.075 -0.080 -0.343) 0.360 5.913 ( 0.218 -0.700 -0.304) 0.793 6.371 ( 0.592 0.024 0.424) 0.729 6.406 ( -0.779 -0.707 -0.218) 1.074 6.454 ( -0.757 1.572 0.077) 1.747 6.605 ( 0.155 -1.080 0.519) 1.208 ======================= Grid point 78 (36/136) ======================= q-point: (-0.12 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 0.940 11.638 11.973) 16.724 0.517 ( -9.508 11.584 5.066) 15.820 0.612 ( -12.187 13.408 5.247) 18.864 1.069 ( -1.093 -1.462 2.689) 3.250 1.126 ( -1.634 1.767 2.024) 3.144 1.335 ( 3.788 -3.437 -2.919) 5.889 1.500 ( 3.148 0.742 -2.608) 4.154 1.598 ( 1.135 -0.790 2.073) 2.492 1.642 ( 0.640 -2.266 -1.183) 2.635 1.736 ( -0.892 -1.674 1.381) 2.346 1.851 ( 1.847 3.816 -2.696) 5.024 1.937 ( 5.209 -3.710 -2.166) 6.752 2.086 ( -0.440 1.553 -1.530) 2.224 2.339 ( -1.032 -1.627 -3.513) 4.007 2.350 ( 1.991 -1.815 -1.140) 2.925 2.409 ( -0.166 1.696 0.605) 1.808 2.459 ( -0.640 -0.038 1.501) 1.632 2.498 ( -2.405 -2.204 1.887) 3.769 2.561 ( -0.371 -0.124 1.207) 1.269 2.635 ( 3.776 -2.117 -5.039) 6.643 3.215 ( -0.043 10.914 0.589) 10.930 3.285 ( -0.324 8.379 -0.969) 8.442 3.529 ( -0.650 0.755 0.249) 1.027 3.606 ( 0.216 2.226 0.787) 2.371 3.940 ( 0.603 0.081 -0.647) 0.888 3.983 ( -2.243 1.443 1.886) 3.266 4.237 ( 0.369 -3.529 0.639) 3.605 4.350 ( -0.145 -1.834 -0.970) 2.079 5.856 ( -0.179 -0.939 0.175) 0.971 5.869 ( -0.057 -1.141 -0.644) 1.312 5.896 ( 0.401 -0.039 -0.215) 0.457 5.915 ( 0.178 -0.454 -0.025) 0.489 6.375 ( -0.172 -0.574 0.049) 0.601 6.402 ( 0.307 -0.188 0.187) 0.406 6.442 ( -0.600 1.932 0.291) 2.044 6.606 ( -0.277 -1.038 0.195) 1.091 ======================= Grid point 79 (37/136) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -3.316 10.335 6.711) 12.761 0.628 ( -10.205 15.776 -2.731) 18.987 0.927 ( 1.329 2.667 7.032) 7.637 1.025 ( 2.732 2.269 6.338) 7.265 1.130 ( -0.277 0.521 1.013) 1.172 1.348 ( 1.407 1.272 -1.759) 2.586 1.470 ( -2.216 -4.213 1.382) 4.957 1.548 ( -0.065 -7.597 -0.981) 7.661 1.606 ( -0.322 -0.557 -1.589) 1.714 1.654 ( -1.359 -2.513 -1.616) 3.282 1.880 ( -0.476 -0.221 -2.376) 2.433 1.956 ( 3.180 -3.603 -1.445) 5.019 2.103 ( 1.247 6.572 -1.668) 6.894 2.325 ( 1.229 -1.296 -1.677) 2.450 2.365 ( 1.009 2.507 -1.372) 3.030 2.415 ( -1.178 0.756 -0.076) 1.402 2.441 ( -0.319 -1.504 3.311) 3.651 2.478 ( -0.293 0.352 0.724) 0.857 2.538 ( -0.503 -1.111 -0.723) 1.418 2.592 ( 1.046 -4.247 -3.576) 5.649 3.399 ( -0.507 6.585 1.148) 6.703 3.467 ( -2.415 7.551 -2.478) 8.306 3.546 ( 0.942 0.964 0.879) 1.609 3.641 ( -1.030 0.390 -0.457) 1.193 3.964 ( 0.827 1.550 -0.081) 1.758 4.030 ( 0.008 4.536 1.790) 4.876 4.136 ( -0.554 -5.406 -0.585) 5.466 4.260 ( -1.113 -4.832 -2.352) 5.488 5.826 ( -0.278 -0.282 -0.545) 0.674 5.854 ( 0.487 -1.035 0.337) 1.192 5.895 ( 0.261 -0.177 -0.151) 0.350 5.913 ( 0.164 -0.567 0.552) 0.808 6.373 ( 0.262 0.237 0.132) 0.377 6.396 ( 0.026 -0.621 -0.007) 0.621 6.485 ( -0.084 2.387 0.295) 2.407 6.572 ( -0.345 -1.666 -0.223) 1.716 ======================= Grid point 80 (38/136) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -1.832 14.870 2.874) 15.256 0.608 ( 1.134 8.121 7.312) 10.987 0.952 ( -0.235 -5.692 4.062) 6.997 1.064 ( -1.686 -7.371 0.771) 7.601 1.208 ( 5.397 8.855 4.745) 11.404 1.356 ( 0.797 0.881 -1.994) 2.321 1.406 ( -4.725 -4.248 1.245) 6.475 1.519 ( -2.228 -5.498 -0.459) 5.951 1.581 ( -0.751 -1.211 -2.500) 2.878 1.631 ( -0.364 -1.597 -2.877) 3.311 1.858 ( -0.446 1.077 -2.189) 2.480 1.984 ( 0.129 -2.844 -0.985) 3.013 2.126 ( 1.743 7.212 -2.126) 7.718 2.326 ( -0.697 -1.418 -0.744) 1.746 2.371 ( 0.784 3.719 -0.404) 3.822 2.390 ( -0.944 1.145 -1.088) 1.840 2.459 ( 0.122 -1.552 2.861) 3.257 2.488 ( 1.013 0.861 0.990) 1.658 2.524 ( -0.509 -0.983 -0.160) 1.119 2.576 ( -0.602 -4.727 -3.501) 5.913 3.393 ( -0.738 4.354 0.210) 4.422 3.432 ( -0.254 2.546 0.277) 2.574 3.553 ( -0.294 -0.595 -0.973) 1.177 3.614 ( -1.270 -1.816 -1.687) 2.785 3.983 ( 1.089 1.585 0.527) 1.994 4.056 ( 1.311 3.635 2.191) 4.442 4.113 ( -1.239 -3.864 -1.401) 4.293 4.221 ( -1.326 -3.703 -3.230) 5.089 5.823 ( 0.225 0.505 -0.112) 0.564 5.862 ( 0.225 -0.627 0.056) 0.669 5.901 ( 0.296 -0.131 0.247) 0.407 5.915 ( -0.179 -0.467 0.315) 0.591 6.379 ( 0.084 0.210 0.165) 0.280 6.396 ( 0.163 -0.492 0.305) 0.601 6.487 ( 0.132 2.007 0.342) 2.040 6.563 ( -0.431 -1.493 -0.550) 1.648 ======================= Grid point 81 (39/136) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 8.870 4.540 8.845) 13.324 0.697 ( 4.043 5.893 5.798) 9.203 0.977 ( 0.568 -5.800 4.011) 7.074 1.025 ( -1.892 -9.607 -0.772) 9.822 1.255 ( -3.331 1.785 2.718) 4.655 1.344 ( -2.713 -2.667 1.723) 4.177 1.386 ( 3.604 1.895 -2.118) 4.589 1.469 ( -2.401 0.042 -0.393) 2.433 1.562 ( 0.227 -2.967 -2.421) 3.836 1.604 ( -0.396 -2.114 -3.147) 3.812 1.843 ( -0.075 2.157 -1.900) 2.876 1.956 ( -2.105 -0.556 -1.376) 2.576 2.131 ( 0.212 6.407 -2.651) 6.936 2.294 ( -2.244 -0.950 -0.814) 2.569 2.369 ( -0.520 1.700 -0.563) 1.865 2.395 ( 1.242 2.831 -0.107) 3.094 2.469 ( -0.017 -1.005 1.006) 1.422 2.511 ( 0.241 1.463 0.809) 1.689 2.533 ( 1.254 -0.046 0.859) 1.521 2.545 ( -0.435 -3.837 -2.348) 4.519 3.389 ( 0.267 0.024 0.983) 1.018 3.450 ( 1.000 -1.156 2.161) 2.647 3.533 ( -0.799 -2.551 -1.072) 2.880 3.573 ( -1.770 -3.941 -3.207) 5.380 4.007 ( 1.100 0.999 0.800) 1.688 4.063 ( -1.866 -1.229 -0.649) 2.326 4.110 ( 1.949 1.324 0.947) 2.539 4.182 ( -1.013 -1.771 -2.915) 3.559 5.832 ( 0.571 0.945 0.156) 1.115 5.864 ( 0.060 -0.273 -0.045) 0.283 5.903 ( -0.415 0.433 0.119) 0.612 5.914 ( 0.033 -0.363 0.276) 0.458 6.374 ( -0.492 0.683 0.127) 0.852 6.408 ( 0.535 -0.880 0.755) 1.277 6.493 ( 0.292 1.430 0.302) 1.490 6.552 ( -0.299 -1.293 -0.691) 1.496 ======================= Grid point 82 (40/136) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.694 4.208 4.858) 6.969 0.821 ( 8.895 -0.856 7.124) 11.428 0.974 ( -3.068 -3.342 1.984) 4.951 1.027 ( 1.691 -6.177 2.768) 6.977 1.185 ( -4.296 -1.546 1.777) 4.900 1.284 ( -4.384 -4.329 1.325) 6.302 1.425 ( 1.000 2.889 -0.811) 3.163 1.452 ( 1.578 1.980 -2.058) 3.263 1.558 ( 0.519 -2.729 -2.398) 3.670 1.605 ( 1.678 -3.719 -1.182) 4.248 1.832 ( -0.014 2.898 -1.826) 3.425 1.906 ( -2.068 0.997 -1.605) 2.801 2.117 ( 0.021 5.224 -2.487) 5.786 2.240 ( -2.406 -0.684 -1.974) 3.186 2.366 ( 0.296 1.984 0.224) 2.018 2.408 ( 0.366 0.931 -0.456) 1.099 2.472 ( 0.073 -0.723 0.295) 0.784 2.508 ( -0.784 3.399 -1.090) 3.655 2.517 ( 0.065 -3.777 -3.567) 5.196 2.586 ( 1.755 0.997 4.520) 4.950 3.405 ( 0.341 -1.527 1.234) 1.992 3.462 ( -0.859 -4.115 -1.180) 4.366 3.526 ( -0.678 -3.348 -1.176) 3.613 3.544 ( 1.608 -3.990 2.625) 5.039 4.013 ( -1.206 0.385 -1.885) 2.271 4.037 ( 0.207 -0.508 0.919) 1.070 4.152 ( -0.006 0.149 -1.420) 1.428 4.159 ( 1.512 -0.117 1.340) 2.024 5.841 ( 0.348 0.905 -0.253) 1.002 5.866 ( 0.166 -0.198 0.226) 0.343 5.891 ( -0.663 0.914 -0.088) 1.132 5.916 ( -0.063 -0.195 0.268) 0.337 6.366 ( -0.401 1.108 0.308) 1.218 6.418 ( 0.039 -1.218 0.731) 1.421 6.500 ( 0.203 0.991 0.111) 1.018 6.547 ( 0.175 -1.212 -0.383) 1.284 ======================= Grid point 83 (41/136) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -4.272 1.914 1.169) 4.825 0.877 ( -4.362 3.069 4.072) 6.711 1.010 ( 4.878 -1.695 5.328) 7.420 1.054 ( -1.805 -4.278 3.881) 6.052 1.148 ( -0.963 -2.573 2.550) 3.748 1.239 ( 0.264 -3.915 1.205) 4.105 1.424 ( 0.069 3.722 -2.260) 4.355 1.486 ( 1.607 1.227 0.048) 2.022 1.563 ( 1.316 -2.367 -1.560) 3.125 1.630 ( 1.255 -3.572 -0.285) 3.797 1.830 ( 1.127 3.639 -2.048) 4.326 1.872 ( -0.723 1.525 -1.426) 2.209 2.110 ( 0.614 3.747 -2.281) 4.430 2.199 ( -0.311 -1.029 -2.734) 2.938 2.377 ( 0.713 1.233 -0.366) 1.470 2.410 ( 0.157 0.731 0.268) 0.794 2.469 ( -1.703 0.982 -2.766) 3.393 2.478 ( 0.386 -0.274 0.291) 0.556 2.512 ( 0.740 -1.526 -1.944) 2.579 2.625 ( -0.377 -0.951 3.432) 3.582 3.407 ( -0.532 0.583 0.627) 1.008 3.428 ( -0.689 -1.627 -1.971) 2.647 3.538 ( 1.185 -2.508 2.056) 3.453 3.604 ( 2.122 -3.650 3.805) 5.684 3.980 ( -0.777 1.606 -2.346) 2.947 4.047 ( 0.152 -1.098 1.043) 1.522 4.139 ( -0.071 0.901 -1.241) 1.535 4.206 ( 1.810 -2.189 2.544) 3.813 5.840 ( -0.075 0.849 -0.724) 1.118 5.868 ( -0.319 -0.207 0.450) 0.589 5.886 ( 0.199 0.639 -0.029) 0.670 5.912 ( -0.395 -0.369 -0.100) 0.550 6.364 ( -0.087 1.103 0.419) 1.183 6.416 ( -0.568 -1.269 0.362) 1.437 6.500 ( -0.099 1.091 -0.076) 1.098 6.555 ( 0.585 -1.403 0.226) 1.537 ======================= Grid point 84 (42/136) ======================= q-point: (-0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -8.898 6.220 2.396) 11.118 0.832 ( -4.756 5.268 6.935) 9.923 1.012 ( -3.522 -4.835 3.469) 6.915 1.122 ( 2.798 -3.282 5.350) 6.872 1.142 ( 0.116 0.302 1.104) 1.150 1.288 ( 2.069 -2.860 0.453) 3.559 1.403 ( -0.271 5.418 -3.205) 6.301 1.492 ( -0.854 0.475 0.580) 1.136 1.585 ( 1.372 -1.486 -0.659) 2.127 1.657 ( 1.742 -2.461 0.641) 3.082 1.854 ( 2.673 3.586 -2.474) 5.111 1.862 ( 0.258 1.401 -1.281) 1.916 2.118 ( 1.521 2.021 -2.300) 3.419 2.201 ( 1.927 -2.398 -2.599) 4.027 2.382 ( 0.310 0.139 -1.311) 1.354 2.420 ( -0.517 1.719 0.237) 1.811 2.428 ( -0.215 -0.649 -1.108) 1.302 2.488 ( 0.373 -0.697 0.483) 0.926 2.522 ( 1.241 -0.938 -1.570) 2.210 2.605 ( -2.521 -3.102 0.960) 4.111 3.403 ( -0.021 4.610 0.833) 4.685 3.427 ( 0.605 2.322 1.111) 2.644 3.572 ( 1.027 -0.406 1.978) 2.266 3.647 ( 0.602 -1.174 2.254) 2.612 3.960 ( -0.153 2.153 -2.039) 2.969 4.055 ( 0.120 -0.093 0.792) 0.807 4.134 ( -0.126 -0.623 -0.238) 0.678 4.249 ( 1.379 -3.805 2.283) 4.647 5.834 ( -0.188 0.485 -0.388) 0.649 5.866 ( -0.149 -0.275 0.436) 0.536 5.890 ( 0.129 -0.157 -0.368) 0.421 5.902 ( -0.341 -0.574 -0.471) 0.817 6.367 ( 0.202 0.685 0.349) 0.795 6.403 ( -0.781 -1.059 0.018) 1.315 6.497 ( -0.255 1.574 0.011) 1.595 6.567 ( 0.467 -1.647 0.496) 1.782 ======================= Grid point 85 (43/136) ======================= q-point: (-0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -2.878 12.206 7.188) 14.455 0.777 ( -5.275 7.796 9.201) 13.163 0.961 ( -4.071 -3.385 3.381) 6.281 1.135 ( -1.292 -3.496 4.083) 5.528 1.166 ( -3.449 7.752 -1.767) 8.667 1.278 ( 1.063 0.470 -1.566) 1.950 1.434 ( 4.226 -0.896 -1.482) 4.567 1.481 ( -0.537 -2.061 1.863) 2.830 1.603 ( 0.881 -0.878 -0.530) 1.352 1.690 ( 1.039 -2.441 0.613) 2.723 1.865 ( 0.874 0.943 -1.397) 1.899 1.893 ( 2.691 2.774 -2.789) 4.766 2.126 ( 0.468 0.822 -3.043) 3.187 2.241 ( 3.539 -3.897 -1.813) 5.568 2.365 ( -0.661 0.615 -3.230) 3.354 2.408 ( -0.084 -0.330 1.688) 1.722 2.442 ( 0.272 0.513 1.020) 1.174 2.493 ( -0.125 -1.170 0.239) 1.201 2.539 ( 1.236 -1.221 -1.277) 2.156 2.570 ( -0.720 -2.077 -0.546) 2.265 3.408 ( -0.302 7.095 1.256) 7.212 3.456 ( 1.407 5.440 2.221) 6.042 3.587 ( -0.621 2.370 0.592) 2.521 3.652 ( -0.402 1.396 0.745) 1.632 3.952 ( 0.212 1.931 -1.401) 2.395 4.055 ( -0.791 2.526 0.770) 2.757 4.134 ( 0.174 -4.019 0.374) 4.040 4.277 ( 0.615 -4.681 1.076) 4.842 5.832 ( 0.077 -0.284 0.227) 0.371 5.860 ( -0.645 -1.032 -0.445) 1.295 5.889 ( 0.307 -0.097 -0.333) 0.463 5.899 ( 0.111 -0.582 -0.222) 0.633 6.372 ( 0.095 0.188 0.059) 0.219 6.392 ( -0.303 -0.685 0.020) 0.749 6.492 ( -0.316 2.074 0.136) 2.102 6.576 ( 0.153 -1.777 0.418) 1.831 ======================= Grid point 86 (44/136) ======================= q-point: (-0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -1.876 10.489 7.615) 13.097 0.768 ( -0.746 12.486 7.103) 14.385 0.881 ( -6.035 7.228 3.347) 9.994 1.036 ( -5.602 2.279 1.119) 6.151 1.139 ( -0.790 -0.599 1.716) 1.981 1.319 ( 2.654 1.312 -1.397) 3.273 1.477 ( 0.480 -2.591 0.453) 2.674 1.518 ( 3.076 -6.640 0.566) 7.340 1.610 ( 0.317 -0.527 -0.830) 1.032 1.690 ( -1.278 -3.193 -0.207) 3.445 1.882 ( 1.593 -0.469 -1.441) 2.199 1.917 ( 1.883 0.442 -3.087) 3.643 2.107 ( -0.302 2.309 -2.732) 3.590 2.298 ( 3.039 -3.659 -1.881) 5.115 2.350 ( 0.867 2.559 -2.070) 3.403 2.419 ( -0.120 -0.405 2.379) 2.417 2.443 ( -0.745 -0.055 1.130) 1.355 2.486 ( -0.780 -0.136 0.606) 0.997 2.546 ( 0.041 -1.070 -0.428) 1.153 2.578 ( 2.049 -3.081 -3.065) 4.805 3.404 ( -0.684 7.711 1.177) 7.830 3.494 ( 1.253 8.401 0.975) 8.549 3.550 ( -2.516 2.241 -0.745) 3.450 3.652 ( -0.176 1.805 0.447) 1.868 3.953 ( 0.544 1.576 -0.722) 1.817 4.037 ( -1.342 4.151 1.216) 4.529 4.141 ( 0.161 -5.736 0.094) 5.739 4.282 ( -0.305 -5.034 -0.670) 5.088 5.836 ( -0.230 -0.807 -0.020) 0.839 5.846 ( -0.029 -1.085 -0.357) 1.143 5.893 ( 0.217 -0.128 -0.449) 0.515 5.905 ( 0.368 -0.562 0.473) 0.822 6.371 ( -0.079 0.157 -0.061) 0.186 6.393 ( 0.233 -0.632 0.055) 0.676 6.487 ( -0.257 2.390 0.222) 2.414 6.577 ( -0.140 -1.773 0.135) 1.783 ======================= Grid point 87 (45/136) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -1.897 -7.531 4.588) 9.020 0.771 ( -1.897 7.531 4.588) 9.020 0.949 ( -6.472 -9.515 -1.064) 11.556 0.949 ( -6.472 9.515 -1.064) 11.556 1.297 ( 2.267 -10.569 3.363) 11.320 1.297 ( 2.267 10.569 3.363) 11.320 1.424 ( -0.384 -3.744 -0.453) 3.791 1.424 ( -0.384 3.744 -0.453) 3.791 1.610 ( -0.286 -1.354 -1.968) 2.405 1.610 ( -0.286 1.354 -1.968) 2.405 1.898 ( 0.929 -1.983 -1.606) 2.716 1.898 ( 0.929 1.983 -1.606) 2.716 2.239 ( 2.187 -6.140 -0.940) 6.586 2.239 ( 2.187 6.140 -0.940) 6.586 2.417 ( -0.151 -1.125 0.580) 1.275 2.417 ( -0.151 1.125 0.580) 1.275 2.456 ( 0.127 -3.239 -0.238) 3.250 2.456 ( 0.127 3.239 -0.238) 3.250 2.529 ( -0.325 -1.066 -1.373) 1.768 2.529 ( -0.325 1.066 -1.373) 1.768 3.498 ( -1.519 -2.841 0.159) 3.226 3.498 ( -1.519 2.841 0.159) 3.226 3.615 ( -1.882 -3.376 -2.685) 4.706 3.615 ( -1.882 3.376 -2.685) 4.706 4.027 ( 0.472 -4.734 -0.052) 4.758 4.027 ( 0.472 4.734 -0.052) 4.758 4.143 ( -0.424 -6.188 -0.414) 6.216 4.143 ( -0.424 6.188 -0.414) 6.216 5.833 ( 0.344 -0.894 0.193) 0.977 5.833 ( 0.344 0.894 0.193) 0.977 5.900 ( 0.183 -0.581 0.281) 0.671 5.900 ( 0.183 0.581 0.281) 0.671 6.382 ( 0.180 -0.654 0.030) 0.679 6.382 ( 0.180 0.654 0.030) 0.679 6.532 ( -0.205 -2.210 -0.052) 2.220 6.532 ( -0.205 2.210 -0.052) 2.220 ======================= Grid point 89 (46/136) ======================= q-point: ( 0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.557 -2.413 2.469) 3.497 0.770 ( -0.557 2.413 2.469) 3.497 0.834 ( -3.854 -8.274 0.526) 9.143 0.834 ( -3.854 8.274 0.526) 9.143 1.335 ( -1.097 -3.604 3.171) 4.924 1.335 ( -1.097 3.604 3.171) 4.924 1.417 ( 0.818 -4.599 -1.265) 4.840 1.417 ( 0.818 4.599 -1.265) 4.840 1.590 ( -0.634 -1.899 -2.868) 3.497 1.590 ( -0.634 1.899 -2.868) 3.497 1.909 ( 0.917 -3.719 -1.533) 4.126 1.909 ( 0.917 3.719 -1.533) 4.126 2.261 ( 0.414 -5.303 -0.569) 5.349 2.261 ( 0.414 5.303 -0.569) 5.349 2.412 ( -0.467 -1.149 0.287) 1.274 2.412 ( -0.467 1.149 0.287) 1.274 2.467 ( 0.969 -3.351 0.396) 3.510 2.467 ( 0.969 3.351 0.396) 3.510 2.513 ( -0.426 -0.636 -0.612) 0.980 2.513 ( -0.426 0.636 -0.612) 0.980 3.463 ( -2.000 -0.962 -0.821) 2.367 3.463 ( -2.000 0.962 -0.821) 2.367 3.559 ( -2.065 -2.404 -3.874) 5.005 3.559 ( -2.065 2.404 -3.874) 5.005 4.034 ( 0.232 -3.398 -0.116) 3.408 4.034 ( 0.232 3.398 -0.116) 3.408 4.139 ( 0.202 -4.168 -0.428) 4.195 4.139 ( 0.202 4.168 -0.428) 4.195 5.843 ( 0.496 -1.184 0.312) 1.321 5.843 ( 0.496 1.184 0.312) 1.321 5.905 ( 0.116 -0.472 0.429) 0.648 5.905 ( 0.116 0.472 0.429) 0.648 6.386 ( 0.146 -0.486 0.235) 0.559 6.386 ( 0.146 0.486 0.235) 0.559 6.528 ( -0.218 -1.915 -0.188) 1.936 6.528 ( -0.218 1.915 -0.188) 1.936 ======================= Grid point 91 (47/136) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 2.055 -10.257 1.594) 10.582 0.780 ( 2.055 10.257 1.594) 10.582 0.845 ( 1.944 -5.842 4.442) 7.592 0.845 ( 1.944 5.842 4.442) 7.592 1.288 ( -4.707 -2.403 1.934) 5.627 1.288 ( -4.707 2.403 1.934) 5.627 1.445 ( 2.372 -3.092 -0.960) 4.014 1.445 ( 2.372 3.092 -0.960) 4.014 1.555 ( -1.127 -2.231 -3.443) 4.255 1.555 ( -1.127 2.231 -3.443) 4.255 1.908 ( -0.079 -3.566 -1.892) 4.038 1.908 ( -0.079 3.566 -1.892) 4.038 2.245 ( -1.453 -4.236 -1.228) 4.644 2.245 ( -1.453 4.236 -1.228) 4.644 2.407 ( -0.066 -1.652 -0.227) 1.669 2.407 ( -0.066 1.652 -0.227) 1.669 2.469 ( -0.158 -1.931 -1.939) 2.741 2.469 ( -0.158 1.931 -1.939) 2.741 2.538 ( 1.902 -0.803 3.454) 4.024 2.538 ( 1.902 0.803 3.454) 4.024 3.421 ( -1.605 -2.272 -1.391) 3.109 3.421 ( -1.605 2.272 -1.391) 3.109 3.508 ( -1.346 -1.026 -2.359) 2.903 3.508 ( -1.346 1.026 -2.359) 2.903 4.033 ( -0.196 -1.462 -0.430) 1.536 4.033 ( -0.196 1.462 -0.430) 1.536 4.145 ( 0.588 -1.846 -0.206) 1.949 4.145 ( 0.588 1.846 -0.206) 1.949 5.852 ( 0.370 -0.922 0.161) 1.006 5.852 ( 0.370 0.922 0.161) 1.006 5.908 ( 0.002 -0.192 0.436) 0.477 5.908 ( 0.002 0.192 0.436) 0.477 6.390 ( 0.048 -0.852 0.458) 0.969 6.390 ( 0.048 0.852 0.458) 0.969 6.523 ( -0.115 -1.501 -0.225) 1.522 6.523 ( -0.115 1.501 -0.225) 1.522 ======================= Grid point 93 (48/136) ======================= q-point: ( 0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 3.404 -2.012 2.433) 4.643 0.857 ( 3.404 2.012 2.433) 4.643 0.919 ( 3.099 -2.783 5.834) 7.168 0.919 ( 3.099 2.783 5.834) 7.168 1.201 ( -5.236 -3.117 1.725) 6.333 1.201 ( -5.236 3.117 1.725) 6.333 1.484 ( 2.033 -1.521 -1.193) 2.806 1.484 ( 2.033 1.521 -1.193) 2.806 1.526 ( 0.157 -2.390 -2.327) 3.340 1.526 ( 0.157 2.390 -2.327) 3.340 1.891 ( -0.467 -2.331 -1.847) 3.010 1.891 ( -0.467 2.331 -1.847) 3.010 2.205 ( -1.558 -3.164 -2.261) 4.189 2.205 ( -1.558 3.164 -2.261) 4.189 2.406 ( 0.205 -1.391 -0.670) 1.558 2.406 ( 0.205 1.391 -0.670) 1.558 2.460 ( 0.188 -0.748 -1.276) 1.491 2.460 ( 0.188 0.748 -1.276) 1.491 2.580 ( 0.352 -2.197 2.010) 2.999 2.580 ( 0.352 2.197 2.010) 2.999 3.400 ( 0.009 -1.473 -0.184) 1.484 3.400 ( 0.009 1.473 -0.184) 1.484 3.493 ( 0.307 -0.587 0.861) 1.086 3.493 ( 0.307 0.587 0.861) 1.086 4.024 ( -0.352 -0.671 -0.631) 0.986 4.024 ( -0.352 0.671 -0.631) 0.986 4.156 ( 0.603 -0.187 0.014) 0.632 4.156 ( 0.603 0.187 0.014) 0.632 5.858 ( 0.165 -0.653 -0.027) 0.674 5.858 ( 0.165 0.653 -0.027) 0.674 5.908 ( -0.259 -0.639 0.156) 0.707 5.908 ( -0.259 0.639 0.156) 0.707 6.392 ( -0.167 -1.325 0.518) 1.433 6.392 ( -0.167 1.325 0.518) 1.433 6.522 ( 0.099 -1.218 -0.098) 1.226 6.522 ( 0.099 1.218 -0.098) 1.226 ======================= Grid point 95 (49/136) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.949 -3.863 1.793) 4.684 0.881 ( -1.949 3.863 1.793) 4.684 0.996 ( -0.149 -2.366 6.999) 7.390 0.996 ( -0.149 2.366 6.999) 7.390 1.153 ( 0.301 -3.330 2.183) 3.993 1.153 ( 0.301 3.330 2.183) 3.993 1.493 ( 0.434 -2.291 -2.168) 3.184 1.493 ( 0.434 2.291 -2.168) 3.184 1.550 ( 2.349 -2.923 0.383) 3.770 1.550 ( 2.349 2.923 0.383) 3.770 1.880 ( 0.452 -1.190 -1.476) 1.949 1.880 ( 0.452 1.190 -1.476) 1.949 2.171 ( -0.452 -2.224 -3.383) 4.074 2.171 ( -0.452 2.224 -3.383) 4.074 2.406 ( 0.320 -1.561 -1.330) 2.076 2.406 ( 0.320 1.561 -1.330) 2.076 2.461 ( 0.291 -0.609 -0.446) 0.809 2.461 ( 0.291 0.609 -0.446) 0.809 2.568 ( -1.702 -4.157 -0.121) 4.494 2.568 ( -1.702 4.157 -0.121) 4.494 3.420 ( 1.399 -0.278 1.966) 2.429 3.420 ( 1.399 0.278 1.966) 2.429 3.528 ( 2.026 -2.508 3.545) 4.792 3.528 ( 2.026 2.508 3.545) 4.792 4.016 ( -0.010 -1.844 -0.719) 1.979 4.016 ( -0.010 1.844 -0.719) 1.979 4.166 ( 0.365 -1.702 0.246) 1.758 4.166 ( 0.365 1.702 0.246) 1.758 5.858 ( -0.085 -0.764 -0.155) 0.784 5.858 ( -0.085 0.764 -0.155) 0.784 5.900 ( -0.446 -0.749 -0.297) 0.921 5.900 ( -0.446 0.749 -0.297) 0.921 6.389 ( -0.374 -1.328 0.364) 1.426 6.389 ( -0.374 1.328 0.364) 1.426 6.526 ( 0.250 -1.392 0.148) 1.422 6.526 ( 0.250 1.392 0.148) 1.422 ======================= Grid point 97 (50/136) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -3.554 -7.632 2.967) 8.926 0.833 ( -3.554 7.632 2.967) 8.926 0.993 ( -3.127 -5.832 7.647) 10.112 0.993 ( -3.127 5.832 7.647) 10.112 1.213 ( 3.378 -4.203 1.888) 5.714 1.213 ( 3.378 4.203 1.888) 5.714 1.483 ( -0.630 -2.340 -1.582) 2.894 1.483 ( -0.630 2.340 -1.582) 2.894 1.596 ( 1.992 -2.760 0.739) 3.483 1.596 ( 1.992 2.760 0.739) 3.483 1.891 ( 1.248 -0.441 -1.394) 1.923 1.891 ( 1.248 0.441 -1.394) 1.923 2.154 ( 0.811 -2.156 -4.168) 4.763 2.154 ( 0.811 2.156 -4.168) 4.763 2.400 ( 0.063 -1.553 -2.189) 2.685 2.400 ( 0.063 1.553 -2.189) 2.685 2.461 ( -0.155 -1.903 -0.056) 1.910 2.461 ( -0.155 1.903 -0.056) 1.910 2.541 ( -0.796 -2.596 0.311) 2.733 2.541 ( -0.796 2.596 0.311) 2.733 3.462 ( 1.477 -0.885 2.866) 3.344 3.462 ( 1.477 0.885 2.866) 3.344 3.593 ( 2.294 -3.122 4.145) 5.674 3.593 ( 2.294 3.122 4.145) 5.674 4.016 ( 0.333 -3.007 -0.748) 3.116 4.016 ( 0.333 3.007 -0.748) 3.116 4.170 ( -0.082 -3.523 0.402) 3.547 4.170 ( -0.082 3.523 0.402) 3.547 5.852 ( -0.477 -1.025 -0.342) 1.181 5.852 ( -0.477 1.025 -0.342) 1.181 5.892 ( -0.166 -0.407 -0.465) 0.640 5.892 ( -0.166 0.407 -0.465) 0.640 6.383 ( -0.342 -0.897 0.147) 0.971 6.383 ( -0.342 0.897 0.147) 0.971 6.531 ( 0.193 -1.808 0.313) 1.845 6.531 ( 0.193 1.808 0.313) 1.845 ======================= Grid point 99 (51/136) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -2.056 -8.313 4.345) 9.603 0.802 ( -2.056 8.313 4.345) 9.603 0.989 ( -1.511 -9.064 8.712) 12.662 0.989 ( -1.511 9.064 8.712) 12.662 1.267 ( 1.394 -2.489 0.269) 2.866 1.267 ( 1.394 2.489 0.269) 2.866 1.453 ( -1.559 -1.545 -1.219) 2.511 1.453 ( -1.559 1.545 -1.219) 2.511 1.625 ( 0.800 -3.168 -0.176) 3.272 1.625 ( 0.800 3.168 -0.176) 3.272 1.900 ( 0.536 -1.731 -1.835) 2.579 1.900 ( 0.536 1.731 -1.835) 2.579 2.161 ( 2.295 -3.328 -3.610) 5.420 2.161 ( 2.295 3.328 -3.610) 5.420 2.395 ( 0.661 -1.442 -1.398) 2.115 2.395 ( 0.661 1.442 -1.398) 2.115 2.459 ( -0.050 -1.664 0.166) 1.673 2.459 ( -0.050 1.664 0.166) 1.673 2.538 ( -0.001 -0.990 0.260) 1.024 2.538 ( -0.001 0.990 0.260) 1.024 3.498 ( 0.759 -1.514 2.539) 3.052 3.498 ( 0.759 1.514 2.539) 3.052 3.643 ( 0.936 -2.339 2.565) 3.595 3.643 ( 0.936 2.339 2.565) 3.595 4.018 ( 0.280 -4.388 -0.707) 4.453 4.018 ( 0.280 4.388 -0.707) 4.453 4.167 ( -0.525 -5.582 0.334) 5.616 4.167 ( -0.525 5.582 0.334) 5.616 5.839 ( -0.548 -0.846 -0.461) 1.109 5.839 ( -0.548 0.846 -0.461) 1.109 5.891 ( 0.196 -0.261 -0.209) 0.388 5.891 ( 0.196 0.261 -0.209) 0.388 6.379 ( -0.098 -0.510 -0.004) 0.520 6.379 ( -0.098 0.510 -0.004) 0.520 6.535 ( 0.025 -2.145 0.287) 2.165 6.535 ( 0.025 2.145 0.287) 2.165 ======================= Grid point 101 (52/136) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -2.350 -7.809 4.877) 9.502 0.787 ( -2.350 7.809 4.877) 9.502 1.017 ( -1.305 -8.032 5.634) 9.897 1.017 ( -1.305 8.032 5.634) 9.897 1.266 ( -0.476 -9.694 -0.049) 9.706 1.266 ( -0.476 9.694 -0.049) 9.706 1.430 ( -0.296 -1.633 -0.431) 1.715 1.430 ( -0.296 1.633 -0.431) 1.715 1.624 ( -0.258 -2.289 -1.188) 2.592 1.624 ( -0.258 2.289 -1.188) 2.592 1.896 ( 0.342 -1.460 -1.943) 2.455 1.896 ( 0.342 1.460 -1.943) 2.455 2.197 ( 3.002 -5.559 -2.136) 6.669 2.197 ( 3.002 5.559 -2.136) 6.669 2.408 ( 0.877 -1.625 -0.085) 1.849 2.408 ( 0.877 1.625 -0.085) 1.849 2.459 ( -0.121 -2.189 -0.106) 2.195 2.459 ( -0.121 2.189 -0.106) 2.195 2.537 ( -0.026 -0.768 -0.677) 1.024 2.537 ( -0.026 0.768 -0.677) 1.024 3.513 ( -0.402 -2.772 1.424) 3.143 3.513 ( -0.402 2.772 1.424) 3.143 3.650 ( -0.870 -2.863 -0.102) 2.994 3.650 ( -0.870 2.863 -0.102) 2.994 4.020 ( 0.333 -5.140 -0.411) 5.167 4.020 ( 0.333 5.140 -0.411) 5.167 4.156 ( -0.705 -6.776 -0.026) 6.813 4.156 ( -0.705 6.776 -0.026) 6.813 5.830 ( -0.119 -0.303 -0.189) 0.377 5.830 ( -0.119 0.303 -0.189) 0.377 5.895 ( 0.258 -0.327 0.075) 0.424 5.895 ( 0.258 0.327 0.075) 0.424 6.380 ( 0.120 -0.629 -0.050) 0.642 6.380 ( 0.120 0.629 -0.050) 0.642 6.535 ( -0.120 -2.292 0.130) 2.299 6.535 ( -0.120 2.292 0.130) 2.299 ======================= Grid point 119 (53/136) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 3.273 0.000 13.414) 13.807 0.584 ( 4.979 0.000 13.646) 14.526 0.807 ( -1.003 0.000 16.863) 16.893 1.139 ( -0.497 0.000 3.478) 3.513 1.172 ( 0.776 0.000 5.147) 5.206 1.423 ( 6.930 0.000 -5.149) 8.634 1.427 ( -0.449 0.000 -1.499) 1.565 1.646 ( 0.513 0.000 -1.529) 1.613 1.650 ( -2.229 0.000 1.673) 2.787 1.766 ( -0.828 0.000 -1.533) 1.742 1.773 ( 2.513 0.000 -1.703) 3.036 1.929 ( -0.944 0.000 -4.604) 4.699 2.027 ( -2.257 0.000 -1.743) 2.852 2.217 ( -1.880 0.000 -4.519) 4.894 2.328 ( -0.720 0.000 -2.152) 2.269 2.371 ( -0.974 0.000 -0.225) 1.000 2.405 ( -0.109 0.000 -0.102) 0.149 2.549 ( -0.783 0.000 1.683) 1.856 2.561 ( 1.536 0.000 -5.695) 5.898 2.579 ( 0.625 0.000 -0.715) 0.949 3.342 ( 6.937 0.000 10.846) 12.875 3.359 ( 5.375 0.000 6.743) 8.623 3.546 ( 0.872 0.000 1.321) 1.583 3.645 ( 0.968 0.000 2.556) 2.733 3.944 ( 1.246 0.000 -0.091) 1.249 4.002 ( -0.543 0.000 3.258) 3.303 4.242 ( -2.906 0.000 -1.949) 3.499 4.262 ( -2.126 0.000 -5.438) 5.839 5.841 ( -1.105 0.000 -0.881) 1.413 5.859 ( -0.368 0.000 -1.409) 1.456 5.892 ( 0.272 0.000 -0.177) 0.325 5.918 ( 0.395 0.000 -0.673) 0.780 6.391 ( 0.784 0.000 0.114) 0.792 6.403 ( -1.075 0.000 -0.121) 1.082 6.445 ( 0.581 0.000 2.332) 2.404 6.599 ( -0.879 0.000 -0.697) 1.121 ======================= Grid point 120 (54/136) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 3.350 0.000 11.298) 11.784 0.769 ( 7.227 0.000 10.137) 12.450 0.941 ( 6.243 0.000 11.685) 13.248 1.153 ( -0.147 0.000 3.161) 3.164 1.223 ( 0.592 0.000 7.132) 7.157 1.389 ( -1.619 0.000 -3.777) 4.110 1.509 ( 4.357 0.000 -4.440) 6.221 1.594 ( -4.659 0.000 2.482) 5.279 1.635 ( -0.743 0.000 -2.135) 2.261 1.731 ( -2.940 0.000 -0.173) 2.946 1.814 ( 2.450 0.000 -1.171) 2.716 1.832 ( -3.868 0.000 -7.640) 8.563 1.940 ( -5.364 0.000 -2.616) 5.968 2.211 ( 2.292 0.000 -1.421) 2.696 2.316 ( 0.173 0.000 -2.075) 2.082 2.350 ( -1.295 0.000 0.920) 1.588 2.408 ( 0.944 0.000 -0.158) 0.957 2.547 ( 0.025 0.000 -3.022) 3.022 2.549 ( -0.263 0.000 1.437) 1.461 2.587 ( 0.706 0.000 -3.320) 3.394 3.465 ( 1.183 0.000 4.853) 4.995 3.491 ( 4.753 0.000 5.652) 7.385 3.602 ( 3.701 0.000 3.545) 5.125 3.666 ( -0.161 0.000 1.758) 1.765 3.977 ( 2.040 0.000 1.214) 2.374 4.042 ( 2.807 0.000 4.790) 5.552 4.160 ( -4.305 0.000 -3.066) 5.285 4.184 ( -2.652 0.000 -6.796) 7.295 5.818 ( -0.797 0.000 -0.829) 1.150 5.848 ( -0.092 0.000 -1.043) 1.047 5.893 ( -0.017 0.000 -0.130) 0.131 5.919 ( 0.132 0.000 -0.674) 0.687 6.381 ( -1.200 0.000 -0.093) 1.203 6.415 ( 1.626 0.000 0.280) 1.650 6.467 ( 0.363 0.000 2.506) 2.532 6.577 ( -0.912 0.000 -1.149) 1.467 ======================= Grid point 121 (55/136) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 3.625 0.000 8.997) 9.700 0.938 ( 6.358 0.000 5.133) 8.171 1.103 ( 4.826 0.000 2.483) 5.427 1.157 ( -0.951 0.000 1.951) 2.170 1.228 ( -2.525 0.000 4.379) 5.054 1.373 ( 1.100 0.000 0.377) 1.163 1.468 ( -6.899 0.000 -5.914) 9.087 1.524 ( -3.886 0.000 3.592) 5.292 1.617 ( -0.265 0.000 -1.606) 1.627 1.659 ( -2.141 0.000 0.279) 2.159 1.789 ( 2.541 0.000 -6.726) 7.190 1.794 ( -5.262 0.000 -3.294) 6.208 1.872 ( 1.198 0.000 -0.883) 1.488 2.253 ( 2.115 0.000 -0.708) 2.230 2.311 ( 0.386 0.000 -0.389) 0.548 2.340 ( -0.598 0.000 2.774) 2.838 2.431 ( 1.294 0.000 -0.885) 1.567 2.528 ( 0.178 0.000 -4.822) 4.825 2.559 ( 0.540 0.000 2.120) 2.188 2.574 ( -0.742 0.000 -0.602) 0.956 3.474 ( -1.010 0.000 0.124) 1.017 3.575 ( 1.637 0.000 1.834) 2.458 3.651 ( -1.705 0.000 -0.817) 1.890 3.666 ( 0.879 0.000 1.332) 1.596 4.016 ( -0.459 0.000 -0.131) 0.477 4.079 ( -1.128 0.000 0.635) 1.294 4.100 ( -2.176 0.000 -6.478) 6.834 4.148 ( 4.905 0.000 5.412) 7.304 5.806 ( -0.071 0.000 -0.284) 0.293 5.847 ( 0.395 0.000 -0.218) 0.452 5.891 ( -0.143 0.000 0.212) 0.256 5.917 ( -0.059 0.000 -0.472) 0.476 6.360 ( -0.993 0.000 0.084) 0.996 6.447 ( 1.495 0.000 0.001) 1.495 6.483 ( -0.140 0.000 2.465) 2.469 6.559 ( -0.188 0.000 -1.318) 1.331 ======================= Grid point 122 (56/136) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 2.444 0.000 7.351) 7.747 1.036 ( 1.517 0.000 0.166) 1.526 1.069 ( -5.459 0.000 -2.205) 5.887 1.160 ( 1.524 0.000 0.775) 1.709 1.261 ( 0.715 0.000 2.567) 2.665 1.270 ( -9.410 0.000 -4.417) 10.395 1.382 ( 0.300 0.000 -0.304) 0.428 1.517 ( 0.181 0.000 5.245) 5.248 1.575 ( -2.135 0.000 -1.929) 2.878 1.666 ( 0.844 0.000 0.202) 0.868 1.676 ( -4.625 0.000 -3.373) 5.724 1.817 ( 3.492 0.000 -5.547) 6.554 1.902 ( 2.132 0.000 -0.204) 2.142 2.267 ( -0.042 0.000 -0.286) 0.289 2.329 ( 1.086 0.000 1.325) 1.713 2.364 ( 1.252 0.000 2.602) 2.888 2.436 ( 0.096 0.000 -1.839) 1.842 2.505 ( 0.494 0.000 -6.074) 6.094 2.564 ( -0.604 0.000 2.600) 2.669 2.597 ( 1.955 0.000 3.674) 4.162 3.433 ( -2.687 0.000 -3.376) 4.315 3.535 ( -4.636 0.000 -5.761) 7.395 3.624 ( -0.618 0.000 -0.556) 0.831 3.646 ( -2.369 0.000 -2.182) 3.221 3.959 ( -2.633 0.000 -1.296) 2.935 4.045 ( -0.434 0.000 -4.016) 4.039 4.131 ( 2.602 0.000 4.634) 5.314 4.261 ( 3.968 0.000 4.178) 5.762 5.812 ( 0.564 0.000 0.298) 0.638 5.859 ( 0.782 0.000 0.534) 0.947 5.892 ( -0.064 0.000 0.721) 0.724 5.913 ( -0.085 0.000 -0.305) 0.317 6.347 ( -0.418 0.000 0.357) 0.550 6.460 ( 0.053 0.000 -0.929) 0.930 6.488 ( -0.718 0.000 2.210) 2.324 6.563 ( 1.270 0.000 -0.733) 1.467 ======================= Grid point 123 (57/136) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.183 0.000 4.589) 4.739 0.933 ( -8.315 0.000 2.385) 8.650 0.977 ( -7.918 0.000 -2.294) 8.244 1.092 ( -3.396 0.000 -1.786) 3.837 1.241 ( -1.576 0.000 -2.669) 3.100 1.255 ( 4.297 0.000 0.659) 4.347 1.403 ( 0.715 0.000 2.342) 2.449 1.534 ( -0.253 0.000 -3.629) 3.637 1.552 ( 0.774 0.000 3.424) 3.511 1.603 ( -1.192 0.000 -2.364) 2.647 1.677 ( 0.330 0.000 0.522) 0.617 1.851 ( 3.006 0.000 -4.653) 5.539 1.948 ( 2.648 0.000 0.479) 2.691 2.268 ( 0.660 0.000 -0.462) 0.806 2.355 ( 0.684 0.000 1.457) 1.610 2.394 ( 0.797 0.000 0.470) 0.925 2.422 ( -0.289 0.000 -2.471) 2.488 2.483 ( 0.684 0.000 -6.004) 6.043 2.586 ( 0.610 0.000 5.665) 5.698 2.662 ( 2.084 0.000 5.264) 5.662 3.328 ( -5.651 0.000 -7.100) 9.074 3.387 ( -6.311 0.000 -8.878) 10.892 3.584 ( -2.338 0.000 -2.115) 3.153 3.603 ( -1.115 0.000 -0.990) 1.491 3.924 ( -0.946 0.000 -0.074) 0.949 4.036 ( 0.639 0.000 -1.522) 1.651 4.199 ( 2.079 0.000 4.175) 4.664 4.332 ( 1.975 0.000 2.074) 2.864 5.827 ( 0.764 0.000 0.464) 0.894 5.877 ( 0.714 0.000 0.618) 0.944 5.896 ( -0.035 0.000 1.072) 1.072 5.911 ( 0.029 0.000 -0.213) 0.215 6.349 ( 0.334 0.000 0.669) 0.747 6.445 ( -0.734 0.000 -1.496) 1.666 6.481 ( -1.149 0.000 1.820) 2.153 6.589 ( 1.502 0.000 -0.241) 1.521 ======================= Grid point 124 (58/136) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -11.443 0.000 0.646) 11.461 0.776 ( -11.364 0.000 -0.547) 11.377 0.912 ( -4.873 0.000 9.685) 10.842 1.079 ( 0.938 0.000 1.284) 1.590 1.200 ( -1.071 0.000 -3.199) 3.373 1.300 ( 0.476 0.000 -1.572) 1.643 1.415 ( -1.726 0.000 5.128) 5.411 1.547 ( 4.020 0.000 -4.690) 6.177 1.586 ( 3.066 0.000 -0.999) 3.225 1.611 ( 1.897 0.000 -0.260) 1.914 1.694 ( 1.625 0.000 0.267) 1.647 1.877 ( 2.159 0.000 -3.713) 4.295 1.997 ( 1.938 0.000 1.132) 2.245 2.291 ( 2.509 0.000 -1.961) 3.184 2.368 ( 0.096 0.000 0.945) 0.950 2.396 ( -0.303 0.000 -1.046) 1.089 2.403 ( -0.223 0.000 -2.702) 2.711 2.472 ( 1.528 0.000 -5.452) 5.662 2.640 ( 0.937 0.000 7.789) 7.845 2.708 ( -0.763 0.000 4.943) 5.002 3.168 ( -6.462 0.000 -7.423) 9.842 3.239 ( -4.138 0.000 -7.143) 8.255 3.546 ( -1.040 0.000 -0.531) 1.168 3.582 ( -0.528 0.000 -0.526) 0.746 3.917 ( 0.033 0.000 0.013) 0.035 4.040 ( 0.130 0.000 -0.138) 0.190 4.251 ( 1.434 0.000 3.050) 3.371 4.359 ( 0.384 0.000 0.104) 0.398 5.843 ( 0.763 0.000 0.281) 0.813 5.888 ( 0.209 0.000 -0.084) 0.225 5.899 ( -0.280 0.000 0.975) 1.014 5.912 ( 0.157 0.000 -0.166) 0.228 6.365 ( 0.863 0.000 0.963) 1.293 6.422 ( -0.924 0.000 -1.416) 1.691 6.466 ( -1.305 0.000 1.370) 1.892 6.611 ( 0.927 0.000 -0.105) 0.933 ======================= Grid point 125 (59/136) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -11.202 0.000 4.855) 12.209 0.579 ( -10.179 0.000 4.392) 11.086 0.855 ( -7.243 0.000 12.772) 14.683 1.116 ( 0.875 0.000 4.124) 4.216 1.166 ( -1.214 0.000 -1.202) 1.709 1.287 ( 1.436 0.000 -5.357) 5.546 1.409 ( -1.337 0.000 4.951) 5.129 1.602 ( 3.394 0.000 -3.144) 4.626 1.636 ( 0.836 0.000 2.832) 2.953 1.665 ( 5.596 0.000 -5.206) 7.643 1.740 ( 3.175 0.000 -1.404) 3.471 1.895 ( 2.015 0.000 -3.133) 3.725 2.029 ( 0.866 0.000 1.339) 1.595 2.327 ( 2.445 0.000 -4.946) 5.517 2.372 ( -0.197 0.000 0.808) 0.831 2.380 ( -0.726 0.000 0.113) 0.735 2.386 ( -0.001 0.000 -1.833) 1.833 2.485 ( 3.074 0.000 -5.648) 6.431 2.670 ( -4.960 0.000 1.857) 5.296 2.673 ( -2.219 0.000 5.174) 5.630 3.065 ( -0.728 0.000 -0.284) 0.781 3.184 ( 0.647 0.000 -0.873) 1.087 3.534 ( -0.409 0.000 0.605) 0.730 3.583 ( 0.652 0.000 0.728) 0.977 3.921 ( 0.417 0.000 -0.294) 0.510 4.034 ( -1.104 0.000 0.959) 1.462 4.282 ( 0.559 0.000 1.616) 1.710 4.352 ( -0.627 0.000 -1.727) 1.838 5.857 ( 0.669 0.000 0.026) 0.670 5.885 ( -0.182 0.000 -0.825) 0.845 5.894 ( -0.603 0.000 0.443) 0.749 5.913 ( 0.040 0.000 -0.344) 0.346 6.389 ( 0.999 0.000 1.205) 1.565 6.399 ( -0.768 0.000 -0.952) 1.223 6.448 ( -1.253 0.000 0.952) 1.573 6.621 ( 0.176 0.000 -0.204) 0.270 ======================= Grid point 126 (60/136) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -3.797 0.000 12.243) 12.819 0.488 ( -3.153 0.000 11.619) 12.039 0.797 ( -6.636 0.000 16.007) 17.328 1.135 ( -1.116 0.000 4.390) 4.530 1.150 ( -0.593 0.000 2.176) 2.255 1.327 ( 6.102 0.000 -6.317) 8.783 1.422 ( 0.389 0.000 2.125) 2.160 1.635 ( 1.641 0.000 -1.667) 2.339 1.657 ( 0.093 0.000 1.912) 1.915 1.732 ( 3.860 0.000 -3.499) 5.210 1.774 ( 1.190 0.000 -1.929) 2.266 1.923 ( 2.670 0.000 -3.478) 4.385 2.045 ( 0.285 0.000 0.171) 0.332 2.297 ( -2.192 0.000 -5.902) 6.296 2.358 ( -1.150 0.000 -0.738) 1.367 2.381 ( 0.105 0.000 -0.031) 0.110 2.397 ( 1.022 0.000 0.125) 1.029 2.525 ( 4.595 0.000 -6.762) 8.175 2.582 ( -4.211 0.000 1.262) 4.396 2.617 ( -4.029 0.000 1.108) 4.178 3.153 ( 6.388 0.000 9.087) 11.108 3.240 ( 3.830 0.000 4.486) 5.899 3.535 ( -0.096 0.000 1.139) 1.143 3.610 ( 1.287 0.000 1.999) 2.377 3.928 ( 0.692 0.000 -0.462) 0.832 4.013 ( -1.797 0.000 2.080) 2.748 4.284 ( -0.963 0.000 -0.168) 0.978 4.319 ( -1.385 0.000 -3.600) 3.857 5.861 ( -0.429 0.000 -0.405) 0.590 5.874 ( -0.396 0.000 -1.282) 1.342 5.887 ( 0.010 0.000 -0.035) 0.037 5.913 ( 0.319 0.000 -0.382) 0.497 6.386 ( -0.172 0.000 -0.354) 0.393 6.411 ( 0.530 0.000 0.875) 1.023 6.432 ( -0.812 0.000 1.219) 1.465 6.615 ( -0.511 0.000 -0.382) 0.638 ======================= Grid point 127 (61/136) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -0.490 1.344 12.513) 12.594 0.666 ( -1.048 4.570 12.815) 13.646 0.927 ( 2.773 9.538 11.171) 14.949 1.127 ( -0.126 -1.320 2.651) 2.964 1.198 ( -0.192 1.753 6.423) 6.660 1.333 ( 1.916 -4.223 -2.354) 5.200 1.477 ( 2.434 1.063 -3.813) 4.647 1.612 ( -0.039 -3.132 -1.585) 3.511 1.634 ( -1.685 -1.516 0.884) 2.433 1.715 ( -2.487 -3.761 -0.735) 4.569 1.824 ( 0.608 1.288 -2.807) 3.147 1.907 ( 2.472 -0.307 -5.403) 5.949 2.012 ( -2.056 -0.424 -1.422) 2.535 2.241 ( 1.518 2.711 -2.648) 4.083 2.342 ( -0.000 -0.965 -1.173) 1.519 2.390 ( -1.869 1.503 -0.448) 2.440 2.428 ( -0.499 3.104 -1.182) 3.359 2.534 ( -0.669 -1.287 1.825) 2.331 2.547 ( 2.521 -1.454 -6.770) 7.369 2.576 ( -1.534 -0.568 1.110) 1.977 3.347 ( 4.339 1.304 6.202) 7.681 3.383 ( 3.559 2.089 5.112) 6.570 3.553 ( 0.476 0.535 1.130) 1.338 3.650 ( -0.072 0.020 1.579) 1.581 3.947 ( 1.311 0.356 0.108) 1.363 4.020 ( 0.007 1.727 3.048) 3.503 4.204 ( -2.273 -3.216 -1.787) 4.325 4.250 ( -2.347 -1.597 -5.063) 5.804 5.825 ( -0.636 -0.860 -0.748) 1.305 5.863 ( -0.059 0.001 -0.596) 0.599 5.895 ( 0.317 0.076 -0.397) 0.514 5.921 ( 0.105 0.231 -0.254) 0.359 6.380 ( 0.367 -0.564 0.262) 0.722 6.405 ( -0.329 -0.171 -0.115) 0.388 6.461 ( 0.290 1.410 1.683) 2.215 6.590 ( -0.791 -0.883 -0.671) 1.362 ======================= Grid point 128 (62/136) ======================= q-point: ( 0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 6.548 -2.713 12.525) 14.392 0.732 ( 1.496 0.082 13.312) 13.396 1.050 ( 4.785 5.338 4.630) 8.534 1.156 ( 1.520 1.442 3.307) 3.915 1.223 ( -1.890 -1.813 5.918) 6.471 1.327 ( 0.222 -3.356 -3.108) 4.579 1.499 ( 0.836 -1.297 -1.592) 2.217 1.582 ( -3.633 -1.581 0.703) 4.024 1.600 ( -0.700 -3.409 -2.408) 4.232 1.649 ( -4.004 -5.389 -0.386) 6.724 1.790 ( -0.626 -0.463 -5.242) 5.300 1.923 ( 1.662 4.882 -3.573) 6.274 1.963 ( -2.862 2.231 -1.735) 4.022 2.262 ( 1.536 3.768 -2.296) 4.672 2.326 ( -0.689 0.229 -0.404) 0.831 2.360 ( -0.983 1.527 0.355) 1.851 2.422 ( 0.710 1.856 -1.332) 2.392 2.527 ( -0.497 -1.439 -1.612) 2.218 2.548 ( 0.777 -0.646 -0.959) 1.393 2.568 ( -0.069 -1.670 -1.132) 2.019 3.440 ( 1.744 -2.116 4.650) 5.398 3.480 ( 3.533 -1.011 4.944) 6.160 3.581 ( 1.874 -1.926 1.605) 3.130 3.642 ( -1.234 -2.384 -0.081) 2.686 3.980 ( 1.941 0.405 1.284) 2.362 4.063 ( 2.532 1.701 4.027) 5.052 4.137 ( -3.729 -2.099 -2.597) 5.005 4.175 ( -2.200 -0.842 -5.973) 6.421 5.815 ( -0.130 0.070 -0.185) 0.237 5.856 ( -0.125 0.455 -0.908) 1.023 5.898 ( 0.038 0.431 -0.079) 0.440 5.919 ( -0.034 -0.064 -0.514) 0.519 6.379 ( -0.697 -0.113 -0.042) 0.707 6.412 ( 1.188 -0.309 0.297) 1.263 6.477 ( 0.289 0.879 1.957) 2.165 6.570 ( -0.828 -0.689 -1.045) 1.500 ======================= Grid point 129 (63/136) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 4.567 0.425 8.109) 9.316 0.871 ( 5.705 -3.899 9.872) 12.050 1.123 ( 1.418 -1.507 0.509) 2.131 1.158 ( -4.800 -2.445 0.619) 5.422 1.225 ( 2.829 2.970 3.106) 5.145 1.345 ( 1.651 -1.644 0.877) 2.490 1.462 ( -5.444 -0.819 -2.182) 5.922 1.485 ( -4.981 -3.767 2.162) 6.609 1.581 ( -1.362 -3.153 -1.871) 3.911 1.612 ( 1.830 -2.347 -0.445) 3.009 1.771 ( 0.587 0.171 -3.853) 3.901 1.859 ( -3.928 2.938 -5.139) 7.104 1.953 ( 1.162 6.343 -1.074) 6.538 2.250 ( -0.853 -0.208 -3.347) 3.460 2.341 ( 1.522 2.373 1.773) 3.330 2.356 ( -0.209 1.762 1.846) 2.561 2.432 ( 0.847 0.376 -1.686) 1.924 2.502 ( -0.216 -2.022 -4.747) 5.164 2.547 ( -0.671 -1.832 -0.851) 2.129 2.583 ( 1.535 1.243 3.600) 4.107 3.457 ( -0.913 -1.468 0.527) 1.807 3.548 ( 1.139 -2.651 1.828) 3.416 3.601 ( -2.108 -4.162 -2.489) 5.288 3.631 ( 1.775 -3.467 2.583) 4.673 4.016 ( -0.682 -0.017 -0.329) 0.757 4.064 ( -0.840 -1.025 0.184) 1.338 4.110 ( -1.368 0.712 -4.892) 5.129 4.149 ( 3.817 0.019 4.261) 5.720 5.815 ( 0.088 0.802 -0.084) 0.812 5.854 ( 0.386 0.543 -0.291) 0.727 5.893 ( -0.444 0.249 -0.011) 0.510 5.918 ( 0.118 0.078 -0.161) 0.214 6.364 ( -0.765 0.412 0.090) 0.874 6.439 ( 1.207 -0.736 0.338) 1.454 6.490 ( -0.033 0.595 1.829) 1.924 6.553 ( -0.189 -0.524 -1.159) 1.286 ======================= Grid point 130 (64/136) ======================= q-point: ( 0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.110 0.513 6.511) 6.864 0.980 ( 1.087 -3.528 1.319) 3.920 1.062 ( -5.099 0.155 1.940) 5.458 1.154 ( 2.769 -1.922 1.289) 3.609 1.283 ( 0.202 1.233 1.777) 2.173 1.305 ( -7.315 1.116 -0.941) 7.459 1.358 ( -0.756 -0.717 -0.949) 1.409 1.471 ( 0.960 -2.956 2.820) 4.196 1.556 ( 0.018 -2.021 -2.109) 2.921 1.653 ( 1.259 -1.490 0.046) 1.951 1.723 ( -2.948 3.490 -2.967) 5.447 1.808 ( 1.253 0.533 -4.524) 4.724 1.970 ( 1.534 5.049 -1.336) 5.444 2.219 ( -0.601 -2.878 -1.999) 3.555 2.365 ( 0.063 0.921 2.043) 2.242 2.379 ( 1.293 2.207 1.314) 2.876 2.430 ( 0.063 -0.245 -1.851) 1.869 2.476 ( 0.424 -2.204 -5.438) 5.883 2.532 ( -0.703 -1.872 0.726) 2.127 2.648 ( 2.459 2.843 5.395) 6.576 3.424 ( -2.165 -0.516 -2.184) 3.118 3.486 ( -4.565 -4.317 -6.084) 8.746 3.589 ( -0.010 -1.664 0.202) 1.676 3.661 ( 0.201 -0.647 1.071) 1.267 3.962 ( -2.362 0.366 -1.326) 2.733 4.058 ( -0.748 1.126 -3.121) 3.401 4.117 ( 2.299 -1.254 3.044) 4.016 4.242 ( 3.515 -1.745 3.637) 5.351 5.816 ( 0.207 0.527 -0.159) 0.588 5.867 ( 0.768 0.606 0.495) 1.096 5.886 ( -0.286 -0.324 0.300) 0.526 5.918 ( -0.090 0.290 0.004) 0.304 6.354 ( -0.336 0.692 0.408) 0.871 6.451 ( -0.029 -0.807 -0.203) 0.832 6.493 ( -0.566 0.487 1.416) 1.600 6.557 ( 1.125 -0.588 -0.609) 1.408 ======================= Grid point 131 (65/136) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -8.192 -1.985 2.023) 8.669 0.945 ( -2.973 1.735 7.421) 8.181 1.039 ( 0.297 2.106 -0.202) 2.136 1.153 ( -5.676 3.285 -0.600) 6.586 1.235 ( 2.631 -0.196 -1.201) 2.899 1.277 ( -1.535 2.839 -0.612) 3.285 1.349 ( 0.013 -4.157 3.189) 5.240 1.513 ( 1.649 -1.396 1.190) 2.466 1.554 ( 0.688 -0.680 -1.906) 2.137 1.627 ( -0.756 1.830 -2.457) 3.155 1.710 ( 0.932 2.605 -0.544) 2.820 1.821 ( 2.058 -1.451 -3.102) 3.995 2.000 ( 2.327 3.674 -1.157) 4.500 2.213 ( 0.904 -3.992 -1.273) 4.287 2.374 ( 0.150 -0.603 -0.001) 0.622 2.397 ( 0.270 1.394 -0.081) 1.423 2.427 ( 0.658 0.441 -0.462) 0.917 2.460 ( 0.896 -1.562 -4.807) 5.134 2.533 ( 0.017 -2.454 2.589) 3.567 2.709 ( 0.464 1.085 4.907) 5.047 3.334 ( -4.561 1.523 -6.104) 7.771 3.392 ( -2.472 0.940 -3.732) 4.574 3.579 ( -0.782 0.334 -0.444) 0.959 3.649 ( -1.385 2.349 -0.892) 2.869 3.927 ( -1.024 0.443 -0.303) 1.156 4.041 ( 0.285 0.707 -1.589) 1.763 4.174 ( 1.843 -2.342 3.343) 4.478 4.310 ( 2.090 -2.248 2.046) 3.689 5.824 ( 0.561 -0.114 0.215) 0.612 5.878 ( 0.168 0.036 0.444) 0.476 5.891 ( 0.381 -0.367 0.731) 0.902 5.913 ( -0.423 -0.016 -0.278) 0.507 6.356 ( 0.224 0.675 0.693) 0.993 6.439 ( -0.817 -0.619 -0.762) 1.277 6.486 ( -0.884 0.560 1.168) 1.568 6.580 ( 1.361 -0.810 -0.157) 1.592 ======================= Grid point 132 (66/136) ======================= q-point: (-0.38 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -10.247 0.926 5.731) 11.778 0.897 ( -7.186 4.391 5.600) 10.113 0.997 ( -5.146 8.072 1.106) 9.637 1.109 ( 0.577 2.839 2.125) 3.593 1.215 ( -1.058 1.341 -2.282) 2.851 1.257 ( -1.674 -2.778 -0.693) 3.317 1.399 ( 2.052 -2.027 4.073) 4.991 1.542 ( 1.850 -1.472 0.129) 2.368 1.566 ( 1.985 -0.699 -2.454) 3.233 1.636 ( 2.416 2.166 -2.163) 3.900 1.728 ( 1.762 2.820 -1.144) 3.517 1.844 ( 1.732 -2.120 -2.208) 3.517 2.037 ( 2.099 2.663 -0.847) 3.495 2.237 ( 2.521 -3.987 -1.850) 5.066 2.359 ( -0.985 -1.734 -2.431) 3.144 2.403 ( 0.557 2.021 -0.112) 2.099 2.444 ( 0.956 1.412 -0.143) 1.711 2.461 ( 1.787 -0.658 -4.228) 4.637 2.561 ( 0.681 -4.294 5.174) 6.758 2.697 ( -3.621 -3.307 1.343) 5.084 3.247 ( -1.887 8.052 -2.571) 8.661 3.327 ( -2.537 6.643 -3.497) 7.924 3.562 ( -0.795 1.518 -0.213) 1.727 3.616 ( -1.122 2.892 -0.874) 3.223 3.917 ( -0.050 0.191 -0.128) 0.235 4.043 ( 0.208 0.410 -0.223) 0.511 4.218 ( 1.198 -3.084 2.647) 4.237 4.340 ( 0.625 -1.994 0.199) 2.099 5.838 ( 0.760 -0.418 0.455) 0.979 5.883 ( 0.200 -0.265 0.318) 0.460 5.892 ( -0.746 -0.738 -0.184) 1.066 5.907 ( 0.163 -0.454 0.017) 0.483 6.368 ( 0.540 0.276 0.796) 1.000 6.418 ( -0.926 -0.398 -0.695) 1.224 6.474 ( -0.971 0.839 0.852) 1.541 6.601 ( 0.822 -0.984 -0.043) 1.283 ======================= Grid point 133 (67/136) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -5.364 6.409 11.153) 13.937 0.732 ( -11.034 10.384 -0.663) 15.166 0.917 ( -6.558 6.018 10.444) 13.722 1.137 ( -0.460 1.252 4.061) 4.275 1.193 ( -1.275 2.065 0.566) 2.492 1.234 ( 1.603 -2.923 -3.047) 4.517 1.434 ( 0.455 0.785 1.710) 1.936 1.592 ( 1.853 -2.660 -1.017) 3.398 1.602 ( 3.379 -1.859 0.262) 3.866 1.679 ( 3.817 1.360 -3.320) 5.238 1.763 ( 2.738 2.475 -2.260) 4.328 1.860 ( 1.203 -2.359 -1.678) 3.135 2.062 ( 0.939 1.804 -0.795) 2.183 2.273 ( 2.145 -3.607 -3.986) 5.788 2.326 ( -0.763 -2.252 -1.662) 2.901 2.413 ( 0.416 2.083 0.026) 2.124 2.453 ( 0.287 2.935 -0.923) 3.090 2.480 ( 2.930 -0.511 -4.969) 5.791 2.590 ( -2.250 -5.370 3.603) 6.847 2.628 ( -2.233 -3.541 2.341) 4.796 3.227 ( -0.336 12.097 0.615) 12.117 3.278 ( -0.476 8.477 -1.228) 8.579 3.548 ( -0.698 1.314 0.580) 1.597 3.611 ( 0.508 2.413 0.753) 2.578 3.920 ( 0.420 0.064 -0.323) 0.533 4.039 ( -0.879 0.616 0.810) 1.345 4.244 ( 0.299 -3.593 1.370) 3.857 4.337 ( -0.450 -1.713 -1.623) 2.402 5.854 ( 0.624 -0.409 0.310) 0.808 5.870 ( -1.056 -1.295 -1.036) 1.966 5.888 ( 0.161 -0.414 0.049) 0.447 5.912 ( 0.225 -0.188 0.229) 0.372 6.379 ( 0.042 -0.488 0.279) 0.563 6.404 ( -0.168 -0.047 0.161) 0.237 6.461 ( -0.830 1.272 0.628) 1.644 6.609 ( 0.137 -1.074 -0.135) 1.091 ======================= Grid point 134 (68/136) ======================= q-point: (-0.12 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -9.972 9.697 3.183) 14.269 0.605 ( -0.018 8.680 12.540) 15.251 0.873 ( -4.464 7.191 14.063) 16.414 1.130 ( -1.628 -1.180 2.985) 3.599 1.181 ( -0.958 2.311 3.630) 4.408 1.282 ( 4.206 -2.122 -2.423) 5.298 1.454 ( 1.633 1.348 -1.429) 2.555 1.611 ( 1.100 -2.543 -1.837) 3.325 1.641 ( 0.214 -1.490 1.661) 2.242 1.731 ( 2.210 -1.053 -2.391) 3.423 1.800 ( 2.662 3.025 -2.407) 4.694 1.879 ( 2.483 -3.359 -3.162) 5.239 2.057 ( -1.165 -0.091 -1.249) 1.711 2.252 ( -0.495 -1.429 -4.944) 5.170 2.334 ( 1.353 -1.904 -0.923) 2.511 2.415 ( -0.473 1.224 0.024) 1.313 2.444 ( -0.545 3.543 -0.987) 3.718 2.516 ( 3.968 -0.931 -6.162) 7.388 2.546 ( -1.881 -2.180 1.181) 3.112 2.614 ( -2.792 -1.883 3.274) 4.697 3.251 ( 2.593 8.928 3.017) 9.774 3.305 ( 2.238 5.667 3.319) 6.938 3.545 ( -0.212 0.893 1.256) 1.556 3.632 ( 0.809 1.804 1.788) 2.665 3.929 ( 0.763 0.147 -0.380) 0.865 4.023 ( -1.402 1.039 1.885) 2.569 4.240 ( -0.999 -3.754 -0.343) 3.899 4.307 ( -1.380 -1.647 -3.360) 3.988 5.845 ( -0.979 -1.396 -1.078) 2.017 5.863 ( 0.267 -0.324 -0.108) 0.433 5.891 ( 0.289 -0.305 -0.334) 0.537 5.918 ( 0.244 0.287 0.126) 0.397 6.376 ( -0.102 -0.555 0.042) 0.566 6.408 ( 0.049 -0.440 0.383) 0.586 6.453 ( -0.305 1.749 0.958) 2.017 6.605 ( -0.442 -1.023 -0.344) 1.167 ======================= Grid point 135 (69/136) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.200 12.647 3.925) 14.621 0.773 ( -3.531 6.039 10.063) 12.256 1.028 ( -1.666 -3.522 3.935) 5.537 1.139 ( -3.125 -7.355 2.511) 8.376 1.170 ( 3.804 7.909 3.048) 9.291 1.336 ( 0.656 4.142 2.169) 4.721 1.474 ( 0.846 -1.395 -1.698) 2.354 1.519 ( -0.344 -5.835 -1.914) 6.150 1.592 ( -2.480 -2.821 0.801) 3.841 1.619 ( -2.457 -4.055 -1.534) 4.983 1.823 ( -0.091 0.391 -3.625) 3.647 1.900 ( 3.927 -1.923 -3.943) 5.888 2.073 ( 1.399 6.094 -1.305) 6.388 2.275 ( 2.146 -1.661 -3.717) 4.602 2.350 ( 1.160 3.612 -0.061) 3.794 2.408 ( -1.330 0.981 -0.269) 1.674 2.481 ( 0.005 0.353 -0.776) 0.852 2.505 ( 0.424 -1.841 -2.411) 3.063 2.507 ( 0.714 -1.250 0.494) 1.522 2.546 ( -1.026 -2.225 1.742) 3.007 3.413 ( -1.156 4.949 -0.434) 5.101 3.441 ( 0.155 3.532 0.813) 3.627 3.553 ( -0.595 -0.904 -0.130) 1.090 3.627 ( -2.270 -2.565 -1.342) 3.679 3.967 ( 1.291 1.903 0.637) 2.386 4.068 ( 0.508 2.826 1.777) 3.376 4.123 ( -1.279 -4.592 -0.714) 4.820 4.199 ( -1.641 -3.186 -3.789) 5.215 5.819 ( 0.098 0.402 -0.053) 0.418 5.858 ( 0.209 -0.595 -0.003) 0.631 5.895 ( 0.558 0.166 0.082) 0.588 5.921 ( -0.047 -0.389 0.188) 0.435 6.375 ( 0.348 0.095 0.127) 0.382 6.396 ( 0.073 -0.624 -0.040) 0.630 6.495 ( -0.031 1.796 0.728) 1.938 6.565 ( -0.573 -1.507 -0.500) 1.689 ======================= Grid point 136 (70/136) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 2.857 6.015 10.567) 12.490 0.782 ( -0.794 4.464 9.709) 10.716 1.030 ( -0.339 -5.412 3.430) 6.417 1.076 ( -3.423 -10.748 0.103) 11.280 1.262 ( 4.761 6.602 -0.482) 8.154 1.347 ( -1.390 3.448 3.137) 4.864 1.455 ( -3.120 -2.640 2.449) 4.764 1.504 ( -0.596 -5.195 -0.974) 5.319 1.537 ( -2.073 -1.962 -1.379) 3.170 1.576 ( -1.590 -2.447 -2.132) 3.614 1.802 ( 0.158 1.714 -3.789) 4.162 1.923 ( 0.683 -2.465 -4.663) 5.319 2.089 ( 0.928 7.307 -1.702) 7.560 2.278 ( 0.126 -1.749 -3.871) 4.250 2.366 ( 0.707 2.415 -0.416) 2.551 2.393 ( -0.330 2.324 1.193) 2.633 2.476 ( -0.080 1.012 -0.801) 1.293 2.487 ( -0.357 -2.723 -4.499) 5.270 2.527 ( -0.282 0.326 1.727) 1.779 2.546 ( 1.223 -0.276 2.337) 2.652 3.406 ( 0.124 -0.331 1.725) 1.761 3.464 ( 1.094 -0.288 2.509) 2.753 3.535 ( -0.817 -2.366 -0.801) 2.628 3.567 ( -2.607 -4.779 -3.260) 6.345 3.997 ( 1.353 1.290 1.153) 2.196 4.085 ( -2.177 -2.756 -1.380) 3.774 4.099 ( 1.659 1.686 2.057) 3.135 4.154 ( -0.909 -1.160 -3.584) 3.875 5.826 ( 0.446 0.935 0.356) 1.095 5.859 ( 0.099 -0.182 -0.391) 0.442 5.906 ( 0.416 0.299 0.255) 0.572 5.917 ( -0.283 -0.147 -0.141) 0.349 6.380 ( -0.008 0.280 -0.008) 0.280 6.403 ( 0.720 -0.600 0.235) 0.966 6.499 ( 0.022 1.247 0.934) 1.558 6.551 ( -0.602 -1.143 -0.686) 1.462 ======================= Grid point 137 (71/136) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 6.442 1.803 9.132) 11.320 0.847 ( 2.306 2.088 8.953) 9.478 1.020 ( -0.732 -7.807 0.164) 7.843 1.069 ( 0.692 -5.307 4.996) 7.322 1.301 ( -4.586 1.379 2.116) 5.236 1.342 ( 3.727 3.328 -1.395) 5.187 1.407 ( -3.219 -3.310 3.344) 5.701 1.455 ( -3.602 0.390 -0.617) 3.676 1.513 ( -0.225 -3.461 -2.806) 4.461 1.559 ( 1.241 -2.971 -0.440) 3.249 1.793 ( 0.865 2.007 -3.510) 4.135 1.885 ( -1.463 -0.642 -5.202) 5.442 2.086 ( -0.018 6.405 -2.091) 6.738 2.239 ( -1.878 -0.988 -3.894) 4.435 2.373 ( 0.106 0.394 -0.152) 0.436 2.402 ( 0.290 1.513 0.756) 1.716 2.454 ( -0.217 -2.313 -4.435) 5.006 2.470 ( -0.094 2.049 -0.961) 2.265 2.516 ( -0.956 1.007 0.020) 1.389 2.610 ( 2.787 0.982 4.635) 5.497 3.423 ( 0.081 -1.749 1.965) 2.632 3.468 ( -2.184 -4.663 -1.828) 5.464 3.521 ( 0.051 -2.935 -0.530) 2.983 3.546 ( 2.083 -4.004 2.616) 5.217 4.017 ( -0.777 0.254 -0.230) 0.849 4.044 ( -0.385 -0.973 0.239) 1.073 4.125 ( -0.311 0.740 -2.918) 3.026 4.147 ( 2.135 -0.243 1.862) 2.843 5.835 ( 0.215 1.022 0.031) 1.044 5.861 ( 0.366 -0.009 -0.225) 0.430 5.902 ( -0.615 0.608 -0.179) 0.883 5.919 ( 0.235 -0.056 0.238) 0.339 6.377 ( -0.244 0.874 0.146) 0.919 6.420 ( 0.781 -1.052 0.448) 1.385 6.504 ( -0.052 0.787 0.919) 1.211 6.539 ( -0.181 -0.823 -0.685) 1.087 ======================= Grid point 138 (72/136) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.896 1.927 5.159) 5.580 0.944 ( 2.616 0.139 5.106) 5.739 1.057 ( 2.382 -2.009 5.072) 5.952 1.107 ( -0.022 -1.804 5.655) 5.936 1.229 ( -3.037 -2.982 3.188) 5.317 1.312 ( -4.929 -0.838 0.568) 5.032 1.402 ( -1.401 2.031 -1.278) 2.779 1.432 ( 3.360 0.431 -0.081) 3.389 1.508 ( 1.460 -2.230 -1.915) 3.282 1.595 ( 1.895 -3.818 0.517) 4.293 1.787 ( 0.073 2.559 -3.070) 3.998 1.836 ( -0.263 1.084 -4.969) 5.093 2.073 ( 0.003 4.715 -2.202) 5.204 2.178 ( -2.174 -1.168 -3.710) 4.456 2.364 ( -0.575 -0.612 -1.019) 1.321 2.405 ( 0.456 -1.175 -2.422) 2.730 2.441 ( 0.147 0.455 -0.906) 1.025 2.465 ( 0.334 3.141 -1.025) 3.321 2.500 ( -0.584 -0.479 0.246) 0.795 2.672 ( 0.829 -1.299 3.504) 3.828 3.414 ( -1.341 -1.586 -2.282) 3.086 3.426 ( -0.202 0.747 0.978) 1.247 3.545 ( 1.379 -2.512 2.296) 3.672 3.612 ( 2.500 -3.829 3.604) 5.823 3.979 ( -1.769 1.372 -1.137) 2.512 4.061 ( 0.413 -1.738 1.680) 2.452 4.109 ( 0.391 1.466 -2.472) 2.901 4.198 ( 2.227 -2.338 1.780) 3.687 5.833 ( -0.103 1.044 -0.540) 1.180 5.870 ( 0.527 -0.458 0.193) 0.725 5.890 ( -0.574 0.793 -0.075) 0.982 5.919 ( -0.308 -0.269 0.023) 0.409 6.374 ( -0.197 1.228 0.480) 1.333 6.430 ( -0.094 -1.258 0.335) 1.306 6.506 ( -0.258 0.730 0.649) 1.011 6.541 ( 0.727 -0.910 -0.286) 1.199 ======================= Grid point 139 (73/136) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -5.870 3.187 4.992) 8.339 0.988 ( -0.985 1.669 5.789) 6.105 1.086 ( -0.186 2.085 3.732) 4.279 1.143 ( -0.205 -0.586 4.838) 4.878 1.242 ( -2.616 -2.941 3.674) 5.385 1.257 ( 2.483 -2.198 2.803) 4.342 1.369 ( -1.146 4.351 -3.446) 5.667 1.483 ( 2.074 -1.456 -0.456) 2.575 1.539 ( 1.936 -0.148 -0.582) 2.026 1.626 ( 1.388 -2.528 0.276) 2.898 1.774 ( 1.174 3.793 -4.201) 5.781 1.824 ( 0.878 1.216 -2.709) 3.096 2.066 ( 0.625 2.548 -2.373) 3.538 2.137 ( 0.138 -2.935 -3.111) 4.279 2.352 ( 0.199 -0.829 -1.898) 2.081 2.392 ( 0.191 -2.082 -4.014) 4.526 2.440 ( -0.331 1.636 1.242) 2.081 2.476 ( 1.174 2.451 -0.670) 2.799 2.499 ( 0.018 -1.158 0.951) 1.499 2.665 ( -2.478 -4.908 0.340) 5.508 3.406 ( 0.705 4.546 0.698) 4.653 3.436 ( 0.585 3.541 1.531) 3.902 3.581 ( 1.023 -0.386 1.992) 2.273 3.662 ( 1.023 -1.377 2.042) 2.667 3.949 ( -0.921 1.972 -0.665) 2.275 4.066 ( -0.192 0.614 0.244) 0.688 4.118 ( 1.066 -1.810 -0.262) 2.117 4.245 ( 1.800 -3.941 1.221) 4.501 5.830 ( 0.043 0.783 -0.313) 0.844 5.877 ( -0.059 -0.710 0.399) 0.817 5.884 ( -0.043 0.155 -0.210) 0.265 5.907 ( -0.783 -0.522 -0.407) 1.025 6.375 ( -0.121 1.065 0.681) 1.270 6.421 ( -0.814 -1.073 0.115) 1.351 6.503 ( -0.299 1.105 0.480) 1.241 6.558 ( 0.974 -1.326 0.031) 1.646 ======================= Grid point 140 (74/136) ======================= q-point: (-0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -6.073 7.282 8.220) 12.549 0.973 ( -3.821 2.635 6.670) 8.126 1.093 ( -1.965 -0.102 4.394) 4.814 1.167 ( 0.309 3.255 2.985) 4.427 1.227 ( -0.408 -0.765 3.189) 3.304 1.284 ( -3.462 2.944 -2.059) 4.989 1.349 ( 2.794 0.308 -0.222) 2.820 1.504 ( 0.241 -2.150 0.450) 2.210 1.563 ( 1.522 0.563 -1.420) 2.156 1.657 ( 1.877 -1.300 -0.387) 2.315 1.787 ( 2.402 3.160 -4.159) 5.749 1.834 ( 1.310 1.420 -1.640) 2.534 2.069 ( 0.947 0.211 -2.770) 2.935 2.151 ( 2.699 -4.329 -2.451) 5.660 2.334 ( -0.826 -0.427 -3.196) 3.328 2.396 ( 2.384 -2.747 -2.054) 4.178 2.443 ( -0.089 1.134 1.329) 1.750 2.493 ( 0.748 1.593 -0.911) 1.982 2.505 ( 0.026 -1.283 1.432) 1.922 2.607 ( -2.891 -4.377 -0.831) 5.311 3.428 ( 0.406 7.731 1.678) 7.921 3.462 ( 1.109 5.992 1.837) 6.364 3.602 ( 0.240 2.340 1.214) 2.647 3.670 ( -0.621 1.549 0.155) 1.676 3.936 ( -0.252 2.075 -0.462) 2.141 4.067 ( 0.291 1.971 0.059) 1.994 4.134 ( 0.474 -4.545 0.769) 4.634 4.273 ( 0.802 -4.603 0.032) 4.672 5.832 ( 0.248 0.021 0.243) 0.348 5.870 ( -0.995 -1.347 -0.657) 1.799 5.882 ( 0.119 0.092 0.071) 0.166 5.897 ( -0.002 -0.539 -0.039) 0.541 6.376 ( -0.110 0.507 0.554) 0.759 6.405 ( -0.863 -0.781 0.159) 1.175 6.500 ( -0.312 1.633 0.337) 1.696 6.573 ( 0.586 -1.646 0.084) 1.749 ======================= Grid point 141 (75/136) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -2.139 9.590 10.462) 14.353 0.918 ( -5.817 6.644 3.476) 9.490 1.062 ( -4.082 3.901 6.971) 8.971 1.143 ( -4.388 3.313 0.107) 5.499 1.205 ( -2.085 0.670 2.417) 3.262 1.262 ( 2.129 2.752 0.545) 3.522 1.411 ( 3.287 -2.420 -0.860) 4.171 1.510 ( 0.453 -3.835 0.990) 3.987 1.585 ( 1.486 -0.442 -1.245) 1.988 1.681 ( 1.095 -2.321 -1.464) 2.955 1.809 ( 2.051 1.529 -3.519) 4.351 1.850 ( 1.279 1.746 -2.065) 2.992 2.065 ( 0.275 -0.696 -2.901) 2.996 2.199 ( 3.642 -4.194 -2.869) 6.252 2.309 ( 0.249 1.451 -2.196) 2.644 2.441 ( 2.703 -1.664 -1.991) 3.747 2.447 ( -0.016 -0.242 1.143) 1.169 2.493 ( -0.027 -0.771 -0.225) 0.804 2.513 ( -0.253 -0.411 0.984) 1.096 2.565 ( -1.254 -2.287 -0.142) 2.612 3.433 ( -0.547 8.021 1.079) 8.111 3.488 ( 0.581 8.684 0.424) 8.714 3.587 ( -2.094 2.997 -0.245) 3.664 3.662 ( -0.023 2.105 0.586) 2.185 3.934 ( 0.333 1.835 -0.335) 1.895 4.069 ( -0.352 2.753 0.336) 2.796 4.144 ( 0.024 -6.090 0.858) 6.150 4.273 ( -0.348 -4.652 -1.535) 4.912 5.840 ( 0.333 -0.790 0.610) 1.052 5.844 ( -0.994 -1.057 -1.057) 1.795 5.884 ( 0.136 0.097 -0.230) 0.284 5.904 ( 0.490 -0.578 0.618) 0.978 6.374 ( -0.276 0.089 0.159) 0.331 6.396 ( -0.299 -0.666 0.358) 0.813 6.496 ( -0.281 2.036 0.297) 2.077 6.580 ( 0.073 -1.788 -0.046) 1.790 ======================= Grid point 142 (76/136) ======================= q-point: (-0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -7.092 10.473 3.714) 13.182 0.787 ( -4.721 10.327 5.131) 12.461 1.043 ( -2.532 2.746 7.119) 8.039 1.095 ( -0.483 4.329 4.781) 6.468 1.184 ( -2.417 -2.962 2.948) 4.827 1.304 ( 1.914 3.665 0.576) 4.175 1.453 ( 2.369 -1.460 -2.394) 3.671 1.526 ( 0.627 -5.572 -0.846) 5.670 1.602 ( 0.470 -2.013 0.380) 2.102 1.673 ( -1.525 -4.734 -1.253) 5.129 1.830 ( 2.111 -0.501 -3.754) 4.336 1.856 ( 1.508 1.084 -3.079) 3.595 2.059 ( 0.781 2.421 -1.897) 3.174 2.245 ( 3.122 -2.399 -3.644) 5.365 2.324 ( 1.727 2.846 -0.638) 3.390 2.434 ( -1.055 0.792 -0.255) 1.344 2.478 ( 1.557 -1.632 -1.894) 2.945 2.495 ( 0.541 -0.832 -0.536) 1.128 2.507 ( -0.496 -0.814 0.636) 1.145 2.553 ( -0.691 -2.914 1.342) 3.282 3.426 ( -0.576 6.526 0.979) 6.624 3.468 ( -1.736 10.067 -2.830) 10.600 3.559 ( -0.740 0.091 1.084) 1.316 3.660 ( -0.892 0.311 0.229) 0.972 3.945 ( 0.876 1.843 0.023) 2.040 4.062 ( -0.576 2.971 1.019) 3.193 4.141 ( -0.599 -5.811 0.126) 5.843 4.246 ( -1.273 -4.325 -2.953) 5.389 5.824 ( -0.488 -0.423 -0.638) 0.908 5.851 ( 0.387 -0.964 0.443) 1.129 5.887 ( 0.313 0.199 -0.170) 0.408 5.916 ( 0.345 -0.524 0.562) 0.843 6.371 ( -0.042 0.113 0.086) 0.148 6.395 ( 0.002 -0.784 0.158) 0.799 6.493 ( -0.165 2.112 0.453) 2.167 6.576 ( -0.329 -1.740 -0.266) 1.791 ======================= Grid point 143 (77/136) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -4.156 -4.705 5.186) 8.142 0.875 ( -4.156 4.705 5.186) 8.142 0.938 ( -5.478 -3.057 0.680) 6.310 0.938 ( -5.478 3.057 0.680) 6.310 1.348 ( 2.558 -7.597 0.250) 8.020 1.348 ( 2.558 7.597 0.250) 8.020 1.439 ( -1.326 -3.017 3.038) 4.483 1.439 ( -1.326 3.017 3.038) 4.483 1.566 ( -1.020 -1.087 -2.076) 2.555 1.566 ( -1.020 1.087 -2.076) 2.555 1.852 ( 1.444 -2.254 -3.056) 4.063 1.852 ( 1.444 2.254 -3.056) 4.063 2.199 ( 2.709 -5.433 -3.154) 6.842 2.199 ( 2.709 5.433 -3.154) 6.842 2.426 ( -0.197 -2.552 -1.624) 3.032 2.426 ( -0.197 2.552 -1.624) 3.032 2.456 ( 0.334 -2.729 1.785) 3.278 2.456 ( 0.334 2.729 1.785) 3.278 2.513 ( 0.275 -0.765 0.353) 0.886 2.513 ( 0.275 0.765 0.353) 0.886 3.498 ( -2.191 -2.043 -0.275) 3.008 3.498 ( -2.191 2.043 -0.275) 3.008 3.548 ( -2.772 -4.189 -4.031) 6.441 3.548 ( -2.772 4.189 -4.031) 6.441 4.029 ( 0.357 -4.137 0.415) 4.173 4.029 ( 0.357 4.137 0.415) 4.173 4.131 ( -0.298 -3.317 -0.851) 3.438 4.131 ( -0.298 3.317 -0.851) 3.438 5.837 ( 0.462 -1.199 0.272) 1.314 5.837 ( 0.462 1.199 0.272) 1.314 5.907 ( 0.221 -0.848 0.373) 0.952 5.907 ( 0.221 0.848 0.373) 0.952 6.383 ( 0.282 -0.595 -0.011) 0.658 6.383 ( 0.282 0.595 -0.011) 0.658 6.532 ( -0.301 -1.787 -0.034) 1.813 6.532 ( -0.301 1.787 -0.034) 1.813 ======================= Grid point 145 (78/136) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.060 -11.760 3.770) 12.520 0.823 ( -2.060 11.760 3.770) 12.520 0.904 ( -0.882 -6.483 5.265) 8.398 0.904 ( -0.882 6.483 5.265) 8.398 1.386 ( 1.561 -5.583 -1.976) 6.124 1.386 ( 1.561 5.583 -1.976) 6.124 1.412 ( -2.954 -2.690 4.498) 6.016 1.412 ( -2.954 2.690 4.498) 6.016 1.533 ( -1.358 -1.499 -2.409) 3.146 1.533 ( -1.358 1.499 -2.409) 3.146 1.858 ( 0.873 -3.458 -3.708) 5.145 1.858 ( 0.873 3.458 -3.708) 5.145 2.215 ( 0.951 -4.702 -3.746) 6.087 2.215 ( 0.951 4.702 -3.746) 6.087 2.407 ( -0.789 -2.290 -1.396) 2.796 2.407 ( -0.789 2.290 -1.396) 2.796 2.458 ( -0.411 -1.670 -0.064) 1.721 2.458 ( -0.411 1.670 -0.064) 1.721 2.547 ( 2.047 -0.238 3.092) 3.716 2.547 ( 2.047 0.238 3.092) 3.716 3.443 ( -2.757 -3.132 -1.561) 4.455 3.443 ( -2.757 3.132 -1.561) 4.455 3.500 ( -0.770 -0.415 -1.638) 1.857 3.500 ( -0.770 0.415 -1.638) 1.857 4.033 ( -0.167 -2.231 0.224) 2.248 4.033 ( -0.167 2.231 0.224) 2.248 4.129 ( 0.483 -1.327 -0.679) 1.567 4.129 ( 0.483 1.327 -0.679) 1.567 5.847 ( 0.399 -0.976 0.127) 1.062 5.847 ( 0.399 0.976 0.127) 1.062 5.912 ( 0.146 -0.322 0.304) 0.466 5.912 ( 0.146 0.322 0.304) 0.466 6.390 ( 0.417 -0.630 0.089) 0.760 6.390 ( 0.417 0.630 0.089) 0.760 6.526 ( -0.300 -1.309 -0.011) 1.343 6.526 ( -0.300 1.309 -0.011) 1.343 ======================= Grid point 147 (79/136) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 2.659 -5.852 6.628) 9.233 0.863 ( 2.659 5.852 6.628) 9.233 0.944 ( 2.188 -5.788 5.160) 8.057 0.944 ( 2.188 5.788 5.160) 8.057 1.339 ( -5.136 -2.981 3.167) 6.730 1.339 ( -5.136 2.981 3.167) 6.730 1.426 ( 1.769 -3.923 -2.021) 4.754 1.426 ( 1.769 3.923 -2.021) 4.754 1.500 ( -0.638 -2.516 -0.732) 2.697 1.500 ( -0.638 2.516 -0.732) 2.697 1.845 ( 0.296 -2.753 -4.514) 5.295 1.845 ( 0.296 2.753 -4.514) 5.295 2.195 ( -0.957 -3.851 -3.612) 5.366 2.195 ( -0.957 3.851 -3.612) 5.366 2.384 ( -0.571 -1.381 -2.080) 2.562 2.384 ( -0.571 1.381 -2.080) 2.562 2.455 ( 0.010 -1.419 0.563) 1.527 2.455 ( 0.010 1.419 0.563) 1.527 2.594 ( 0.978 -3.116 1.721) 3.691 2.594 ( 0.978 3.116 1.721) 3.691 3.405 ( -0.556 -0.853 0.219) 1.042 3.405 ( -0.556 0.853 0.219) 1.042 3.497 ( 0.669 -0.689 0.858) 1.288 3.497 ( 0.669 0.689 0.858) 1.288 4.027 ( -0.518 -0.663 0.045) 0.843 4.027 ( -0.518 0.663 0.045) 0.843 4.139 ( 0.812 -0.585 -0.613) 1.173 4.139 ( 0.812 0.585 -0.613) 1.173 5.853 ( 0.229 -0.706 -0.106) 0.750 5.853 ( 0.229 0.706 -0.106) 0.750 5.914 ( -0.115 -0.429 0.137) 0.465 5.914 ( -0.115 0.429 0.137) 0.465 6.398 ( 0.306 -1.131 0.298) 1.209 6.398 ( 0.306 1.131 0.298) 1.209 6.521 ( -0.135 -0.875 0.048) 0.886 6.521 ( -0.135 0.875 0.048) 0.886 ======================= Grid point 149 (80/136) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.016 -2.202 5.645) 6.144 0.939 ( 1.016 2.202 5.645) 6.144 1.044 ( 4.776 -2.877 6.674) 8.697 1.044 ( 4.776 2.877 6.674) 8.697 1.253 ( -5.590 -3.750 3.501) 7.588 1.253 ( -5.590 3.750 3.501) 7.588 1.436 ( 1.272 -1.788 -3.726) 4.324 1.436 ( 1.272 1.788 -3.726) 4.324 1.516 ( 1.791 -3.391 1.610) 4.160 1.516 ( 1.791 3.391 1.610) 4.160 1.829 ( 0.738 -1.519 -4.430) 4.741 1.829 ( 0.738 1.519 -4.430) 4.741 2.148 ( -1.823 -2.458 -3.398) 4.573 2.148 ( -1.823 2.458 -3.398) 4.573 2.367 ( 0.077 -1.352 -2.739) 3.056 2.367 ( 0.077 1.352 -2.739) 3.056 2.463 ( 0.345 -1.242 1.089) 1.688 2.463 ( 0.345 1.242 1.089) 1.688 2.590 ( -1.431 -5.979 -0.928) 6.218 2.590 ( -1.431 5.979 -0.928) 6.218 3.425 ( 1.535 -1.563 2.812) 3.565 3.425 ( 1.535 1.563 2.812) 3.565 3.535 ( 2.278 -2.609 3.050) 4.615 3.535 ( 2.278 2.609 3.050) 4.615 4.016 ( -0.547 -2.225 0.081) 2.292 4.016 ( -0.547 2.225 0.081) 2.292 4.151 ( 0.848 -2.315 -0.708) 2.565 4.151 ( 0.848 2.315 -0.708) 2.565 5.855 ( 0.092 -1.006 -0.274) 1.047 5.855 ( 0.092 1.006 -0.274) 1.047 5.908 ( -0.552 -0.822 -0.143) 1.000 5.908 ( -0.552 0.822 -0.143) 1.000 6.402 ( -0.128 -1.430 0.478) 1.513 6.402 ( -0.128 1.430 0.478) 1.513 6.522 ( 0.205 -0.910 0.139) 0.943 6.522 ( 0.205 0.910 0.139) 0.943 ======================= Grid point 151 (81/136) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -2.418 -4.367 5.238) 7.235 0.953 ( -2.418 4.367 5.238) 7.235 1.141 ( -0.347 -4.163 7.449) 8.540 1.141 ( -0.347 4.163 7.449) 8.540 1.206 ( 0.281 -3.576 3.202) 4.808 1.206 ( 0.281 3.576 3.202) 4.808 1.442 ( 1.246 -2.853 -3.041) 4.352 1.442 ( 1.246 2.853 -3.041) 4.352 1.565 ( 2.258 -2.571 1.201) 3.626 1.565 ( 2.258 2.571 1.201) 3.626 1.830 ( 1.717 -1.241 -3.656) 4.225 1.830 ( 1.717 1.241 -3.656) 4.225 2.100 ( -1.106 -1.154 -3.641) 3.977 2.100 ( -1.106 1.154 -3.641) 3.977 2.355 ( 0.275 -1.183 -3.298) 3.515 2.355 ( 0.275 1.183 -3.298) 3.515 2.473 ( -0.091 -1.464 1.064) 1.812 2.473 ( -0.091 1.464 1.064) 1.812 2.554 ( -1.260 -5.108 -1.203) 5.397 2.554 ( -1.260 5.108 -1.203) 5.397 3.475 ( 1.762 -1.660 3.452) 4.216 3.475 ( 1.762 1.660 3.452) 4.216 3.603 ( 2.645 -3.451 3.811) 5.782 3.603 ( 2.645 3.451 3.811) 5.782 4.010 ( -0.191 -3.822 0.303) 3.838 4.010 ( -0.191 3.822 0.303) 3.838 4.161 ( 0.695 -3.974 -0.878) 4.129 4.161 ( 0.695 3.974 -0.878) 4.129 5.853 ( -0.157 -1.357 -0.386) 1.420 5.853 ( -0.157 1.357 -0.386) 1.420 5.894 ( -0.636 -0.684 -0.284) 0.976 5.894 ( -0.636 0.684 -0.284) 0.976 6.398 ( -0.554 -1.200 0.527) 1.423 6.398 ( -0.554 1.200 0.527) 1.423 6.529 ( 0.385 -1.417 0.215) 1.484 6.529 ( 0.385 1.417 0.215) 1.484 ======================= Grid point 153 (82/136) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.943 -6.305 6.600) 9.590 0.929 ( -2.943 6.305 6.600) 9.590 1.139 ( -2.235 -4.739 6.620) 8.443 1.139 ( -2.235 4.739 6.620) 8.443 1.256 ( 1.563 -3.065 2.585) 4.304 1.256 ( 1.563 3.065 2.585) 4.304 1.441 ( 0.092 -4.413 -2.507) 5.076 1.441 ( 0.092 4.413 -2.507) 5.076 1.601 ( 1.147 -3.049 -0.273) 3.269 1.601 ( 1.147 3.049 -0.273) 3.269 1.846 ( 1.655 -1.433 -3.203) 3.880 1.846 ( 1.655 1.433 -3.203) 3.880 2.078 ( 0.974 -2.032 -3.298) 3.994 2.078 ( 0.974 2.032 -3.298) 3.994 2.348 ( 1.050 -1.724 -2.768) 3.426 2.348 ( 1.050 1.724 -2.768) 3.426 2.470 ( -0.547 -1.536 0.679) 1.767 2.470 ( -0.547 1.536 0.679) 1.767 2.539 ( -0.123 -2.456 -0.464) 2.503 2.539 ( -0.123 2.456 -0.464) 2.503 3.519 ( 1.013 -1.143 2.753) 3.148 3.519 ( 1.013 1.143 2.753) 3.148 3.658 ( 1.238 -2.527 2.410) 3.705 3.658 ( 1.238 2.527 2.410) 3.705 4.011 ( 0.011 -5.095 0.401) 5.111 4.011 ( 0.011 5.095 0.401) 5.111 4.166 ( 0.287 -5.365 -1.004) 5.466 4.166 ( 0.287 5.365 -1.004) 5.466 5.843 ( -0.576 -1.056 -0.477) 1.294 5.843 ( -0.576 1.056 -0.477) 1.294 5.887 ( -0.012 -0.386 -0.005) 0.386 5.887 ( -0.012 0.386 -0.005) 0.386 6.389 ( -0.609 -0.766 0.439) 1.073 6.389 ( -0.609 0.766 0.439) 1.073 6.537 ( 0.225 -1.903 0.192) 1.925 6.537 ( 0.225 1.903 0.192) 1.925 ======================= Grid point 155 (83/136) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.406 -5.776 7.324) 9.632 0.919 ( -2.406 5.776 7.324) 9.632 1.135 ( -2.274 -5.428 5.192) 7.848 1.135 ( -2.274 5.428 5.192) 7.848 1.274 ( -0.274 -2.663 0.525) 2.728 1.274 ( -0.274 2.663 0.525) 2.728 1.426 ( -0.172 -4.248 -1.097) 4.390 1.426 ( -0.172 4.248 -1.097) 4.390 1.607 ( 0.154 -3.149 -1.463) 3.476 1.607 ( 0.154 3.149 -1.463) 3.476 1.850 ( 0.682 -1.872 -3.233) 3.798 1.850 ( 0.682 1.872 -3.233) 3.798 2.103 ( 3.069 -4.414 -2.386) 5.882 2.103 ( 3.069 4.414 -2.386) 5.882 2.369 ( 2.304 -3.743 -1.343) 4.596 2.369 ( 2.304 3.743 -1.343) 4.596 2.464 ( -0.496 -1.076 0.535) 1.300 2.464 ( -0.496 1.076 0.535) 1.300 2.533 ( -0.350 -1.205 -0.697) 1.436 2.533 ( -0.350 1.205 -0.697) 1.436 3.538 ( -0.138 -2.043 1.353) 2.455 3.538 ( -0.138 2.043 1.353) 2.455 3.667 ( -0.979 -2.332 -0.022) 2.529 3.667 ( -0.979 2.332 -0.022) 2.529 4.013 ( 0.059 -5.885 0.272) 5.892 4.013 ( 0.059 5.885 0.272) 5.892 4.161 ( -0.272 -5.790 -0.994) 5.881 4.161 ( -0.272 5.790 -0.994) 5.881 5.832 ( -0.355 -0.090 -0.231) 0.433 5.832 ( -0.355 0.090 -0.231) 0.433 5.892 ( 0.334 -0.573 0.287) 0.722 5.892 ( 0.334 0.573 0.287) 0.722 6.382 ( -0.339 -0.597 0.252) 0.731 6.382 ( -0.339 0.597 0.252) 0.731 6.539 ( -0.042 -2.143 0.091) 2.145 6.539 ( -0.042 2.143 0.091) 2.145 ======================= Grid point 157 (84/136) ======================= q-point: (-0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -3.137 -4.049 7.079) 8.738 0.907 ( -3.137 4.049 7.079) 8.738 1.066 ( -6.532 -7.463 -0.547) 9.933 1.066 ( -6.532 7.463 -0.547) 9.933 1.294 ( 2.130 -8.514 1.904) 8.981 1.294 ( 2.130 8.514 1.904) 8.981 1.432 ( 0.447 -2.654 1.206) 2.949 1.432 ( 0.447 2.654 1.206) 2.949 1.593 ( -0.709 -1.908 -1.647) 2.618 1.593 ( -0.709 1.908 -1.647) 2.618 1.846 ( 0.888 -1.318 -3.124) 3.505 1.846 ( 0.888 1.318 -3.124) 3.505 2.154 ( 3.553 -5.584 -2.475) 7.066 2.154 ( 3.553 5.584 -2.475) 7.066 2.410 ( 2.286 -4.476 -0.580) 5.059 2.410 ( 2.286 4.476 -0.580) 5.059 2.455 ( -0.841 -1.547 0.782) 1.927 2.455 ( -0.841 1.547 0.782) 1.927 2.520 ( -0.455 -0.868 -0.909) 1.337 2.520 ( -0.455 0.868 -0.909) 1.337 3.529 ( -1.190 -3.324 0.153) 3.534 3.529 ( -1.190 3.324 0.153) 3.534 3.623 ( -2.874 -4.498 -2.584) 5.930 3.623 ( -2.874 4.498 -2.584) 5.930 4.019 ( 0.398 -5.435 0.348) 5.461 4.019 ( 0.398 5.435 0.348) 5.461 4.146 ( -0.645 -4.968 -0.938) 5.097 4.146 ( -0.645 4.968 -0.938) 5.097 5.830 ( 0.175 -0.855 0.137) 0.884 5.830 ( 0.175 0.855 0.137) 0.884 5.900 ( 0.310 -0.907 0.393) 1.036 5.900 ( 0.310 0.907 0.393) 1.036 6.380 ( 0.013 -0.668 0.062) 0.671 6.380 ( 0.013 0.668 0.062) 0.671 6.537 ( -0.220 -2.096 -0.002) 2.108 6.537 ( -0.220 2.096 -0.002) 2.108 ======================= Grid point 175 (85/136) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 1.548 0.000 11.706) 11.807 0.813 ( 3.095 0.000 9.832) 10.307 1.031 ( -1.953 0.000 5.606) 5.936 1.160 ( 1.607 0.000 -2.726) 3.164 1.291 ( 3.836 0.000 7.160) 8.123 1.362 ( 5.374 0.000 -0.304) 5.383 1.425 ( -4.752 0.000 1.888) 5.113 1.615 ( 0.202 0.000 -1.436) 1.450 1.651 ( -0.698 0.000 -1.689) 1.828 1.675 ( 0.440 0.000 -6.840) 6.854 1.764 ( 3.196 0.000 1.086) 3.376 1.867 ( -3.782 0.000 -2.799) 4.706 2.021 ( -4.647 0.000 1.211) 4.802 2.137 ( 2.172 0.000 -3.892) 4.457 2.296 ( -0.803 0.000 -0.761) 1.106 2.373 ( 0.214 0.000 0.117) 0.244 2.403 ( -0.248 0.000 -0.204) 0.321 2.420 ( 1.797 0.000 -6.359) 6.608 2.576 ( -0.678 0.000 1.127) 1.315 2.592 ( -0.627 0.000 0.385) 0.736 3.481 ( 4.622 0.000 5.380) 7.093 3.520 ( 1.188 0.000 5.823) 5.943 3.581 ( 3.699 0.000 3.489) 5.085 3.683 ( 0.492 0.000 1.072) 1.179 3.956 ( 2.071 0.000 1.720) 2.692 4.062 ( 1.519 0.000 2.940) 3.309 4.145 ( -3.326 0.000 -6.364) 7.180 4.193 ( -3.874 0.000 -3.080) 4.949 5.826 ( -1.093 0.000 -0.607) 1.250 5.834 ( -0.051 0.000 -1.078) 1.079 5.889 ( 0.112 0.000 -0.008) 0.112 5.904 ( 0.289 0.000 -0.729) 0.785 6.394 ( 1.033 0.000 0.200) 1.052 6.401 ( -1.155 0.000 -0.125) 1.162 6.494 ( 0.758 0.000 2.659) 2.765 6.579 ( -1.029 0.000 -1.492) 1.812 ======================= Grid point 176 (86/136) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.374 0.000 9.828) 9.924 0.913 ( 3.472 0.000 4.203) 5.451 1.037 ( 1.408 0.000 -1.695) 2.203 1.175 ( 0.539 0.000 -1.527) 1.619 1.337 ( -3.687 0.000 -0.393) 3.708 1.400 ( 1.565 0.000 9.279) 9.410 1.434 ( 2.008 0.000 -3.813) 4.310 1.586 ( -1.423 0.000 -2.725) 3.075 1.615 ( -2.314 0.000 -0.569) 2.383 1.663 ( 2.221 0.000 -4.651) 5.154 1.746 ( -6.249 0.000 -2.173) 6.616 1.814 ( 0.920 0.000 1.347) 1.631 1.921 ( -5.864 0.000 1.478) 6.047 2.186 ( 3.622 0.000 -1.625) 3.969 2.296 ( 0.787 0.000 0.195) 0.811 2.378 ( -0.113 0.000 1.678) 1.682 2.405 ( 0.584 0.000 -0.350) 0.681 2.416 ( 1.627 0.000 -6.902) 7.091 2.578 ( 0.184 0.000 1.539) 1.550 2.590 ( -0.064 0.000 0.691) 0.694 3.507 ( -2.319 0.000 -0.097) 2.321 3.568 ( 2.272 0.000 2.203) 3.164 3.665 ( -2.255 0.000 -2.499) 3.366 3.667 ( 1.670 0.000 2.322) 2.860 4.017 ( 2.213 0.000 2.815) 3.580 4.052 ( -2.578 0.000 -6.488) 6.982 4.109 ( -2.717 0.000 -1.569) 3.137 4.137 ( 3.975 0.000 4.856) 6.276 5.810 ( -0.423 0.000 0.055) 0.426 5.835 ( 0.541 0.000 -0.220) 0.584 5.891 ( 0.131 0.000 -0.000) 0.131 5.906 ( 0.268 0.000 -0.727) 0.775 6.379 ( -1.046 0.000 -0.034) 1.046 6.420 ( 1.528 0.000 0.194) 1.540 6.519 ( 0.322 0.000 2.749) 2.768 6.550 ( -1.042 0.000 -1.729) 2.018 ======================= Grid point 177 (87/136) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.244 0.000 6.272) 6.394 0.988 ( 3.629 0.000 -0.229) 3.637 1.043 ( 0.872 0.000 -6.351) 6.410 1.152 ( -1.459 0.000 -2.609) 2.990 1.306 ( 0.439 0.000 3.029) 3.061 1.347 ( -6.629 0.000 -6.299) 9.145 1.424 ( -3.603 0.000 3.340) 4.913 1.582 ( -0.899 0.000 1.638) 1.868 1.599 ( 1.722 0.000 0.151) 1.729 1.642 ( -2.795 0.000 -2.437) 3.708 1.693 ( 2.626 0.000 -2.885) 3.901 1.760 ( -5.613 0.000 0.266) 5.620 1.890 ( 0.131 0.000 3.858) 3.861 2.230 ( 1.903 0.000 -2.405) 3.067 2.325 ( 1.704 0.000 1.579) 2.323 2.387 ( 0.183 0.000 1.055) 1.071 2.410 ( 1.031 0.000 -4.432) 4.551 2.412 ( 0.274 0.000 -1.100) 1.133 2.598 ( 0.398 0.000 1.812) 1.855 2.606 ( 1.833 0.000 2.717) 3.277 3.444 ( -3.560 0.000 -3.432) 4.945 3.543 ( -5.197 0.000 -6.204) 8.093 3.617 ( 0.008 0.000 -1.506) 1.506 3.662 ( -2.057 0.000 -1.486) 2.538 3.994 ( -0.414 0.000 -4.082) 4.103 4.003 ( -2.696 0.000 0.027) 2.696 4.140 ( 3.137 0.000 4.383) 5.390 4.241 ( 4.078 0.000 3.846) 5.606 5.811 ( 0.315 0.000 0.796) 0.856 5.851 ( 0.958 0.000 0.537) 1.099 5.895 ( 0.273 0.000 0.254) 0.373 5.906 ( 0.157 0.000 -0.641) 0.660 6.363 ( -0.735 0.000 0.272) 0.783 6.444 ( 0.770 0.000 -0.350) 0.846 6.531 ( 0.259 0.000 -1.599) 1.620 6.533 ( -0.386 0.000 2.621) 2.649 ======================= Grid point 178 (88/136) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.438 0.000 2.606) 3.568 1.010 ( -1.393 0.000 -2.918) 3.233 1.030 ( 0.088 0.000 -0.682) 0.687 1.129 ( 1.228 0.000 -3.807) 4.001 1.186 ( -5.879 0.000 -3.974) 7.096 1.306 ( -7.071 0.000 1.935) 7.331 1.380 ( 3.016 0.000 0.333) 3.034 1.553 ( -3.440 0.000 -0.551) 3.484 1.579 ( -0.872 0.000 1.022) 1.344 1.664 ( 2.130 0.000 -0.564) 2.204 1.681 ( -3.471 0.000 3.556) 4.970 1.723 ( 2.843 0.000 -3.978) 4.889 1.922 ( 1.267 0.000 3.207) 3.448 2.228 ( 0.102 0.000 -4.410) 4.412 2.363 ( 1.175 0.000 1.863) 2.203 2.391 ( 0.344 0.000 -1.576) 1.613 2.400 ( -0.574 0.000 -1.695) 1.790 2.410 ( 0.401 0.000 -1.014) 1.090 2.634 ( 1.850 0.000 4.333) 4.711 2.676 ( 3.497 0.000 4.383) 5.607 3.335 ( -5.316 0.000 -6.562) 8.445 3.379 ( -6.896 0.000 -9.860) 12.032 3.602 ( -2.649 0.000 -1.861) 3.238 3.604 ( -0.711 0.000 -1.483) 1.645 3.962 ( -2.031 0.000 1.280) 2.401 3.989 ( 1.277 0.000 -2.172) 2.520 4.217 ( 2.378 0.000 4.216) 4.841 4.316 ( 2.427 0.000 1.614) 2.915 5.826 ( 0.589 0.000 1.137) 1.280 5.871 ( 0.801 0.000 0.486) 0.937 5.904 ( 0.353 0.000 0.514) 0.624 5.906 ( 0.180 0.000 -0.329) 0.375 6.357 ( -0.145 0.000 0.667) 0.683 6.438 ( -0.661 0.000 -1.266) 1.429 6.532 ( -1.114 0.000 2.345) 2.596 6.546 ( 1.901 0.000 -1.055) 2.174 ======================= Grid point 179 (89/136) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.314 0.000 3.179) 7.069 0.955 ( -7.950 0.000 0.260) 7.955 1.030 ( 2.697 0.000 1.388) 3.033 1.074 ( -0.718 0.000 -0.186) 0.742 1.185 ( -4.308 0.000 -2.104) 4.794 1.221 ( 6.384 0.000 -4.114) 7.595 1.436 ( 2.072 0.000 1.249) 2.419 1.490 ( -2.930 0.000 -0.926) 3.073 1.570 ( -0.830 0.000 2.382) 2.522 1.659 ( -1.450 0.000 3.532) 3.818 1.678 ( 0.124 0.000 -0.617) 0.629 1.763 ( 3.626 0.000 -4.367) 5.676 1.973 ( 2.324 0.000 2.824) 3.658 2.201 ( 0.416 0.000 -6.324) 6.338 2.378 ( -0.426 0.000 -1.589) 1.645 2.385 ( 0.043 0.000 1.270) 1.271 2.387 ( 0.369 0.000 -1.754) 1.792 2.409 ( 0.017 0.000 -0.690) 0.690 2.708 ( 2.615 0.000 6.555) 7.057 2.762 ( 2.216 0.000 4.631) 5.134 3.187 ( -6.159 0.000 -6.764) 9.148 3.213 ( -4.834 0.000 -8.456) 9.740 3.560 ( -1.200 0.000 -0.463) 1.286 3.582 ( -0.680 0.000 -1.179) 1.361 3.939 ( -1.301 0.000 1.485) 1.974 4.008 ( 1.662 0.000 -1.586) 2.297 4.270 ( 1.294 0.000 3.279) 3.525 4.348 ( 0.672 0.000 -0.380) 0.772 5.842 ( 0.437 0.000 1.043) 1.130 5.881 ( 0.196 0.000 -0.455) 0.496 5.910 ( 0.206 0.000 0.202) 0.289 5.911 ( 0.108 0.000 0.502) 0.514 6.365 ( 0.563 0.000 1.030) 1.174 6.416 ( -0.813 0.000 -1.524) 1.728 6.518 ( -1.645 0.000 1.971) 2.567 6.578 ( 1.836 0.000 -0.948) 2.066 ======================= Grid point 180 (90/136) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -8.495 0.000 3.252) 9.096 0.811 ( -9.633 0.000 6.441) 11.588 1.070 ( -0.518 0.000 5.209) 5.235 1.096 ( 2.527 0.000 -0.112) 2.530 1.135 ( -0.223 0.000 -2.579) 2.589 1.285 ( 0.030 0.000 -0.034) 0.045 1.464 ( 2.886 0.000 -3.550) 4.576 1.487 ( 3.196 0.000 0.802) 3.295 1.566 ( -1.568 0.000 3.795) 4.106 1.659 ( -0.135 0.000 1.571) 1.577 1.676 ( 0.602 0.000 -2.310) 2.387 1.805 ( 3.145 0.000 -3.552) 4.744 2.030 ( 1.933 0.000 2.916) 3.498 2.185 ( 1.962 0.000 -7.871) 8.112 2.365 ( -0.068 0.000 -1.098) 1.100 2.389 ( 0.448 0.000 -0.630) 0.773 2.391 ( -0.072 0.000 1.295) 1.297 2.405 ( 0.174 0.000 -1.302) 1.314 2.766 ( -0.897 0.000 3.743) 3.849 2.766 ( -3.529 0.000 0.273) 3.540 3.081 ( -1.331 0.000 -0.018) 1.332 3.152 ( 1.404 0.000 -0.912) 1.674 3.550 ( -0.157 0.000 0.799) 0.814 3.576 ( 0.575 0.000 -0.104) 0.584 3.927 ( -0.724 0.000 1.040) 1.268 4.028 ( 1.234 0.000 -1.242) 1.751 4.300 ( 0.334 0.000 2.027) 2.054 4.340 ( -0.742 0.000 -1.934) 2.071 5.853 ( 0.324 0.000 0.766) 0.832 5.876 ( -0.214 0.000 -1.067) 1.088 5.910 ( -0.480 0.000 0.156) 0.505 5.912 ( -0.116 0.000 0.036) 0.122 6.387 ( 1.025 0.000 1.281) 1.641 6.395 ( -0.578 0.000 -1.297) 1.420 6.494 ( -1.832 0.000 1.537) 2.391 6.600 ( 1.147 0.000 -0.997) 1.520 ======================= Grid point 181 (91/136) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -6.928 0.000 10.602) 12.665 0.702 ( -4.939 0.000 7.981) 9.385 1.068 ( -3.157 0.000 7.882) 8.491 1.141 ( 1.563 0.000 0.196) 1.576 1.152 ( 4.165 0.000 -3.667) 5.550 1.241 ( -3.674 0.000 3.225) 4.889 1.526 ( -2.682 0.000 6.303) 6.850 1.542 ( 5.718 0.000 -2.930) 6.425 1.587 ( 4.876 0.000 -2.384) 5.427 1.666 ( 0.463 0.000 0.067) 0.468 1.677 ( 1.517 0.000 -4.440) 4.692 1.843 ( 2.820 0.000 -2.519) 3.782 2.067 ( 0.215 0.000 3.060) 3.067 2.185 ( 2.367 0.000 -8.715) 9.031 2.360 ( -0.258 0.000 -0.850) 0.889 2.386 ( -0.675 0.000 -0.091) 0.681 2.398 ( 0.108 0.000 1.277) 1.282 2.408 ( 1.257 0.000 -2.435) 2.740 2.671 ( -5.036 0.000 -1.377) 5.221 2.702 ( -4.979 0.000 -1.375) 5.166 3.165 ( 6.164 0.000 9.512) 11.334 3.227 ( 4.585 0.000 4.933) 6.735 3.555 ( -0.037 0.000 1.512) 1.512 3.602 ( 1.866 0.000 1.177) 2.206 3.922 ( -0.227 0.000 0.515) 0.563 4.038 ( 0.416 0.000 -0.516) 0.663 4.301 ( -1.916 0.000 -3.408) 3.909 4.302 ( -0.888 0.000 0.337) 0.950 5.861 ( 0.091 0.000 0.271) 0.286 5.863 ( -0.451 0.000 -1.434) 1.503 5.896 ( -0.843 0.000 -0.160) 0.858 5.907 ( -0.194 0.000 -0.289) 0.348 6.382 ( -0.195 0.000 -0.757) 0.781 6.413 ( 0.907 0.000 1.244) 1.540 6.470 ( -1.458 0.000 1.329) 1.973 6.608 ( 0.303 0.000 -1.087) 1.128 ======================= Grid point 182 (92/136) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -1.387 0.000 13.085) 13.158 0.715 ( 0.411 0.000 11.621) 11.628 1.047 ( -3.673 0.000 8.638) 9.386 1.163 ( 0.356 0.000 -5.127) 5.139 1.195 ( 3.012 0.000 4.037) 5.037 1.264 ( 3.915 0.000 2.738) 4.777 1.490 ( -3.904 0.000 4.136) 5.688 1.605 ( 1.991 0.000 -1.367) 2.415 1.655 ( 1.691 0.000 -1.725) 2.415 1.686 ( 2.147 0.000 -6.114) 6.480 1.692 ( 3.704 0.000 -0.531) 3.741 1.883 ( 2.266 0.000 -1.548) 2.744 2.068 ( -1.767 0.000 2.584) 3.130 2.162 ( -0.111 0.000 -7.931) 7.932 2.332 ( -1.965 0.000 -1.459) 2.447 2.373 ( -0.050 0.000 -1.298) 1.299 2.406 ( 0.077 0.000 0.448) 0.454 2.417 ( 1.382 0.000 -3.680) 3.930 2.597 ( -2.436 0.000 0.406) 2.470 2.620 ( -2.741 0.000 -0.444) 2.777 3.353 ( 5.335 0.000 6.677) 8.546 3.359 ( 7.835 0.000 11.389) 13.823 3.560 ( -0.298 0.000 1.434) 1.465 3.649 ( 1.979 0.000 1.904) 2.746 3.927 ( 0.584 0.000 0.495) 0.766 4.042 ( 0.054 0.000 0.858) 0.860 4.234 ( -2.864 0.000 -5.038) 5.795 4.267 ( -2.520 0.000 -1.643) 3.008 5.846 ( -0.422 0.000 -1.510) 1.567 5.851 ( -1.052 0.000 -0.647) 1.235 5.887 ( -0.042 0.000 0.109) 0.117 5.904 ( 0.081 0.000 -0.563) 0.569 6.381 ( 0.349 0.000 -0.163) 0.385 6.420 ( -0.749 0.000 0.207) 0.777 6.468 ( 0.384 0.000 2.249) 2.282 6.600 ( -0.477 0.000 -1.238) 1.327 ======================= Grid point 183 (93/136) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 1.944 -1.204 13.072) 13.270 0.886 ( 0.171 3.844 9.803) 10.531 1.045 ( -0.837 1.932 0.593) 2.188 1.142 ( 1.519 -1.277 -1.695) 2.610 1.314 ( -0.750 -4.139 0.685) 4.262 1.341 ( 2.561 3.093 6.137) 7.334 1.422 ( -0.213 0.134 0.010) 0.252 1.580 ( 0.171 -3.248 -0.906) 3.377 1.629 ( -0.061 -1.583 -2.446) 2.914 1.668 ( -0.645 -0.916 -4.202) 4.349 1.775 ( -2.876 -1.546 -0.622) 3.324 1.839 ( 2.739 -0.215 -2.365) 3.625 2.011 ( -2.590 0.388 1.836) 3.198 2.180 ( 2.670 2.473 -4.269) 5.610 2.329 ( 0.221 1.300 -0.116) 1.324 2.381 ( -1.191 1.540 -0.170) 1.954 2.403 ( -0.521 1.345 -1.865) 2.358 2.427 ( 1.488 0.207 -4.497) 4.741 2.563 ( 0.206 -1.062 1.342) 1.723 2.591 ( -1.965 -0.217 0.221) 1.989 3.460 ( 3.441 -1.929 4.931) 6.315 3.492 ( 3.304 -2.196 5.721) 6.962 3.570 ( 0.743 -0.914 0.633) 1.337 3.663 ( -1.288 -2.366 -0.567) 2.753 3.964 ( 1.981 0.859 1.996) 2.941 4.074 ( 1.664 0.939 2.410) 3.076 4.137 ( -2.724 -0.685 -5.583) 6.250 4.169 ( -3.469 -2.222 -2.455) 4.796 5.818 ( -0.135 -0.135 0.077) 0.206 5.847 ( -0.455 0.610 -1.016) 1.269 5.891 ( 0.518 0.235 0.082) 0.575 5.912 ( -0.202 0.560 -0.669) 0.895 6.386 ( 0.339 -0.525 0.369) 0.726 6.401 ( -0.320 -0.175 -0.303) 0.474 6.499 ( 0.578 0.486 2.166) 2.294 6.571 ( -0.914 -0.705 -1.330) 1.761 ======================= Grid point 184 (94/136) ======================= q-point: ( 0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 2.406 -0.668 10.077) 10.382 0.940 ( 0.556 0.497 7.753) 7.789 1.043 ( 1.667 1.190 -5.718) 6.074 1.174 ( 2.267 -1.390 -1.478) 3.043 1.268 ( -2.533 -4.244 1.532) 5.175 1.396 ( -0.414 0.040 6.812) 6.824 1.447 ( 1.600 0.287 -3.024) 3.433 1.573 ( -0.444 -1.699 0.211) 1.769 1.596 ( -3.211 -1.843 -0.933) 3.818 1.639 ( -0.400 -3.424 -1.492) 3.756 1.684 ( -3.166 -0.672 -3.171) 4.531 1.872 ( 0.024 1.228 -1.814) 2.191 1.961 ( -2.954 4.050 1.754) 5.311 2.198 ( 1.317 0.996 -4.026) 4.351 2.334 ( 0.819 2.688 0.367) 2.834 2.377 ( 0.206 0.620 1.172) 1.341 2.394 ( 0.630 0.171 -1.824) 1.937 2.422 ( 0.462 -0.053 -4.056) 4.083 2.565 ( -0.726 -1.138 0.584) 1.471 2.594 ( 1.657 0.369 2.182) 2.764 3.491 ( -1.890 -1.461 0.302) 2.408 3.548 ( 2.091 -1.776 2.254) 3.550 3.606 ( -3.290 -4.973 -3.781) 7.061 3.631 ( 2.580 -3.823 3.046) 5.527 4.019 ( 1.684 0.274 2.388) 2.935 4.060 ( -1.752 0.661 -5.033) 5.370 4.097 ( -2.420 -0.932 -1.270) 2.888 4.139 ( 3.141 -0.062 3.501) 4.704 5.817 ( -0.193 0.698 0.237) 0.762 5.841 ( 0.460 0.488 -0.380) 0.771 5.896 ( -0.189 0.480 -0.257) 0.576 5.909 ( 0.429 0.266 -0.308) 0.591 6.378 ( -0.749 -0.072 -0.007) 0.753 6.416 ( 1.394 -0.415 0.082) 1.457 6.520 ( 0.258 0.052 2.334) 2.349 6.546 ( -0.918 -0.370 -1.490) 1.789 ======================= Grid point 185 (95/136) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 2.166 0.034 5.321) 5.745 0.975 ( 0.581 -1.918 0.099) 2.006 1.049 ( 2.288 1.566 -3.550) 4.504 1.185 ( -0.960 1.411 -0.301) 1.733 1.277 ( 1.830 -0.378 1.966) 2.712 1.390 ( -4.148 0.054 -2.063) 4.633 1.407 ( -2.675 -0.126 1.857) 3.259 1.527 ( -3.389 -4.444 0.751) 5.639 1.566 ( -1.826 -3.455 0.837) 3.997 1.614 ( 1.617 -0.581 0.719) 1.863 1.692 ( 3.158 0.079 -3.803) 4.944 1.798 ( -5.566 2.187 -0.842) 6.040 1.952 ( 0.063 4.668 1.430) 4.882 2.190 ( 0.160 -2.203 -3.039) 3.756 2.351 ( 1.196 0.454 -3.140) 3.390 2.388 ( -0.184 -0.520 0.757) 0.936 2.406 ( 0.645 0.332 -0.204) 0.754 2.410 ( 0.707 1.066 -1.044) 1.651 2.556 ( -0.492 -2.030 0.796) 2.235 2.660 ( 3.418 2.708 4.044) 5.947 3.438 ( -2.875 -0.295 -2.557) 3.859 3.490 ( -5.331 -4.667 -6.613) 9.692 3.588 ( 0.776 -1.442 0.534) 1.722 3.669 ( 0.336 -0.954 0.864) 1.330 3.992 ( -1.709 0.251 -1.625) 2.371 4.024 ( -1.467 1.703 -2.535) 3.388 4.120 ( 2.736 -1.763 4.000) 5.157 4.222 ( 3.504 -1.746 3.048) 4.961 5.815 ( -0.009 0.415 0.135) 0.437 5.858 ( 1.009 0.497 0.585) 1.267 5.889 ( -0.174 -0.140 -0.370) 0.432 5.916 ( 0.298 0.574 0.005) 0.647 6.367 ( -0.476 0.382 0.222) 0.649 6.439 ( 0.844 -0.531 -0.282) 1.037 6.528 ( -0.098 -0.198 -0.577) 0.617 6.532 ( -0.084 -0.115 1.493) 1.500 ======================= Grid point 186 (96/136) ======================= q-point: ( 0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 2.837 0.732 2.042) 3.571 0.980 ( -0.415 -0.843 1.338) 1.635 1.071 ( 0.104 2.793 -1.362) 3.109 1.163 ( 0.650 2.882 -0.790) 3.059 1.240 ( -5.200 3.799 -2.648) 6.963 1.333 ( -5.831 1.687 -0.292) 6.077 1.369 ( 2.263 -1.040 2.449) 3.493 1.489 ( -0.728 -4.278 -0.938) 4.440 1.561 ( 0.014 -2.626 2.384) 3.547 1.660 ( 2.581 -0.873 -0.813) 2.843 1.686 ( -4.287 1.525 1.111) 4.684 1.738 ( 1.818 0.955 -2.795) 3.468 1.964 ( 0.624 3.387 1.377) 3.709 2.176 ( 0.079 -3.956 -3.030) 4.984 2.346 ( 0.781 -1.537 -4.039) 4.391 2.374 ( -0.757 -1.383 -1.343) 2.071 2.418 ( 0.641 0.811 0.828) 1.324 2.428 ( 0.519 2.079 0.936) 2.338 2.562 ( 0.545 -3.287 2.203) 3.994 2.744 ( 2.562 1.739 3.992) 5.052 3.332 ( -5.095 0.778 -7.020) 8.709 3.388 ( -2.568 1.502 -3.447) 4.553 3.589 ( -0.584 0.234 -0.194) 0.658 3.657 ( -1.271 2.264 -1.396) 2.948 3.961 ( -1.677 0.059 0.950) 1.929 4.000 ( 0.454 1.290 -2.492) 2.843 4.189 ( 2.132 -2.602 4.040) 5.257 4.291 ( 2.438 -2.538 1.385) 3.782 5.821 ( 0.432 -0.231 0.670) 0.830 5.876 ( 0.495 0.302 0.183) 0.608 5.891 ( 0.440 -0.623 0.239) 0.799 5.917 ( -0.230 0.360 -0.124) 0.445 6.364 ( -0.016 0.695 0.615) 0.928 6.437 ( -0.516 -0.202 -1.047) 1.184 6.529 ( -0.789 -0.286 1.868) 2.048 6.544 ( 1.475 -0.282 -0.688) 1.652 ======================= Grid point 187 (97/136) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -6.940 1.406 5.787) 9.145 1.013 ( -0.343 2.635 0.758) 2.763 1.071 ( 1.141 4.003 1.624) 4.468 1.129 ( -2.936 4.894 -1.520) 5.906 1.212 ( -3.029 2.346 -0.976) 3.954 1.242 ( 2.720 1.639 -2.317) 3.931 1.404 ( 0.386 -2.192 1.361) 2.609 1.486 ( 0.770 -1.226 -1.591) 2.151 1.570 ( -0.523 -0.540 2.312) 2.431 1.634 ( -1.668 0.370 2.282) 2.851 1.691 ( 1.024 -0.526 -1.210) 1.670 1.764 ( 2.561 0.361 -2.999) 3.961 1.994 ( 1.783 1.701 1.301) 2.787 2.163 ( 0.779 -3.443 -4.388) 5.631 2.345 ( 0.080 -1.987 -1.932) 2.772 2.351 ( 0.236 -1.354 -2.584) 2.927 2.433 ( 0.522 1.473 0.581) 1.668 2.437 ( 0.007 2.278 0.590) 2.353 2.605 ( 2.086 -5.388 4.728) 7.466 2.761 ( -2.325 -4.091 -0.240) 4.711 3.242 ( -1.261 8.246 -2.236) 8.637 3.324 ( -2.511 6.995 -3.630) 8.272 3.575 ( -0.621 1.544 0.168) 1.672 3.620 ( -1.358 3.159 -1.835) 3.897 3.939 ( -1.350 0.125 1.372) 1.929 4.009 ( 1.523 0.345 -1.778) 2.367 4.239 ( 1.124 -3.034 3.314) 4.632 4.324 ( 0.919 -2.427 -0.491) 2.642 5.836 ( 0.622 -0.440 1.037) 1.287 5.879 ( 0.015 -0.153 -0.534) 0.556 5.902 ( 0.348 -0.791 0.422) 0.961 5.908 ( -0.522 -0.276 -0.122) 0.603 6.372 ( 0.388 0.640 0.973) 1.228 6.418 ( -0.706 0.117 -1.283) 1.469 6.517 ( -1.463 -0.056 1.779) 2.304 6.571 ( 1.668 -0.619 -0.826) 1.962 ======================= Grid point 188 (98/136) ======================= q-point: (-0.38 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -6.640 4.426 8.778) 11.863 0.915 ( -8.932 7.559 0.366) 11.707 1.102 ( -0.802 2.873 4.723) 5.586 1.123 ( 2.276 2.739 -0.867) 3.665 1.165 ( -0.062 2.701 -1.504) 3.092 1.278 ( -1.313 -0.604 2.543) 2.925 1.435 ( 4.196 -1.497 -2.240) 4.986 1.501 ( 1.725 -0.829 -0.927) 2.126 1.570 ( -0.709 0.066 2.616) 2.711 1.636 ( 0.498 0.314 0.945) 1.114 1.694 ( 0.755 0.566 -2.672) 2.834 1.799 ( 2.602 -0.389 -2.378) 3.546 2.036 ( 1.772 0.280 1.376) 2.261 2.161 ( 1.877 -2.414 -6.105) 6.828 2.320 ( -0.936 -2.582 -1.463) 3.112 2.366 ( 1.705 -0.645 -1.839) 2.590 2.435 ( -0.245 1.888 -0.052) 1.904 2.443 ( 0.308 2.391 0.142) 2.415 2.666 ( -2.121 -6.698 1.410) 7.166 2.689 ( -0.622 -5.820 2.101) 6.219 3.243 ( -0.458 11.959 0.523) 11.979 3.268 ( -0.203 9.593 -1.069) 9.654 3.569 ( -0.442 1.829 0.862) 2.070 3.605 ( 0.572 2.634 -0.101) 2.697 3.926 ( -0.729 0.033 1.024) 1.257 4.029 ( 1.322 0.224 -1.309) 1.874 4.265 ( 0.071 -3.326 2.105) 3.936 4.321 ( -0.446 -2.107 -2.092) 3.002 5.852 ( 0.437 -0.208 0.884) 1.007 5.868 ( -0.614 -0.745 -1.326) 1.640 5.895 ( -0.552 -0.896 0.157) 1.064 5.912 ( 0.284 -0.295 0.304) 0.510 6.383 ( -0.007 -0.076 0.487) 0.493 6.405 ( 0.105 0.524 -0.339) 0.633 6.496 ( -1.567 0.264 1.325) 2.069 6.592 ( 1.019 -0.818 -0.874) 1.572 ======================= Grid point 189 (99/136) ======================= q-point: (-0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -8.917 6.466 3.138) 11.453 0.798 ( -2.976 7.142 11.106) 13.535 1.095 ( -2.601 2.357 5.529) 6.549 1.160 ( 1.967 0.255 -4.043) 4.503 1.184 ( 1.757 4.023 2.528) 5.066 1.246 ( -2.230 0.881 4.444) 5.050 1.493 ( -0.711 -3.240 2.641) 4.240 1.542 ( 4.568 -0.113 -3.174) 5.564 1.588 ( 2.614 -1.591 -0.696) 3.138 1.648 ( 0.322 -0.171 -0.602) 0.703 1.706 ( 2.714 2.516 -3.608) 5.169 1.831 ( 1.857 -1.032 -1.289) 2.485 2.063 ( 0.106 -0.944 1.220) 1.546 2.160 ( 1.654 -1.817 -6.908) 7.332 2.303 ( 0.086 -2.628 -1.120) 2.858 2.390 ( 1.842 0.011 -1.689) 2.499 2.427 ( -0.456 1.133 -0.594) 1.358 2.444 ( -0.165 2.657 -0.473) 2.704 2.591 ( -2.718 -3.797 -1.008) 4.777 2.712 ( -2.124 -3.083 3.320) 5.004 3.241 ( 2.028 8.681 2.064) 9.151 3.312 ( 2.449 6.353 3.860) 7.827 3.569 ( -0.252 1.157 1.311) 1.767 3.632 ( 1.566 2.474 1.436) 3.261 3.923 ( -0.126 0.169 0.657) 0.690 4.041 ( 0.559 0.367 -0.600) 0.899 4.260 ( -1.365 -3.355 -0.100) 3.623 4.289 ( -1.400 -2.009 -2.968) 3.847 5.845 ( -0.827 -1.260 -1.295) 1.987 5.862 ( 0.088 0.041 0.405) 0.416 5.887 ( -0.292 -0.667 -0.167) 0.747 5.917 ( 0.083 0.404 0.143) 0.437 6.378 ( -0.240 -0.247 -0.270) 0.438 6.415 ( 0.314 -0.122 0.801) 0.869 6.478 ( -0.948 0.830 1.101) 1.673 6.599 ( 0.237 -0.932 -0.972) 1.367 ======================= Grid point 190 (100/136) ======================= q-point: (-0.12 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -3.661 2.034 9.715) 10.579 0.831 ( -0.190 6.944 10.488) 12.580 1.069 ( -3.082 2.275 5.112) 6.388 1.144 ( -0.451 -1.077 -2.381) 2.652 1.253 ( 3.707 3.483 3.136) 5.976 1.275 ( 2.064 1.658 3.555) 4.432 1.462 ( -3.236 -2.759 2.083) 4.735 1.577 ( 0.933 -2.760 -1.481) 3.269 1.641 ( 0.374 -0.762 -2.966) 3.085 1.659 ( 4.045 -1.448 -3.097) 5.296 1.749 ( 3.575 3.376 -2.626) 5.574 1.846 ( -0.106 -3.333 -0.633) 3.395 2.047 ( -2.078 -1.852 0.436) 2.817 2.159 ( 1.930 0.753 -4.734) 5.167 2.314 ( 1.441 -1.026 -1.076) 2.070 2.410 ( -0.452 0.362 -1.864) 1.952 2.413 ( 0.974 0.571 -1.200) 1.647 2.430 ( -0.645 2.769 -1.944) 3.444 2.561 ( -0.683 -1.991 0.526) 2.169 2.651 ( -4.320 0.728 0.340) 4.394 3.342 ( 5.366 0.896 6.403) 8.402 3.391 ( 3.470 2.095 5.013) 6.447 3.570 ( -0.407 0.636 1.051) 1.295 3.664 ( 0.749 0.766 1.304) 1.687 3.931 ( 0.763 0.584 0.875) 1.299 4.048 ( 0.389 0.676 0.727) 1.066 4.212 ( -2.515 -2.155 -3.625) 4.910 4.240 ( -2.483 -2.599 -2.534) 4.398 5.826 ( -0.572 -0.951 -0.771) 1.351 5.860 ( -0.370 0.224 -0.299) 0.526 5.884 ( 0.185 -0.156 -0.275) 0.366 5.917 ( -0.071 0.757 -0.220) 0.792 6.377 ( 0.234 -0.299 0.057) 0.384 6.414 ( -0.653 -0.592 0.178) 0.900 6.479 ( 0.303 1.017 1.685) 1.991 6.591 ( -0.450 -0.908 -1.125) 1.514 ======================= Grid point 191 (101/136) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.426 5.256 9.127) 10.541 0.945 ( -3.336 2.368 6.904) 8.026 1.077 ( -1.109 -1.315 0.839) 1.914 1.114 ( -2.520 -4.373 -4.573) 6.810 1.205 ( 0.770 -0.597 2.402) 2.592 1.400 ( 1.672 -1.146 -4.686) 5.106 1.441 ( 0.197 3.262 5.271) 6.202 1.509 ( 0.454 -2.098 1.964) 2.910 1.588 ( -0.721 -2.507 -1.336) 2.930 1.622 ( -3.092 -3.375 0.076) 4.578 1.756 ( -1.284 0.998 -2.010) 2.585 1.833 ( 3.000 -1.290 -2.953) 4.403 2.057 ( 0.519 3.510 -0.066) 3.549 2.186 ( 2.423 -1.934 -5.366) 6.198 2.356 ( 0.732 1.690 0.619) 1.943 2.412 ( -0.459 2.492 0.615) 2.608 2.420 ( 1.021 -0.529 -3.076) 3.284 2.468 ( -0.334 2.451 -1.383) 2.834 2.543 ( 1.503 -0.588 1.832) 2.442 2.581 ( -2.580 -0.859 0.983) 2.891 3.422 ( 1.105 -0.553 1.970) 2.326 3.472 ( 1.462 0.260 1.941) 2.444 3.538 ( -1.268 -2.192 -1.422) 2.904 3.582 ( -3.640 -5.321 -3.266) 7.227 3.994 ( 1.388 2.077 2.198) 3.327 4.092 ( 1.477 0.604 0.770) 1.771 4.112 ( -2.040 -2.850 -0.356) 3.523 4.123 ( -1.546 -0.803 -3.943) 4.311 5.824 ( 0.405 0.740 0.572) 1.019 5.853 ( -0.173 -0.117 -0.539) 0.578 5.899 ( 0.641 0.587 0.422) 0.966 5.919 ( -0.334 0.062 -0.330) 0.474 6.379 ( 0.231 -0.122 0.277) 0.381 6.393 ( 0.067 -0.543 -0.293) 0.621 6.513 ( 0.194 0.806 1.087) 1.367 6.553 ( -0.612 -1.053 -0.830) 1.474 ======================= Grid point 192 (102/136) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 3.030 2.466 11.036) 11.707 0.927 ( -0.871 -0.703 3.017) 3.217 1.048 ( -1.651 -2.936 0.584) 3.419 1.089 ( 1.247 -4.271 0.952) 4.550 1.249 ( 2.957 1.940 0.080) 3.538 1.396 ( -0.196 -1.614 -2.445) 2.937 1.445 ( -1.671 0.775 1.612) 2.447 1.526 ( -0.674 -2.152 1.923) 2.964 1.548 ( -4.638 -1.952 1.008) 5.132 1.574 ( -0.587 -2.592 2.046) 3.354 1.717 ( -0.690 2.894 -3.994) 4.980 1.848 ( -0.003 -2.694 -2.632) 3.766 2.057 ( -0.066 4.548 -1.338) 4.742 2.189 ( 0.826 -2.038 -5.195) 5.641 2.361 ( -0.195 0.505 -0.328) 0.633 2.399 ( -0.786 -0.534 -2.333) 2.519 2.427 ( 0.556 2.201 0.888) 2.437 2.454 ( -0.161 3.962 -1.506) 4.242 2.542 ( -1.673 -0.236 0.018) 1.690 2.606 ( 3.439 0.559 3.151) 4.698 3.452 ( -0.050 -2.260 2.124) 3.102 3.489 ( -3.758 -5.464 -3.642) 7.566 3.509 ( 1.098 -1.818 0.807) 2.272 3.540 ( 2.295 -4.074 2.271) 5.199 4.029 ( 0.739 0.686 1.943) 2.190 4.065 ( -1.838 -0.662 -0.645) 2.058 4.088 ( -0.536 0.684 -2.879) 3.007 4.131 ( 1.979 -0.769 1.209) 2.443 5.834 ( 0.062 0.821 0.227) 0.854 5.849 ( 0.341 0.201 -0.410) 0.569 5.908 ( -0.426 0.561 -0.393) 0.807 5.914 ( 0.503 0.235 0.250) 0.609 6.379 ( -0.093 0.257 -0.037) 0.276 6.404 ( 1.060 -0.713 -0.100) 1.281 6.522 ( 0.069 0.180 1.332) 1.346 6.537 ( -0.603 -0.494 -0.814) 1.127 ======================= Grid point 193 (103/136) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.909 3.179 4.025) 5.897 0.955 ( 1.341 0.774 3.885) 4.182 1.065 ( 1.544 -0.971 4.430) 4.791 1.150 ( 3.975 -4.730 3.332) 7.020 1.302 ( 2.329 1.694 -1.451) 3.225 1.356 ( -3.867 -0.345 2.016) 4.375 1.410 ( -1.431 -1.270 -2.312) 3.001 1.468 ( -4.611 -1.496 0.736) 4.903 1.503 ( -1.581 -1.452 2.088) 2.994 1.593 ( 0.662 -1.982 3.131) 3.764 1.708 ( 2.133 1.774 -4.623) 5.392 1.809 ( -2.551 -1.368 -1.707) 3.361 2.044 ( -0.194 4.243 -1.998) 4.694 2.160 ( -1.143 -1.362 -4.366) 4.714 2.345 ( -0.465 -0.171 -3.506) 3.541 2.369 ( -1.160 -1.124 -0.935) 1.866 2.446 ( 0.692 2.053 0.949) 2.365 2.449 ( 0.229 3.783 -0.307) 3.802 2.519 ( -0.914 -1.254 0.300) 1.580 2.682 ( 2.438 -1.436 2.214) 3.593 3.414 ( -1.982 -1.273 -2.267) 3.269 3.445 ( -0.749 0.808 0.416) 1.178 3.548 ( 1.768 -2.528 2.255) 3.821 3.611 ( 2.870 -4.394 3.485) 6.300 4.007 ( -1.989 1.189 -0.447) 2.360 4.066 ( -0.239 2.148 -2.887) 3.606 4.079 ( 1.148 -1.929 2.912) 3.677 4.176 ( 2.180 -2.672 0.947) 3.576 5.829 ( -0.227 0.908 -0.534) 1.077 5.861 ( 0.695 -0.290 0.184) 0.775 5.896 ( -0.460 0.788 -0.432) 1.010 5.922 ( 0.087 -0.054 0.128) 0.164 6.379 ( 0.092 0.842 0.079) 0.850 6.423 ( 0.863 -1.024 -0.184) 1.352 6.525 ( -0.219 -0.068 -0.150) 0.273 6.529 ( -0.019 -0.209 0.892) 0.916 ======================= Grid point 194 (104/136) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -0.029 2.153 5.176) 5.605 1.014 ( 3.399 3.760 3.199) 5.994 1.121 ( 2.380 1.410 1.161) 3.000 1.225 ( -0.105 2.065 5.141) 5.541 1.291 ( -3.455 -0.295 1.316) 3.709 1.307 ( -0.331 -0.834 1.358) 1.628 1.372 ( -2.355 -0.399 -2.192) 3.242 1.420 ( 1.162 -2.522 -1.522) 3.167 1.518 ( 1.397 -0.209 2.552) 2.917 1.623 ( 1.184 -2.615 1.328) 3.163 1.723 ( 0.045 1.359 -2.635) 2.965 1.759 ( -0.292 0.779 -2.029) 2.193 2.031 ( -0.089 2.875 -1.721) 3.352 2.110 ( -1.490 -1.981 -3.435) 4.236 2.317 ( -0.036 -0.801 -3.625) 3.713 2.345 ( -0.880 -1.465 -1.595) 2.337 2.452 ( 0.303 2.964 0.059) 2.980 2.465 ( 0.527 1.449 1.262) 1.993 2.514 ( -0.028 -1.665 1.048) 1.967 2.696 ( -1.322 -5.919 -1.118) 6.167 3.404 ( 0.985 5.501 1.314) 5.741 3.444 ( 0.349 3.895 0.855) 4.003 3.587 ( 1.194 -0.745 1.790) 2.277 3.666 ( 1.312 -1.670 1.743) 2.748 3.975 ( -1.518 1.566 0.550) 2.249 4.047 ( -0.106 3.303 -2.875) 4.380 4.118 ( 1.149 -4.231 3.210) 5.434 4.218 ( 1.997 -4.338 0.217) 4.780 5.825 ( 0.093 0.708 -0.166) 0.733 5.872 ( 0.422 -0.956 -0.133) 1.054 5.887 ( -0.293 0.579 -0.170) 0.671 5.917 ( -0.639 -0.377 -0.231) 0.777 6.383 ( 0.194 1.147 0.451) 1.248 6.428 ( -0.130 -0.729 -0.460) 0.872 6.524 ( -0.338 -0.067 1.023) 1.079 6.536 ( 0.772 -0.454 -0.150) 0.908 ======================= Grid point 195 (105/136) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -3.974 3.812 6.957) 8.872 1.069 ( 0.633 2.126 2.900) 3.651 1.158 ( 0.504 4.467 2.744) 5.267 1.228 ( -2.242 3.007 1.503) 4.041 1.252 ( 0.592 1.831 3.385) 3.894 1.292 ( -2.175 3.842 -4.002) 5.959 1.355 ( 0.398 -3.363 2.970) 4.504 1.450 ( 2.641 -1.818 -3.037) 4.416 1.553 ( 0.421 -0.199 1.891) 1.947 1.646 ( 0.725 -2.891 0.382) 3.005 1.695 ( 0.128 3.928 -1.899) 4.365 1.776 ( 2.095 0.494 -2.415) 3.235 2.024 ( 0.259 0.990 -1.458) 1.781 2.084 ( 0.623 -3.684 -2.821) 4.682 2.313 ( -0.300 -1.241 -1.917) 2.303 2.318 ( 0.772 -1.808 -3.008) 3.594 2.460 ( 0.300 1.515 0.910) 1.792 2.479 ( 0.348 1.774 0.383) 1.848 2.527 ( 0.548 -2.390 2.052) 3.197 2.639 ( -3.026 -6.521 -2.662) 7.666 3.440 ( 1.142 8.553 2.245) 8.916 3.463 ( 0.971 6.581 1.113) 6.745 3.613 ( 0.752 1.998 1.594) 2.664 3.676 ( -0.430 1.507 -0.535) 1.656 3.955 ( -1.207 1.895 1.174) 2.535 4.038 ( 0.820 2.924 -2.462) 3.909 4.151 ( 0.563 -5.504 2.970) 6.279 4.247 ( 1.208 -5.081 -1.006) 5.319 5.831 ( 0.426 0.131 0.503) 0.672 5.870 ( -0.456 -1.055 -1.010) 1.530 5.887 ( 0.177 -0.235 0.451) 0.538 5.900 ( -0.750 -0.445 -0.283) 0.916 6.389 ( -0.049 0.930 0.809) 1.234 6.418 ( -0.536 -0.222 -0.498) 0.765 6.519 ( -0.777 0.376 1.077) 1.380 6.554 ( 1.165 -1.010 -0.473) 1.613 ======================= Grid point 196 (106/136) ======================= q-point: (-0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -3.752 6.465 8.972) 11.678 1.058 ( -4.279 4.674 2.237) 6.720 1.158 ( -0.923 2.562 1.140) 2.952 1.204 ( -2.918 2.870 -2.632) 4.866 1.239 ( 1.166 6.112 2.934) 6.879 1.282 ( -1.080 1.566 3.576) 4.050 1.378 ( 1.190 -4.123 0.559) 4.327 1.482 ( 3.011 -1.190 -3.284) 4.611 1.550 ( -1.111 -0.785 0.694) 1.527 1.652 ( 0.012 -2.077 -0.684) 2.187 1.716 ( 2.769 3.360 -2.479) 5.010 1.802 ( 1.781 0.582 -1.577) 2.449 2.026 ( 0.581 -1.144 -1.114) 1.699 2.098 ( 2.302 -3.479 -3.414) 5.390 2.284 ( -0.527 -0.503 -1.677) 1.828 2.348 ( 2.804 -1.583 -2.201) 3.901 2.465 ( -0.514 1.060 0.454) 1.262 2.483 ( 0.317 1.505 -0.282) 1.564 2.552 ( 0.005 -4.131 2.774) 4.976 2.582 ( -1.095 -4.081 -0.831) 4.306 3.454 ( -0.429 8.288 0.740) 8.332 3.482 ( 0.333 8.736 -0.135) 8.744 3.620 ( -1.382 3.229 0.393) 3.535 3.664 ( 0.331 2.602 -0.041) 2.623 3.942 ( -0.732 2.112 1.108) 2.494 4.049 ( 1.322 2.214 -1.706) 3.092 4.168 ( -0.232 -6.118 2.281) 6.533 4.249 ( -0.012 -4.952 -2.439) 5.520 5.843 ( 0.261 -0.572 0.658) 0.910 5.849 ( -0.864 -0.990 -0.975) 1.636 5.885 ( -0.355 -0.027 0.040) 0.359 5.902 ( 0.604 -0.599 0.522) 0.998 6.387 ( -0.575 0.426 0.468) 0.855 6.408 ( -0.312 -0.215 0.207) 0.432 6.509 ( -0.683 1.096 0.641) 1.442 6.569 ( 0.686 -1.399 -0.559) 1.656 ======================= Grid point 197 (107/136) ======================= q-point: (-0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -8.216 10.251 -0.028) 13.137 0.953 ( -2.383 7.458 8.800) 11.779 1.143 ( -1.393 -0.887 -0.788) 1.830 1.160 ( -1.507 2.959 2.090) 3.924 1.255 ( -2.097 0.914 2.677) 3.521 1.305 ( 2.475 5.070 3.940) 6.882 1.395 ( 0.584 -5.421 -1.284) 5.602 1.523 ( -0.773 -3.821 0.932) 4.009 1.545 ( 4.298 0.171 -3.169) 5.343 1.642 ( -0.025 -1.894 -2.470) 3.113 1.753 ( 2.430 1.693 -2.485) 3.867 1.816 ( 0.199 -0.248 -0.993) 1.042 2.030 ( 0.416 -0.700 -0.400) 0.907 2.127 ( 3.013 -2.243 -4.352) 5.749 2.287 ( 1.440 1.501 -0.239) 2.094 2.385 ( 2.430 -0.846 -2.579) 3.643 2.449 ( -0.993 1.195 -0.335) 1.589 2.485 ( 0.054 1.461 -0.563) 1.567 2.536 ( -0.973 -1.829 -0.244) 2.086 2.604 ( 0.399 -6.235 4.389) 7.635 3.444 ( -0.613 6.402 0.038) 6.431 3.460 ( -1.588 10.429 -2.662) 10.880 3.590 ( -1.342 0.673 0.320) 1.535 3.674 ( -0.137 0.864 0.303) 0.926 3.943 ( 0.135 2.289 1.284) 2.628 4.061 ( 0.716 1.720 -1.053) 2.140 4.166 ( -0.954 -5.698 1.237) 5.908 4.223 ( -1.049 -4.314 -3.553) 5.686 5.826 ( -0.652 -0.404 -0.655) 1.009 5.854 ( 0.162 -1.029 0.674) 1.241 5.882 ( 0.059 0.493 0.072) 0.502 5.916 ( 0.470 -0.488 0.532) 0.861 6.378 ( -0.458 0.255 0.146) 0.544 6.405 ( -0.418 -0.775 0.553) 1.040 6.503 ( -0.274 1.593 0.466) 1.683 6.573 ( 0.093 -1.557 -0.668) 1.697 ======================= Grid point 198 (108/136) ======================= q-point: (-0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -6.609 9.954 2.779) 12.267 0.961 ( -2.453 5.466 8.253) 10.198 1.105 ( -2.252 -1.671 0.710) 2.892 1.154 ( -0.221 4.913 -0.195) 4.922 1.217 ( -2.515 -6.346 0.388) 6.837 1.381 ( 2.298 6.128 5.324) 8.437 1.395 ( 1.165 -3.648 -2.426) 4.533 1.507 ( -0.571 -2.886 -0.061) 2.943 1.601 ( 0.725 -2.535 -0.865) 2.775 1.639 ( 1.768 -2.313 -2.982) 4.168 1.776 ( 0.783 -0.896 -1.325) 1.780 1.802 ( 0.268 0.374 -2.100) 2.150 2.042 ( 0.807 1.821 0.295) 2.014 2.160 ( 3.157 -1.630 -4.923) 6.072 2.325 ( 2.083 2.573 0.633) 3.370 2.409 ( 1.721 -0.482 -2.970) 3.466 2.428 ( -1.023 1.484 -0.280) 1.824 2.479 ( -0.220 1.680 -1.002) 1.968 2.526 ( -0.087 -1.397 0.501) 1.486 2.614 ( -1.715 -4.336 3.317) 5.722 3.416 ( -0.786 6.007 -1.536) 6.250 3.448 ( 0.387 3.558 0.810) 3.670 3.569 ( -1.265 -1.137 -0.375) 1.742 3.650 ( -2.139 -2.544 -1.469) 3.633 3.961 ( 0.938 2.538 1.743) 3.218 4.069 ( 0.775 1.283 -0.087) 1.501 4.146 ( -1.600 -4.230 0.171) 4.526 4.177 ( -1.672 -3.103 -3.985) 5.320 5.818 ( -0.019 0.288 0.059) 0.294 5.857 ( -0.061 -0.732 0.072) 0.738 5.887 ( 0.401 0.703 0.270) 0.853 5.923 ( 0.040 -0.251 0.135) 0.288 6.374 ( -0.001 0.089 0.195) 0.214 6.398 ( -0.437 -0.881 0.141) 0.993 6.505 ( 0.090 1.422 0.723) 1.597 6.566 ( -0.355 -1.445 -0.768) 1.674 ======================= Grid point 199 (109/136) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -3.676 -8.992 -0.015) 9.715 0.908 ( -3.676 8.992 -0.015) 9.715 1.026 ( -2.915 -2.202 6.474) 7.434 1.026 ( -2.915 2.202 6.474) 7.434 1.303 ( 2.265 -6.355 -4.249) 7.973 1.303 ( 2.265 6.355 -4.249) 7.973 1.504 ( -0.375 -1.332 2.202) 2.601 1.504 ( -0.375 1.332 2.202) 2.601 1.560 ( -1.827 -1.753 1.708) 3.055 1.560 ( -1.827 1.753 1.708) 3.055 1.794 ( 0.783 -2.235 -2.413) 3.381 1.794 ( 0.783 2.235 -2.413) 3.381 2.128 ( 1.980 -3.341 -3.813) 5.443 2.128 ( 1.980 3.341 -3.813) 5.443 2.391 ( 0.257 -1.733 -1.449) 2.274 2.391 ( 0.257 1.733 -1.449) 2.274 2.475 ( -0.807 -1.774 0.133) 1.954 2.475 ( -0.807 1.774 0.133) 1.954 2.552 ( 1.555 -1.567 2.791) 3.559 2.552 ( 1.555 1.567 2.791) 3.559 3.466 ( -2.774 -4.563 -3.170) 6.210 3.466 ( -2.774 4.563 -3.170) 6.210 3.498 ( -0.959 -2.154 -0.592) 2.431 3.498 ( -0.959 2.154 -0.592) 2.431 4.046 ( 0.014 -2.994 1.343) 3.282 4.046 ( 0.014 2.994 1.343) 3.282 4.109 ( 0.014 -0.626 -1.462) 1.590 4.109 ( 0.014 0.626 -1.462) 1.590 5.842 ( 0.312 -0.846 0.189) 0.922 5.842 ( 0.312 0.846 0.189) 0.922 5.913 ( 0.129 -0.624 0.252) 0.685 5.913 ( 0.129 0.624 0.252) 0.685 6.382 ( 0.220 -0.426 -0.044) 0.482 6.382 ( 0.220 0.426 -0.044) 0.482 6.531 ( -0.221 -1.019 0.003) 1.043 6.531 ( -0.221 1.019 0.003) 1.043 ======================= Grid point 201 (110/136) ======================= q-point: ( 0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 1.977 -2.917 3.871) 5.235 0.902 ( 1.977 2.917 3.871) 5.235 1.015 ( -1.760 -2.480 6.263) 6.963 1.015 ( -1.760 2.480 6.263) 6.963 1.322 ( 2.375 -4.466 -4.655) 6.874 1.322 ( 2.375 4.466 -4.655) 6.874 1.486 ( -3.135 -2.367 2.587) 4.703 1.486 ( -3.135 2.367 2.587) 4.703 1.536 ( -1.548 -0.896 2.544) 3.110 1.536 ( -1.548 0.896 2.544) 3.110 1.784 ( -0.292 -3.419 -3.170) 4.672 1.784 ( -0.292 3.419 -3.170) 4.672 2.134 ( 0.959 -3.170 -4.300) 5.427 2.134 ( 0.959 3.170 -4.300) 5.427 2.377 ( -0.871 -1.136 -1.226) 1.885 2.377 ( -0.871 1.136 -1.226) 1.885 2.467 ( -0.198 -1.524 0.688) 1.684 2.467 ( -0.198 1.524 0.688) 1.684 2.591 ( 1.169 -2.659 0.830) 3.021 2.591 ( 1.169 2.659 0.830) 3.021 3.422 ( -0.749 -0.496 0.205) 0.921 3.422 ( -0.749 0.496 0.205) 0.921 3.494 ( 0.581 -0.521 0.571) 0.967 3.494 ( 0.581 0.521 0.571) 0.967 4.046 ( -0.656 -0.973 1.103) 1.610 4.046 ( -0.656 0.973 1.103) 1.610 4.110 ( 0.783 -1.176 -1.264) 1.896 4.110 ( 0.783 1.176 -1.264) 1.896 5.847 ( 0.185 -0.414 -0.132) 0.472 5.847 ( 0.185 0.414 -0.132) 0.472 5.916 ( 0.048 -0.163 0.068) 0.183 5.916 ( 0.048 0.163 0.068) 0.183 6.389 ( 0.563 -0.663 -0.132) 0.880 6.389 ( 0.563 0.663 -0.132) 0.880 6.527 ( -0.235 -0.375 0.182) 0.478 6.527 ( -0.235 0.375 0.182) 0.478 ======================= Grid point 203 (111/136) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 4.039 -3.371 7.000) 8.757 1.004 ( 4.039 3.371 7.000) 8.757 1.033 ( 1.687 -5.414 4.689) 7.359 1.033 ( 1.687 5.414 4.689) 7.359 1.341 ( 2.292 -2.390 -4.679) 5.732 1.341 ( 2.292 2.390 -4.679) 5.732 1.416 ( -5.819 -2.778 3.527) 7.350 1.416 ( -5.819 2.778 3.527) 7.350 1.536 ( 0.136 -3.139 2.314) 3.902 1.536 ( 0.136 3.139 2.314) 3.902 1.760 ( -0.207 -2.960 -3.159) 4.334 1.760 ( -0.207 2.960 -3.159) 4.334 2.117 ( -0.327 -2.868 -4.178) 5.078 2.117 ( -0.327 2.868 -4.178) 5.078 2.350 ( -1.251 -0.619 -1.255) 1.877 2.350 ( -1.251 0.619 -1.255) 1.877 2.473 ( 0.275 -1.162 1.116) 1.635 2.473 ( 0.275 1.162 1.116) 1.635 2.592 ( -0.765 -6.559 -1.800) 6.844 2.592 ( -0.765 6.559 -1.800) 6.844 3.441 ( 1.419 -2.433 3.265) 4.312 3.441 ( 1.419 2.433 3.265) 4.312 3.528 ( 2.357 -2.377 2.318) 4.072 3.528 ( 2.357 2.377 2.318) 4.072 4.038 ( -0.770 -1.766 1.014) 2.177 4.038 ( -0.770 1.766 1.014) 2.177 4.119 ( 0.860 -2.762 -1.287) 3.166 4.119 ( 0.860 2.762 -1.287) 3.166 5.848 ( 0.098 -0.886 -0.391) 0.974 5.848 ( 0.098 0.886 -0.391) 0.974 5.914 ( -0.276 -0.753 -0.145) 0.815 5.914 ( -0.276 0.753 -0.145) 0.815 6.400 ( 0.605 -1.148 -0.084) 1.300 6.400 ( 0.605 1.148 -0.084) 1.300 6.525 ( -0.121 -0.115 0.336) 0.376 6.525 ( -0.121 0.115 0.336) 0.376 ======================= Grid point 205 (112/136) ======================= q-point: ( 0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.228 -2.082 5.230) 5.634 1.049 ( -0.228 2.082 5.230) 5.634 1.166 ( 5.932 -4.853 5.954) 9.706 1.166 ( 5.932 4.853 5.954) 9.706 1.319 ( -5.072 -2.320 1.869) 5.882 1.319 ( -5.072 2.320 1.869) 5.882 1.364 ( 1.626 -2.573 -2.316) 3.825 1.364 ( 1.626 2.573 -2.316) 3.825 1.560 ( 1.081 -3.289 1.501) 3.773 1.560 ( 1.081 3.289 1.501) 3.773 1.750 ( 0.846 -1.323 -2.454) 2.914 1.750 ( 0.846 1.323 -2.454) 2.914 2.079 ( -1.412 -1.814 -3.673) 4.333 2.079 ( -1.412 1.814 -3.673) 4.333 2.320 ( -1.004 -0.903 -2.019) 2.429 2.320 ( -1.004 0.903 -2.019) 2.429 2.486 ( 0.348 -0.984 1.134) 1.541 2.486 ( 0.348 0.984 1.134) 1.541 2.556 ( -1.465 -6.692 -2.224) 7.202 2.556 ( -1.465 6.692 -2.224) 7.202 3.491 ( 1.763 -1.978 3.519) 4.405 3.491 ( 1.763 1.978 3.519) 4.405 3.599 ( 3.157 -3.704 3.491) 5.990 3.599 ( 3.157 3.704 3.491) 5.990 4.031 ( -0.574 -3.884 1.400) 4.169 4.031 ( -0.574 3.884 1.400) 4.169 4.127 ( 0.790 -4.430 -1.701) 4.811 4.127 ( 0.790 4.430 -1.701) 4.811 5.847 ( 0.068 -1.321 -0.485) 1.409 5.847 ( 0.068 1.321 -0.485) 1.409 5.903 ( -0.659 -0.853 -0.278) 1.113 5.903 ( -0.659 0.853 -0.278) 1.113 6.408 ( 0.190 -1.179 0.119) 1.200 6.408 ( 0.190 1.179 0.119) 1.200 6.527 ( 0.144 -0.328 0.342) 0.495 6.527 ( 0.144 0.328 0.342) 0.495 ======================= Grid point 207 (113/136) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.415 -2.656 5.413) 6.193 1.061 ( -1.415 2.656 5.413) 6.193 1.248 ( -3.088 -2.950 2.902) 5.164 1.248 ( -3.088 2.950 2.902) 5.163 1.276 ( 2.226 -2.406 4.007) 5.176 1.276 ( 2.226 2.406 4.007) 5.176 1.388 ( 1.860 -4.586 -2.095) 5.374 1.388 ( 1.860 4.586 -2.095) 5.374 1.582 ( 0.695 -2.803 -0.216) 2.896 1.582 ( 0.695 2.803 -0.216) 2.896 1.765 ( 1.928 -2.086 -2.100) 3.532 1.765 ( 1.928 2.086 -2.100) 3.532 2.037 ( -0.829 -0.898 -2.898) 3.145 2.037 ( -0.829 0.898 -2.898) 3.145 2.297 ( 0.048 -0.075 -2.402) 2.403 2.297 ( 0.048 0.075 -2.402) 2.403 2.491 ( -0.425 -1.319 0.700) 1.552 2.491 ( -0.425 1.319 0.700) 1.552 2.531 ( -0.196 -3.754 -0.963) 3.880 2.531 ( -0.196 3.754 -0.963) 3.880 3.535 ( 1.127 -1.168 2.441) 2.931 3.535 ( 1.127 1.168 2.441) 2.931 3.663 ( 1.717 -2.563 2.310) 3.854 3.663 ( 1.717 2.563 2.310) 3.854 4.032 ( -0.395 -5.541 1.880) 5.865 4.032 ( -0.395 5.541 1.880) 5.865 4.131 ( 0.791 -5.817 -2.202) 6.269 4.131 ( 0.791 5.817 -2.202) 6.269 5.844 ( -0.171 -1.125 -0.425) 1.215 5.844 ( -0.171 1.125 -0.425) 1.215 5.891 ( -0.421 -0.417 -0.072) 0.597 5.891 ( -0.421 0.417 -0.072) 0.597 6.407 ( -0.409 -0.777 0.383) 0.958 6.407 ( -0.409 0.777 0.383) 0.958 6.533 ( 0.294 -0.955 0.153) 1.011 6.533 ( 0.294 0.955 0.153) 1.011 ======================= Grid point 209 (114/136) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.810 -3.475 6.447) 7.545 1.062 ( -1.810 3.475 6.447) 7.545 1.214 ( -1.875 -2.106 1.295) 3.102 1.214 ( -1.875 2.106 1.295) 3.102 1.306 ( -1.101 -1.696 1.865) 2.751 1.306 ( -1.101 1.697 1.865) 2.751 1.401 ( 1.015 -6.590 -1.314) 6.796 1.401 ( 1.015 6.590 -1.314) 6.796 1.581 ( 0.017 -3.403 -1.839) 3.868 1.581 ( 0.017 3.403 -1.839) 3.868 1.787 ( 1.496 -2.586 -2.255) 3.743 1.787 ( 1.496 2.586 -2.255) 3.743 2.032 ( 1.569 -2.344 -1.632) 3.259 2.032 ( 1.569 2.344 -1.632) 3.259 2.304 ( 1.905 -2.157 -1.609) 3.297 2.304 ( 1.905 2.157 -1.609) 3.297 2.486 ( -0.413 -1.212 0.990) 1.618 2.486 ( -0.413 1.212 0.990) 1.618 2.527 ( -0.106 -1.592 -0.735) 1.757 2.527 ( -0.106 1.592 -0.735) 1.757 3.554 ( -0.058 -1.182 0.699) 1.374 3.554 ( -0.058 1.182 0.699) 1.374 3.682 ( -0.477 -1.471 0.037) 1.547 3.682 ( -0.477 1.471 0.037) 1.547 4.032 ( -0.652 -6.420 1.577) 6.643 4.032 ( -0.652 6.420 1.577) 6.643 4.134 ( 0.720 -5.707 -2.170) 6.148 4.134 ( 0.720 5.707 -2.170) 6.148 5.837 ( -0.406 -0.098 -0.153) 0.445 5.837 ( -0.406 0.098 -0.153) 0.445 5.891 ( 0.255 -0.508 0.326) 0.655 5.891 ( 0.255 0.508 0.326) 0.655 6.398 ( -0.715 -0.652 0.492) 1.085 6.398 ( -0.715 0.652 0.492) 1.085 6.538 ( 0.163 -1.581 -0.070) 1.591 6.538 ( 0.163 1.581 -0.070) 1.591 ======================= Grid point 211 (115/136) ======================= q-point: (-0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.402 -2.348 6.520) 7.335 1.059 ( -2.402 2.348 6.520) 7.335 1.160 ( -5.112 -5.612 -1.630) 7.764 1.160 ( -5.112 5.612 -1.630) 7.764 1.276 ( -0.442 -4.191 -1.272) 4.402 1.276 ( -0.442 4.191 -1.272) 4.402 1.432 ( 1.941 -5.102 1.987) 5.809 1.432 ( 1.941 5.102 1.987) 5.809 1.575 ( 0.533 -3.071 -1.982) 3.693 1.575 ( 0.533 3.071 -1.982) 3.694 1.794 ( 0.524 -2.040 -2.193) 3.041 1.794 ( 0.524 2.040 -2.193) 3.041 2.064 ( 2.569 -3.268 -1.688) 4.486 2.064 ( 2.569 3.268 -1.688) 4.486 2.345 ( 2.839 -3.121 -1.019) 4.340 2.345 ( 2.839 3.121 -1.019) 4.340 2.488 ( -0.190 -2.697 1.996) 3.360 2.488 ( -0.190 2.697 1.996) 3.360 2.516 ( -0.471 -1.216 -0.913) 1.592 2.516 ( -0.471 1.216 -0.913) 1.592 3.543 ( -0.953 -2.795 -0.891) 3.084 3.543 ( -0.953 2.795 -0.891) 3.084 3.644 ( -2.874 -4.116 -2.405) 5.566 3.644 ( -2.874 4.116 -2.405) 5.566 4.029 ( -0.314 -5.851 1.250) 5.991 4.029 ( -0.314 5.851 1.250) 5.991 4.132 ( 0.200 -3.941 -1.792) 4.334 4.132 ( 0.200 3.941 -1.792) 4.334 5.832 ( -0.100 -0.862 0.230) 0.898 5.832 ( -0.100 0.862 0.230) 0.898 5.900 ( 0.390 -1.007 0.500) 1.190 5.900 ( 0.390 1.007 0.500) 1.190 6.388 ( -0.597 -0.746 0.379) 1.028 6.388 ( -0.597 0.746 0.379) 1.028 6.538 ( -0.043 -1.791 -0.177) 1.801 6.538 ( -0.043 1.791 -0.177) 1.801 ======================= Grid point 213 (116/136) ======================= q-point: (-0.12 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -6.383 -11.598 -0.845) 13.265 1.017 ( -6.383 11.598 -0.845) 13.265 1.051 ( -3.503 -3.769 4.557) 6.873 1.051 ( -3.503 3.769 4.557) 6.873 1.284 ( 1.814 -6.824 -2.966) 7.658 1.284 ( 1.814 6.824 -2.966) 7.658 1.480 ( 1.363 -2.321 3.093) 4.100 1.480 ( 1.363 2.321 3.093) 4.100 1.575 ( -0.089 -1.651 -0.511) 1.731 1.575 ( -0.089 1.651 -0.511) 1.731 1.790 ( 0.623 -1.361 -2.147) 2.617 1.790 ( 0.623 1.361 -2.147) 2.617 2.102 ( 2.633 -3.477 -2.733) 5.147 2.102 ( 2.633 3.477 -2.733) 5.147 2.382 ( 1.656 -2.198 -1.510) 3.139 2.382 ( 1.656 2.198 -1.510) 3.139 2.490 ( -0.873 -2.935 0.746) 3.151 2.490 ( -0.873 2.935 0.746) 3.151 2.516 ( 0.740 -2.678 1.861) 3.344 2.516 ( 0.740 2.678 1.861) 3.344 3.515 ( -1.175 -2.948 -1.769) 3.633 3.515 ( -1.175 2.948 -1.769) 3.633 3.560 ( -3.977 -5.670 -3.484) 7.752 3.560 ( -3.977 5.670 -3.484) 7.752 4.035 ( 0.234 -4.463 1.299) 4.654 4.035 ( 0.234 4.463 1.299) 4.654 4.122 ( -0.312 -2.152 -1.545) 2.668 4.122 ( -0.312 2.152 -1.545) 2.668 5.835 ( 0.244 -1.164 0.368) 1.245 5.835 ( 0.244 1.164 0.368) 1.245 5.908 ( 0.226 -1.081 0.423) 1.183 5.908 ( 0.226 1.081 0.423) 1.183 6.382 ( -0.219 -0.660 0.154) 0.713 6.382 ( -0.219 0.660 0.154) 0.713 6.535 ( -0.163 -1.559 -0.136) 1.573 6.535 ( -0.163 1.559 -0.136) 1.573 ======================= Grid point 231 (117/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -1.049 0.000 -1.796) 2.080 0.915 ( 1.049 0.000 1.796) 2.080 1.075 ( 4.893 0.000 -2.853) 5.664 1.075 ( -4.893 0.000 2.853) 5.664 1.371 ( 1.245 0.000 -0.614) 1.388 1.371 ( -1.245 0.000 0.614) 1.388 1.529 ( 0.829 0.000 -7.898) 7.942 1.529 ( -0.829 0.000 7.898) 7.942 1.612 ( -0.287 0.000 -1.363) 1.393 1.612 ( 0.287 0.000 1.363) 1.393 1.808 ( -3.973 0.000 -3.096) 5.036 1.808 ( 3.973 0.000 3.096) 5.036 2.067 ( 5.350 0.000 -3.328) 6.301 2.067 ( -5.350 0.000 3.328) 6.301 2.315 ( 1.078 0.000 -3.058) 3.243 2.315 ( -1.078 0.000 3.058) 3.243 2.394 ( -0.011 0.000 -0.710) 0.710 2.394 ( 0.011 0.000 0.710) 0.710 2.591 ( 0.065 0.000 -0.450) 0.455 2.591 ( -0.065 0.000 0.450) 0.455 3.546 ( -2.749 0.000 -1.305) 3.043 3.546 ( 2.749 0.000 1.305) 3.043 3.668 ( -2.350 0.000 -3.113) 3.900 3.668 ( 2.350 0.000 3.113) 3.900 4.022 ( -2.944 0.000 -5.117) 5.903 4.022 ( 2.944 0.000 5.117) 5.903 4.130 ( -3.129 0.000 -3.301) 4.548 4.130 ( 3.129 0.000 3.301) 4.548 5.821 ( 0.585 0.000 -0.206) 0.621 5.821 ( -0.585 0.000 0.206) 0.621 5.893 ( 0.123 0.000 -0.407) 0.425 5.893 ( -0.123 0.000 0.407) 0.425 6.398 ( -1.156 0.000 -0.175) 1.169 6.398 ( 1.156 0.000 0.175) 1.169 6.542 ( -0.966 0.000 -2.282) 2.478 6.542 ( 0.966 0.000 2.282) 2.478 ======================= Grid point 233 (118/136) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 1.323 0.000 -7.104) 7.226 0.917 ( 0.020 0.000 -8.846) 8.846 1.023 ( -2.125 0.000 8.141) 8.413 1.125 ( 1.430 0.000 -2.276) 2.688 1.324 ( -1.927 0.000 -1.881) 2.693 1.326 ( -2.687 0.000 -7.520) 7.985 1.548 ( 3.201 0.000 -1.755) 3.651 1.557 ( -2.180 0.000 6.583) 6.934 1.598 ( -0.470 0.000 0.003) 0.470 1.628 ( 0.945 0.000 0.624) 1.132 1.704 ( -5.253 0.000 -1.905) 5.587 1.848 ( -1.974 0.000 1.947) 2.773 2.011 ( -2.818 0.000 7.230) 7.760 2.135 ( 3.437 0.000 -3.713) 5.060 2.323 ( 0.588 0.000 2.566) 2.632 2.328 ( 1.775 0.000 -1.791) 2.522 2.397 ( 0.352 0.000 -0.264) 0.440 2.404 ( 0.415 0.000 0.775) 0.879 2.599 ( 0.908 0.000 0.202) 0.930 2.605 ( 1.246 0.000 1.161) 1.703 3.465 ( -4.365 0.000 -4.306) 6.131 3.555 ( -6.284 0.000 -7.906) 10.099 3.584 ( 1.243 0.000 -1.152) 1.695 3.678 ( -1.410 0.000 -0.913) 1.680 3.958 ( -1.209 0.000 -3.077) 3.306 4.048 ( -1.850 0.000 0.153) 1.856 4.138 ( 3.535 0.000 4.427) 5.665 4.218 ( 3.782 0.000 3.451) 5.120 5.821 ( 0.111 0.000 1.045) 1.050 5.839 ( 1.102 0.000 0.536) 1.225 5.893 ( 0.180 0.000 -0.516) 0.547 5.894 ( 0.113 0.000 0.364) 0.381 6.379 ( -0.770 0.000 0.035) 0.770 6.422 ( 1.265 0.000 0.016) 1.265 6.512 ( -0.879 0.000 -2.213) 2.381 6.567 ( 0.392 0.000 2.189) 2.224 ======================= Grid point 234 (119/136) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 1.186 0.000 -8.619) 8.700 0.898 ( 4.383 0.000 -9.166) 10.159 1.051 ( -0.339 0.000 5.746) 5.756 1.107 ( -1.786 0.000 -0.811) 1.961 1.235 ( -3.105 0.000 -5.843) 6.617 1.313 ( 2.144 0.000 -2.507) 3.299 1.486 ( -7.207 0.000 3.133) 7.859 1.583 ( -1.338 0.000 -1.757) 2.208 1.606 ( 0.019 0.000 2.213) 2.213 1.616 ( 0.314 0.000 -1.638) 1.668 1.655 ( 1.023 0.000 -0.394) 1.097 1.793 ( -3.926 0.000 2.566) 4.691 2.017 ( -1.814 0.000 8.399) 8.593 2.150 ( 0.817 0.000 -5.185) 5.249 2.353 ( 1.134 0.000 -0.493) 1.237 2.361 ( 1.641 0.000 1.971) 2.565 2.395 ( -0.396 0.000 -0.431) 0.586 2.412 ( 0.108 0.000 0.076) 0.132 2.636 ( 2.672 0.000 2.052) 3.369 2.658 ( 3.591 0.000 2.666) 4.472 3.344 ( -5.381 0.000 -6.435) 8.389 3.370 ( -7.547 0.000 -10.820) 13.191 3.588 ( 0.060 0.000 -1.705) 1.706 3.629 ( -2.645 0.000 -1.610) 3.096 3.942 ( 0.590 0.000 -1.649) 1.751 4.019 ( -1.705 0.000 1.282) 2.133 4.226 ( 2.969 0.000 4.363) 5.277 4.292 ( 2.498 0.000 1.508) 2.918 5.834 ( 0.520 0.000 1.460) 1.550 5.861 ( 0.844 0.000 0.377) 0.924 5.896 ( 0.414 0.000 -0.287) 0.504 5.901 ( 0.385 0.000 0.343) 0.516 6.370 ( -0.334 0.000 0.498) 0.600 6.433 ( -0.178 0.000 -0.804) 0.824 6.499 ( 0.965 0.000 -1.654) 1.915 6.579 ( -0.425 0.000 2.024) 2.068 ======================= Grid point 235 (120/136) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 5.359 0.000 -5.562) 7.724 0.959 ( 6.590 0.000 -7.707) 10.140 1.059 ( -1.276 0.000 3.543) 3.766 1.076 ( -1.347 0.000 0.607) 1.477 1.145 ( -4.086 0.000 -1.227) 4.266 1.301 ( -6.140 0.000 -1.499) 6.320 1.412 ( 1.345 0.000 2.295) 2.660 1.521 ( -2.208 0.000 -2.786) 3.555 1.617 ( -0.165 0.000 3.105) 3.110 1.652 ( 2.386 0.000 -3.493) 4.230 1.663 ( 0.650 0.000 -0.000) 0.650 1.744 ( -3.122 0.000 2.952) 4.296 2.032 ( -0.916 0.000 7.536) 7.592 2.118 ( -0.835 0.000 -5.966) 6.024 2.361 ( 0.220 0.000 -0.628) 0.666 2.377 ( -0.782 0.000 -0.113) 0.790 2.394 ( 0.596 0.000 0.774) 0.977 2.410 ( -0.152 0.000 -0.443) 0.469 2.720 ( 4.202 0.000 4.225) 5.959 2.756 ( 4.356 0.000 3.470) 5.569 3.187 ( -5.614 0.000 -9.329) 10.888 3.208 ( -5.451 0.000 -5.806) 7.964 3.573 ( -0.459 0.000 -1.568) 1.634 3.580 ( -1.722 0.000 -0.591) 1.821 3.953 ( 1.397 0.000 -1.608) 2.130 3.996 ( -1.782 0.000 1.961) 2.650 4.289 ( 1.656 0.000 3.312) 3.703 4.325 ( 0.930 0.000 -0.560) 1.086 5.851 ( 0.442 0.000 1.403) 1.471 5.869 ( 0.136 0.000 -0.686) 0.699 5.907 ( 0.597 0.000 0.336) 0.686 5.911 ( 0.391 0.000 0.206) 0.442 6.373 ( 0.203 0.000 1.008) 1.028 6.413 ( -1.018 0.000 -1.381) 1.716 6.523 ( 2.088 0.000 -1.396) 2.511 6.573 ( -1.249 0.000 1.835) 2.220 ======================= Grid point 236 (121/136) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -4.866 0.000 1.558) 5.109 0.981 ( 4.866 0.000 -1.558) 5.109 1.049 ( 1.243 0.000 -3.227) 3.458 1.049 ( -1.243 0.000 3.227) 3.458 1.161 ( -6.398 0.000 0.166) 6.400 1.161 ( 6.398 0.000 -0.166) 6.400 1.470 ( -2.403 0.000 -1.747) 2.971 1.470 ( 2.403 0.000 1.747) 2.971 1.638 ( -0.336 0.000 -3.665) 3.681 1.638 ( 0.336 0.000 3.665) 3.681 1.702 ( 2.814 0.000 -1.810) 3.346 1.702 ( -2.814 0.000 1.810) 3.346 2.067 ( -0.640 0.000 -6.681) 6.712 2.067 ( 0.640 0.000 6.681) 6.712 2.364 ( 0.508 0.000 -0.294) 0.587 2.364 ( -0.508 0.000 0.294) 0.587 2.404 ( -0.180 0.000 -0.532) 0.561 2.404 ( 0.180 0.000 0.532) 0.561 2.802 ( -1.292 0.000 -1.749) 2.175 2.802 ( 1.292 0.000 1.749) 2.175 3.113 ( -1.651 0.000 0.486) 1.722 3.113 ( 1.651 0.000 -0.486) 1.722 3.563 ( 0.189 0.000 -0.683) 0.709 3.563 ( -0.189 0.000 0.683) 0.709 3.973 ( 1.729 0.000 -1.934) 2.594 3.973 ( -1.729 0.000 1.934) 2.594 4.323 ( -0.397 0.000 -2.122) 2.159 4.323 ( 0.397 0.000 2.122) 2.159 5.864 ( -0.143 0.000 -1.145) 1.154 5.864 ( 0.143 0.000 1.145) 1.154 5.915 ( -0.043 0.000 -0.125) 0.132 5.915 ( 0.043 0.000 0.125) 0.132 6.388 ( -0.750 0.000 -1.344) 1.539 6.388 ( 0.750 0.000 1.344) 1.539 6.553 ( 1.892 0.000 -1.611) 2.485 6.553 ( -1.892 0.000 1.611) 2.485 ======================= Grid point 241 (122/136) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.618 1.092 -8.466) 8.558 0.929 ( 0.618 1.092 8.466) 8.558 1.065 ( 1.332 -0.814 -5.423) 5.643 1.065 ( -1.332 -0.814 5.423) 5.643 1.346 ( 0.327 -2.271 -1.686) 2.847 1.346 ( -0.327 -2.271 1.686) 2.847 1.526 ( 0.973 0.143 -6.747) 6.819 1.526 ( -0.973 0.143 6.747) 6.819 1.602 ( -1.039 -1.110 -2.662) 3.066 1.602 ( 1.039 -1.110 2.662) 3.066 1.796 ( -0.889 -1.083 -1.315) 1.922 1.796 ( 0.889 -1.083 1.315) 1.922 2.083 ( 2.222 1.054 -5.033) 5.602 2.083 ( -2.222 1.054 5.033) 5.602 2.345 ( -1.109 2.742 -2.050) 3.599 2.345 ( 1.109 2.742 2.050) 3.599 2.392 ( 0.005 0.110 -0.906) 0.912 2.392 ( -0.005 0.110 0.906) 0.912 2.585 ( -1.313 -0.582 -0.818) 1.653 2.585 ( 1.313 -0.582 0.818) 1.653 3.528 ( -2.416 -1.694 -1.910) 3.515 3.528 ( 2.416 -1.694 1.910) 3.515 3.620 ( -3.577 -4.413 -3.841) 6.857 3.620 ( 3.577 -4.413 3.841) 6.857 4.029 ( -2.512 0.675 -4.657) 5.335 4.029 ( 2.512 0.675 4.657) 5.335 4.124 ( -2.833 -0.601 -2.316) 3.709 4.124 ( 2.833 -0.601 2.316) 3.709 5.827 ( -0.480 0.533 -0.872) 1.129 5.827 ( 0.480 0.533 0.872) 1.129 5.898 ( -0.504 0.503 -0.615) 0.940 5.898 ( 0.504 0.503 0.615) 0.940 6.394 ( -0.796 -0.365 -0.341) 0.940 6.394 ( 0.796 -0.365 0.341) 0.940 6.540 ( -0.823 -0.248 -1.949) 2.130 6.540 ( 0.823 -0.248 1.949) 2.130 ======================= Grid point 243 (123/136) ======================= q-point: ( 0.12 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -0.310 -1.333 -10.278) 10.369 0.962 ( 0.476 3.194 -0.614) 3.287 1.037 ( -0.450 1.381 4.671) 4.892 1.132 ( 3.062 0.116 -1.753) 3.530 1.290 ( -1.944 -1.116 -0.152) 2.246 1.369 ( -0.546 1.104 -4.549) 4.713 1.507 ( -0.062 -3.317 0.282) 3.329 1.544 ( -0.913 -0.753 1.131) 1.637 1.582 ( 0.659 -0.997 -0.220) 1.215 1.624 ( -0.253 -1.397 1.436) 2.019 1.701 ( -5.436 0.448 2.524) 6.010 1.846 ( 0.336 -0.782 -0.820) 1.181 2.027 ( -2.959 1.513 4.089) 5.269 2.124 ( 1.774 -0.817 -2.743) 3.367 2.310 ( -1.164 0.774 -1.229) 1.861 2.386 ( 0.822 1.052 0.577) 1.454 2.396 ( 1.032 1.088 0.724) 1.665 2.403 ( 0.630 0.998 1.055) 1.583 2.568 ( -0.287 -1.688 -0.154) 1.720 2.635 ( 3.456 1.470 1.750) 4.143 3.455 ( -3.643 -0.896 -3.930) 5.434 3.498 ( -5.287 -4.214 -6.638) 9.475 3.576 ( 1.189 -0.754 0.562) 1.516 3.672 ( 0.719 -1.579 0.810) 1.915 3.970 ( -1.265 1.242 -3.275) 3.724 4.054 ( -1.903 0.528 0.047) 1.975 4.125 ( 2.950 -1.146 4.285) 5.327 4.198 ( 3.291 -1.956 2.515) 4.580 5.818 ( -0.115 0.045 0.056) 0.136 5.848 ( 0.987 0.560 0.812) 1.396 5.887 ( -0.338 0.057 -0.495) 0.602 5.911 ( 0.453 0.802 0.338) 0.981 6.378 ( -0.594 -0.104 -0.030) 0.604 6.416 ( 1.214 -0.572 -0.040) 1.342 6.514 ( -0.745 0.208 -1.811) 1.969 6.561 ( 0.360 -0.561 1.927) 2.039 ======================= Grid point 244 (124/136) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 4.194 0.975 -6.634) 7.909 0.966 ( 2.098 4.200 -4.938) 6.813 1.063 ( -0.243 1.331 4.760) 4.949 1.146 ( -0.142 3.106 -2.171) 3.792 1.270 ( -1.281 2.891 -3.488) 4.709 1.323 ( 0.807 0.769 -3.408) 3.586 1.464 ( -5.943 -1.807 2.988) 6.893 1.526 ( -1.388 -5.115 -0.044) 5.300 1.610 ( -1.141 -2.424 2.244) 3.495 1.618 ( 2.731 1.365 -1.421) 3.367 1.652 ( -1.124 1.044 1.249) 1.978 1.807 ( -3.555 1.012 1.126) 3.864 2.023 ( -1.009 0.337 5.703) 5.801 2.124 ( 0.175 -2.124 -3.579) 4.165 2.295 ( 0.280 -1.654 -0.997) 1.951 2.378 ( -0.948 -1.017 -0.399) 1.446 2.418 ( 0.721 0.513 0.749) 1.160 2.430 ( 0.896 2.743 1.108) 3.091 2.573 ( 0.737 -2.836 0.913) 3.069 2.722 ( 4.199 1.664 1.954) 4.922 3.333 ( -5.489 0.526 -6.965) 8.884 3.391 ( -3.170 1.927 -3.995) 5.452 3.588 ( 0.189 0.281 -0.551) 0.647 3.662 ( -1.336 1.784 -1.374) 2.619 3.948 ( 0.287 0.740 -2.046) 2.195 4.022 ( -1.773 0.431 1.065) 2.112 4.204 ( 2.634 -2.100 4.376) 5.522 4.262 ( 2.415 -2.864 1.173) 3.926 5.824 ( 0.438 -0.589 0.835) 1.112 5.867 ( 0.582 0.306 0.089) 0.664 5.884 ( 0.306 -0.434 -0.009) 0.531 5.917 ( 0.111 0.710 0.054) 0.721 6.372 ( -0.111 0.189 0.311) 0.380 6.429 ( 0.162 -0.422 -0.671) 0.809 6.502 ( 0.658 0.333 -1.389) 1.573 6.572 ( -0.348 -0.644 1.818) 1.960 ======================= Grid point 245 (125/136) ======================= q-point: ( 0.38 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 6.417 4.220 -2.500) 8.077 1.000 ( 4.683 3.496 -5.522) 8.040 1.072 ( -1.231 1.407 3.564) 4.025 1.126 ( -0.481 4.421 -1.173) 4.599 1.196 ( -3.556 4.601 -2.105) 6.184 1.319 ( -4.813 1.334 -1.152) 5.125 1.399 ( 1.466 -1.269 0.613) 2.033 1.486 ( -2.548 -3.587 0.736) 4.460 1.611 ( -0.059 -0.606 2.149) 2.234 1.644 ( -0.000 -0.861 -1.016) 1.332 1.665 ( 2.758 0.695 -1.906) 3.424 1.751 ( -3.424 0.731 2.656) 4.395 2.036 ( -0.768 0.173 5.870) 5.923 2.097 ( -0.645 -2.037 -4.475) 4.959 2.305 ( 1.031 -2.785 -0.255) 2.980 2.354 ( -1.337 -1.373 -0.414) 1.960 2.433 ( 0.516 1.428 0.435) 1.579 2.442 ( 0.126 2.361 0.330) 2.387 2.614 ( 2.799 -5.082 3.159) 6.606 2.769 ( -0.122 -3.926 -2.023) 4.418 3.237 ( -1.362 8.468 -1.880) 8.780 3.319 ( -2.485 6.853 -3.772) 8.208 3.583 ( -0.153 1.289 -0.407) 1.360 3.621 ( -1.755 3.137 -1.825) 4.031 3.953 ( 1.262 0.175 -1.714) 2.135 3.997 ( -1.856 0.247 1.803) 2.599 4.263 ( 1.501 -2.545 3.476) 4.562 4.296 ( 1.062 -2.963 -0.672) 3.218 5.841 ( 0.692 -0.801 1.324) 1.695 5.869 ( 0.001 0.037 -0.743) 0.744 5.895 ( 0.648 -0.822 0.145) 1.056 5.915 ( -0.289 0.093 -0.057) 0.309 6.377 ( 0.396 0.427 0.706) 0.915 6.416 ( -0.869 0.195 -1.086) 1.405 6.521 ( 1.861 -0.103 -1.226) 2.231 6.567 ( -1.116 -0.551 1.658) 2.073 ======================= Grid point 246 (126/136) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.307 3.274 -0.695) 3.593 1.020 ( 1.307 3.274 0.695) 3.593 1.089 ( -2.401 4.028 -2.303) 5.225 1.089 ( 2.401 4.028 2.303) 5.225 1.202 ( -5.289 3.527 0.624) 6.388 1.202 ( 5.289 3.527 -0.624) 6.388 1.446 ( 0.697 -2.216 -2.725) 3.581 1.446 ( -0.697 -2.216 2.725) 3.581 1.629 ( -0.172 -0.837 -2.815) 2.941 1.629 ( 0.172 -0.837 2.815) 2.941 1.706 ( 2.465 0.530 -2.595) 3.618 1.706 ( -2.465 0.530 2.595) 3.618 2.061 ( -0.249 -0.839 -5.274) 5.346 2.061 ( 0.249 -0.839 5.274) 5.346 2.327 ( -1.282 -2.109 -0.203) 2.477 2.327 ( 1.282 -2.109 0.203) 2.477 2.441 ( -0.191 2.133 -0.177) 2.148 2.441 ( 0.191 2.133 0.177) 2.148 2.703 ( -3.808 -6.912 -4.937) 9.308 2.703 ( 3.808 -6.912 4.937) 9.308 3.257 ( -2.105 10.974 -2.978) 11.564 3.257 ( 2.105 10.974 2.978) 11.564 3.589 ( -0.435 2.404 -1.243) 2.742 3.589 ( 0.435 2.404 1.243) 2.742 3.973 ( 1.674 0.070 -1.962) 2.580 3.973 ( -1.674 0.070 1.962) 2.580 4.295 ( -0.197 -2.765 -2.377) 3.652 4.295 ( 0.197 -2.765 2.377) 3.652 5.860 ( -0.463 -0.412 -1.288) 1.430 5.860 ( 0.463 -0.412 1.288) 1.430 5.907 ( -0.540 -0.645 -0.070) 0.844 5.907 ( 0.540 -0.645 0.070) 0.844 6.393 ( -0.649 0.466 -1.198) 1.440 6.393 ( 0.649 0.466 1.198) 1.440 6.549 ( 1.680 -0.371 -1.468) 2.262 6.549 ( -1.680 -0.371 1.468) 2.262 ======================= Grid point 251 (127/136) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.424 -1.382 -8.489) 9.257 0.930 ( 3.424 -1.382 8.489) 9.257 1.072 ( -0.559 2.180 -1.834) 2.904 1.072 ( 0.559 2.180 1.834) 2.904 1.287 ( 1.070 -3.509 -5.859) 6.912 1.287 ( -1.070 -3.509 5.859) 6.912 1.529 ( 0.543 -0.197 -3.625) 3.671 1.529 ( -0.543 -0.197 3.625) 3.671 1.583 ( -1.426 -0.325 -3.151) 3.474 1.583 ( 1.426 -0.325 3.151) 3.474 1.776 ( 3.431 -0.515 -2.920) 4.535 1.776 ( -3.431 -0.515 2.920) 4.535 2.091 ( 1.420 -0.331 -3.800) 4.070 2.091 ( -1.420 -0.331 3.800) 4.070 2.376 ( -0.206 0.144 -1.488) 1.509 2.376 ( 0.206 0.144 1.488) 1.509 2.437 ( -0.411 3.542 -1.626) 3.919 2.437 ( 0.411 3.542 1.626) 3.919 2.576 ( -2.858 0.036 -1.299) 3.140 2.576 ( 2.858 0.036 1.299) 3.140 3.480 ( -1.391 -3.263 -3.096) 4.708 3.480 ( 1.391 -3.263 3.096) 4.708 3.523 ( -2.310 -3.585 -1.996) 4.709 3.523 ( 2.310 -3.585 1.996) 4.709 4.049 ( -1.344 1.260 -3.439) 3.901 4.049 ( 1.344 1.260 3.439) 3.901 4.105 ( -1.963 -1.218 -0.443) 2.352 4.105 ( 1.963 -1.218 0.443) 2.352 5.839 ( -0.483 0.482 -0.833) 1.077 5.839 ( 0.483 0.482 0.833) 1.077 5.910 ( -0.558 0.507 -0.599) 0.963 5.910 ( 0.558 0.507 0.599) 0.963 6.386 ( -0.333 -0.361 -0.375) 0.618 6.386 ( 0.333 -0.361 0.375) 0.618 6.534 ( -0.460 -0.245 -1.094) 1.212 6.534 ( 0.460 -0.245 1.094) 1.212 ======================= Grid point 253 (128/136) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 1.435 2.661 -5.163) 5.983 1.037 ( 0.670 3.386 7.574) 8.324 1.072 ( 2.729 0.963 -2.405) 3.763 1.107 ( 2.606 -1.624 3.032) 4.315 1.257 ( 0.023 -2.413 -2.005) 3.137 1.329 ( 1.833 -4.476 0.565) 4.870 1.492 ( -3.196 1.745 -2.628) 4.491 1.520 ( -1.841 -0.600 -0.316) 1.962 1.562 ( 0.454 -1.342 1.923) 2.389 1.596 ( -1.215 -1.232 0.480) 1.796 1.722 ( -3.521 1.670 3.702) 5.375 1.811 ( 1.445 -2.258 -1.730) 3.191 2.058 ( -2.126 1.172 0.872) 2.579 2.103 ( 0.444 -1.342 -2.037) 2.479 2.343 ( -2.102 1.700 -1.228) 2.969 2.378 ( -0.676 -0.538 0.310) 0.918 2.430 ( 0.485 3.634 -0.683) 3.729 2.455 ( 0.535 2.098 1.473) 2.619 2.536 ( -1.014 -1.203 -0.501) 1.652 2.644 ( 3.371 -1.263 0.396) 3.621 3.421 ( -1.986 -0.823 -2.211) 3.084 3.464 ( -1.367 0.488 -0.695) 1.609 3.544 ( 1.855 -2.369 2.054) 3.643 3.602 ( 3.325 -4.979 3.389) 6.880 4.008 ( -1.037 2.462 -2.963) 3.989 4.066 ( -1.484 0.551 0.110) 1.587 4.100 ( 1.446 -1.127 3.518) 3.967 4.146 ( 2.033 -2.920 0.421) 3.583 5.826 ( -0.352 0.691 -0.647) 1.010 5.853 ( 0.557 -0.165 0.420) 0.717 5.897 ( -0.458 0.844 -0.624) 1.145 5.921 ( 0.324 0.113 0.292) 0.450 6.378 ( -0.122 0.148 -0.158) 0.249 6.401 ( 0.960 -0.833 -0.152) 1.280 6.520 ( -0.406 0.438 -0.861) 1.048 6.547 ( 0.233 -0.793 1.215) 1.470 ======================= Grid point 254 (129/136) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 6.330 7.015 -0.567) 9.466 1.054 ( 0.418 4.354 1.226) 4.542 1.101 ( 0.553 2.143 1.137) 2.488 1.195 ( 3.766 0.792 -0.187) 3.853 1.277 ( 3.216 -3.083 -1.295) 4.640 1.349 ( -0.652 -2.351 0.961) 2.622 1.403 ( -3.473 0.461 -3.238) 4.770 1.474 ( -4.884 0.480 3.196) 5.856 1.550 ( -0.627 -2.824 0.659) 2.967 1.603 ( 1.649 -2.487 -0.595) 3.043 1.697 ( -1.371 2.806 3.289) 4.535 1.809 ( -1.380 -1.375 0.422) 1.993 2.032 ( -0.994 0.900 0.711) 1.518 2.086 ( -0.988 -1.547 -2.158) 2.833 2.297 ( -1.779 1.635 -1.367) 2.776 2.359 ( -1.425 -0.847 0.172) 1.666 2.443 ( 0.818 2.511 0.178) 2.647 2.471 ( 0.440 1.417 0.982) 1.779 2.527 ( -0.066 -1.764 0.496) 1.834 2.678 ( 0.495 -5.646 -2.563) 6.221 3.408 ( 0.816 6.225 1.624) 6.484 3.448 ( -0.119 3.685 0.027) 3.687 3.583 ( 1.438 -1.133 1.188) 2.182 3.663 ( 1.574 -2.052 1.643) 3.064 3.981 ( -0.313 2.675 -2.383) 3.596 4.041 ( -1.370 1.512 0.512) 2.104 4.147 ( 1.315 -3.294 4.005) 5.350 4.182 ( 1.765 -4.631 -0.259) 4.962 5.821 ( 0.103 0.422 -0.131) 0.454 5.862 ( 0.347 -0.892 -0.151) 0.969 5.887 ( -0.218 0.852 -0.438) 0.983 5.922 ( -0.238 -0.243 -0.137) 0.367 6.379 ( 0.368 0.579 -0.047) 0.687 6.415 ( 0.660 -0.926 -0.525) 1.253 6.513 ( 0.189 0.796 -0.599) 1.014 6.554 ( -0.188 -1.023 1.238) 1.617 ======================= Grid point 255 (130/136) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.631 5.825 0.869) 6.919 1.093 ( 5.082 6.196 -0.640) 8.039 1.109 ( -0.558 1.826 2.147) 2.873 1.223 ( 1.175 4.233 -3.682) 5.732 1.303 ( -3.084 4.805 -1.284) 5.853 1.331 ( -0.213 -0.928 -0.264) 0.988 1.362 ( 0.909 -2.445 -0.016) 2.608 1.409 ( -2.780 -2.332 3.242) 4.866 1.568 ( 1.549 -2.634 0.693) 3.133 1.618 ( -0.324 -2.709 0.623) 2.798 1.702 ( 1.005 2.794 -0.102) 2.971 1.771 ( -2.994 0.744 1.842) 3.593 2.026 ( -0.231 -1.040 0.828) 1.349 2.052 ( -1.329 -1.727 -1.434) 2.609 2.274 ( 0.047 -0.193 -0.733) 0.760 2.328 ( -1.980 -1.365 -0.111) 2.408 2.460 ( 0.785 1.620 0.621) 1.905 2.480 ( 0.105 1.380 0.276) 1.411 2.539 ( 0.894 -2.429 1.623) 3.055 2.641 ( -2.101 -7.181 -4.100) 8.531 3.448 ( 1.429 8.486 2.289) 8.904 3.458 ( 0.926 7.797 0.855) 7.899 3.612 ( 1.333 1.283 0.910) 2.062 3.676 ( -0.412 1.414 -0.552) 1.572 3.974 ( 0.737 2.287 -1.682) 2.933 4.017 ( -1.725 2.150 0.929) 2.909 4.187 ( 0.707 -4.940 3.746) 6.240 4.206 ( 1.225 -5.597 -1.451) 5.911 5.829 ( 0.618 -0.132 0.630) 0.893 5.862 ( -0.154 -1.042 -0.866) 1.364 5.885 ( 0.199 0.228 -0.049) 0.306 5.911 ( -0.754 -0.499 -0.370) 0.976 6.390 ( 0.687 0.777 0.152) 1.048 6.416 ( -0.201 -0.208 -0.614) 0.678 6.522 ( 1.038 0.289 -0.627) 1.246 6.552 ( -0.727 -0.892 1.143) 1.622 ======================= Grid point 256 (131/136) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.314 3.050 -1.977) 3.648 1.088 ( -0.314 3.050 1.977) 3.648 1.199 ( -2.641 5.769 -3.405) 7.201 1.199 ( 2.641 5.769 3.405) 7.201 1.280 ( 1.731 3.630 -2.444) 4.706 1.280 ( -1.731 3.630 2.444) 4.705 1.393 ( 1.601 -2.423 -2.781) 4.021 1.393 ( -1.601 -2.423 2.781) 4.021 1.600 ( 0.699 -2.100 -2.864) 3.619 1.600 ( -0.699 -2.100 2.864) 3.619 1.729 ( 1.886 1.718 -2.594) 3.638 1.729 ( -1.886 1.718 2.594) 3.638 2.030 ( 0.385 -1.944 -2.138) 2.915 2.030 ( -0.385 -1.944 2.138) 2.915 2.290 ( -1.706 -1.507 -0.114) 2.279 2.290 ( 1.706 -1.507 0.114) 2.279 2.476 ( -0.396 1.350 -0.613) 1.534 2.476 ( 0.396 1.350 0.613) 1.534 2.579 ( -1.960 -4.782 -3.207) 6.083 2.579 ( 1.960 -4.782 3.207) 6.083 3.470 ( 0.128 8.550 -0.578) 8.571 3.470 ( -0.128 8.550 0.578) 8.571 3.648 ( -1.298 3.060 -1.982) 3.870 3.648 ( 1.298 3.060 1.982) 3.870 3.990 ( 1.099 2.179 -2.276) 3.337 3.990 ( -1.099 2.179 2.276) 3.337 4.209 ( 0.284 -5.632 -2.776) 6.285 4.209 ( -0.284 -5.632 2.776) 6.285 5.848 ( -0.703 -0.652 -1.138) 1.488 5.848 ( 0.703 -0.652 1.138) 1.488 5.895 ( -0.662 -0.438 -0.314) 0.854 5.895 ( 0.662 -0.438 0.314) 0.854 6.405 ( -0.348 0.543 -0.765) 1.001 6.405 ( 0.348 0.543 0.765) 1.001 6.540 ( 1.038 -0.436 -0.965) 1.483 6.540 ( -1.038 -0.436 0.965) 1.483 ======================= Grid point 261 (132/136) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.000 -0.000 0.000) 0.000 0.907 ( -0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 -0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.232 ( -0.000 -0.000 0.000) 0.000 1.232 ( -0.000 -0.000 0.000) 0.000 1.525 ( -0.000 0.000 0.000) 0.000 1.525 ( -0.000 0.000 0.000) 0.000 1.582 ( -0.000 0.000 -0.000) 0.000 1.582 ( -0.000 0.000 0.000) 0.000 1.774 ( -0.000 -0.000 0.000) 0.000 1.774 ( -0.000 0.000 0.000) 0.000 2.083 ( -0.000 0.000 0.000) 0.000 2.083 ( -0.000 0.000 0.000) 0.000 2.377 ( -0.000 0.000 0.000) 0.000 2.377 ( -0.000 0.000 0.000) 0.000 2.475 ( -0.000 -0.000 0.000) 0.000 2.475 ( -0.000 0.000 0.000) 0.000 2.583 ( -0.000 -0.000 -0.000) 0.000 2.583 ( -0.000 0.000 -0.000) 0.000 3.431 ( -0.000 -0.000 0.000) 0.000 3.431 ( -0.000 0.000 0.000) 0.000 3.493 ( 0.000 -0.000 0.000) 0.000 3.493 ( -0.000 0.000 0.000) 0.000 4.075 ( -0.000 -0.000 -0.000) 0.000 4.075 ( -0.000 0.000 -0.000) 0.000 4.079 ( -0.000 -0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 5.915 ( -0.000 -0.000 0.000) 0.000 5.915 ( -0.000 0.000 0.000) 0.000 6.382 ( -0.000 0.000 0.000) 0.000 6.382 ( -0.000 0.000 0.000) 0.000 6.531 ( -0.000 0.000 0.000) 0.000 6.531 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 265 (133/136) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.060 -6.282 3.008) 8.609 0.966 ( 5.060 6.282 3.008) 8.609 1.116 ( -0.489 -1.261 1.941) 2.366 1.116 ( -0.489 1.261 1.941) 2.366 1.240 ( 1.293 -2.601 -1.713) 3.372 1.240 ( 1.293 2.601 -1.713) 3.372 1.523 ( -0.320 -0.998 0.074) 1.050 1.523 ( -0.320 0.998 0.074) 1.050 1.558 ( -2.680 -2.137 0.354) 3.446 1.558 ( -2.680 2.137 0.354) 3.446 1.765 ( -0.827 -2.307 0.800) 2.578 1.765 ( -0.827 2.307 0.800) 2.578 2.077 ( -0.474 -1.024 -0.903) 1.445 2.077 ( -0.474 1.024 -0.903) 1.445 2.366 ( -1.118 -0.753 0.087) 1.350 2.366 ( -1.118 0.753 0.087) 1.350 2.481 ( 0.394 -0.662 0.770) 1.089 2.481 ( 0.394 0.662 0.770) 1.089 2.572 ( -0.531 -5.049 -2.583) 5.696 2.572 ( -0.531 5.049 -2.583) 5.696 3.459 ( 1.613 -3.220 3.291) 4.879 3.459 ( 1.613 3.220 3.291) 4.879 3.514 ( 2.035 -2.075 1.485) 3.264 3.514 ( 2.035 2.075 1.485) 3.264 4.059 ( -0.613 -1.957 -0.586) 2.133 4.059 ( -0.613 1.957 -0.586) 2.133 4.095 ( 0.636 -1.357 0.584) 1.608 4.095 ( 0.636 1.357 0.584) 1.608 5.842 ( -0.074 -0.781 -0.349) 0.858 5.842 ( -0.074 0.781 -0.349) 0.858 5.914 ( -0.091 -0.728 -0.207) 0.762 5.914 ( -0.091 0.728 -0.207) 0.762 6.385 ( 0.467 -0.616 -0.216) 0.802 6.385 ( 0.467 0.616 -0.216) 0.802 6.532 ( -0.033 -0.683 0.228) 0.721 6.532 ( -0.033 0.683 0.228) 0.721 ======================= Grid point 267 (134/136) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.999 -5.730 3.125) 7.655 1.091 ( 3.999 5.730 3.125) 7.655 1.135 ( 2.970 -2.186 3.049) 4.785 1.135 ( 2.970 2.186 3.049) 4.785 1.257 ( 1.776 -2.975 -2.348) 4.186 1.257 ( 1.776 2.975 -2.348) 4.186 1.472 ( -4.886 -3.025 0.222) 5.751 1.472 ( -4.886 3.025 0.222) 5.751 1.538 ( 0.532 -3.007 0.154) 3.058 1.538 ( 0.532 3.007 0.154) 3.058 1.759 ( -0.689 -3.073 1.890) 3.673 1.759 ( -0.689 3.073 1.890) 3.673 2.057 ( -1.014 -1.368 -1.503) 2.272 2.057 ( -1.014 1.368 -1.503) 2.272 2.337 ( -2.067 -1.636 -0.177) 2.641 2.337 ( -2.067 1.636 -0.177) 2.641 2.494 ( 0.414 -0.966 1.058) 1.491 2.494 ( 0.414 0.966 1.058) 1.491 2.541 ( -0.856 -6.439 -3.017) 7.162 2.541 ( -0.856 6.439 -3.017) 7.162 3.506 ( 1.498 -1.944 2.931) 3.823 3.506 ( 1.498 1.944 2.931) 3.823 3.584 ( 3.620 -4.369 3.392) 6.610 3.584 ( 3.620 4.369 3.392) 6.610 4.050 ( -0.035 -3.171 -0.393) 3.195 4.050 ( -0.035 3.171 -0.393) 3.195 4.105 ( 0.032 -1.930 0.456) 1.983 4.105 ( 0.032 1.930 0.456) 1.983 5.839 ( 0.017 -1.195 -0.493) 1.293 5.839 ( 0.017 1.195 -0.493) 1.293 5.909 ( -0.377 -1.031 -0.386) 1.163 5.909 ( -0.377 1.031 -0.386) 1.163 6.395 ( 0.721 -0.954 -0.346) 1.245 6.395 ( 0.721 0.954 -0.346) 1.245 6.533 ( -0.038 -1.057 0.379) 1.124 6.533 ( -0.038 1.057 0.379) 1.124 ======================= Grid point 269 (135/136) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.088 -1.338 1.393) 1.933 1.121 ( 0.088 1.338 1.393) 1.933 1.235 ( 3.671 -5.785 -1.003) 6.925 1.235 ( 3.671 5.785 -1.003) 6.925 1.297 ( 3.112 -1.848 1.401) 3.881 1.297 ( 3.112 1.848 1.401) 3.881 1.389 ( -3.688 -2.162 1.105) 4.416 1.389 ( -3.688 2.162 1.105) 4.416 1.555 ( 1.028 -2.275 -0.183) 2.503 1.555 ( 1.028 2.275 -0.183) 2.503 1.756 ( -0.629 -2.156 1.652) 2.788 1.756 ( -0.629 2.156 1.652) 2.788 2.025 ( -1.408 -0.965 -1.368) 2.188 2.025 ( -1.408 0.965 -1.368) 2.188 2.294 ( -1.938 -1.795 -0.561) 2.700 2.294 ( -1.938 1.795 -0.561) 2.700 2.502 ( -0.151 -0.656 0.130) 0.685 2.502 ( -0.151 0.656 0.130) 0.685 2.520 ( -0.010 -3.713 -0.937) 3.829 2.520 ( -0.010 3.713 -0.937) 3.829 3.544 ( 1.111 -1.847 1.741) 2.771 3.544 ( 1.111 1.847 1.741) 2.771 3.659 ( 2.285 -3.023 2.377) 4.473 3.659 ( 2.285 3.023 2.377) 4.473 4.056 ( 0.698 -4.506 0.096) 4.561 4.056 ( 0.698 4.506 0.096) 4.561 4.101 ( -0.565 -3.291 0.106) 3.341 4.101 ( -0.565 3.291 0.106) 3.341 5.839 ( 0.163 -0.978 -0.341) 1.048 5.839 ( 0.163 0.978 -0.341) 1.048 5.897 ( -0.523 -0.778 -0.353) 1.002 5.897 ( -0.523 0.778 -0.353) 1.002 6.406 ( 0.561 -0.745 -0.279) 0.973 6.406 ( 0.561 0.745 -0.279) 0.973 6.534 ( -0.024 -0.823 0.314) 0.881 6.534 ( -0.024 0.823 0.314) 0.881 ======================= Grid point 271 (136/136) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.09e-04 3.09e-04 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 -0.000 -0.000) 0.000 1.124 ( -0.000 0.000 0.000) 0.000 1.266 ( 0.000 -0.000 -0.000) 0.000 1.266 ( -0.000 0.000 0.000) 0.000 1.320 ( -0.000 -0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.374 ( -0.000 -0.000 0.000) 0.000 1.374 ( -0.000 0.000 0.000) 0.000 1.565 ( 0.000 -0.000 -0.000) 0.000 1.565 ( -0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 -0.000) 0.000 1.755 ( -0.000 0.000 0.000) 0.000 2.004 ( -0.000 -0.000 -0.000) 0.000 2.004 ( -0.000 0.000 0.000) 0.000 2.273 ( -0.000 -0.000 -0.000) 0.000 2.273 ( -0.000 0.000 -0.000) 0.000 2.498 ( -0.000 -0.000 0.000) 0.000 2.498 ( -0.000 0.000 0.000) 0.000 2.521 ( -0.000 -0.000 -0.000) 0.000 2.521 ( -0.000 0.000 -0.000) 0.000 3.560 ( -0.000 -0.000 0.000) 0.000 3.560 ( -0.000 0.000 0.000) 0.000 3.686 ( -0.000 0.000 -0.000) 0.000 3.686 ( -0.000 0.000 0.000) 0.000 4.068 ( -0.000 -0.000 -0.000) 0.000 4.068 ( -0.000 0.000 0.000) 0.000 4.091 ( -0.000 -0.000 0.000) 0.000 4.091 ( -0.000 -0.000 0.000) 0.000 5.840 ( -0.000 0.000 0.000) 0.000 5.840 ( -0.000 0.000 0.000) 0.000 5.890 ( -0.000 -0.000 0.000) 0.000 5.890 ( -0.000 0.000 0.000) 0.000 6.411 ( -0.000 -0.000 0.000) 0.000 6.411 ( -0.000 0.000 0.000) 0.000 6.535 ( -0.000 -0.000 -0.000) 0.000 6.535 ( -0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 36.448 38.154 50.885 0.000 3.197 0.000 3/13824 20.0 12.012 13.352 17.120 0.000 -0.105 0.000 3/13824 30.0 6.816 7.722 9.714 0.000 -0.249 0.000 3/13824 40.0 4.760 5.492 6.810 0.000 -0.202 0.000 3/13824 50.0 3.675 4.308 5.280 0.000 -0.149 0.000 3/13824 60.0 3.004 3.566 4.330 0.000 -0.110 0.000 3/13824 70.0 2.545 3.050 3.679 0.000 -0.083 0.000 3/13824 80.0 2.211 2.669 3.202 0.000 -0.064 0.000 3/13824 90.0 1.955 2.374 2.837 0.000 -0.052 0.000 3/13824 100.0 1.754 2.138 2.548 0.000 -0.042 0.000 3/13824 110.0 1.591 1.946 2.312 0.000 -0.036 0.000 3/13824 120.0 1.455 1.785 2.118 0.000 -0.031 0.000 3/13824 130.0 1.342 1.650 1.953 0.000 -0.027 0.000 3/13824 140.0 1.245 1.533 1.813 0.000 -0.023 0.000 3/13824 150.0 1.161 1.432 1.691 0.000 -0.021 0.000 3/13824 160.0 1.088 1.343 1.585 0.000 -0.019 0.000 3/13824 170.0 1.023 1.265 1.492 0.000 -0.017 0.000 3/13824 180.0 0.966 1.195 1.409 0.000 -0.016 0.000 3/13824 190.0 0.915 1.133 1.335 0.000 -0.015 0.000 3/13824 200.0 0.869 1.077 1.268 0.000 -0.013 0.000 3/13824 210.0 0.827 1.026 1.207 0.000 -0.013 0.000 3/13824 220.0 0.790 0.980 1.153 0.000 -0.012 0.000 3/13824 230.0 0.755 0.938 1.102 0.000 -0.011 0.000 3/13824 240.0 0.724 0.899 1.057 0.000 -0.010 0.000 3/13824 250.0 0.695 0.863 1.014 0.000 -0.010 0.000 3/13824 260.0 0.668 0.830 0.975 0.000 -0.009 0.000 3/13824 270.0 0.643 0.800 0.939 0.000 -0.009 0.000 3/13824 280.0 0.620 0.771 0.906 0.000 -0.009 0.000 3/13824 290.0 0.599 0.745 0.875 0.000 -0.008 0.000 3/13824 300.0 0.579 0.720 0.846 0.000 -0.008 0.000 3/13824 310.0 0.560 0.697 0.818 0.000 -0.008 0.000 3/13824 320.0 0.543 0.676 0.793 0.000 -0.007 0.000 3/13824 330.0 0.526 0.655 0.769 0.000 -0.007 0.000 3/13824 340.0 0.511 0.636 0.746 0.000 -0.007 0.000 3/13824 350.0 0.496 0.618 0.725 0.000 -0.007 0.000 3/13824 360.0 0.482 0.601 0.705 0.000 -0.006 0.000 3/13824 370.0 0.469 0.585 0.686 0.000 -0.006 0.000 3/13824 380.0 0.457 0.570 0.668 0.000 -0.006 0.000 3/13824 390.0 0.445 0.555 0.651 0.000 -0.006 0.000 3/13824 400.0 0.434 0.541 0.635 0.000 -0.006 0.000 3/13824 410.0 0.424 0.528 0.619 0.000 -0.005 0.000 3/13824 420.0 0.414 0.516 0.604 0.000 -0.005 0.000 3/13824 430.0 0.404 0.504 0.590 0.000 -0.005 0.000 3/13824 440.0 0.395 0.492 0.577 0.000 -0.005 0.000 3/13824 450.0 0.386 0.482 0.564 0.000 -0.005 0.000 3/13824 460.0 0.378 0.471 0.552 0.000 -0.005 0.000 3/13824 470.0 0.370 0.461 0.540 0.000 -0.005 0.000 3/13824 480.0 0.362 0.452 0.529 0.000 -0.005 0.000 3/13824 490.0 0.355 0.442 0.518 0.000 -0.004 0.000 3/13824 500.0 0.347 0.434 0.508 0.000 -0.004 0.000 3/13824 510.0 0.341 0.425 0.498 0.000 -0.004 0.000 3/13824 520.0 0.334 0.417 0.488 0.000 -0.004 0.000 3/13824 530.0 0.328 0.409 0.479 0.000 -0.004 0.000 3/13824 540.0 0.322 0.402 0.470 0.000 -0.004 0.000 3/13824 550.0 0.316 0.394 0.462 0.000 -0.004 0.000 3/13824 560.0 0.310 0.387 0.454 0.000 -0.004 0.000 3/13824 570.0 0.305 0.381 0.446 0.000 -0.004 0.000 3/13824 580.0 0.300 0.374 0.438 0.000 -0.004 0.000 3/13824 590.0 0.295 0.368 0.431 0.000 -0.004 0.000 3/13824 600.0 0.290 0.362 0.424 0.000 -0.004 0.000 3/13824 610.0 0.285 0.356 0.417 0.000 -0.003 0.000 3/13824 620.0 0.280 0.350 0.410 0.000 -0.003 0.000 3/13824 630.0 0.276 0.345 0.403 0.000 -0.003 0.000 3/13824 640.0 0.272 0.339 0.397 0.000 -0.003 0.000 3/13824 650.0 0.267 0.334 0.391 0.000 -0.003 0.000 3/13824 660.0 0.263 0.329 0.385 0.000 -0.003 0.000 3/13824 670.0 0.259 0.324 0.379 0.000 -0.003 0.000 3/13824 680.0 0.256 0.319 0.374 0.000 -0.003 0.000 3/13824 690.0 0.252 0.315 0.368 0.000 -0.003 0.000 3/13824 700.0 0.248 0.310 0.363 0.000 -0.003 0.000 3/13824 710.0 0.245 0.306 0.358 0.000 -0.003 0.000 3/13824 720.0 0.241 0.302 0.353 0.000 -0.003 0.000 3/13824 730.0 0.238 0.298 0.348 0.000 -0.003 0.000 3/13824 740.0 0.235 0.294 0.344 0.000 -0.003 0.000 3/13824 750.0 0.232 0.290 0.339 0.000 -0.003 0.000 3/13824 760.0 0.229 0.286 0.335 0.000 -0.003 0.000 3/13824 770.0 0.226 0.282 0.330 0.000 -0.003 0.000 3/13824 780.0 0.223 0.279 0.326 0.000 -0.003 0.000 3/13824 790.0 0.220 0.275 0.322 0.000 -0.003 0.000 3/13824 800.0 0.217 0.272 0.318 0.000 -0.003 0.000 3/13824 810.0 0.215 0.268 0.314 0.000 -0.003 0.000 3/13824 820.0 0.212 0.265 0.310 0.000 -0.003 0.000 3/13824 830.0 0.210 0.262 0.306 0.000 -0.002 0.000 3/13824 840.0 0.207 0.259 0.303 0.000 -0.002 0.000 3/13824 850.0 0.205 0.256 0.299 0.000 -0.002 0.000 3/13824 860.0 0.202 0.253 0.296 0.000 -0.002 0.000 3/13824 870.0 0.200 0.250 0.292 0.000 -0.002 0.000 3/13824 880.0 0.198 0.247 0.289 0.000 -0.002 0.000 3/13824 890.0 0.195 0.244 0.286 0.000 -0.002 0.000 3/13824 900.0 0.193 0.242 0.283 0.000 -0.002 0.000 3/13824 910.0 0.191 0.239 0.280 0.000 -0.002 0.000 3/13824 920.0 0.189 0.236 0.277 0.000 -0.002 0.000 3/13824 930.0 0.187 0.234 0.274 0.000 -0.002 0.000 3/13824 940.0 0.185 0.231 0.271 0.000 -0.002 0.000 3/13824 950.0 0.183 0.229 0.268 0.000 -0.002 0.000 3/13824 960.0 0.181 0.227 0.265 0.000 -0.002 0.000 3/13824 970.0 0.179 0.224 0.262 0.000 -0.002 0.000 3/13824 980.0 0.178 0.222 0.260 0.000 -0.002 0.000 3/13824 990.0 0.176 0.220 0.257 0.000 -0.002 0.000 3/13824 1000.0 0.174 0.218 0.254 0.000 -0.002 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m868.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:33:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|