# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f79c5a30-4962-4d28-a06d-ad0b4756bdb8/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for BaYF5 / C2/c (15) / materials id 752675](https://mdr.nims.go.jp/datasets/29ff1734-6c8c-4d0e-8158-6c8037709461) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 22:52:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 2.203768545017152 -8.053028774999998 0.000000000000000 b 2.203768545017152 8.053028774999998 0.000000000000000 c -0.276954013872453 0.000000000000000 5.836027642771407Atomic positions (fractional): *1 Ba 0.32741522154927 0.67258477845073 0.75000000000000 137.327 2 Ba 0.67258477845073 0.32741522154927 0.25000000000000 137.327 *3 Y 0.07365743614839 0.92634256385161 0.75000000000000 88.906 4 Y 0.92634256385161 0.07365743614839 0.25000000000000 88.906 *5 F 0.19148058571457 0.26086404221872 0.59345056074531 18.998 6 F 0.26086404221872 0.19148058571457 0.09345056074531 18.998 *7 F 0.82828370491396 0.19572104847108 0.01171689077020 18.998 *8 F 0.61745318959541 0.38254681040459 0.75000000000000 18.998 9 F 0.80427895152892 0.17171629508604 0.48828310922981 18.998 10 F 0.19572104847108 0.82828370491396 0.51171689077019 18.998 11 F 0.38254681040459 0.61745318959541 0.25000000000000 18.998 12 F 0.17171629508604 0.80427895152892 0.98828310922981 18.998 13 F 0.73913595778128 0.80851941428543 0.90654943925469 18.998 14 F 0.80851941428543 0.73913595778128 0.40654943925469 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.407537090034305 0.000000000000000 0.000000000000000 b 0.000000000000000 16.106057549999996 0.000000000000000 c -0.276954013872453 0.000000000000000 5.836027642771407Atomic positions (fractional): *1 Ba 0.00000000000000 0.67258477845073 0.75000000000000 137.327 > 1 2 Ba 0.50000000000000 0.82741522154927 0.25000000000000 137.327 > 2 3 Ba 0.50000000000000 0.17258477845073 0.75000000000000 137.327 > 1 4 Ba 0.00000000000000 0.32741522154927 0.25000000000000 137.327 > 2 *5 Y 0.00000000000000 0.92634256385161 0.75000000000000 88.906 > 3 6 Y 0.50000000000000 0.57365743614839 0.25000000000000 88.906 > 4 7 Y 0.50000000000000 0.42634256385161 0.75000000000000 88.906 > 3 8 Y 0.00000000000000 0.07365743614839 0.25000000000000 88.906 > 4 *9 F 0.72617231396664 0.53469172825208 0.59345056074531 18.998 > 5 10 F 0.22617231396664 0.96530827174792 0.09345056074531 18.998 > 6 *11 F 0.51200237669252 0.68371867177856 0.01171689077020 18.998 > 7 *12 F 0.50000000000000 0.88254681040459 0.75000000000000 18.998 > 8 13 F 0.48799762330748 0.68371867177856 0.48828310922981 18.998 > 9 14 F 0.01200237669252 0.81628132822144 0.51171689077019 18.998 > 10 15 F 0.00000000000000 0.61745318959541 0.25000000000000 18.998 > 11 16 F 0.98799762330748 0.81628132822144 0.98828310922981 18.998 > 12 17 F 0.27382768603336 0.53469172825208 0.90654943925469 18.998 > 13 18 F 0.77382768603336 0.96530827174792 0.40654943925469 18.998 > 14 19 F 0.22617231396664 0.03469172825207 0.59345056074531 18.998 > 5 20 F 0.72617231396664 0.46530827174792 0.09345056074531 18.998 > 6 21 F 0.01200237669252 0.18371867177856 0.01171689077020 18.998 > 7 22 F 0.00000000000000 0.38254681040459 0.75000000000000 18.998 > 8 23 F 0.98799762330748 0.18371867177856 0.48828310922981 18.998 > 9 24 F 0.51200237669252 0.31628132822144 0.51171689077019 18.998 > 10 25 F 0.50000000000000 0.11745318959541 0.25000000000000 18.998 > 11 26 F 0.48799762330748 0.31628132822144 0.98828310922981 18.998 > 12 27 F 0.77382768603336 0.03469172825207 0.90654943925469 18.998 > 13 28 F 0.27382768603336 0.46530827174792 0.40654943925469 18.998 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 8.815074180068610 0.000000000000000 0.000000000000000 b 0.000000000000000 16.106057549999996 0.000000000000000 c -0.553908027744906 0.000000000000000 11.672055285542815Atomic positions (fractional): *1 Ba 0.00000000000000 0.67258477845073 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67258477845073 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67258477845073 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67258477845073 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82741522154927 0.12500000000000 137.327 > 2 6 Ba 0.75000000000000 0.82741522154927 0.12500000000000 137.327 > 2 7 Ba 0.25000000000000 0.82741522154927 0.62500000000000 137.327 > 2 8 Ba 0.75000000000000 0.82741522154927 0.62500000000000 137.327 > 2 9 Ba 0.25000000000000 0.17258477845073 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17258477845073 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17258477845073 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17258477845073 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32741522154927 0.12500000000000 137.327 > 2 14 Ba 0.50000000000000 0.32741522154927 0.12500000000000 137.327 > 2 15 Ba 0.00000000000000 0.32741522154927 0.62500000000000 137.327 > 2 16 Ba 0.50000000000000 0.32741522154927 0.62500000000000 137.327 > 2 *17 Y 0.00000000000000 0.92634256385161 0.37500000000000 88.906 > 3 18 Y 0.50000000000000 0.92634256385161 0.37500000000000 88.906 > 3 19 Y 0.00000000000000 0.92634256385161 0.87500000000000 88.906 > 3 20 Y 0.50000000000000 0.92634256385161 0.87500000000000 88.906 > 3 21 Y 0.25000000000000 0.57365743614839 0.12500000000000 88.906 > 4 22 Y 0.75000000000000 0.57365743614839 0.12500000000000 88.906 > 4 23 Y 0.25000000000000 0.57365743614839 0.62500000000000 88.906 > 4 24 Y 0.75000000000000 0.57365743614839 0.62500000000000 88.906 > 4 25 Y 0.25000000000000 0.42634256385161 0.37500000000000 88.906 > 3 26 Y 0.75000000000000 0.42634256385161 0.37500000000000 88.906 > 3 27 Y 0.25000000000000 0.42634256385161 0.87500000000000 88.906 > 3 28 Y 0.75000000000000 0.42634256385161 0.87500000000000 88.906 > 3 29 Y 0.00000000000000 0.07365743614839 0.12500000000000 88.906 > 4 30 Y 0.50000000000000 0.07365743614839 0.12500000000000 88.906 > 4 31 Y 0.00000000000000 0.07365743614839 0.62500000000000 88.906 > 4 32 Y 0.50000000000000 0.07365743614839 0.62500000000000 88.906 > 4 *33 F 0.36308615698332 0.53469172825208 0.29672528037266 18.998 > 5 34 F 0.86308615698332 0.53469172825208 0.29672528037266 18.998 > 5 35 F 0.36308615698332 0.53469172825208 0.79672528037266 18.998 > 5 36 F 0.86308615698332 0.53469172825208 0.79672528037266 18.998 > 5 37 F 0.11308615698332 0.96530827174792 0.04672528037266 18.998 > 6 38 F 0.61308615698332 0.96530827174792 0.04672528037266 18.998 > 6 39 F 0.11308615698332 0.96530827174792 0.54672528037266 18.998 > 6 40 F 0.61308615698332 0.96530827174792 0.54672528037266 18.998 > 6 *41 F 0.25600118834626 0.68371867177856 0.00585844538510 18.998 > 7 42 F 0.75600118834626 0.68371867177856 0.00585844538510 18.998 > 7 43 F 0.25600118834626 0.68371867177856 0.50585844538510 18.998 > 7 44 F 0.75600118834626 0.68371867177856 0.50585844538510 18.998 > 7 *45 F 0.25000000000000 0.88254681040459 0.37500000000000 18.998 > 8 46 F 0.75000000000000 0.88254681040459 0.37500000000000 18.998 > 8 47 F 0.25000000000000 0.88254681040459 0.87500000000000 18.998 > 8 48 F 0.75000000000000 0.88254681040459 0.87500000000000 18.998 > 8 49 F 0.24399881165374 0.68371867177856 0.24414155461490 18.998 > 9 50 F 0.74399881165374 0.68371867177856 0.24414155461490 18.998 > 9 51 F 0.24399881165374 0.68371867177856 0.74414155461490 18.998 > 9 52 F 0.74399881165374 0.68371867177856 0.74414155461490 18.998 > 9 53 F 0.00600118834626 0.81628132822144 0.25585844538510 18.998 > 10 54 F 0.50600118834626 0.81628132822144 0.25585844538510 18.998 > 10 55 F 0.00600118834626 0.81628132822144 0.75585844538510 18.998 > 10 56 F 0.50600118834626 0.81628132822144 0.75585844538510 18.998 > 10 57 F 0.00000000000000 0.61745318959541 0.12500000000000 18.998 > 11 58 F 0.50000000000000 0.61745318959541 0.12500000000000 18.998 > 11 59 F 0.00000000000000 0.61745318959541 0.62500000000000 18.998 > 11 60 F 0.50000000000000 0.61745318959541 0.62500000000000 18.998 > 11 61 F 0.49399881165374 0.81628132822144 0.49414155461490 18.998 > 12 62 F 0.99399881165374 0.81628132822144 0.49414155461490 18.998 > 12 63 F 0.49399881165374 0.81628132822144 0.99414155461490 18.998 > 12 64 F 0.99399881165374 0.81628132822144 0.99414155461490 18.998 > 12 65 F 0.13691384301668 0.53469172825208 0.45327471962734 18.998 > 13 66 F 0.63691384301668 0.53469172825208 0.45327471962734 18.998 > 13 67 F 0.13691384301668 0.53469172825208 0.95327471962734 18.998 > 13 68 F 0.63691384301668 0.53469172825208 0.95327471962734 18.998 > 13 69 F 0.38691384301668 0.96530827174792 0.20327471962734 18.998 > 14 70 F 0.88691384301668 0.96530827174792 0.20327471962734 18.998 > 14 71 F 0.38691384301668 0.96530827174792 0.70327471962734 18.998 > 14 72 F 0.88691384301668 0.96530827174792 0.70327471962734 18.998 > 14 73 F 0.11308615698332 0.03469172825207 0.29672528037266 18.998 > 5 74 F 0.61308615698332 0.03469172825207 0.29672528037266 18.998 > 5 75 F 0.11308615698332 0.03469172825207 0.79672528037266 18.998 > 5 76 F 0.61308615698332 0.03469172825207 0.79672528037266 18.998 > 5 77 F 0.36308615698332 0.46530827174792 0.04672528037266 18.998 > 6 78 F 0.86308615698332 0.46530827174792 0.04672528037266 18.998 > 6 79 F 0.36308615698332 0.46530827174792 0.54672528037266 18.998 > 6 80 F 0.86308615698332 0.46530827174792 0.54672528037266 18.998 > 6 81 F 0.00600118834626 0.18371867177856 0.00585844538510 18.998 > 7 82 F 0.50600118834626 0.18371867177856 0.00585844538510 18.998 > 7 83 F 0.00600118834626 0.18371867177856 0.50585844538510 18.998 > 7 84 F 0.50600118834626 0.18371867177856 0.50585844538510 18.998 > 7 85 F 0.00000000000000 0.38254681040459 0.37500000000000 18.998 > 8 86 F 0.50000000000000 0.38254681040459 0.37500000000000 18.998 > 8 87 F 0.00000000000000 0.38254681040459 0.87500000000000 18.998 > 8 88 F 0.50000000000000 0.38254681040459 0.87500000000000 18.998 > 8 89 F 0.49399881165374 0.18371867177856 0.24414155461490 18.998 > 9 90 F 0.99399881165374 0.18371867177856 0.24414155461490 18.998 > 9 91 F 0.49399881165374 0.18371867177856 0.74414155461490 18.998 > 9 92 F 0.99399881165374 0.18371867177856 0.74414155461490 18.998 > 9 93 F 0.25600118834626 0.31628132822144 0.25585844538510 18.998 > 10 94 F 0.75600118834626 0.31628132822144 0.25585844538510 18.998 > 10 95 F 0.25600118834626 0.31628132822144 0.75585844538510 18.998 > 10 96 F 0.75600118834626 0.31628132822144 0.75585844538510 18.998 > 10 97 F 0.25000000000000 0.11745318959541 0.12500000000000 18.998 > 11 98 F 0.75000000000000 0.11745318959541 0.12500000000000 18.998 > 11 99 F 0.25000000000000 0.11745318959541 0.62500000000000 18.998 > 11 100 F 0.75000000000000 0.11745318959541 0.62500000000000 18.998 > 11 101 F 0.24399881165374 0.31628132822144 0.49414155461490 18.998 > 12 102 F 0.74399881165374 0.31628132822144 0.49414155461490 18.998 > 12 103 F 0.24399881165374 0.31628132822144 0.99414155461490 18.998 > 12 104 F 0.74399881165374 0.31628132822144 0.99414155461490 18.998 > 12 105 F 0.38691384301668 0.03469172825207 0.45327471962734 18.998 > 13 106 F 0.88691384301668 0.03469172825207 0.45327471962734 18.998 > 13 107 F 0.38691384301668 0.03469172825207 0.95327471962734 18.998 > 13 108 F 0.88691384301668 0.03469172825207 0.95327471962734 18.998 > 13 109 F 0.13691384301668 0.46530827174792 0.20327471962734 18.998 > 14 110 F 0.63691384301668 0.46530827174792 0.20327471962734 18.998 > 14 111 F 0.13691384301668 0.46530827174792 0.70327471962734 18.998 > 14 112 F 0.63691384301668 0.46530827174792 0.70327471962734 18.998 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5551465 0.0000000 0.0332677 0.0000000 2.5972549 0.0000000 0.0332674 0.0000000 2.5730424-------------------------- Born effective charges -------------------------- 1 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 2 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 3 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 4 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 5 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572 6 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 7 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 8 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 9 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 10 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 11 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 12 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 13 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 14 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572----------------------------------------------------------------------------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: 336/336Permutation basis: 9168/9168Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1878Number of blocks in projector: 1878Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 410Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (1878, 1846), data: False|-- (240, 235), data: True|-- (240, 235), data: True|-- (240, 235), data: True|-- (374, 370), data: True|-- (374, 370), data: True|-- (410, 401), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 3.024Solver_block: 200 / 480 - Time: 3.057Solver_block: 300 / 480 - Time: 3.049Solver_block: 400 / 480 - Time: 3.071Solver_block: 480 / 480 - Time: 2.485Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.740--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336Permutation basis: 9168/9168Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1878Number of blocks in projector: 1878Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 410Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 374Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (1878, 1846), data: False|-- (240, 235), data: True|-- (240, 235), data: True|-- (240, 235), data: True|-- (374, 370), data: True|-- (374, 370), data: True|-- (410, 401), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 22:53:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:53:09]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.203768545017152 -8.053028774999998 0.000000000000000 b 2.203768545017152 8.053028774999998 0.000000000000000 c -0.276954013872453 0.000000000000000 5.836027642771407Atomic positions (fractional): 1 Ba 0.32741522154927 0.67258477845073 0.75000000000000 137.327 2 Ba 0.67258477845073 0.32741522154927 0.25000000000000 137.327 3 Y 0.07365743614839 0.92634256385161 0.75000000000000 88.906 4 Y 0.92634256385161 0.07365743614839 0.25000000000000 88.906 5 F 0.19148058571457 0.26086404221872 0.59345056074531 18.998 6 F 0.26086404221872 0.19148058571457 0.09345056074531 18.998 7 F 0.82828370491396 0.19572104847108 0.01171689077020 18.998 8 F 0.61745318959541 0.38254681040459 0.75000000000000 18.998 9 F 0.80427895152892 0.17171629508604 0.48828310922981 18.998 10 F 0.19572104847108 0.82828370491396 0.51171689077019 18.998 11 F 0.38254681040459 0.61745318959541 0.25000000000000 18.998 12 F 0.17171629508604 0.80427895152892 0.98828310922981 18.998 13 F 0.73913595778128 0.80851941428543 0.90654943925469 18.998 14 F 0.80851941428543 0.73913595778128 0.40654943925469 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 8.815074180068610 0.000000000000000 0.000000000000000 b 0.000000000000000 16.106057549999996 0.000000000000000 c -0.553908027744906 0.000000000000000 11.672055285542815Atomic positions (fractional): 1 Ba 0.00000000000000 0.67258477845073 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67258477845073 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67258477845073 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67258477845073 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82741522154927 0.12500000000000 137.327 > 5 6 Ba 0.75000000000000 0.82741522154927 0.12500000000000 137.327 > 5 7 Ba 0.25000000000000 0.82741522154927 0.62500000000000 137.327 > 5 8 Ba 0.75000000000000 0.82741522154927 0.62500000000000 137.327 > 5 9 Ba 0.25000000000000 0.17258477845073 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17258477845073 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17258477845073 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17258477845073 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32741522154927 0.12500000000000 137.327 > 5 14 Ba 0.50000000000000 0.32741522154927 0.12500000000000 137.327 > 5 15 Ba 0.00000000000000 0.32741522154927 0.62500000000000 137.327 > 5 16 Ba 0.50000000000000 0.32741522154927 0.62500000000000 137.327 > 5 17 Y 0.00000000000000 0.92634256385161 0.37500000000000 88.906 > 17 18 Y 0.50000000000000 0.92634256385161 0.37500000000000 88.906 > 17 19 Y 0.00000000000000 0.92634256385161 0.87500000000000 88.906 > 17 20 Y 0.50000000000000 0.92634256385161 0.87500000000000 88.906 > 17 21 Y 0.25000000000000 0.57365743614839 0.12500000000000 88.906 > 21 22 Y 0.75000000000000 0.57365743614839 0.12500000000000 88.906 > 21 23 Y 0.25000000000000 0.57365743614839 0.62500000000000 88.906 > 21 24 Y 0.75000000000000 0.57365743614839 0.62500000000000 88.906 > 21 25 Y 0.25000000000000 0.42634256385161 0.37500000000000 88.906 > 17 26 Y 0.75000000000000 0.42634256385161 0.37500000000000 88.906 > 17 27 Y 0.25000000000000 0.42634256385161 0.87500000000000 88.906 > 17 28 Y 0.75000000000000 0.42634256385161 0.87500000000000 88.906 > 17 29 Y 0.00000000000000 0.07365743614839 0.12500000000000 88.906 > 21 30 Y 0.50000000000000 0.07365743614839 0.12500000000000 88.906 > 21 31 Y 0.00000000000000 0.07365743614839 0.62500000000000 88.906 > 21 32 Y 0.50000000000000 0.07365743614839 0.62500000000000 88.906 > 21 33 F 0.36308615698332 0.53469172825208 0.29672528037266 18.998 > 33 34 F 0.86308615698332 0.53469172825208 0.29672528037266 18.998 > 33 35 F 0.36308615698332 0.53469172825208 0.79672528037266 18.998 > 33 36 F 0.86308615698332 0.53469172825208 0.79672528037266 18.998 > 33 37 F 0.11308615698332 0.96530827174792 0.04672528037266 18.998 > 37 38 F 0.61308615698332 0.96530827174792 0.04672528037266 18.998 > 37 39 F 0.11308615698332 0.96530827174792 0.54672528037266 18.998 > 37 40 F 0.61308615698332 0.96530827174792 0.54672528037266 18.998 > 37 41 F 0.25600118834626 0.68371867177856 0.00585844538510 18.998 > 41 42 F 0.75600118834626 0.68371867177856 0.00585844538510 18.998 > 41 43 F 0.25600118834626 0.68371867177856 0.50585844538510 18.998 > 41 44 F 0.75600118834626 0.68371867177856 0.50585844538510 18.998 > 41 45 F 0.25000000000000 0.88254681040459 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.88254681040459 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.88254681040459 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.88254681040459 0.87500000000000 18.998 > 45 49 F 0.24399881165374 0.68371867177856 0.24414155461490 18.998 > 49 50 F 0.74399881165374 0.68371867177856 0.24414155461490 18.998 > 49 51 F 0.24399881165374 0.68371867177856 0.74414155461490 18.998 > 49 52 F 0.74399881165374 0.68371867177856 0.74414155461490 18.998 > 49 53 F 0.00600118834626 0.81628132822144 0.25585844538510 18.998 > 53 54 F 0.50600118834626 0.81628132822144 0.25585844538510 18.998 > 53 55 F 0.00600118834626 0.81628132822144 0.75585844538510 18.998 > 53 56 F 0.50600118834626 0.81628132822144 0.75585844538510 18.998 > 53 57 F 0.00000000000000 0.61745318959541 0.12500000000000 18.998 > 57 58 F 0.50000000000000 0.61745318959541 0.12500000000000 18.998 > 57 59 F 0.00000000000000 0.61745318959541 0.62500000000000 18.998 > 57 60 F 0.50000000000000 0.61745318959541 0.62500000000000 18.998 > 57 61 F 0.49399881165374 0.81628132822144 0.49414155461490 18.998 > 61 62 F 0.99399881165374 0.81628132822144 0.49414155461490 18.998 > 61 63 F 0.49399881165374 0.81628132822144 0.99414155461490 18.998 > 61 64 F 0.99399881165374 0.81628132822144 0.99414155461490 18.998 > 61 65 F 0.13691384301668 0.53469172825208 0.45327471962734 18.998 > 65 66 F 0.63691384301668 0.53469172825208 0.45327471962734 18.998 > 65 67 F 0.13691384301668 0.53469172825208 0.95327471962734 18.998 > 65 68 F 0.63691384301668 0.53469172825208 0.95327471962734 18.998 > 65 69 F 0.38691384301668 0.96530827174792 0.20327471962734 18.998 > 69 70 F 0.88691384301668 0.96530827174792 0.20327471962734 18.998 > 69 71 F 0.38691384301668 0.96530827174792 0.70327471962734 18.998 > 69 72 F 0.88691384301668 0.96530827174792 0.70327471962734 18.998 > 69 73 F 0.11308615698332 0.03469172825207 0.29672528037266 18.998 > 33 74 F 0.61308615698332 0.03469172825207 0.29672528037266 18.998 > 33 75 F 0.11308615698332 0.03469172825207 0.79672528037266 18.998 > 33 76 F 0.61308615698332 0.03469172825207 0.79672528037266 18.998 > 33 77 F 0.36308615698332 0.46530827174792 0.04672528037266 18.998 > 37 78 F 0.86308615698332 0.46530827174792 0.04672528037266 18.998 > 37 79 F 0.36308615698332 0.46530827174792 0.54672528037266 18.998 > 37 80 F 0.86308615698332 0.46530827174792 0.54672528037266 18.998 > 37 81 F 0.00600118834626 0.18371867177856 0.00585844538510 18.998 > 41 82 F 0.50600118834626 0.18371867177856 0.00585844538510 18.998 > 41 83 F 0.00600118834626 0.18371867177856 0.50585844538510 18.998 > 41 84 F 0.50600118834626 0.18371867177856 0.50585844538510 18.998 > 41 85 F 0.00000000000000 0.38254681040459 0.37500000000000 18.998 > 45 86 F 0.50000000000000 0.38254681040459 0.37500000000000 18.998 > 45 87 F 0.00000000000000 0.38254681040459 0.87500000000000 18.998 > 45 88 F 0.50000000000000 0.38254681040459 0.87500000000000 18.998 > 45 89 F 0.49399881165374 0.18371867177856 0.24414155461490 18.998 > 49 90 F 0.99399881165374 0.18371867177856 0.24414155461490 18.998 > 49 91 F 0.49399881165374 0.18371867177856 0.74414155461490 18.998 > 49 92 F 0.99399881165374 0.18371867177856 0.74414155461490 18.998 > 49 93 F 0.25600118834626 0.31628132822144 0.25585844538510 18.998 > 53 94 F 0.75600118834626 0.31628132822144 0.25585844538510 18.998 > 53 95 F 0.25600118834626 0.31628132822144 0.75585844538510 18.998 > 53 96 F 0.75600118834626 0.31628132822144 0.75585844538510 18.998 > 53 97 F 0.25000000000000 0.11745318959541 0.12500000000000 18.998 > 57 98 F 0.75000000000000 0.11745318959541 0.12500000000000 18.998 > 57 99 F 0.25000000000000 0.11745318959541 0.62500000000000 18.998 > 57 100 F 0.75000000000000 0.11745318959541 0.62500000000000 18.998 > 57 101 F 0.24399881165374 0.31628132822144 0.49414155461490 18.998 > 61 102 F 0.74399881165374 0.31628132822144 0.49414155461490 18.998 > 61 103 F 0.24399881165374 0.31628132822144 0.99414155461490 18.998 > 61 104 F 0.74399881165374 0.31628132822144 0.99414155461490 18.998 > 61 105 F 0.38691384301668 0.03469172825207 0.45327471962734 18.998 > 65 106 F 0.88691384301668 0.03469172825207 0.45327471962734 18.998 > 65 107 F 0.38691384301668 0.03469172825207 0.95327471962734 18.998 > 65 108 F 0.88691384301668 0.03469172825207 0.95327471962734 18.998 > 65 109 F 0.13691384301668 0.46530827174792 0.20327471962734 18.998 > 69 110 F 0.63691384301668 0.46530827174792 0.20327471962734 18.998 > 69 111 F 0.13691384301668 0.46530827174792 0.70327471962734 18.998 > 69 112 F 0.63691384301668 0.46530827174792 0.70327471962734 18.998 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5551465 0.0000000 0.0332677 0.0000000 2.5972549 0.0000000 0.0332674 0.0000000 2.5730424-------------------------- Born effective charges -------------------------- 1 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 2 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 3 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 4 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 5 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572 6 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 7 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 8 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 9 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 10 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 11 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 12 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 13 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 14 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572----------------------------------------------------------------------------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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100]Computing fc3[ 45, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 22:53:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 22:53:29]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/c (15)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.203768545017152 -8.053028774999998 0.000000000000000 b 2.203768545017152 8.053028774999998 0.000000000000000 c -0.276954013872453 0.000000000000000 5.836027642771407Atomic positions (fractional): 1 Ba 0.32741522154927 0.67258477845073 0.75000000000000 137.327 2 Ba 0.67258477845073 0.32741522154927 0.25000000000000 137.327 3 Y 0.07365743614839 0.92634256385161 0.75000000000000 88.906 4 Y 0.92634256385161 0.07365743614839 0.25000000000000 88.906 5 F 0.19148058571457 0.26086404221872 0.59345056074531 18.998 6 F 0.26086404221872 0.19148058571457 0.09345056074531 18.998 7 F 0.82828370491396 0.19572104847108 0.01171689077020 18.998 8 F 0.61745318959541 0.38254681040459 0.75000000000000 18.998 9 F 0.80427895152892 0.17171629508604 0.48828310922981 18.998 10 F 0.19572104847108 0.82828370491396 0.51171689077019 18.998 11 F 0.38254681040459 0.61745318959541 0.25000000000000 18.998 12 F 0.17171629508604 0.80427895152892 0.98828310922981 18.998 13 F 0.73913595778128 0.80851941428543 0.90654943925469 18.998 14 F 0.80851941428543 0.73913595778128 0.40654943925469 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 8.815074180068610 0.000000000000000 0.000000000000000 b 0.000000000000000 16.106057549999996 0.000000000000000 c -0.553908027744906 0.000000000000000 11.672055285542815Atomic positions (fractional): 1 Ba 0.00000000000000 0.67258477845073 0.37500000000000 137.327 > 1 2 Ba 0.50000000000000 0.67258477845073 0.37500000000000 137.327 > 1 3 Ba 0.00000000000000 0.67258477845073 0.87500000000000 137.327 > 1 4 Ba 0.50000000000000 0.67258477845073 0.87500000000000 137.327 > 1 5 Ba 0.25000000000000 0.82741522154927 0.12500000000000 137.327 > 5 6 Ba 0.75000000000000 0.82741522154927 0.12500000000000 137.327 > 5 7 Ba 0.25000000000000 0.82741522154927 0.62500000000000 137.327 > 5 8 Ba 0.75000000000000 0.82741522154927 0.62500000000000 137.327 > 5 9 Ba 0.25000000000000 0.17258477845073 0.37500000000000 137.327 > 1 10 Ba 0.75000000000000 0.17258477845073 0.37500000000000 137.327 > 1 11 Ba 0.25000000000000 0.17258477845073 0.87500000000000 137.327 > 1 12 Ba 0.75000000000000 0.17258477845073 0.87500000000000 137.327 > 1 13 Ba 0.00000000000000 0.32741522154927 0.12500000000000 137.327 > 5 14 Ba 0.50000000000000 0.32741522154927 0.12500000000000 137.327 > 5 15 Ba 0.00000000000000 0.32741522154927 0.62500000000000 137.327 > 5 16 Ba 0.50000000000000 0.32741522154927 0.62500000000000 137.327 > 5 17 Y 0.00000000000000 0.92634256385161 0.37500000000000 88.906 > 17 18 Y 0.50000000000000 0.92634256385161 0.37500000000000 88.906 > 17 19 Y 0.00000000000000 0.92634256385161 0.87500000000000 88.906 > 17 20 Y 0.50000000000000 0.92634256385161 0.87500000000000 88.906 > 17 21 Y 0.25000000000000 0.57365743614839 0.12500000000000 88.906 > 21 22 Y 0.75000000000000 0.57365743614839 0.12500000000000 88.906 > 21 23 Y 0.25000000000000 0.57365743614839 0.62500000000000 88.906 > 21 24 Y 0.75000000000000 0.57365743614839 0.62500000000000 88.906 > 21 25 Y 0.25000000000000 0.42634256385161 0.37500000000000 88.906 > 17 26 Y 0.75000000000000 0.42634256385161 0.37500000000000 88.906 > 17 27 Y 0.25000000000000 0.42634256385161 0.87500000000000 88.906 > 17 28 Y 0.75000000000000 0.42634256385161 0.87500000000000 88.906 > 17 29 Y 0.00000000000000 0.07365743614839 0.12500000000000 88.906 > 21 30 Y 0.50000000000000 0.07365743614839 0.12500000000000 88.906 > 21 31 Y 0.00000000000000 0.07365743614839 0.62500000000000 88.906 > 21 32 Y 0.50000000000000 0.07365743614839 0.62500000000000 88.906 > 21 33 F 0.36308615698332 0.53469172825208 0.29672528037266 18.998 > 33 34 F 0.86308615698332 0.53469172825208 0.29672528037266 18.998 > 33 35 F 0.36308615698332 0.53469172825208 0.79672528037266 18.998 > 33 36 F 0.86308615698332 0.53469172825208 0.79672528037266 18.998 > 33 37 F 0.11308615698332 0.96530827174792 0.04672528037266 18.998 > 37 38 F 0.61308615698332 0.96530827174792 0.04672528037266 18.998 > 37 39 F 0.11308615698332 0.96530827174792 0.54672528037266 18.998 > 37 40 F 0.61308615698332 0.96530827174792 0.54672528037266 18.998 > 37 41 F 0.25600118834626 0.68371867177856 0.00585844538510 18.998 > 41 42 F 0.75600118834626 0.68371867177856 0.00585844538510 18.998 > 41 43 F 0.25600118834626 0.68371867177856 0.50585844538510 18.998 > 41 44 F 0.75600118834626 0.68371867177856 0.50585844538510 18.998 > 41 45 F 0.25000000000000 0.88254681040459 0.37500000000000 18.998 > 45 46 F 0.75000000000000 0.88254681040459 0.37500000000000 18.998 > 45 47 F 0.25000000000000 0.88254681040459 0.87500000000000 18.998 > 45 48 F 0.75000000000000 0.88254681040459 0.87500000000000 18.998 > 45 49 F 0.24399881165374 0.68371867177856 0.24414155461490 18.998 > 49 50 F 0.74399881165374 0.68371867177856 0.24414155461490 18.998 > 49 51 F 0.24399881165374 0.68371867177856 0.74414155461490 18.998 > 49 52 F 0.74399881165374 0.68371867177856 0.74414155461490 18.998 > 49 53 F 0.00600118834626 0.81628132822144 0.25585844538510 18.998 > 53 54 F 0.50600118834626 0.81628132822144 0.25585844538510 18.998 > 53 55 F 0.00600118834626 0.81628132822144 0.75585844538510 18.998 > 53 56 F 0.50600118834626 0.81628132822144 0.75585844538510 18.998 > 53 57 F 0.00000000000000 0.61745318959541 0.12500000000000 18.998 > 57 58 F 0.50000000000000 0.61745318959541 0.12500000000000 18.998 > 57 59 F 0.00000000000000 0.61745318959541 0.62500000000000 18.998 > 57 60 F 0.50000000000000 0.61745318959541 0.62500000000000 18.998 > 57 61 F 0.49399881165374 0.81628132822144 0.49414155461490 18.998 > 61 62 F 0.99399881165374 0.81628132822144 0.49414155461490 18.998 > 61 63 F 0.49399881165374 0.81628132822144 0.99414155461490 18.998 > 61 64 F 0.99399881165374 0.81628132822144 0.99414155461490 18.998 > 61 65 F 0.13691384301668 0.53469172825208 0.45327471962734 18.998 > 65 66 F 0.63691384301668 0.53469172825208 0.45327471962734 18.998 > 65 67 F 0.13691384301668 0.53469172825208 0.95327471962734 18.998 > 65 68 F 0.63691384301668 0.53469172825208 0.95327471962734 18.998 > 65 69 F 0.38691384301668 0.96530827174792 0.20327471962734 18.998 > 69 70 F 0.88691384301668 0.96530827174792 0.20327471962734 18.998 > 69 71 F 0.38691384301668 0.96530827174792 0.70327471962734 18.998 > 69 72 F 0.88691384301668 0.96530827174792 0.70327471962734 18.998 > 69 73 F 0.11308615698332 0.03469172825207 0.29672528037266 18.998 > 33 74 F 0.61308615698332 0.03469172825207 0.29672528037266 18.998 > 33 75 F 0.11308615698332 0.03469172825207 0.79672528037266 18.998 > 33 76 F 0.61308615698332 0.03469172825207 0.79672528037266 18.998 > 33 77 F 0.36308615698332 0.46530827174792 0.04672528037266 18.998 > 37 78 F 0.86308615698332 0.46530827174792 0.04672528037266 18.998 > 37 79 F 0.36308615698332 0.46530827174792 0.54672528037266 18.998 > 37 80 F 0.86308615698332 0.46530827174792 0.54672528037266 18.998 > 37 81 F 0.00600118834626 0.18371867177856 0.00585844538510 18.998 > 41 82 F 0.50600118834626 0.18371867177856 0.00585844538510 18.998 > 41 83 F 0.00600118834626 0.18371867177856 0.50585844538510 18.998 > 41 84 F 0.50600118834626 0.18371867177856 0.50585844538510 18.998 > 41 85 F 0.00000000000000 0.38254681040459 0.37500000000000 18.998 > 45 86 F 0.50000000000000 0.38254681040459 0.37500000000000 18.998 > 45 87 F 0.00000000000000 0.38254681040459 0.87500000000000 18.998 > 45 88 F 0.50000000000000 0.38254681040459 0.87500000000000 18.998 > 45 89 F 0.49399881165374 0.18371867177856 0.24414155461490 18.998 > 49 90 F 0.99399881165374 0.18371867177856 0.24414155461490 18.998 > 49 91 F 0.49399881165374 0.18371867177856 0.74414155461490 18.998 > 49 92 F 0.99399881165374 0.18371867177856 0.74414155461490 18.998 > 49 93 F 0.25600118834626 0.31628132822144 0.25585844538510 18.998 > 53 94 F 0.75600118834626 0.31628132822144 0.25585844538510 18.998 > 53 95 F 0.25600118834626 0.31628132822144 0.75585844538510 18.998 > 53 96 F 0.75600118834626 0.31628132822144 0.75585844538510 18.998 > 53 97 F 0.25000000000000 0.11745318959541 0.12500000000000 18.998 > 57 98 F 0.75000000000000 0.11745318959541 0.12500000000000 18.998 > 57 99 F 0.25000000000000 0.11745318959541 0.62500000000000 18.998 > 57 100 F 0.75000000000000 0.11745318959541 0.62500000000000 18.998 > 57 101 F 0.24399881165374 0.31628132822144 0.49414155461490 18.998 > 61 102 F 0.74399881165374 0.31628132822144 0.49414155461490 18.998 > 61 103 F 0.24399881165374 0.31628132822144 0.99414155461490 18.998 > 61 104 F 0.74399881165374 0.31628132822144 0.99414155461490 18.998 > 61 105 F 0.38691384301668 0.03469172825207 0.45327471962734 18.998 > 65 106 F 0.88691384301668 0.03469172825207 0.45327471962734 18.998 > 65 107 F 0.38691384301668 0.03469172825207 0.95327471962734 18.998 > 65 108 F 0.88691384301668 0.03469172825207 0.95327471962734 18.998 > 65 109 F 0.13691384301668 0.46530827174792 0.20327471962734 18.998 > 69 110 F 0.63691384301668 0.46530827174792 0.20327471962734 18.998 > 69 111 F 0.13691384301668 0.46530827174792 0.70327471962734 18.998 > 69 112 F 0.63691384301668 0.46530827174792 0.70327471962734 18.998 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5551465 0.0000000 0.0332677 0.0000000 2.5972549 0.0000000 0.0332674 0.0000000 2.5730424-------------------------- Born effective charges -------------------------- 1 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 2 Ba 2.7127822 0.0000000 0.1106857 0.0000000 2.7390158 0.0000000 0.1005418 0.0000000 2.6287112 3 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 4 Y 3.5462987 0.0000000 0.0461084 0.0000000 3.7534999 0.0000000 0.0587475 0.0000000 3.7151560 5 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572 6 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 7 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 8 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 9 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 10 F -1.2105648 0.0082140 0.0232402 0.0170338 -1.4127565 -0.1280614 0.0156646 -0.1309602 -1.2914082 11 F -1.8845563 0.0000000 0.0164502 0.0000000 -0.8521618 0.0000000 0.0263245 0.0000000 -1.0643364 12 F -1.2105648 -0.0082140 0.0232402 -0.0170338 -1.4127565 0.1280614 0.0156646 0.1309602 -1.2914082 13 F -0.9766976 0.3015019 -0.1098623 0.3041366 -1.4074205 -0.2315856 -0.1084715 -0.2849498 -1.3483572 14 F -0.9766976 -0.3015019 -0.1098623 -0.3041366 -1.4074205 0.2315856 -0.1084715 0.2849498 -1.3483572----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 291, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/355) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.613 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.585 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/355) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.335 ( 13.469 -15.935 12.851) 24.504 0.618 ( 29.790 -7.672 -0.095) 30.763 1.002 ( 49.261 -7.562 7.805) 50.446 1.717 ( 9.789 4.154 -11.025) 15.317 2.138 ( 13.656 -1.794 0.682) 13.791 2.971 ( -1.544 4.327 -1.160) 4.738 3.076 ( -5.872 -3.657 -1.949) 7.187 3.627 ( 4.613 1.513 -1.171) 4.994 3.686 ( 4.662 2.185 7.782) 9.331 3.940 ( 4.314 0.765 -3.752) 5.768 4.086 ( 3.498 -6.831 5.169) 9.253 4.446 ( -3.968 -0.061 2.851) 4.887 4.531 ( 2.507 -0.066 2.187) 3.328 4.964 ( 4.765 0.092 2.914) 5.586 5.543 ( 0.569 2.024 3.550) 4.126 5.645 ( -1.474 1.832 2.839) 3.686 5.867 ( -2.828 0.260 7.050) 7.601 6.246 ( -2.106 -0.041 -2.466) 3.244 6.546 ( 1.245 3.062 -33.682) 33.844 6.715 ( -3.507 -3.913 -5.236) 7.418 6.924 ( -3.866 0.603 -0.699) 3.974 7.058 ( -3.329 2.809 -8.213) 9.296 7.080 ( 2.960 -0.277 -7.186) 7.777 7.380 ( 5.220 -1.305 -1.287) 5.533 7.433 ( 0.281 -0.657 -4.596) 4.651 7.872 ( -0.022 0.252 2.950) 2.961 8.028 ( 2.819 14.273 -8.464) 16.831 8.372 ( -7.653 -6.427 -3.377) 10.550 8.705 ( 0.363 7.698 7.127) 10.497 8.747 ( 1.146 -1.129 -0.216) 1.623 8.929 ( 6.648 0.610 -7.209) 9.825 9.196 ( -1.309 -5.674 26.128) 26.769 9.440 ( -3.981 -0.130 -1.653) 4.313 9.768 ( -0.564 -1.864 -1.649) 2.552 9.997 ( -0.974 1.146 3.237) 3.570 10.318 ( -4.550 10.639 18.878) 22.142 10.531 ( -1.530 2.899 -2.963) 4.419 11.363 ( 1.133 -1.980 1.909) 2.975 11.756 ( 5.714 2.440 4.018) 7.399 12.447 ( -5.479 8.657 -2.578) 10.564 12.850 ( 15.409 31.783 0.583) 35.326 13.739 ( -17.290 -57.186 -0.541) 59.745======================= Grid point 2 (3/355) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 15.818 -13.628 12.807) 24.494 1.184 ( 25.377 -6.599 0.531) 26.226 1.893 ( 28.190 -1.873 -7.120) 29.136 1.969 ( 30.570 -1.428 8.947) 31.884 2.424 ( 13.453 -0.613 1.852) 13.594 2.863 ( -5.334 6.052 -4.645) 9.309 3.009 ( -4.130 -7.391 -2.965) 8.970 3.651 ( -0.375 4.319 -0.431) 4.357 3.755 ( 0.939 -0.730 -0.497) 1.289 4.098 ( 11.313 -0.041 1.591) 11.425 4.240 ( 8.655 1.769 -4.460) 9.896 4.396 ( 2.929 -0.549 9.171) 9.643 4.604 ( 5.184 0.807 -0.862) 5.317 5.081 ( 6.709 0.887 4.276) 8.005 5.530 ( -1.997 0.124 4.716) 5.123 5.589 ( -2.782 5.324 5.879) 8.405 5.829 ( -2.056 -1.319 9.567) 9.874 6.139 ( -9.361 -0.334 -0.469) 9.378 6.506 ( -1.044 2.610 -19.538) 19.739 6.705 ( 0.762 -3.686 -11.010) 11.635 6.828 ( -3.974 0.979 -1.903) 4.514 6.942 ( -5.051 2.901 -0.702) 5.867 7.181 ( 5.737 1.545 -6.154) 8.554 7.434 ( -0.468 -2.168 -8.597) 8.879 7.491 ( 5.513 -2.478 -4.031) 7.265 7.885 ( 0.823 -0.715 5.651) 5.755 7.984 ( -1.205 5.852 -1.675) 6.205 8.216 ( -10.241 -6.585 -2.916) 12.520 8.729 ( 4.207 6.918 4.850) 9.439 8.775 ( 0.705 -1.435 -0.003) 1.599 8.991 ( -0.118 2.321 -8.026) 8.356 9.242 ( 2.523 -1.448 10.124) 10.534 9.358 ( -2.297 0.928 -1.497) 2.895 9.753 ( -2.322 -2.499 -2.751) 4.382 9.975 ( -0.523 2.170 4.625) 5.135 10.174 ( -6.124 7.633 12.187) 15.629 10.486 ( -3.376 -3.921 -1.959) 5.533 11.390 ( 1.687 2.695 3.525) 4.747 11.869 ( 5.954 1.938 4.864) 7.929 12.296 ( -7.042 0.931 -3.128) 7.761 12.964 ( 7.338 8.924 0.237) 11.556 13.700 ( -8.380 -22.315 -0.371) 23.839======================= Grid point 3 (4/355) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 16.540 -10.302 12.515) 23.159 1.613 ( 16.066 -4.998 0.378) 16.830 2.234 ( 19.327 1.939 -7.645) 20.874 2.543 ( 4.753 1.189 -0.504) 4.925 2.641 ( 8.434 2.053 -0.860) 8.723 2.865 ( 20.139 -5.009 7.890) 22.202 2.986 ( -1.157 -5.341 -4.700) 7.208 3.558 ( -7.877 -1.007 0.119) 7.942 3.764 ( 1.638 0.961 -3.557) 4.032 4.266 ( 0.455 0.440 -1.902) 2.004 4.307 ( 11.624 5.604 7.238) 14.796 4.694 ( 5.635 1.288 -0.568) 5.808 4.718 ( 22.049 1.214 1.138) 22.112 5.166 ( 0.246 0.643 1.301) 1.472 5.458 ( -3.250 7.968 7.040) 11.118 5.545 ( 0.877 0.408 5.541) 5.625 5.807 ( -3.448 -2.862 7.603) 8.826 5.922 ( -12.628 -1.369 1.805) 12.829 6.473 ( 1.107 2.279 -10.966) 11.255 6.715 ( -0.311 -1.317 -12.533) 12.606 6.808 ( 2.198 0.033 0.635) 2.288 6.836 ( -5.210 2.841 0.085) 5.935 7.224 ( 0.619 3.605 -8.518) 9.270 7.418 ( -2.233 -3.915 -11.901) 12.726 7.593 ( 3.640 -0.985 -8.884) 9.651 7.904 ( -0.613 -4.467 4.894) 6.654 7.934 ( -0.919 2.526 7.995) 8.434 8.144 ( 0.829 -5.727 0.216) 5.791 8.741 ( -1.940 1.249 0.061) 2.308 8.780 ( -1.435 0.828 1.477) 2.219 8.887 ( -5.798 2.796 -5.118) 8.224 9.314 ( 3.670 2.061 3.573) 5.521 9.392 ( 7.023 4.235 -1.784) 8.392 9.690 ( -5.173 -1.415 -1.264) 5.510 9.968 ( 0.546 1.983 3.675) 4.212 10.058 ( -4.166 1.288 8.622) 9.662 10.435 ( -4.781 -6.198 -1.924) 8.061 11.411 ( 2.997 7.050 5.142) 9.226 11.929 ( 0.575 3.306 0.061) 3.356 12.189 ( -4.836 -6.212 0.251) 7.877 13.027 ( 2.386 2.403 0.019) 3.386 13.660 ( -4.228 -9.253 -0.234) 10.176======================= Grid point 4 (5/355) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( 14.966 -5.440 10.543) 19.098 1.859 ( 8.292 -5.087 -1.066) 9.786 2.426 ( -3.509 4.011 -3.534) 6.395 2.581 ( 0.978 -0.520 -3.943) 4.096 2.703 ( 11.535 -1.310 -5.272) 12.750 2.979 ( 0.359 1.191 -4.118) 4.301 3.304 ( 4.823 -0.876 5.807) 7.599 3.523 ( 11.297 -9.221 8.829) 17.047 3.827 ( 6.069 -1.517 -5.525) 8.346 4.295 ( 3.319 2.033 -3.539) 5.261 4.497 ( 11.123 8.422 8.635) 16.407 4.713 ( -2.392 2.213 1.028) 3.417 5.034 ( -9.965 1.504 -4.595) 11.076 5.136 ( 17.926 1.213 0.932) 17.991 5.426 ( 3.123 7.223 7.416) 10.813 5.620 ( 2.347 -1.301 3.750) 4.611 5.649 ( -7.871 -1.761 2.611) 8.478 5.802 ( -3.747 -4.305 4.416) 7.216 6.509 ( 4.573 4.779 -2.296) 7.002 6.683 ( -9.042 2.188 -2.703) 9.688 6.713 ( -0.053 -1.620 -9.052) 9.196 6.866 ( 2.871 0.514 2.246) 3.681 7.180 ( -1.528 2.866 -8.052) 8.682 7.357 ( -4.497 -2.927 -14.524) 15.483 7.592 ( -1.313 2.252 -7.530) 7.969 7.943 ( 0.793 -6.986 5.447) 8.894 7.994 ( 5.756 -2.658 8.896) 10.924 8.256 ( 6.834 -3.061 2.897) 8.029 8.646 ( -5.974 0.871 -2.853) 6.677 8.695 ( -6.187 -4.814 -2.504) 8.230 8.816 ( -1.608 5.199 2.528) 6.000 9.332 ( 0.706 9.113 1.028) 9.198 9.507 ( 2.455 3.282 -5.126) 6.563 9.626 ( 2.691 -1.068 2.744) 3.989 9.981 ( 1.132 0.356 2.797) 3.038 10.022 ( -0.958 -2.165 4.332) 4.937 10.362 ( -6.327 -7.212 -1.965) 9.793 11.445 ( 4.621 9.493 6.213) 12.251 11.858 ( -5.702 0.591 -5.756) 8.124 12.175 ( -1.309 -6.301 3.945) 7.549 13.036 ( -0.400 0.130 -0.030) 0.422 13.636 ( -1.811 -3.244 -0.134) 3.718======================= Grid point 5 (6/355) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.726 ( 13.339 -0.955 5.523) 14.469 2.002 ( 3.916 -5.141 -0.335) 6.471 2.301 ( -6.220 1.855 0.517) 6.511 2.443 ( -10.704 -0.546 -4.572) 11.652 2.951 ( 7.812 1.853 -4.335) 9.124 3.037 ( 8.207 0.111 -3.209) 8.813 3.280 ( -2.860 -2.013 1.437) 3.781 3.826 ( 11.600 -4.648 10.496) 16.320 4.014 ( 10.267 -3.872 -3.762) 11.599 4.347 ( 3.160 2.304 -2.368) 4.572 4.531 ( -12.017 3.324 -1.407) 12.548 4.661 ( 6.622 6.920 7.212) 11.990 4.868 ( -4.291 1.233 -4.035) 6.018 5.262 ( -4.684 0.381 2.080) 5.139 5.484 ( 4.025 2.373 3.559) 5.873 5.594 ( 5.869 -0.689 -0.154) 5.911 5.679 ( -2.803 -1.973 0.642) 3.487 5.862 ( 8.644 -3.140 5.972) 10.965 6.432 ( -11.531 3.543 -5.024) 13.067 6.606 ( 4.763 5.525 2.696) 7.777 6.705 ( -2.105 -4.392 -7.173) 8.670 6.901 ( 0.999 1.279 1.987) 2.566 7.158 ( 1.198 1.424 0.096) 1.863 7.277 ( -3.683 -1.876 -13.468) 14.088 7.551 ( -0.986 1.721 -3.375) 3.915 7.997 ( 0.349 -5.831 3.964) 7.059 8.121 ( 4.652 -1.088 4.969) 6.893 8.405 ( 6.866 -1.933 1.538) 7.297 8.566 ( -1.935 -0.502 -1.934) 2.781 8.616 ( -4.315 -4.924 -2.618) 7.051 8.739 ( -3.873 4.332 3.110) 6.591 9.259 ( -2.475 8.419 0.361) 8.782 9.458 ( -2.594 0.544 -1.690) 3.144 9.789 ( 10.309 1.326 -1.299) 10.474 9.998 ( -0.520 -0.502 3.698) 3.768 10.035 ( 0.855 -1.111 0.970) 1.705 10.273 ( -6.187 -6.428 -1.669) 9.077 11.503 ( 6.283 9.879 6.590) 13.435 11.730 ( -7.648 -3.967 -6.881) 11.027 12.187 ( -0.511 -3.129 2.723) 4.180 13.022 ( -0.855 -0.381 0.000) 0.936 13.623 ( -0.690 -0.815 -0.073) 1.070======================= Grid point 6 (7/355) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 326Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.920 ( 0.000 -0.000 -0.000) 0.000 2.022 ( 0.000 -0.000 -0.000) 0.000 2.229 ( -0.000 0.000 -0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 3.013 ( 0.000 -0.000 0.000) 0.000 3.136 ( 0.000 -0.000 0.000) 0.000 3.253 ( 0.000 -0.000 -0.000) 0.000 4.013 ( 0.000 0.000 -0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.323 ( -0.000 0.000 0.000) 0.000 4.372 ( 0.000 -0.000 -0.000) 0.000 4.720 ( 0.000 -0.000 0.000) 0.000 4.827 ( 0.000 0.000 -0.000) 0.000 5.193 ( 0.000 -0.000 -0.000) 0.000 5.516 ( 0.000 -0.000 -0.000) 0.000 5.644 ( 0.000 -0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 -0.000 0.000) 0.000 6.243 ( -0.000 -0.000 -0.000) 0.000 6.663 ( -0.000 -0.000 -0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 -0.000) 0.000 7.191 ( 0.000 -0.000 -0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 -0.000 0.000) 0.000 8.017 ( 0.000 0.000 -0.000) 0.000 8.170 ( 0.000 -0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.547 ( 0.000 -0.000 -0.000) 0.000 8.582 ( -0.000 0.000 -0.000) 0.000 8.674 ( 0.000 -0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.934 ( -0.000 -0.000 0.000) 0.000 9.956 ( 0.000 0.000 -0.000) 0.000 10.050 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 -0.000 0.000) 0.000 11.574 ( -0.000 -0.000 -0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 -0.000) 0.000 13.618 ( 0.000 -0.000 0.000) 0.000======================= Grid point 14 (8/355) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 18.211 -0.000 16.714) 24.719 1.148 ( 26.553 -0.000 1.560) 26.598 1.876 ( 36.991 -0.000 -3.246) 37.133 1.971 ( 22.644 -0.000 3.363) 22.893 2.419 ( 13.602 -0.000 1.768) 13.717 2.919 ( -7.856 0.000 -3.809) 8.730 2.946 ( -2.145 0.000 -4.341) 4.842 3.678 ( -2.073 0.000 -0.028) 2.073 3.748 ( 2.094 -0.000 0.092) 2.096 4.097 ( 11.733 -0.000 1.383) 11.815 4.249 ( 8.494 -0.000 -4.733) 9.724 4.393 ( 4.162 -0.000 9.403) 10.283 4.608 ( 5.018 -0.000 -0.198) 5.022 5.086 ( 6.797 -0.000 4.294) 8.040 5.527 ( -1.971 0.000 4.064) 4.517 5.627 ( -2.007 0.000 7.069) 7.348 5.815 ( -3.200 0.000 9.703) 10.217 6.137 ( -9.553 0.000 -0.338) 9.559 6.525 ( -1.173 0.000 -24.007) 24.035 6.681 ( 1.259 -0.000 -9.001) 9.089 6.833 ( -4.062 0.000 -1.792) 4.440 6.959 ( -5.141 0.000 -1.387) 5.325 7.190 ( 6.294 -0.000 -6.030) 8.716 7.422 ( -0.971 0.000 -8.383) 8.439 7.477 ( 5.549 -0.000 -2.982) 6.300 7.880 ( 0.254 -0.000 5.145) 5.151 8.029 ( -1.008 0.000 -5.599) 5.689 8.168 ( -11.228 0.000 0.798) 11.256 8.761 ( 0.156 -0.000 -0.411) 0.439 8.775 ( 3.506 -0.000 4.872) 6.002 9.004 ( -0.124 0.000 -8.160) 8.161 9.233 ( 3.203 -0.000 11.685) 12.117 9.363 ( -1.507 0.000 -1.232) 1.947 9.739 ( -1.958 0.000 -3.370) 3.898 9.986 ( -0.679 0.000 4.209) 4.264 10.219 ( -8.459 0.000 13.614) 16.028 10.462 ( -3.997 0.000 -3.209) 5.126 11.404 ( 2.765 -0.000 4.240) 5.062 11.883 ( 6.040 -0.000 6.172) 8.636 12.301 ( -9.588 0.000 -4.494) 10.589 13.030 ( 2.250 -0.000 -0.053) 2.250 13.558 ( 0.798 -0.000 -0.182) 0.819======================= Grid point 15 (9/355) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 19.140 -3.879 15.421) 24.883 1.575 ( 16.946 -1.979 1.298) 17.110 2.249 ( 19.275 0.785 -7.988) 20.879 2.563 ( 2.800 2.003 -0.305) 3.456 2.639 ( 15.967 -1.524 0.103) 16.040 2.838 ( 13.047 -0.778 5.313) 14.109 2.945 ( 1.964 -2.290 -4.861) 5.721 3.551 ( -10.191 -0.365 0.300) 10.202 3.773 ( 1.312 0.543 -3.391) 3.676 4.268 ( 1.304 0.099 0.448) 1.382 4.346 ( 12.725 1.914 5.007) 13.808 4.701 ( 4.226 0.217 -0.630) 4.278 4.729 ( 23.135 0.654 2.165) 23.245 5.170 ( -0.280 0.181 1.021) 1.074 5.505 ( 0.145 1.203 5.686) 5.814 5.576 ( -1.632 4.283 7.871) 9.108 5.767 ( -4.221 -3.630 7.705) 9.506 5.911 ( -13.482 -0.540 1.853) 13.619 6.497 ( 1.598 1.688 -14.345) 14.532 6.699 ( 0.449 -1.266 -14.800) 14.861 6.811 ( 2.011 0.272 4.102) 4.576 6.859 ( -5.708 1.269 -0.646) 5.883 7.257 ( 1.216 2.233 -8.721) 9.084 7.381 ( -2.700 -2.451 -11.312) 11.885 7.585 ( 5.404 -0.434 -6.840) 8.728 7.870 ( -1.645 -1.743 3.870) 4.552 7.972 ( -5.153 3.610 5.892) 8.620 8.085 ( 3.912 -4.609 2.103) 6.401 8.734 ( -3.248 -0.826 -1.164) 3.547 8.798 ( -3.571 1.186 1.423) 4.023 8.912 ( -4.421 1.440 -4.196) 6.263 9.324 ( 5.448 0.295 3.877) 6.693 9.431 ( 8.061 2.424 -0.398) 8.427 9.677 ( -4.716 -0.862 -3.142) 5.732 9.982 ( 0.143 0.683 3.000) 3.081 10.069 ( -7.392 0.631 11.148) 13.391 10.388 ( -4.443 -2.444 -3.157) 5.974 11.461 ( 3.302 2.367 5.615) 6.931 11.976 ( 3.070 4.400 4.209) 6.819 12.124 ( -8.514 -5.181 -4.045) 10.756 13.048 ( 0.428 1.287 -0.155) 1.365 13.588 ( 0.413 -4.022 -0.175) 4.047======================= Grid point 16 (10/355) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.394 ( 17.808 -2.866 13.191) 22.346 1.814 ( 7.946 -3.204 -0.691) 8.596 2.471 ( -4.460 4.433 -4.295) 7.615 2.565 ( -0.755 -2.520 -5.834) 6.400 2.692 ( 13.353 -0.822 -4.639) 14.159 2.990 ( 1.686 0.809 -3.577) 4.036 3.312 ( 5.435 2.483 6.009) 8.474 3.430 ( 11.853 -8.288 8.237) 16.644 3.816 ( 4.551 -0.641 -4.931) 6.741 4.312 ( 3.640 1.274 -1.582) 4.168 4.569 ( 11.140 5.050 7.025) 14.105 4.729 ( -1.961 0.783 1.134) 2.397 5.046 ( -9.794 0.900 -4.937) 11.005 5.144 ( 18.001 0.446 1.427) 18.063 5.503 ( 1.569 6.874 8.180) 10.799 5.614 ( -2.130 -0.059 2.615) 3.373 5.634 ( -3.425 -0.983 3.845) 5.243 5.748 ( -4.619 -5.738 4.642) 8.707 6.551 ( 5.709 3.167 -4.919) 8.174 6.690 ( -1.509 -1.436 -11.555) 11.742 6.705 ( -9.034 1.008 -4.743) 10.253 6.876 ( 3.713 1.126 6.832) 7.857 7.210 ( -2.602 2.658 -9.656) 10.347 7.324 ( -3.866 -3.071 -12.725) 13.649 7.617 ( -0.644 2.288 -7.508) 7.876 7.880 ( 0.565 -4.904 5.216) 7.182 7.980 ( 5.915 -0.355 8.960) 10.742 8.223 ( 7.295 -2.827 3.991) 8.783 8.649 ( -5.863 -0.841 -2.298) 6.353 8.658 ( -7.325 -1.593 -2.894) 8.035 8.859 ( -2.265 2.900 2.213) 4.294 9.405 ( 2.526 4.766 0.002) 5.394 9.546 ( -1.484 3.629 -2.783) 4.808 9.619 ( 6.410 -0.036 1.438) 6.569 9.973 ( -2.511 -2.270 6.321) 7.170 10.001 ( 0.265 -1.075 1.942) 2.236 10.309 ( -5.147 -3.208 -2.725) 6.649 11.516 ( 3.934 4.305 6.056) 8.408 11.882 ( -7.700 3.795 -5.799) 10.360 12.107 ( 0.634 -6.379 3.976) 7.544 13.037 ( -0.968 0.101 -0.069) 0.976 13.608 ( 0.168 -1.956 -0.159) 1.970======================= Grid point 17 (11/355) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( 15.217 0.437 8.013) 17.203 1.949 ( 4.941 -4.693 -1.041) 6.894 2.318 ( -8.819 1.409 0.182) 8.933 2.439 ( -8.444 -0.224 -5.808) 10.251 2.972 ( 8.127 2.107 -4.619) 9.583 3.032 ( 7.055 -1.044 -2.844) 7.678 3.264 ( -2.270 -1.094 1.815) 3.106 3.781 ( 12.702 -3.843 13.124) 18.664 3.974 ( 10.398 -3.302 -5.401) 12.174 4.371 ( 3.005 2.080 0.202) 3.660 4.566 ( -12.088 3.220 -0.824) 12.536 4.722 ( 4.921 4.659 3.842) 7.790 4.879 ( -4.908 0.950 -4.526) 6.744 5.261 ( -5.648 -0.442 1.811) 5.948 5.517 ( 2.401 3.989 5.013) 6.842 5.587 ( 6.882 -0.584 -0.066) 6.907 5.660 ( -2.637 -1.845 1.861) 3.718 5.828 ( 9.430 -3.113 5.412) 11.310 6.463 ( -12.451 2.335 -6.029) 14.029 6.652 ( 3.068 1.469 -3.066) 4.579 6.665 ( -0.308 -1.217 -6.311) 6.434 6.920 ( 0.931 2.299 4.064) 4.762 7.168 ( 0.565 0.655 -0.513) 1.005 7.254 ( -3.708 -2.333 -11.052) 11.889 7.574 ( -1.481 2.341 -3.789) 4.694 7.940 ( 2.267 -4.798 4.829) 7.175 8.125 ( 7.136 1.564 4.589) 8.628 8.377 ( 6.784 -3.269 1.982) 7.787 8.551 ( -4.748 -2.699 -1.682) 5.714 8.575 ( -1.964 -2.104 -2.295) 3.682 8.777 ( -4.763 2.880 2.816) 6.237 9.324 ( -6.617 3.903 -0.231) 7.686 9.493 ( -0.235 5.998 0.173) 6.006 9.793 ( 9.067 -0.684 -1.859) 9.281 9.963 ( -2.116 -5.260 3.925) 6.895 10.031 ( 1.947 0.150 0.267) 1.971 10.238 ( -2.315 -0.938 -1.476) 2.901 11.571 ( 2.547 2.695 3.752) 5.275 11.713 ( -7.120 1.304 -4.630) 8.592 12.154 ( 1.204 -3.110 2.643) 4.256 13.019 ( -0.818 -0.281 0.080) 0.869 13.616 ( 0.002 -0.587 -0.156) 0.607======================= Grid point 18 (12/355) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -0.319 0.981 0.784) 1.295 2.020 ( 2.243 -0.404 -0.611) 2.360 2.225 ( 4.217 -0.764 3.725) 5.678 2.308 ( -3.442 0.742 -3.881) 5.240 3.014 ( -1.040 0.084 -0.470) 1.144 3.134 ( -0.296 -0.416 0.909) 1.042 3.253 ( 1.292 0.124 0.158) 1.308 4.003 ( 4.453 -1.706 7.599) 8.971 4.118 ( 1.924 -2.097 -5.712) 6.382 4.331 ( -4.359 1.594 -0.993) 4.747 4.386 ( -0.883 2.082 3.247) 3.957 4.718 ( -4.252 -0.327 -3.797) 5.710 4.828 ( -0.614 0.039 -0.285) 0.678 5.194 ( 0.592 0.197 -0.372) 0.726 5.522 ( -0.998 1.197 1.415) 2.105 5.644 ( 1.009 -0.116 1.402) 1.731 5.678 ( 0.302 0.001 0.539) 0.618 6.019 ( 4.108 -0.956 -0.007) 4.218 6.246 ( -4.193 0.541 -1.699) 4.557 6.604 ( -4.559 -5.758 -7.563) 10.542 6.725 ( 3.569 4.904 2.835) 6.695 6.912 ( -0.359 1.390 0.126) 1.441 7.181 ( -2.858 -1.722 -5.979) 6.847 7.220 ( 2.443 -0.144 9.536) 9.846 7.541 ( -0.725 0.867 -0.699) 1.328 8.012 ( 3.204 -0.722 2.211) 3.960 8.196 ( 1.698 4.831 -1.845) 5.443 8.496 ( -2.444 -2.363 1.144) 3.586 8.522 ( 5.713 -4.192 -1.391) 7.221 8.578 ( 0.194 -0.639 -1.267) 1.432 8.682 ( -2.684 1.381 2.540) 3.945 9.194 ( -5.377 -1.628 0.705) 5.662 9.466 ( 1.028 6.298 0.589) 6.409 9.904 ( -6.154 -7.440 0.917) 9.699 9.938 ( 3.646 -0.392 -2.007) 4.180 10.049 ( 0.040 -0.090 -0.366) 0.379 10.264 ( 6.305 6.576 0.768) 9.143 11.503 ( -9.236 -8.424 -7.124) 14.388 11.691 ( 5.401 6.943 6.145) 10.731 12.189 ( 1.517 -0.385 -0.032) 1.566 13.015 ( 0.286 0.006 0.140) 0.319 13.619 ( 0.296 0.013 -0.113) 0.317======================= Grid point 19 (13/355) =======================q-point: (-0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( -11.587 1.996 -2.364) 11.993 2.052 ( -2.271 4.456 -0.780) 5.062 2.282 ( 4.397 -1.728 -1.503) 4.957 2.450 ( 11.928 0.714 3.407) 12.426 2.934 ( -7.363 -1.391 3.858) 8.428 3.030 ( -9.488 -1.056 4.598) 10.596 3.305 ( 3.983 2.640 -1.171) 4.920 3.873 ( -10.930 4.191 -6.357) 13.321 4.042 ( -8.931 1.220 0.286) 9.019 4.333 ( -3.727 0.037 5.767) 6.867 4.500 ( 12.205 -2.713 1.372) 12.578 4.587 ( -9.230 -6.956 -10.255) 15.451 4.855 ( 3.591 -1.160 3.614) 5.225 5.254 ( 2.858 -0.985 -2.537) 3.946 5.467 ( -5.220 -1.100 -2.038) 5.711 5.601 ( -4.506 0.678 0.126) 4.559 5.703 ( 3.563 2.480 0.372) 4.357 5.889 ( -8.972 2.054 -6.617) 11.336 6.394 ( 10.370 -3.509 3.554) 11.510 6.545 ( -3.368 -6.085 -3.947) 7.997 6.748 ( 0.742 3.597 3.457) 5.044 6.898 ( -0.706 0.804 0.052) 1.072 7.138 ( -1.686 -2.394 0.144) 2.932 7.291 ( 3.737 0.958 15.586) 16.056 7.540 ( 0.739 -0.409 2.758) 2.885 8.054 ( 1.720 4.915 -1.992) 5.575 8.152 ( -2.974 4.782 -6.140) 8.331 8.416 ( -6.325 0.255 -0.933) 6.399 8.567 ( 0.903 -0.320 1.856) 2.089 8.659 ( 6.307 1.610 1.328) 6.643 8.694 ( 2.126 -2.852 -1.901) 4.034 9.165 ( -0.731 -8.995 0.905) 9.070 9.476 ( 2.606 3.766 1.748) 4.902 9.767 ( -9.580 -2.988 0.797) 10.067 9.986 ( 0.122 -2.024 -2.554) 3.261 10.043 ( -0.381 0.256 -1.528) 1.596 10.367 ( 8.395 10.894 1.136) 13.800 11.384 ( -7.833 -12.423 -6.971) 16.257 11.778 ( 5.943 4.804 6.454) 10.003 12.216 ( 1.974 2.390 -2.769) 4.157 13.026 ( 0.888 0.379 0.089) 0.970 13.632 ( 1.479 0.828 -0.022) 1.695======================= Grid point 20 (14/355) =======================q-point: (-0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( -11.452 6.854 -6.359) 14.784 1.914 ( -8.644 5.307 0.788) 10.174 2.392 ( 3.106 -2.359 1.705) 4.257 2.575 ( -2.123 -1.668 1.758) 3.221 2.715 ( -12.212 0.852 6.796) 14.002 2.968 ( 2.307 -0.917 4.704) 5.319 3.330 ( -3.091 4.034 -5.132) 7.222 3.612 ( -10.782 7.609 -9.166) 16.067 3.847 ( -7.867 2.292 5.339) 9.780 4.273 ( -3.347 -1.959 7.022) 8.022 4.402 ( -11.461 -9.566 -11.944) 19.119 4.685 ( 2.865 -3.028 -0.286) 4.178 5.015 ( 10.555 -1.957 4.354) 11.584 5.118 ( -17.943 -2.166 -0.816) 18.091 5.361 ( -5.127 -5.175 -6.371) 9.678 5.641 ( -3.620 2.527 -4.445) 6.265 5.668 ( 8.097 1.637 -2.209) 8.551 5.833 ( 2.841 1.510 -4.055) 5.176 6.459 ( -2.289 -4.460 -0.133) 5.015 6.654 ( 8.439 -3.461 2.494) 9.456 6.725 ( -1.614 0.724 3.065) 3.538 6.872 ( -1.562 1.820 3.116) 3.932 7.151 ( 0.884 -2.888 7.120) 7.734 7.382 ( 4.898 1.894 16.220) 17.049 7.575 ( 1.814 -0.990 7.002) 7.301 8.015 ( -1.934 6.457 -5.516) 8.710 8.039 ( -4.398 6.062 -8.391) 11.247 8.282 ( -6.359 1.843 -1.603) 6.813 8.632 ( 4.592 -1.934 2.640) 5.639 8.743 ( 2.558 -0.601 -0.966) 2.800 8.763 ( 4.473 -0.176 0.658) 4.525 9.227 ( 0.706 -10.583 -0.080) 10.607 9.485 ( -4.250 -0.934 4.664) 6.379 9.638 ( -0.887 1.264 -2.877) 3.266 9.971 ( -1.923 -1.626 -2.182) 3.332 10.035 ( 0.166 0.525 -3.511) 3.554 10.456 ( 6.664 10.584 0.788) 12.532 11.326 ( -4.794 -12.984 -5.713) 14.973 11.867 ( 4.384 1.944 5.422) 7.238 12.233 ( 2.089 4.784 -4.294) 6.759 13.035 ( -0.227 -0.085 -0.015) 0.243 13.672 ( 4.184 3.538 0.086) 5.480======================= Grid point 21 (15/355) =======================q-point: (-0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.212 ( -12.852 13.709 -8.057) 20.446 1.671 ( -14.813 5.921 0.656) 15.966 2.214 ( -19.252 -1.851 7.513) 20.749 2.542 ( -2.859 0.735 1.501) 3.312 2.595 ( -7.611 -6.273 -0.280) 9.867 2.936 ( -20.871 7.942 -9.277) 24.181 3.052 ( 2.154 7.310 3.369) 8.332 3.570 ( 3.601 1.008 0.159) 3.742 3.759 ( -1.547 0.297 3.717) 4.037 4.224 ( -8.672 -9.155 -0.235) 12.613 4.266 ( -1.073 -0.648 -4.705) 4.869 4.675 ( -7.399 -2.252 0.549) 7.753 4.705 ( -20.411 -1.539 0.364) 20.473 5.156 ( -1.268 -1.214 -1.769) 2.492 5.369 ( 4.470 -8.309 -6.609) 11.519 5.554 ( -0.828 1.733 -4.757) 5.130 5.814 ( 1.540 -1.566 -7.418) 7.737 5.938 ( 11.878 1.704 -1.429) 12.084 6.461 ( 0.935 0.133 6.724) 6.790 6.715 ( 0.662 -1.494 6.778) 6.972 6.794 ( 3.289 -3.288 1.644) 4.933 6.829 ( -0.965 2.128 3.324) 4.063 7.188 ( -0.264 -3.241 8.144) 8.769 7.455 ( 2.170 3.199 12.917) 13.483 7.603 ( -1.258 0.904 10.734) 10.845 7.927 ( -2.528 1.393 -9.283) 9.721 7.959 ( -0.328 5.801 -6.423) 8.661 8.195 ( 0.205 4.002 1.861) 4.418 8.690 ( -2.654 -7.333 -2.807) 8.288 8.785 ( 2.020 -0.547 0.142) 2.098 8.871 ( 6.709 0.863 5.603) 8.783 9.273 ( -0.329 -5.629 -1.497) 5.834 9.362 ( -6.449 -1.281 1.740) 6.801 9.702 ( 5.528 0.819 -1.549) 5.799 9.942 ( -1.819 -2.981 -3.746) 5.121 10.044 ( 1.242 -1.295 -5.782) 6.054 10.510 ( 4.193 8.133 0.425) 9.160 11.320 ( -1.826 -10.122 -3.824) 10.973 11.914 ( 0.201 0.222 1.730) 1.756 12.244 ( 2.348 4.311 -2.708) 5.607 13.004 ( -4.013 -1.896 -0.198) 4.442 13.764 ( 9.482 10.052 0.234) 13.821======================= Grid point 22 (16/355) =======================q-point: (-0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -12.319 19.150 -6.171) 23.592 1.272 ( -23.017 9.481 1.724) 24.953 1.881 ( -17.943 -3.430 8.569) 20.178 2.045 ( -37.285 12.853 -13.684) 41.745 2.420 ( -12.756 -1.973 -2.176) 13.090 2.808 ( 3.332 -4.254 4.347) 6.935 3.086 ( 3.780 7.359 1.465) 8.402 3.605 ( -0.622 -4.222 1.611) 4.561 3.759 ( -0.754 0.147 1.426) 1.619 4.090 ( -9.626 -2.194 -1.971) 10.068 4.211 ( -9.953 -3.822 3.890) 11.349 4.405 ( -0.400 1.291 -8.451) 8.558 4.591 ( -5.606 -1.739 2.583) 6.413 5.067 ( -6.398 -1.696 -4.229) 7.855 5.488 ( 2.544 -6.907 -6.405) 9.757 5.575 ( 3.606 2.169 -3.362) 5.386 5.823 ( 0.392 -2.780 -8.688) 9.131 6.146 ( 9.219 1.159 0.564) 9.309 6.492 ( 1.219 0.373 12.767) 12.831 6.742 ( 0.075 2.980 11.860) 12.229 6.814 ( 3.376 -1.435 2.576) 4.483 6.906 ( 5.122 -3.737 -0.599) 6.369 7.162 ( -4.705 -2.030 6.140) 7.997 7.461 ( -0.391 2.819 9.155) 9.587 7.521 ( -5.813 3.060 6.341) 9.130 7.879 ( -2.574 -2.195 -6.122) 6.994 7.953 ( 0.545 0.726 -2.724) 2.871 8.277 ( 9.471 4.805 6.118) 12.256 8.638 ( -5.936 -9.933 -5.408) 12.773 8.796 ( -0.383 2.228 0.293) 2.279 8.961 ( 0.043 -3.083 7.740) 8.331 9.257 ( -1.598 1.320 -7.296) 7.585 9.345 ( 3.995 -1.461 2.027) 4.712 9.783 ( 3.393 2.950 1.118) 4.634 9.936 ( -0.406 -5.663 -6.349) 8.518 10.089 ( 1.659 -7.549 -9.035) 11.890 10.532 ( 1.591 4.714 0.381) 4.990 11.352 ( 1.292 -4.416 -1.519) 4.846 11.859 ( -5.657 0.333 -2.865) 6.350 12.282 ( 2.267 -1.719 0.455) 2.882 12.890 ( -9.999 -4.901 -0.446) 11.145 13.938 ( 18.069 21.725 0.457) 28.261======================= Grid point 23 (17/355) =======================q-point: (-0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -10.573 22.293 -0.440) 24.677 0.737 ( -27.192 12.652 6.339) 30.654 1.172 ( -38.248 25.516 -14.571) 48.232 1.649 ( -11.875 -8.037 5.787) 15.463 2.164 ( -12.182 2.527 -0.370) 12.447 2.903 ( 1.688 -8.106 1.930) 8.502 3.127 ( 4.159 5.617 0.192) 6.992 3.608 ( -1.243 -1.404 2.392) 3.039 3.664 ( -8.506 -1.585 -2.156) 8.917 3.924 ( -5.056 -2.352 3.308) 6.483 4.159 ( 5.129 4.146 -7.243) 9.796 4.448 ( 1.644 0.121 0.022) 1.648 4.529 ( -0.852 -0.440 -2.487) 2.666 4.963 ( -4.117 -0.020 -2.600) 4.869 5.496 ( -4.749 -5.913 -2.906) 8.122 5.644 ( 4.236 2.293 -1.653) 5.093 5.854 ( 1.994 -2.535 -7.118) 7.814 6.252 ( 3.241 1.174 1.323) 3.692 6.515 ( -1.449 -2.176 19.897) 20.068 6.764 ( 4.380 4.607 8.925) 10.957 6.911 ( 3.904 -1.898 2.049) 4.800 7.024 ( 3.266 -3.141 2.974) 5.420 7.075 ( -3.344 -1.086 6.630) 7.504 7.395 ( -6.617 0.668 4.569) 8.069 7.445 ( -0.687 1.516 4.783) 5.064 7.822 ( -9.593 -11.075 -4.746) 15.401 7.915 ( -4.255 -1.417 -3.360) 5.604 8.432 ( 5.653 3.612 9.967) 12.014 8.612 ( 1.049 -8.270 -9.433) 12.589 8.766 ( -0.843 2.578 -0.380) 2.739 8.919 ( -5.655 -1.177 7.475) 9.446 9.255 ( 5.084 3.889 -12.749) 14.266 9.443 ( 4.461 0.603 0.387) 4.518 9.797 ( -0.013 3.116 0.694) 3.192 9.970 ( 1.083 -4.526 -4.645) 6.575 10.147 ( -3.135 -17.577 -13.339) 22.287 10.519 ( -1.810 0.684 1.920) 2.726 11.395 ( 2.168 3.795 -0.110) 4.372 11.729 ( -6.319 -1.740 -2.703) 7.090 12.307 ( -6.584 -13.438 0.643) 14.978 12.681 ( -13.317 -4.245 -0.412) 13.983 14.269 ( 36.098 37.933 0.993) 52.373======================= Grid point 24 (18/355) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.178 ( 0.000 16.986 0.000) 16.986 0.276 ( 0.000 26.559 0.000) 26.559 0.520 ( 0.000 49.974 0.000) 49.974 1.569 ( -0.000 -7.743 -0.000) 7.743 2.012 ( 0.000 4.479 0.000) 4.479 2.951 ( -0.000 -6.849 -0.000) 6.849 3.157 ( 0.000 3.444 0.000) 3.444 3.550 ( -0.000 -1.582 -0.000) 1.582 3.593 ( 0.000 3.027 0.000) 3.027 3.900 ( -0.000 -2.219 -0.000) 2.219 4.400 ( -0.000 -0.705 -0.000) 0.705 4.499 ( -0.000 -11.262 -0.000) 11.262 4.509 ( 0.000 3.355 0.000) 3.355 4.928 ( 0.000 1.736 0.000) 1.736 5.330 ( 0.000 2.214 0.000) 2.214 5.679 ( 0.000 3.333 0.000) 3.333 5.888 ( -0.000 -1.970 -0.000) 1.970 6.343 ( 0.000 1.809 0.000) 1.809 6.445 ( -0.000 -1.454 -0.000) 1.454 6.896 ( -0.000 -0.821 -0.000) 0.821 6.945 ( 0.000 2.003 0.000) 2.003 6.966 ( -0.000 -0.518 -0.000) 0.518 7.103 ( -0.000 -0.966 -0.000) 0.966 7.273 ( -0.000 -6.388 -0.000) 6.388 7.435 ( 0.000 0.883 0.000) 0.883 7.492 ( 0.000 5.617 0.000) 5.617 7.880 ( 0.000 1.140 0.000) 1.140 8.464 ( -0.000 -0.921 -0.000) 0.921 8.703 ( -0.000 -3.904 -0.000) 3.904 8.783 ( 0.000 3.343 0.000) 3.343 8.796 ( 0.000 1.037 0.000) 1.037 9.426 ( -0.000 -4.049 -0.000) 4.049 9.504 ( 0.000 2.956 0.000) 2.956 9.751 ( -0.000 -3.293 -0.000) 3.293 9.992 ( -0.000 -2.306 -0.000) 2.306 10.001 ( -0.000 -1.480 -0.000) 1.480 10.477 ( 0.000 1.430 0.000) 1.430 11.367 ( 0.000 5.103 0.000) 5.103 11.702 ( -0.000 -0.228 -0.000) 0.228 12.092 ( -0.000 -2.194 -0.000) 2.194 12.559 ( 0.000 1.857 0.000) 1.857 14.928 ( -0.000 -0.272 -0.000) 0.272======================= Grid point 27 (19/355) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( 18.924 -0.000 14.109) 23.605 1.797 ( 7.792 -0.000 -0.485) 7.807 2.504 ( -6.576 0.000 -2.799) 7.147 2.541 ( 0.109 -0.000 -8.264) 8.265 2.687 ( 14.427 -0.000 -4.448) 15.097 2.995 ( 2.044 -0.000 -3.378) 3.948 3.349 ( -8.790 0.000 1.604) 8.936 3.363 ( 26.403 -0.000 12.458) 29.195 3.813 ( 4.006 -0.000 -4.645) 6.134 4.319 ( 3.762 -0.000 -0.975) 3.887 4.596 ( 11.389 -0.000 6.712) 13.220 4.732 ( -1.937 0.000 0.957) 2.160 5.051 ( -9.963 0.000 -5.176) 11.227 5.146 ( 18.216 -0.000 1.756) 18.301 5.545 ( 1.289 -0.000 8.621) 8.717 5.615 ( -11.018 0.000 0.831) 11.050 5.631 ( 6.427 -0.000 6.129) 8.881 5.708 ( -6.107 0.000 4.176) 7.399 6.569 ( 5.912 -0.000 -5.968) 8.401 6.680 ( -0.826 0.000 -14.076) 14.100 6.712 ( -10.110 0.000 -3.891) 10.833 6.883 ( 3.999 -0.000 8.580) 9.466 7.227 ( -3.430 0.000 -10.833) 11.363 7.304 ( -3.262 0.000 -11.589) 12.040 7.631 ( -0.276 0.000 -7.433) 7.438 7.852 ( 0.452 -0.000 5.201) 5.221 7.980 ( 5.851 -0.000 8.815) 10.580 8.207 ( 7.528 -0.000 4.453) 8.746 8.639 ( -5.992 0.000 -2.041) 6.330 8.655 ( -7.551 0.000 -3.033) 8.138 8.874 ( -2.551 0.000 2.081) 3.292 9.430 ( 3.460 -0.000 -1.025) 3.608 9.566 ( -5.122 0.000 0.004) 5.122 9.622 ( 10.088 -0.000 -0.442) 10.097 9.955 ( -4.820 0.000 7.602) 9.001 9.997 ( 1.130 -0.000 1.074) 1.559 10.293 ( -4.490 0.000 -2.878) 5.334 11.537 ( 3.462 -0.000 5.698) 6.667 11.912 ( -10.134 0.000 -6.231) 11.896 12.065 ( 3.219 -0.000 4.695) 5.693 13.038 ( -1.204 0.000 -0.085) 1.207 13.598 ( 0.950 -0.000 -0.166) 0.964======================= Grid point 28 (20/355) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 16.807 0.622 9.778) 19.454 1.912 ( 5.003 -2.138 -1.799) 5.730 2.328 ( -10.917 0.518 0.268) 10.933 2.438 ( -6.458 -0.029 -6.674) 9.287 2.994 ( 9.434 2.050 -4.274) 10.557 3.017 ( 5.194 -1.753 -3.499) 6.503 3.257 ( -2.071 -0.316 2.137) 2.993 3.752 ( 13.621 -1.535 14.266) 19.784 3.951 ( 10.093 -1.173 -5.709) 11.654 4.386 ( 2.890 0.737 1.382) 3.287 4.592 ( -12.147 1.435 0.067) 12.232 4.754 ( 4.164 1.500 1.308) 4.615 4.886 ( -5.314 0.353 -4.921) 7.251 5.257 ( -5.838 -0.276 1.877) 6.138 5.560 ( 0.997 3.612 6.236) 7.274 5.582 ( 7.138 -0.469 0.469) 7.169 5.637 ( -2.442 -2.288 2.180) 3.994 5.805 ( 10.407 -1.195 4.868) 11.551 6.479 ( -12.787 0.803 -6.506) 14.370 6.632 ( -3.399 -1.444 -12.057) 12.610 6.686 ( 6.010 1.392 -0.540) 6.193 6.941 ( 0.921 1.224 5.719) 5.921 7.173 ( -0.023 0.219 -1.619) 1.634 7.234 ( -3.668 -1.199 -9.338) 10.104 7.593 ( -2.089 1.168 -3.861) 4.542 7.904 ( 3.690 -1.948 5.094) 6.585 8.144 ( 9.484 1.460 4.624) 10.651 8.346 ( 5.911 -2.075 1.892) 6.544 8.525 ( -5.630 -1.535 -1.383) 5.997 8.565 ( -1.616 -0.323 -1.934) 2.541 8.798 ( -5.211 1.007 2.703) 5.956 9.347 ( -8.596 0.899 -1.306) 8.741 9.557 ( 1.747 4.610 2.527) 5.539 9.775 ( 5.197 -2.034 -2.266) 6.023 9.918 ( -0.681 -2.410 2.696) 3.680 10.032 ( 2.180 0.074 0.215) 2.192 10.238 ( 0.341 0.312 -0.926) 1.035 11.575 ( -2.276 -0.543 -0.507) 2.394 11.739 ( -4.643 2.098 -0.677) 5.140 12.128 ( 2.623 -1.448 2.555) 3.938 13.017 ( -0.794 -0.103 0.128) 0.811 13.611 ( 0.405 -0.213 -0.204) 0.501======================= Grid point 29 (21/355) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( -1.555 1.149 1.617) 2.520 2.014 ( 4.957 -0.565 -1.447) 5.195 2.217 ( 6.392 -0.680 5.807) 8.663 2.316 ( -5.136 0.657 -5.988) 7.916 3.015 ( -1.799 0.109 -0.563) 1.889 3.129 ( -0.437 -0.452 1.388) 1.523 3.255 ( 2.220 0.128 0.160) 2.230 3.983 ( 6.186 -1.790 12.171) 13.769 4.097 ( 3.990 -1.509 -8.414) 9.434 4.352 ( -7.210 2.034 -1.081) 7.569 4.404 ( -1.259 1.133 4.770) 5.062 4.714 ( -7.113 -0.404 -6.717) 9.791 4.828 ( -1.004 0.020 -0.670) 1.207 5.198 ( 1.167 0.384 -0.541) 1.343 5.538 ( -2.391 1.599 2.923) 4.101 5.639 ( 1.765 -0.761 1.937) 2.729 5.678 ( 0.811 0.085 1.121) 1.386 6.009 ( 6.681 -0.859 -0.168) 6.738 6.252 ( -6.624 0.638 -2.840) 7.236 6.553 ( -4.971 -3.656 -9.426) 11.266 6.765 ( 3.105 2.565 1.090) 4.172 6.930 ( -0.532 1.739 0.149) 1.825 7.161 ( -3.902 -1.932 -5.642) 7.127 7.219 ( 3.208 -0.105 11.709) 12.141 7.550 ( -1.349 0.803 -0.968) 1.845 8.005 ( 5.512 -0.479 3.262) 6.422 8.263 ( 3.540 7.715 -2.646) 8.891 8.444 ( 0.235 -7.531 -3.295) 8.223 8.488 ( 3.431 -1.847 2.682) 4.730 8.571 ( 0.676 -0.669 -1.130) 1.477 8.696 ( -3.757 1.102 3.872) 5.507 9.180 ( -8.096 -0.915 0.537) 8.165 9.543 ( 0.740 7.718 2.024) 8.013 9.816 ( -4.317 -8.472 -1.358) 9.605 9.936 ( 1.970 -0.059 -0.983) 2.202 10.048 ( -0.141 -0.051 -0.627) 0.645 10.330 ( 9.530 5.262 1.229) 10.955 11.427 ( -11.350 -5.627 -7.949) 14.956 11.750 ( 4.272 4.023 6.146) 8.498 12.185 ( 2.732 -0.412 -0.076) 2.764 13.015 ( 0.496 0.006 0.243) 0.552 13.619 ( 0.512 0.013 -0.195) 0.549======================= Grid point 30 (22/355) =======================q-point: (-0.58 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -10.239 1.906 1.021) 10.465 2.091 ( -0.713 3.073 -2.578) 4.074 2.267 ( 3.661 -1.157 -2.691) 4.689 2.457 ( 12.030 0.567 2.525) 12.305 2.923 ( -6.650 -0.784 3.525) 7.567 3.018 ( -10.835 -1.272 6.364) 12.630 3.332 ( 5.481 2.438 -1.030) 6.087 3.907 ( -10.334 2.162 -0.597) 10.575 4.042 ( -7.837 -0.672 -4.281) 8.955 4.345 ( -4.233 1.595 7.941) 9.139 4.475 ( 12.892 -1.999 0.902) 13.078 4.525 ( -12.134 -4.484 -12.391) 17.913 4.845 ( 2.955 -0.807 3.368) 4.553 5.246 ( 1.076 -0.349 -2.734) 2.958 5.457 ( -6.261 -0.883 -0.746) 6.367 5.608 ( -3.334 0.552 0.140) 3.382 5.726 ( 4.627 1.829 0.887) 5.053 5.905 ( -9.951 1.093 -7.453) 12.480 6.366 ( 9.995 -1.695 2.498) 10.441 6.484 ( -2.691 -5.519 -4.877) 7.841 6.776 ( -0.675 1.972 0.216) 2.095 6.915 ( -0.066 2.339 1.610) 2.840 7.110 ( -1.957 -2.790 0.928) 3.532 7.298 ( 3.847 0.357 16.701) 17.142 7.541 ( 0.640 0.334 2.342) 2.450 8.096 ( 3.651 3.234 0.129) 4.879 8.214 ( -2.710 6.715 -7.116) 10.153 8.413 ( -5.131 -0.497 -1.317) 5.321 8.558 ( 0.402 -1.363 1.449) 2.029 8.621 ( 4.061 -5.436 -3.834) 7.794 8.708 ( 4.941 2.358 4.157) 6.875 9.085 ( -3.271 -6.142 2.100) 7.269 9.529 ( 1.278 6.055 1.500) 6.368 9.727 ( -7.486 -4.755 0.460) 8.880 9.965 ( 0.044 -1.752 -2.138) 2.764 10.043 ( -0.339 -0.155 -1.525) 1.570 10.483 ( 9.922 10.859 1.170) 14.756 11.257 ( -9.710 -11.502 -7.602) 16.864 11.822 ( 4.588 3.489 6.023) 8.337 12.236 ( 3.025 1.437 -2.788) 4.358 13.030 ( 0.912 0.276 0.164) 0.967 13.639 ( 2.152 0.615 -0.105) 2.240======================= Grid point 31 (23/355) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -8.260 6.277 -1.008) 10.424 1.964 ( -8.750 4.220 -1.229) 9.792 2.381 ( 3.080 0.203 -0.158) 3.091 2.547 ( -2.448 -3.715 -0.624) 4.493 2.720 ( -15.221 0.097 9.383) 17.881 2.961 ( 5.629 -0.317 4.878) 7.455 3.384 ( -0.228 6.206 -4.043) 7.411 3.675 ( -10.847 4.464 -7.804) 14.089 3.866 ( -8.450 0.835 3.287) 9.105 4.255 ( -6.787 -1.686 8.847) 11.277 4.313 ( -9.582 -6.751 -14.005) 18.263 4.654 ( 2.950 -2.789 0.809) 4.139 4.995 ( 10.929 -1.898 4.180) 11.853 5.093 ( -17.697 -2.538 -1.161) 17.915 5.320 ( -6.997 -2.822 -5.040) 9.073 5.668 ( 0.387 2.108 -3.974) 4.515 5.683 ( 2.010 1.539 -3.503) 4.322 5.837 ( 2.456 -0.399 -3.870) 4.601 6.421 ( 0.213 -2.791 -1.197) 3.045 6.614 ( 7.775 -4.035 1.892) 8.962 6.731 ( -2.455 0.457 -0.754) 2.609 6.899 ( -0.784 3.098 5.734) 6.565 7.121 ( 0.778 -2.838 7.015) 7.607 7.396 ( 5.131 0.880 17.337) 18.102 7.571 ( 2.123 0.227 6.185) 6.543 8.079 ( -2.781 5.972 -4.099) 7.759 8.108 ( -3.432 6.594 -8.554) 11.333 8.296 ( -5.819 1.064 -0.771) 5.965 8.605 ( 2.141 -3.238 1.344) 4.108 8.681 ( 0.643 -6.560 -2.856) 7.184 8.814 ( 6.868 5.510 2.926) 9.279 9.122 ( 1.797 -9.358 1.768) 9.692 9.487 ( -5.521 1.117 3.269) 6.512 9.650 ( 0.465 0.973 -2.590) 2.806 9.949 ( -2.376 -2.424 -2.013) 3.946 10.036 ( -0.248 -0.246 -2.610) 2.633 10.576 ( 6.207 12.493 -0.076) 13.950 11.183 ( -4.589 -14.363 -5.225) 15.958 11.891 ( 3.531 2.379 5.111) 6.652 12.273 ( 2.319 3.076 -4.661) 6.047 13.035 ( -0.718 -0.022 -0.051) 0.720 13.706 ( 6.236 2.900 0.029) 6.877======================= Grid point 32 (24/355) =======================q-point: (-0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -9.335 13.656 -2.880) 16.790 1.730 ( -13.726 5.293 0.314) 14.715 2.200 ( -18.763 -0.687 7.678) 20.284 2.508 ( -9.998 -8.568 3.918) 13.737 2.565 ( 0.140 1.938 -3.039) 3.607 3.012 ( -12.217 5.937 -7.116) 15.335 3.145 ( -3.839 11.014 -1.391) 11.747 3.576 ( -0.680 0.060 0.370) 0.776 3.773 ( -1.062 1.966 3.541) 4.187 4.113 ( -9.333 -11.709 -3.569) 15.393 4.262 ( 0.491 -0.282 -0.412) 0.701 4.650 ( -5.910 -2.535 2.437) 6.877 4.687 ( -21.416 -1.831 -0.138) 21.494 5.141 ( -2.667 -1.614 -2.231) 3.833 5.294 ( 5.574 -6.051 -5.651) 9.981 5.576 ( -0.489 2.351 -4.420) 5.030 5.780 ( -0.814 -4.471 -7.830) 9.054 5.956 ( 11.734 1.771 -0.815) 11.895 6.474 ( 3.927 2.090 3.759) 5.824 6.688 ( 0.501 -3.355 3.461) 4.846 6.761 ( 3.558 -2.749 0.077) 4.497 6.859 ( -1.989 3.288 7.247) 8.203 7.158 ( 0.144 -2.536 8.026) 8.418 7.482 ( 2.318 1.983 13.979) 14.308 7.612 ( 0.495 0.928 10.538) 10.590 7.959 ( -5.003 4.497 -8.604) 10.921 8.020 ( -1.353 5.700 -7.653) 9.638 8.226 ( 0.422 2.259 3.568) 4.244 8.604 ( -5.224 -8.977 -4.224) 11.212 8.755 ( 3.096 -4.457 2.384) 5.927 8.908 ( 5.351 5.215 3.785) 8.376 9.210 ( 2.721 -6.077 0.958) 6.727 9.361 ( -5.750 0.777 1.304) 5.947 9.705 ( 4.672 -0.337 -5.214) 7.009 9.909 ( -2.967 -3.199 -2.216) 4.893 10.032 ( -0.192 -1.073 -3.879) 4.029 10.598 ( 2.341 8.754 -1.128) 9.132 11.211 ( 0.582 -10.744 -1.965) 10.938 11.927 ( 0.649 1.983 2.603) 3.336 12.279 ( 0.311 2.454 -4.396) 5.044 12.989 ( -4.751 -1.053 -0.320) 4.877 13.859 ( 13.266 8.138 0.173) 15.564======================= Grid point 33 (25/355) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -10.476 19.031 -0.799) 21.738 1.368 ( -20.988 8.830 2.162) 22.872 1.844 ( -19.335 -3.032 9.105) 21.585 2.214 ( -28.533 18.312 -13.937) 36.657 2.374 ( -11.658 -6.445 -3.527) 13.780 2.782 ( -0.978 -0.613 2.341) 2.610 3.155 ( 2.682 5.548 -0.083) 6.162 3.572 ( 0.136 -1.956 2.817) 3.432 3.761 ( -1.745 0.432 1.996) 2.686 4.039 ( -5.394 -8.241 -1.777) 10.008 4.168 ( -14.596 -3.771 3.563) 15.490 4.422 ( 1.895 1.884 -7.496) 7.958 4.571 ( -5.703 -2.049 4.517) 7.558 5.047 ( -5.916 -2.227 -4.149) 7.561 5.421 ( 3.597 -5.582 -5.945) 8.913 5.606 ( 4.116 3.299 -3.548) 6.357 5.778 ( -0.028 -5.356 -7.648) 9.337 6.161 ( 9.241 1.512 0.778) 9.396 6.513 ( 1.108 3.419 7.594) 8.401 6.755 ( 2.746 -0.846 7.956) 8.459 6.806 ( 1.068 -0.145 6.196) 6.289 6.872 ( 5.043 -2.422 -1.275) 5.738 7.142 ( -3.767 -1.613 5.995) 7.262 7.488 ( -0.945 2.353 9.749) 10.073 7.549 ( -6.806 2.206 8.074) 10.787 7.861 ( -4.114 -0.620 -6.884) 8.044 7.981 ( -0.568 3.775 -4.929) 6.235 8.311 ( 8.338 1.782 7.661) 11.463 8.534 ( -5.802 -9.784 -5.369) 12.578 8.807 ( 0.547 -0.885 1.651) 1.951 8.944 ( -0.491 0.603 6.428) 6.475 9.269 ( -0.945 1.040 -4.749) 4.953 9.329 ( 5.430 -1.570 2.404) 6.143 9.798 ( 4.718 -2.108 -6.043) 7.951 9.869 ( -3.314 -4.948 -3.350) 6.833 10.031 ( -0.867 -3.736 -5.439) 6.655 10.580 ( -0.503 4.430 -0.989) 4.567 11.305 ( 5.134 -4.409 0.953) 6.834 11.877 ( -4.956 2.987 -1.460) 5.968 12.261 ( -1.763 -2.257 -2.056) 3.526 12.859 ( -9.547 -1.595 -0.459) 9.690 14.130 ( 21.913 15.221 0.383) 26.684======================= Grid point 34 (26/355) =======================q-point: (-0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.768 ( -13.838 18.072 7.054) 23.829 0.867 ( -24.105 14.127 3.705) 28.184 1.492 ( -21.581 27.914 -10.042) 36.685 1.575 ( -16.349 0.390 -1.690) 16.441 2.177 ( -10.195 -0.744 -0.872) 10.259 2.814 ( 0.019 -8.424 1.815) 8.617 3.184 ( 3.493 4.832 -0.819) 6.018 3.602 ( 0.723 0.263 3.459) 3.543 3.652 ( -8.591 -0.943 0.414) 8.652 3.894 ( -5.989 -3.362 3.428) 7.677 4.141 ( 5.196 -7.650 -7.324) 11.796 4.447 ( -2.315 -0.098 2.735) 3.585 4.533 ( 2.633 1.601 -2.630) 4.051 4.961 ( -3.097 -0.541 -2.315) 3.905 5.448 ( -3.191 -2.883 -2.942) 5.211 5.681 ( 5.937 4.078 -2.209) 7.534 5.820 ( 2.131 -3.448 -6.253) 7.452 6.268 ( 3.874 1.581 0.696) 4.242 6.504 ( -2.226 0.064 11.545) 11.758 6.803 ( 4.613 2.850 8.210) 9.839 6.887 ( 3.985 -2.493 3.494) 5.857 6.997 ( 4.850 -2.120 -0.561) 5.323 7.063 ( -4.291 -1.139 5.196) 6.835 7.385 ( -11.144 -2.525 4.871) 12.421 7.462 ( -1.085 1.712 5.730) 6.078 7.740 ( -10.934 -3.665 -7.149) 13.568 7.929 ( -2.045 2.549 -3.738) 4.965 8.443 ( 1.106 -1.102 9.274) 9.404 8.542 ( 5.612 -5.595 -6.273) 10.107 8.799 ( 0.032 3.478 -0.841) 3.579 8.910 ( -3.743 -0.262 7.967) 8.806 9.273 ( 3.989 0.130 -5.440) 6.747 9.451 ( 5.618 0.801 -0.779) 5.728 9.809 ( -5.217 -3.290 -1.998) 6.483 9.897 ( 3.274 -6.732 -7.189) 10.379 10.021 ( -2.939 -6.649 -5.052) 8.852 10.535 ( -2.148 2.186 0.393) 3.090 11.433 ( 6.521 3.249 2.306) 7.641 11.731 ( -6.838 2.082 -2.545) 7.587 12.200 ( -8.940 -8.006 -1.421) 12.084 12.674 ( -8.368 1.170 -0.079) 8.450 14.539 ( 29.987 16.846 0.730) 34.403======================= Grid point 35 (27/355) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.349 ( 0.000 15.796 0.000) 15.796 0.548 ( 0.000 26.017 0.000) 26.017 1.032 ( 0.000 48.833 0.000) 48.833 1.470 ( -0.000 -10.730 -0.000) 10.730 2.058 ( 0.000 3.515 0.000) 3.515 2.860 ( -0.000 -9.984 -0.000) 9.984 3.204 ( 0.000 5.271 0.000) 5.271 3.531 ( -0.000 -2.080 -0.000) 2.080 3.626 ( 0.000 3.077 0.000) 3.077 3.868 ( -0.000 -3.759 -0.000) 3.759 4.346 ( -0.000 -17.619 -0.000) 17.619 4.398 ( 0.000 0.350 0.000) 0.350 4.549 ( 0.000 4.234 0.000) 4.234 4.940 ( 0.000 0.408 0.000) 0.408 5.362 ( 0.000 3.930 0.000) 3.930 5.727 ( 0.000 5.769 0.000) 5.769 5.860 ( -0.000 -3.302 -0.000) 3.302 6.368 ( 0.000 2.886 0.000) 2.886 6.422 ( -0.000 -3.031 -0.000) 3.031 6.891 ( -0.000 -0.073 -0.000) 0.073 6.959 ( -0.000 -0.730 -0.000) 0.730 6.968 ( 0.000 2.248 0.000) 2.248 7.090 ( -0.000 -1.456 -0.000) 1.456 7.199 ( -0.000 -7.504 -0.000) 7.504 7.447 ( 0.000 1.390 0.000) 1.390 7.555 ( 0.000 6.061 0.000) 6.061 7.897 ( 0.000 2.051 0.000) 2.051 8.451 ( -0.000 -1.609 -0.000) 1.609 8.655 ( -0.000 -5.222 -0.000) 5.222 8.811 ( 0.000 1.952 0.000) 1.952 8.823 ( 0.000 4.323 0.000) 4.323 9.381 ( -0.000 -4.706 -0.000) 4.706 9.533 ( 0.000 2.649 0.000) 2.649 9.700 ( -0.000 -6.431 -0.000) 6.431 9.964 ( -0.000 -2.868 -0.000) 2.868 9.980 ( -0.000 -2.403 -0.000) 2.403 10.497 ( 0.000 2.295 0.000) 2.295 11.439 ( 0.000 8.517 0.000) 8.517 11.699 ( -0.000 -0.399 -0.000) 0.399 12.061 ( -0.000 -3.812 -0.000) 3.812 12.585 ( 0.000 2.924 0.000) 2.924 14.924 ( -0.000 -0.474 -0.000) 0.474======================= Grid point 40 (28/355) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( -2.739 0.000 2.140) 3.477 2.011 ( 6.713 -0.000 -2.022) 7.011 2.213 ( 6.996 -0.000 6.473) 9.531 2.320 ( -5.602 0.000 -6.626) 8.676 3.015 ( -2.080 0.000 -0.493) 2.137 3.127 ( -0.457 0.000 1.480) 1.549 3.256 ( 2.553 -0.000 0.120) 2.556 3.973 ( 6.392 -0.000 13.406) 14.852 4.089 ( 4.910 -0.000 -8.886) 10.152 4.364 ( -8.200 0.000 -1.163) 8.283 4.409 ( -1.310 0.000 5.399) 5.556 4.712 ( -8.034 0.000 -7.835) 11.222 4.828 ( -1.120 0.000 -0.869) 1.417 5.200 ( 1.423 -0.000 -0.580) 1.537 5.548 ( -3.455 0.000 3.810) 5.143 5.633 ( 2.410 -0.000 1.834) 3.028 5.679 ( 1.063 -0.000 1.362) 1.728 6.004 ( 7.477 -0.000 -0.272) 7.482 6.256 ( -7.294 0.000 -3.203) 7.967 6.533 ( -5.156 0.000 -10.171) 11.403 6.778 ( 2.900 -0.000 0.467) 2.937 6.941 ( -0.541 0.000 0.075) 0.546 7.149 ( -4.148 0.000 -4.851) 6.383 7.218 ( 3.340 -0.000 11.847) 12.309 7.555 ( -1.607 0.000 -0.997) 1.891 8.003 ( 6.372 -0.000 3.548) 7.293 8.336 ( 9.005 -0.000 -1.231) 9.089 8.371 ( -3.153 0.000 -5.832) 6.630 8.479 ( 2.038 -0.000 3.577) 4.117 8.567 ( 0.764 -0.000 -0.997) 1.256 8.702 ( -4.012 0.000 4.274) 5.862 9.175 ( -8.877 0.000 0.323) 8.883 9.595 ( 0.641 -0.000 3.890) 3.942 9.760 ( -3.968 0.000 -3.229) 5.116 9.936 ( 1.745 -0.000 -0.849) 1.941 10.048 ( -0.218 0.000 -0.723) 0.755 10.359 ( 10.674 -0.000 1.444) 10.771 11.397 ( -12.239 0.000 -8.276) 14.774 11.771 ( 3.774 -0.000 6.121) 7.192 12.182 ( 3.221 -0.000 -0.102) 3.223 13.015 ( 0.572 -0.000 0.281) 0.638 13.619 ( 0.592 -0.000 -0.226) 0.633======================= Grid point 41 (29/355) =======================q-point: (-0.67 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -9.519 0.769 3.357) 10.122 2.113 ( 0.132 1.111 -4.217) 4.363 2.259 ( 3.674 -0.392 -3.405) 5.024 2.461 ( 11.687 0.206 2.053) 11.868 2.918 ( -5.978 -0.227 3.363) 6.863 3.007 ( -11.836 -0.578 7.635) 14.097 3.351 ( 6.685 1.038 -0.995) 6.838 3.917 ( -9.484 0.081 4.239) 10.388 4.039 ( -8.304 0.102 -7.839) 11.421 4.355 ( -4.301 0.331 7.656) 8.787 4.461 ( 12.800 -0.704 0.772) 12.842 4.497 ( -13.085 -1.182 -12.915) 18.423 4.839 ( 2.567 -0.286 3.296) 4.188 5.246 ( 0.054 0.121 -2.699) 2.702 5.449 ( -7.029 -0.495 0.051) 7.047 5.612 ( -2.721 0.219 0.173) 2.735 5.738 ( 5.344 0.574 0.980) 5.463 5.913 ( -10.633 0.378 -8.100) 13.372 6.359 ( 11.280 0.150 3.048) 11.686 6.438 ( -3.770 -2.796 -6.424) 7.956 6.789 ( -1.427 0.589 -1.338) 2.043 6.938 ( 0.353 1.449 2.078) 2.558 7.086 ( -2.104 -1.478 1.643) 3.051 7.300 ( 3.918 0.085 17.069) 17.513 7.544 ( 0.621 0.228 2.164) 2.263 8.120 ( 4.917 1.231 1.418) 5.264 8.274 ( -4.267 3.713 -6.756) 8.811 8.410 ( -3.128 -0.036 -4.305) 5.322 8.537 ( 2.116 -2.169 1.496) 3.379 8.578 ( 1.769 -2.015 -2.874) 3.930 8.725 ( 6.077 0.789 5.623) 8.317 9.042 ( -4.980 -2.040 2.375) 5.882 9.595 ( 0.199 6.326 1.718) 6.558 9.670 ( -5.600 -5.767 -0.037) 8.038 9.952 ( -0.374 -0.630 -1.951) 2.084 10.041 ( -0.338 -0.088 -1.579) 1.617 10.572 ( 11.829 5.163 1.858) 13.040 11.164 ( -11.950 -5.358 -8.560) 15.645 11.847 ( 3.874 1.255 5.810) 7.095 12.246 ( 3.579 0.474 -2.793) 4.565 13.032 ( 0.923 0.101 0.206) 0.951 13.644 ( 2.536 0.227 -0.152) 2.550======================= Grid point 42 (30/355) =======================q-point: (-0.58 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -6.135 3.701 4.124) 8.266 1.998 ( -8.363 2.308 -4.611) 9.825 2.397 ( 3.762 2.908 -1.364) 4.946 2.501 ( -3.706 -4.985 -2.085) 6.552 2.719 ( -17.687 -0.141 11.751) 21.235 2.960 ( 8.036 0.012 4.682) 9.301 3.449 ( 3.655 5.599 -2.706) 7.213 3.707 ( -11.686 1.900 -5.696) 13.138 3.858 ( -8.949 -2.125 0.944) 9.246 4.228 ( -14.510 -2.956 -10.035) 17.888 4.281 ( -3.426 -0.141 3.759) 5.088 4.630 ( 2.711 -1.680 1.825) 3.674 4.979 ( 11.153 -1.127 4.227) 11.980 5.070 ( -17.760 -1.683 -1.681) 17.919 5.300 ( -8.099 -1.229 -3.898) 9.072 5.676 ( 7.027 -0.029 -2.627) 7.502 5.704 ( -7.380 1.980 -6.150) 9.808 5.830 ( 3.350 -0.663 -3.586) 4.952 6.402 ( 1.836 -1.079 -1.076) 2.386 6.577 ( 7.682 -2.791 1.046) 8.240 6.735 ( -2.755 0.321 -2.312) 3.611 6.930 ( -0.760 2.487 6.078) 6.610 7.094 ( 1.083 -2.127 7.447) 7.820 7.402 ( 5.223 0.291 17.780) 18.534 7.576 ( 2.336 0.515 5.567) 6.059 8.134 ( -2.100 4.329 -0.991) 4.912 8.164 ( -4.407 3.813 -9.286) 10.963 8.308 ( -5.105 1.360 -1.498) 5.492 8.570 ( -1.405 -3.143 -2.491) 4.249 8.621 ( 2.263 -4.715 0.110) 5.231 8.866 ( 7.811 4.259 2.631) 9.278 9.040 ( 2.177 -6.298 3.659) 7.603 9.502 ( -6.603 1.555 1.974) 7.065 9.658 ( 1.665 0.476 -2.117) 2.735 9.925 ( -2.775 -1.973 -1.873) 3.886 10.033 ( -0.440 -0.254 -2.186) 2.244 10.710 ( 6.241 12.954 -0.109) 14.379 11.035 ( -4.892 -13.981 -5.359) 15.751 11.912 ( 3.074 1.489 4.959) 6.021 12.297 ( 2.332 1.480 -4.921) 5.643 13.034 ( -1.007 0.008 -0.074) 1.010 13.730 ( 7.565 1.610 -0.018) 7.734======================= Grid point 43 (31/355) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( -6.727 9.864 2.904) 12.287 1.781 ( -12.595 4.613 -2.186) 13.590 2.199 ( -17.291 0.476 6.282) 18.403 2.414 ( -14.972 -8.980 4.820) 18.112 2.589 ( 3.923 2.212 -2.323) 5.068 3.055 ( -3.717 2.665 -4.003) 6.078 3.277 ( -9.884 14.050 -7.000) 18.550 3.572 ( -2.367 -0.633 -0.138) 2.454 3.780 ( -1.006 -2.166 3.240) 4.025 4.002 ( -10.840 -8.262 -3.567) 14.089 4.260 ( 0.814 -0.085 1.550) 1.753 4.624 ( -4.182 -2.373 5.259) 7.126 4.670 ( -22.233 -1.320 -1.993) 22.361 5.125 ( -4.066 -1.465 -2.526) 5.006 5.245 ( 6.661 -3.470 -4.708) 8.864 5.599 ( -0.334 2.025 -4.144) 4.624 5.733 ( -2.182 -4.218 -8.777) 9.979 5.973 ( 11.678 1.366 -0.246) 11.760 6.498 ( 6.837 2.309 2.705) 7.707 6.652 ( 0.454 -3.345 1.938) 3.892 6.738 ( 2.444 -1.567 -0.927) 3.048 6.891 ( -2.350 2.657 8.043) 8.791 7.136 ( 0.696 -1.702 8.256) 8.458 7.497 ( 2.522 0.900 14.815) 15.055 7.622 ( 1.369 1.041 9.143) 9.303 8.011 ( -6.812 5.000 -7.732) 11.453 8.072 ( -1.878 4.281 -6.232) 7.791 8.245 ( 0.076 1.575 3.564) 3.897 8.513 ( -6.303 -8.119 -6.262) 12.036 8.705 ( 2.946 -4.639 4.140) 6.881 8.965 ( 4.813 5.387 2.451) 7.629 9.152 ( 5.224 -5.065 2.935) 7.846 9.376 ( -5.329 1.893 1.647) 5.890 9.695 ( 2.197 -1.553 -9.512) 9.886 9.880 ( -2.643 -2.235 0.469) 3.493 10.023 ( -0.728 -0.716 -2.896) 3.071 10.687 ( -0.892 8.124 -3.016) 8.711 11.104 ( 4.361 -9.430 0.264) 10.393 11.949 ( 1.042 1.938 3.208) 3.890 12.297 ( -1.216 1.133 -5.596) 5.838 12.981 ( -4.956 -0.442 -0.390) 4.991 13.928 ( 15.417 5.092 0.101) 16.237======================= Grid point 44 (32/355) =======================q-point: (-0.42 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( -11.012 13.985 4.041) 18.253 1.458 ( -17.901 9.048 -1.595) 20.121 1.824 ( -21.613 -0.625 11.831) 24.647 2.251 ( -9.899 -11.473 0.987) 15.185 2.443 ( -17.232 19.265 -17.573) 31.255 2.796 ( -6.875 3.472 -1.520) 7.851 3.194 ( -0.131 1.771 -1.953) 2.640 3.566 ( 1.923 0.817 3.624) 4.183 3.769 ( -2.951 1.061 1.626) 3.533 3.921 ( -3.511 -13.815 0.779) 14.276 4.138 ( -17.995 -2.133 3.144) 18.391 4.442 ( 3.594 1.908 -6.772) 7.900 4.551 ( -5.100 -1.761 5.999) 8.068 5.023 ( -5.516 -2.254 -4.034) 7.196 5.376 ( 4.817 -3.228 -5.736) 8.157 5.637 ( 3.775 2.426 -4.713) 6.507 5.724 ( 1.357 -4.519 -6.361) 7.920 6.175 ( 9.103 1.273 1.286) 9.281 6.555 ( 0.500 4.223 4.687) 6.328 6.735 ( 4.835 -2.223 4.682) 7.088 6.795 ( 1.985 -2.282 4.306) 5.262 6.865 ( 2.476 0.889 2.589) 3.691 7.129 ( -3.005 -0.922 5.968) 6.745 7.508 ( -1.339 1.334 10.441) 10.611 7.568 ( -7.947 1.544 7.720) 11.187 7.867 ( -5.700 1.629 -6.765) 8.995 8.022 ( -1.500 3.891 -4.852) 6.398 8.316 ( 6.791 -0.551 7.240) 9.942 8.441 ( -4.181 -7.935 -5.922) 10.747 8.779 ( 2.122 -3.829 5.163) 6.769 8.973 ( -1.120 4.299 4.005) 5.982 9.279 ( 1.110 0.904 -1.568) 2.123 9.315 ( 4.691 -0.930 1.833) 5.122 9.726 ( -1.017 -9.017 -14.672) 17.251 9.861 ( 0.250 1.117 2.794) 3.019 10.004 ( -1.658 -1.806 -3.932) 4.634 10.621 ( -2.419 3.498 -2.260) 4.816 11.264 ( 8.640 -3.353 3.093) 9.770 11.914 ( -3.898 3.812 -0.190) 5.456 12.237 ( -4.680 -2.371 -4.223) 6.735 12.851 ( -8.590 -0.167 -0.441) 8.603 14.255 ( 22.529 9.025 0.274) 24.271======================= Grid point 45 (33/355) =======================q-point: (-0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( -23.046 8.674 10.077) 26.606 1.056 ( -12.541 20.872 -1.784) 24.416 1.473 ( -16.454 -6.995 5.433) 18.686 1.908 ( -14.907 38.723 -14.100) 43.823 2.138 ( -8.225 -6.883 -1.140) 10.786 2.741 ( -1.946 -5.252 0.990) 5.688 3.214 ( 2.961 0.112 -1.562) 3.350 3.613 ( -1.172 1.777 2.077) 2.974 3.644 ( -6.093 -0.633 2.956) 6.802 3.856 ( -6.860 -3.797 4.401) 8.992 4.018 ( 1.741 -14.720 -6.007) 15.994 4.451 ( -3.329 0.884 3.072) 4.616 4.556 ( 5.019 2.508 -2.299) 6.064 4.951 ( -2.634 -1.488 -2.158) 3.716 5.436 ( 0.557 0.275 -3.470) 3.525 5.711 ( 6.183 0.750 -4.978) 7.973 5.797 ( 3.916 -0.015 -3.334) 5.143 6.280 ( 3.183 0.665 1.764) 3.699 6.512 ( -3.708 1.324 6.626) 7.708 6.822 ( 4.926 0.838 6.147) 7.922 6.864 ( 4.313 -1.768 4.632) 6.571 6.979 ( 6.014 -1.468 -1.737) 6.430 7.054 ( -4.913 -0.563 3.939) 6.322 7.352 ( -14.897 -3.252 2.773) 15.498 7.479 ( -1.355 1.567 6.543) 6.863 7.731 ( -7.784 0.936 -4.983) 9.289 7.959 ( -2.178 3.105 -3.584) 5.219 8.420 ( -0.020 -2.846 2.942) 4.093 8.489 ( 6.838 -4.843 -0.183) 8.381 8.827 ( 1.602 1.547 2.378) 3.259 8.923 ( -2.110 3.105 6.430) 7.446 9.267 ( 1.569 -0.966 -2.748) 3.308 9.458 ( 6.660 0.540 -1.438) 6.835 9.712 ( -5.846 -11.854 -7.929) 15.413 9.882 ( 2.718 1.031 -1.842) 3.441 9.976 ( -2.075 -3.013 -2.852) 4.639 10.559 ( -2.303 2.237 -0.595) 3.265 11.459 ( 10.322 1.741 4.416) 11.361 11.768 ( -7.493 4.948 -2.669) 9.367 12.129 ( -9.188 -6.069 -2.922) 11.392 12.691 ( -6.499 1.908 -0.009) 6.773 14.658 ( 23.142 7.458 0.466) 24.318======================= Grid point 46 (34/355) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 0.000 13.744 0.000) 13.744 0.813 ( 0.000 24.940 0.000) 24.940 1.356 ( -0.000 -10.824 -0.000) 10.824 1.528 ( 0.000 46.883 0.000) 46.883 2.070 ( -0.000 -1.677 -0.000) 1.677 2.760 ( -0.000 -8.673 -0.000) 8.673 3.254 ( 0.000 3.383 0.000) 3.383 3.507 ( -0.000 -2.446 -0.000) 2.446 3.653 ( 0.000 2.242 0.000) 2.242 3.826 ( -0.000 -4.322 -0.000) 4.322 4.148 ( -0.000 -19.853 -0.000) 19.853 4.407 ( 0.000 1.445 0.000) 1.445 4.592 ( 0.000 3.824 0.000) 3.824 4.936 ( -0.000 -1.190 -0.000) 1.190 5.408 ( 0.000 4.795 0.000) 4.795 5.794 ( 0.000 6.920 0.000) 6.920 5.822 ( -0.000 -3.860 -0.000) 3.860 6.382 ( -0.000 -4.548 -0.000) 4.548 6.400 ( 0.000 3.116 0.000) 3.116 6.895 ( 0.000 0.813 0.000) 0.813 6.953 ( -0.000 -0.566 -0.000) 0.566 6.990 ( 0.000 1.902 0.000) 1.902 7.074 ( -0.000 -1.424 -0.000) 1.424 7.122 ( -0.000 -7.123 -0.000) 7.123 7.462 ( 0.000 1.444 0.000) 1.444 7.614 ( 0.000 5.242 0.000) 5.242 7.921 ( 0.000 2.596 0.000) 2.596 8.432 ( -0.000 -1.899 -0.000) 1.899 8.596 ( -0.000 -6.030 -0.000) 6.030 8.835 ( 0.000 2.608 0.000) 2.608 8.872 ( 0.000 5.213 0.000) 5.213 9.330 ( -0.000 -4.983 -0.000) 4.983 9.559 ( 0.000 2.262 0.000) 2.262 9.622 ( -0.000 -8.275 -0.000) 8.275 9.937 ( -0.000 -2.271 -0.000) 2.271 9.954 ( -0.000 -2.604 -0.000) 2.604 10.522 ( 0.000 2.431 0.000) 2.431 11.536 ( 0.000 9.897 0.000) 9.897 11.694 ( -0.000 -0.467 -0.000) 0.467 12.015 ( -0.000 -4.881 -0.000) 4.881 12.616 ( 0.000 3.043 0.000) 3.043 14.918 ( -0.000 -0.553 -0.000) 0.553======================= Grid point 53 (35/355) =======================q-point: (-0.67 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.645 ( -5.417 0.000 6.355) 8.350 2.010 ( -8.022 0.000 -6.408) 10.267 2.427 ( 10.475 -0.000 -1.875) 10.641 2.460 ( -10.873 0.000 -2.324) 11.118 2.718 ( -18.480 0.000 12.637) 22.388 2.960 ( 8.841 -0.000 4.550) 9.943 3.482 ( 6.127 -0.000 -1.943) 6.428 3.716 ( -12.080 0.000 -4.669) 12.951 3.842 ( -10.296 0.000 -0.245) 10.299 4.212 ( -14.372 0.000 -15.569) 21.188 4.283 ( -3.801 0.000 8.623) 9.424 4.621 ( 2.540 -0.000 2.264) 3.402 4.973 ( 11.302 -0.000 4.341) 12.107 5.061 ( -17.972 0.000 -1.947) 18.077 5.294 ( -8.404 0.000 -3.456) 9.087 5.675 ( 6.743 -0.000 -2.893) 7.337 5.715 ( -8.574 0.000 -6.626) 10.836 5.826 ( 4.179 -0.000 -3.348) 5.355 6.396 ( 2.313 -0.000 -0.800) 2.448 6.562 ( 7.784 -0.000 0.609) 7.808 6.737 ( -2.837 0.000 -2.736) 3.941 6.944 ( -0.930 0.000 5.893) 5.965 7.082 ( 1.354 -0.000 7.794) 7.910 7.403 ( 5.243 -0.000 17.872) 18.626 7.579 ( 2.420 -0.000 5.339) 5.862 8.158 ( -1.693 0.000 1.431) 2.216 8.184 ( -5.026 0.000 -9.979) 11.174 8.318 ( -4.766 0.000 -2.584) 5.422 8.551 ( -3.641 0.000 -6.126) 7.126 8.594 ( 3.760 -0.000 3.371) 5.050 8.892 ( 8.978 -0.000 2.075) 9.214 9.003 ( 1.547 -0.000 4.838) 5.080 9.512 ( -7.104 0.000 1.415) 7.243 9.660 ( 2.250 -0.000 -1.840) 2.906 9.914 ( -2.970 0.000 -1.821) 3.483 10.031 ( -0.501 0.000 -2.077) 2.137 10.810 ( 11.081 -0.000 2.529) 11.365 10.929 ( -9.833 0.000 -8.042) 12.703 11.920 ( 2.932 -0.000 4.919) 5.726 12.304 ( 2.315 -0.000 -5.015) 5.524 13.035 ( -1.100 0.000 -0.081) 1.103 13.738 ( 8.018 -0.000 -0.037) 8.018======================= Grid point 55 (36/355) =======================q-point: (-0.58 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.551 ( -5.717 3.384 7.310) 9.878 1.820 ( -10.989 2.476 -4.569) 12.156 2.207 ( -13.997 0.736 0.430) 14.023 2.338 ( -20.829 -4.573 10.539) 23.787 2.606 ( 5.896 0.903 -2.368) 6.417 3.072 ( -0.699 0.720 -2.772) 2.948 3.414 ( -13.151 10.278 -10.781) 19.870 3.563 ( 0.385 -1.141 -3.528) 3.728 3.719 ( -3.946 -6.813 6.038) 9.922 3.960 ( -10.659 -0.846 -2.348) 10.948 4.260 ( 0.764 0.018 2.688) 2.795 4.605 ( -3.694 -1.050 6.942) 7.933 4.660 ( -21.999 -0.450 -3.144) 22.227 5.113 ( -4.931 -0.605 -2.639) 5.626 5.221 ( 7.330 -1.116 -4.140) 8.492 5.615 ( -0.259 0.834 -3.783) 3.883 5.701 ( -2.713 -1.700 -9.724) 10.237 5.983 ( 11.638 0.514 0.110) 11.650 6.517 ( 9.142 1.107 2.925) 9.662 6.625 ( -0.084 -1.528 0.825) 1.738 6.728 ( 1.525 -0.503 -1.519) 2.210 6.911 ( -2.643 1.028 8.023) 8.510 7.124 ( 1.166 -0.626 8.561) 8.662 7.502 ( 2.650 0.237 15.214) 15.445 7.631 ( 1.719 0.487 8.086) 8.281 8.051 ( -7.561 2.092 -9.142) 12.047 8.105 ( -2.270 1.921 -0.519) 3.019 8.259 ( -0.546 0.840 1.487) 1.792 8.448 ( -6.555 -3.699 -8.859) 11.624 8.668 ( 2.824 -2.064 5.742) 6.723 9.012 ( 4.105 3.142 0.626) 5.207 9.108 ( 7.181 -2.906 5.158) 9.306 9.393 ( -5.037 1.146 2.416) 5.702 9.679 ( -0.322 -1.078 -12.709) 12.758 9.865 ( -1.579 -0.723 2.388) 2.953 10.018 ( -0.899 -0.253 -2.505) 2.673 10.756 ( -5.471 4.281 -5.449) 8.829 11.026 ( 9.291 -4.723 2.890) 10.816 11.964 ( 1.302 0.774 3.579) 3.886 12.304 ( -2.052 0.310 -6.261) 6.596 12.979 ( -4.973 -0.110 -0.424) 4.992 13.963 ( 16.341 1.715 0.055) 16.431======================= Grid point 56 (37/355) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -14.240 5.205 5.829) 16.243 1.558 ( -12.803 9.224 -3.336) 16.129 1.838 ( -23.625 3.509 13.027) 27.205 2.115 ( -9.104 -13.473 1.515) 16.331 2.610 ( -4.182 10.857 -12.315) 16.942 2.860 ( -12.646 8.794 -8.805) 17.742 3.190 ( -6.332 -2.370 -4.907) 8.354 3.587 ( 3.425 3.361 4.097) 6.310 3.755 ( 1.365 -9.753 -0.769) 9.878 3.799 ( -8.387 -2.792 6.794) 11.149 4.122 ( -19.065 -0.999 2.952) 19.318 4.459 ( 4.761 1.238 -6.476) 8.133 4.535 ( -4.396 -1.123 7.071) 8.401 5.003 ( -5.320 -1.489 -3.940) 6.785 5.353 ( 5.872 -1.346 -5.687) 8.285 5.648 ( 0.556 -0.391 -8.275) 8.303 5.695 ( 5.518 -0.826 -2.942) 6.307 6.186 ( 8.866 0.730 1.779) 9.072 6.594 ( -0.605 3.045 3.534) 4.704 6.716 ( 6.769 -1.255 4.076) 8.001 6.767 ( 2.709 -2.519 1.010) 3.834 6.878 ( 0.725 1.128 5.269) 5.437 7.123 ( -2.467 -0.358 6.071) 6.563 7.517 ( -1.818 0.473 11.009) 11.168 7.582 ( -8.578 1.002 6.297) 10.688 7.887 ( -7.277 1.750 -5.807) 9.473 8.056 ( -2.165 2.520 -3.022) 4.491 8.306 ( 5.075 -1.213 5.258) 7.408 8.375 ( -1.821 -4.535 -7.555) 8.998 8.742 ( 3.399 -2.767 8.194) 9.293 9.016 ( -1.342 3.402 2.712) 4.553 9.283 ( 7.929 -0.231 3.459) 8.654 9.316 ( -1.363 0.957 -0.220) 1.680 9.642 ( -3.617 -6.458 -17.092) 18.626 9.871 ( 1.441 0.770 2.874) 3.306 9.991 ( -2.006 -0.799 -3.412) 4.038 10.650 ( -3.849 1.957 -3.242) 5.399 11.237 ( 11.074 -1.809 4.554) 12.110 11.949 ( -2.735 2.696 1.132) 4.004 12.215 ( -6.721 -1.696 -6.055) 9.204 12.852 ( -7.923 0.159 -0.439) 7.937 14.322 ( 22.211 4.119 0.195) 22.591======================= Grid point 57 (38/355) =======================q-point: (-0.42 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -22.855 5.143 5.812) 24.137 1.269 ( -9.030 19.098 -1.983) 21.218 1.412 ( -19.637 -4.463 8.098) 21.705 2.038 ( -6.690 -11.703 0.408) 13.487 2.301 ( -8.412 36.179 -14.026) 39.704 2.708 ( -3.587 -1.302 0.011) 3.816 3.169 ( 0.881 -9.476 -2.935) 9.959 3.623 ( -11.822 -1.331 2.468) 12.150 3.649 ( 3.408 2.536 4.347) 6.079 3.814 ( -5.486 -4.666 7.256) 10.224 3.875 ( -1.282 -10.575 -7.472) 13.011 4.462 ( -2.958 0.966 3.594) 4.754 4.580 ( 5.893 1.878 -2.359) 6.620 4.934 ( -2.500 -1.623 -2.104) 3.649 5.446 ( 3.640 1.413 -3.782) 5.436 5.697 ( 4.910 -2.364 -7.104) 8.953 5.818 ( 6.966 2.802 -1.282) 7.617 6.282 ( 1.537 -0.201 3.525) 3.851 6.528 ( -4.984 1.498 3.555) 6.302 6.823 ( 5.530 -0.210 4.235) 6.968 6.850 ( 4.805 -1.306 4.931) 7.008 6.968 ( 6.070 -0.555 -1.223) 6.217 7.050 ( -5.165 -0.123 3.117) 6.034 7.324 ( -16.403 -2.110 0.952) 16.566 7.493 ( -1.576 1.078 6.928) 7.186 7.746 ( -6.196 1.565 -2.798) 6.976 7.990 ( -2.519 2.699 -3.157) 4.858 8.392 ( 1.144 -2.296 -2.820) 3.812 8.442 ( 6.015 -4.138 3.661) 8.167 8.833 ( 3.743 0.007 7.423) 8.313 8.966 ( -1.483 4.437 4.224) 6.303 9.259 ( -0.924 -0.429 -1.915) 2.169 9.462 ( 6.837 0.088 -2.619) 7.322 9.600 ( -3.463 -9.245 -7.901) 12.645 9.894 ( 1.101 1.042 -0.828) 1.727 9.951 ( -2.185 -1.895 -2.663) 3.931 10.579 ( -2.438 1.589 -1.228) 3.159 11.471 ( 12.453 0.645 5.665) 13.696 11.826 ( -7.198 5.713 -2.003) 9.406 12.071 ( -9.733 -5.220 -4.435) 11.902 12.709 ( -5.631 1.471 -0.013) 5.820 14.711 ( 19.065 3.202 0.315) 19.334======================= Grid point 58 (39/355) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 0.000 10.711 0.000) 10.711 1.061 ( 0.000 22.616 0.000) 22.616 1.252 ( -0.000 -8.928 -0.000) 8.928 1.999 ( 0.000 43.997 0.000) 43.997 2.017 ( -0.000 -8.519 -0.000) 8.519 2.690 ( -0.000 -4.562 -0.000) 4.562 3.249 ( -0.000 -5.775 -0.000) 5.775 3.482 ( -0.000 -2.263 -0.000) 2.263 3.673 ( 0.000 1.597 0.000) 1.597 3.782 ( -0.000 -3.998 -0.000) 3.998 3.956 ( -0.000 -15.944 -0.000) 15.944 4.425 ( 0.000 1.759 0.000) 1.759 4.626 ( 0.000 2.764 0.000) 2.764 4.919 ( -0.000 -1.771 -0.000) 1.771 5.458 ( 0.000 4.599 0.000) 4.599 5.783 ( -0.000 -3.675 -0.000) 3.675 5.866 ( 0.000 6.796 0.000) 6.796 6.330 ( -0.000 -5.373 -0.000) 5.373 6.430 ( 0.000 2.662 0.000) 2.662 6.907 ( 0.000 1.435 0.000) 1.435 6.948 ( -0.000 -0.246 -0.000) 0.246 7.005 ( 0.000 0.725 0.000) 0.725 7.056 ( -0.000 -5.379 -0.000) 5.379 7.061 ( -0.000 -1.072 -0.000) 1.072 7.476 ( 0.000 1.151 0.000) 1.151 7.661 ( 0.000 3.865 0.000) 3.865 7.949 ( 0.000 2.611 0.000) 2.611 8.413 ( -0.000 -1.699 -0.000) 1.699 8.534 ( -0.000 -5.670 -0.000) 5.670 8.864 ( 0.000 2.751 0.000) 2.751 8.928 ( 0.000 5.397 0.000) 5.397 9.280 ( -0.000 -4.550 -0.000) 4.550 9.536 ( -0.000 -8.028 -0.000) 8.028 9.579 ( 0.000 1.735 0.000) 1.735 9.917 ( -0.000 -1.491 -0.000) 1.491 9.928 ( -0.000 -2.172 -0.000) 2.172 10.545 ( 0.000 1.960 0.000) 1.960 11.639 ( 0.000 9.789 0.000) 9.789 11.689 ( -0.000 -0.410 -0.000) 0.410 11.960 ( -0.000 -5.729 -0.000) 5.729 12.645 ( 0.000 2.423 0.000) 2.423 14.913 ( -0.000 -0.484 -0.000) 0.484======================= Grid point 67 (40/355) =======================q-point: (-0.58 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( -15.458 0.000 5.038) 16.259 1.612 ( -11.433 0.000 -0.781) 11.460 1.877 ( -25.741 0.000 11.182) 28.065 2.020 ( -7.132 0.000 2.121) 7.441 2.662 ( 0.377 -0.000 -8.490) 8.498 2.926 ( -10.778 0.000 -13.651) 17.393 3.167 ( -12.940 0.000 -6.951) 14.689 3.633 ( 5.144 -0.000 -0.076) 5.144 3.658 ( -0.280 0.000 8.967) 8.971 3.798 ( -7.618 0.000 3.983) 8.596 4.117 ( -19.325 0.000 2.901) 19.542 4.466 ( 5.259 -0.000 -6.487) 8.351 4.529 ( -4.166 0.000 7.574) 8.644 4.995 ( -5.269 0.000 -3.907) 6.559 5.346 ( 6.290 -0.000 -5.683) 8.477 5.643 ( -0.664 0.000 -9.470) 9.493 5.694 ( 7.084 -0.000 -1.827) 7.316 6.190 ( 8.754 -0.000 1.978) 8.974 6.611 ( -1.533 0.000 3.321) 3.657 6.710 ( 8.531 -0.000 4.397) 9.597 6.752 ( 2.210 -0.000 -0.398) 2.246 6.884 ( 0.313 -0.000 5.796) 5.805 7.121 ( -2.267 0.000 6.140) 6.545 7.519 ( -2.044 0.000 11.185) 11.370 7.587 ( -8.760 0.000 5.610) 10.402 7.897 ( -8.046 0.000 -5.267) 9.616 8.070 ( -2.405 0.000 -1.636) 2.909 8.298 ( 4.127 -0.000 4.139) 5.845 8.351 ( -0.460 0.000 -8.865) 8.876 8.727 ( 3.934 -0.000 9.538) 10.317 9.035 ( -1.438 0.000 2.221) 2.645 9.280 ( 10.272 -0.000 4.866) 11.366 9.323 ( -3.394 0.000 0.305) 3.408 9.606 ( -4.354 0.000 -18.610) 19.113 9.875 ( 1.686 -0.000 2.843) 3.305 9.987 ( -2.116 0.000 -3.274) 3.898 10.660 ( -4.396 0.000 -3.624) 5.697 11.228 ( 11.957 -0.000 5.084) 12.993 11.964 ( -2.143 0.000 1.822) 2.813 12.206 ( -7.568 0.000 -6.906) 10.245 12.853 ( -7.695 0.000 -0.441) 7.708 14.343 ( 22.012 -0.000 0.168) 22.013======================= Grid point 69 (41/355) =======================q-point: (-0.50 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( -21.492 1.791 2.152) 21.673 1.369 ( -17.619 -0.875 10.364) 20.460 1.442 ( -12.130 9.480 -2.214) 15.553 1.924 ( -6.023 -7.985 1.463) 10.108 2.613 ( -0.388 16.973 -14.154) 22.103 2.732 ( -5.431 10.399 -2.352) 11.965 3.016 ( -5.090 -18.322 -2.274) 19.152 3.601 ( -11.530 -1.741 6.544) 13.371 3.676 ( 1.733 1.963 4.608) 5.300 3.765 ( 2.191 -3.192 2.166) 4.437 3.819 ( -7.895 -1.900 -4.361) 9.217 4.469 ( -2.581 0.382 4.178) 4.925 4.593 ( 6.152 0.681 -2.559) 6.698 4.921 ( -2.437 -0.696 -2.097) 3.289 5.459 ( 5.368 0.749 -3.877) 6.664 5.677 ( 4.487 -1.147 -7.292) 8.638 5.840 ( 8.426 1.245 -1.278) 8.613 6.279 ( 0.089 -0.226 4.737) 4.744 6.540 ( -5.628 0.651 2.042) 6.023 6.824 ( 5.750 0.399 4.411) 7.258 6.836 ( 5.408 -1.189 3.428) 6.513 6.966 ( 5.821 -0.036 -0.241) 5.826 7.050 ( -5.304 0.008 2.705) 5.954 7.309 ( -16.831 -0.695 -0.053) 16.845 7.501 ( -1.703 0.382 7.059) 7.272 7.758 ( -5.651 0.656 -1.575) 5.903 8.010 ( -2.777 1.138 -2.809) 4.111 8.375 ( 2.198 -0.915 -5.793) 6.263 8.410 ( 5.318 -1.665 4.955) 7.457 8.832 ( 5.195 -0.089 10.048) 11.312 9.002 ( -1.227 1.978 3.879) 4.524 9.258 ( -2.809 0.197 -1.409) 3.148 9.460 ( 5.030 -0.357 -5.839) 7.715 9.531 ( -0.131 -3.475 -5.674) 6.655 9.902 ( 0.631 0.486 -0.217) 0.825 9.937 ( -2.547 -0.777 -2.980) 3.996 10.591 ( -2.520 0.570 -1.544) 3.010 11.475 ( 13.296 0.144 6.197) 14.670 11.876 ( -5.977 3.296 -0.352) 6.835 12.025 ( -10.907 -2.951 -6.392) 12.981 12.720 ( -5.265 0.540 -0.027) 5.292 14.731 ( 17.252 0.897 0.251) 17.277======================= Grid point 70 (42/355) =======================q-point: (-0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 0.000 6.302 0.000) 6.302 1.170 ( -0.000 -5.103 -0.000) 5.103 1.278 ( 0.000 16.765 0.000) 16.765 1.909 ( -0.000 -11.031 -0.000) 11.031 2.434 ( 0.000 39.751 0.000) 39.751 2.661 ( -0.000 -1.370 -0.000) 1.370 3.109 ( -0.000 -21.550 -0.000) 21.550 3.463 ( -0.000 -1.383 -0.000) 1.383 3.688 ( 0.000 1.458 0.000) 1.458 3.745 ( -0.000 -3.001 -0.000) 3.001 3.840 ( -0.000 -6.325 -0.000) 6.325 4.441 ( 0.000 1.167 0.000) 1.167 4.648 ( 0.000 1.422 0.000) 1.422 4.903 ( -0.000 -1.244 -0.000) 1.244 5.499 ( 0.000 3.063 0.000) 3.063 5.750 ( -0.000 -2.498 -0.000) 2.498 5.929 ( 0.000 4.871 0.000) 4.871 6.277 ( -0.000 -4.295 -0.000) 4.295 6.453 ( 0.000 1.585 0.000) 1.585 6.924 ( 0.000 1.757 0.000) 1.757 6.947 ( -0.000 -0.039 -0.000) 0.039 6.989 ( -0.000 -3.413 -0.000) 3.413 7.029 ( -0.000 -0.111 -0.000) 0.111 7.053 ( -0.000 -0.568 -0.000) 0.568 7.485 ( 0.000 0.631 0.000) 0.631 7.692 ( 0.000 2.067 0.000) 2.067 7.972 ( 0.000 1.769 0.000) 1.769 8.399 ( -0.000 -1.011 -0.000) 1.011 8.485 ( -0.000 -3.596 -0.000) 3.596 8.889 ( 0.000 1.938 0.000) 1.938 8.978 ( 0.000 3.873 0.000) 3.873 9.240 ( -0.000 -2.918 -0.000) 2.918 9.464 ( -0.000 -5.315 -0.000) 5.315 9.594 ( 0.000 0.970 0.000) 0.970 9.906 ( -0.000 -0.741 -0.000) 0.741 9.910 ( -0.000 -1.241 -0.000) 1.241 10.561 ( 0.000 1.082 0.000) 1.082 11.686 ( -0.000 -0.239 -0.000) 0.239 11.736 ( 0.000 8.874 0.000) 8.874 11.896 ( -0.000 -6.630 -0.000) 6.630 12.665 ( 0.000 1.328 0.000) 1.328 14.909 ( -0.000 -0.282 -0.000) 0.282======================= Grid point 82 (43/355) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 193Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.837 ( -0.000 -0.000 -0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.847 ( -0.000 -0.000 -0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.938 ( -0.000 -0.000 -0.000) 0.000 6.947 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.827 ( -0.000 -0.000 -0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 14.907 ( 0.000 0.000 0.000) 0.000======================= Grid point 151 (44/355) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( 9.697 -0.000 24.923) 26.743 0.617 ( -3.112 0.000 31.962) 32.113 0.858 ( 7.387 -0.000 44.292) 44.904 2.065 ( 0.488 -0.000 7.909) 7.924 2.129 ( -11.959 0.000 5.023) 12.971 2.938 ( 0.922 -0.000 -5.474) 5.551 3.084 ( -3.602 0.000 -5.392) 6.484 3.531 ( -3.859 0.000 -4.010) 5.565 3.765 ( 13.778 -0.000 -8.819) 16.359 3.822 ( 0.903 -0.000 -3.429) 3.546 4.131 ( 1.257 -0.000 6.817) 6.932 4.406 ( -2.667 0.000 0.177) 2.673 4.512 ( 3.074 -0.000 2.487) 3.955 4.908 ( 2.401 -0.000 -1.317) 2.738 5.319 ( 4.192 -0.000 -0.134) 4.194 5.722 ( 2.214 -0.000 5.244) 5.692 5.846 ( 5.737 -0.000 -4.102) 7.053 6.312 ( -2.528 0.000 4.870) 5.487 6.748 ( -1.389 0.000 -0.969) 1.694 6.798 ( -26.838 0.000 -2.156) 26.924 6.960 ( -0.030 0.000 2.438) 2.438 7.081 ( -10.049 0.000 -0.253) 10.052 7.102 ( -24.115 0.000 -1.785) 24.181 7.248 ( 2.274 -0.000 -4.706) 5.226 7.416 ( -3.448 0.000 -1.554) 3.782 7.877 ( 2.876 -0.000 0.901) 3.014 7.998 ( -3.267 0.000 4.424) 5.500 8.434 ( -0.333 0.000 2.221) 2.245 8.679 ( 6.643 -0.000 -5.361) 8.536 8.720 ( -1.417 0.000 -0.916) 1.687 8.899 ( -7.408 0.000 3.134) 8.044 9.323 ( 24.380 -0.000 -0.963) 24.399 9.488 ( -2.447 0.000 0.746) 2.558 9.775 ( 1.477 -0.000 0.839) 1.699 10.029 ( 3.273 -0.000 1.940) 3.804 10.129 ( 17.858 -0.000 1.319) 17.906 10.638 ( -3.726 0.000 5.244) 6.433 11.274 ( 2.514 -0.000 -6.685) 7.142 11.713 ( 5.129 -0.000 1.233) 5.276 12.510 ( -2.196 0.000 -3.609) 4.225 12.953 ( 0.197 -0.000 1.872) 1.883 13.503 ( 0.070 -0.000 -4.373) 4.373======================= Grid point 152 (45/355) =======================q-point: ( 0.08 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( 16.017 2.317 17.632) 23.933 0.741 ( 14.995 -8.967 21.230) 27.495 1.510 ( 37.950 -7.828 34.887) 52.140 1.899 ( -1.702 5.342 17.263) 18.150 2.231 ( 12.975 -3.307 8.404) 15.808 2.894 ( -3.876 7.124 -6.330) 10.288 2.997 ( -6.085 -7.094 -6.344) 11.296 3.546 ( 4.146 1.287 -7.822) 8.946 3.745 ( -3.564 6.539 -6.307) 9.759 3.883 ( 7.460 0.478 -0.333) 7.482 4.176 ( -0.046 -3.698 2.522) 4.476 4.445 ( 4.440 2.602 -6.303) 8.137 4.561 ( 0.458 -4.554 6.186) 7.695 4.991 ( 6.520 -0.050 0.287) 6.526 5.539 ( 11.305 0.824 1.169) 11.395 5.707 ( -3.106 -0.580 7.158) 7.825 5.936 ( 3.805 0.226 -1.098) 3.966 6.246 ( -5.161 0.546 3.206) 6.100 6.332 ( -9.152 -2.251 4.560) 10.470 6.663 ( -6.882 -0.553 -1.266) 7.020 6.885 ( -8.547 0.534 -5.434) 10.142 6.990 ( -0.328 1.946 -2.076) 2.864 7.020 ( 2.988 -1.727 0.236) 3.459 7.309 ( 3.538 1.421 -4.238) 5.701 7.352 ( -2.766 -1.040 -3.433) 4.529 7.949 ( 4.338 0.908 4.905) 6.611 7.999 ( 0.091 0.507 2.885) 2.931 8.372 ( -5.215 3.109 2.313) 6.497 8.721 ( 1.005 -0.886 -1.946) 2.363 8.788 ( 2.241 2.666 -1.330) 3.728 8.828 ( 3.589 1.180 0.444) 3.804 9.375 ( -4.341 0.824 -1.793) 4.769 9.407 ( -5.604 -0.173 -2.280) 6.053 9.759 ( -2.565 -1.785 0.992) 3.279 10.077 ( 1.422 0.687 4.811) 5.063 10.436 ( 4.184 -1.312 -4.161) 6.044 10.505 ( -5.366 9.013 1.547) 10.603 11.343 ( 4.010 -0.997 -3.881) 5.669 11.848 ( 7.975 1.493 5.429) 9.763 12.381 ( -8.445 3.466 -4.652) 10.246 12.925 ( 6.471 18.368 4.667) 20.026 13.602 ( -4.569 -32.240 -9.396) 33.891======================= Grid point 153 (46/355) =======================q-point: ( 0.17 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.019 ( 18.179 -1.210 16.482) 24.568 1.183 ( 23.324 -8.896 5.383) 25.536 1.936 ( 8.732 3.209 10.552) 14.067 2.330 ( 33.674 -5.791 23.786) 41.633 2.513 ( 11.316 -2.561 6.798) 13.447 2.773 ( -0.784 5.568 -3.333) 6.537 2.924 ( -4.864 -8.478 -5.333) 11.135 3.556 ( -0.252 4.619 -9.961) 10.983 3.684 ( -1.510 0.247 -8.229) 8.370 4.150 ( 9.500 1.215 -1.782) 9.742 4.173 ( 9.755 1.114 2.928) 10.246 4.521 ( 5.704 2.742 -5.105) 8.131 4.611 ( 3.294 -1.984 9.529) 10.275 5.124 ( 6.430 0.570 0.934) 6.523 5.582 ( -4.466 0.494 1.165) 4.642 5.694 ( 0.608 5.073 6.278) 8.094 5.978 ( -0.070 -1.207 4.068) 4.244 6.127 ( -6.459 1.443 -0.469) 6.635 6.301 ( 0.821 -5.641 -1.457) 5.884 6.519 ( -7.341 -1.553 -7.800) 10.823 6.799 ( 0.633 1.273 -0.872) 1.667 6.935 ( -3.951 0.763 -1.980) 4.485 7.087 ( 2.452 1.570 -3.857) 4.832 7.286 ( -2.518 -0.549 -4.948) 5.579 7.388 ( 4.022 -0.514 -4.122) 5.782 7.979 ( -1.585 -2.536 3.747) 4.794 8.054 ( 5.859 1.888 8.238) 10.284 8.240 ( -6.440 0.409 4.129) 7.661 8.741 ( 0.112 -1.151 -1.945) 2.263 8.818 ( 2.721 4.811 1.440) 5.712 8.884 ( 1.132 2.503 -1.178) 2.989 9.300 ( -2.886 1.343 -4.500) 5.512 9.320 ( -0.779 0.806 -1.334) 1.742 9.715 ( -3.503 -2.892 -0.914) 4.634 10.078 ( -1.227 1.131 6.008) 6.236 10.319 ( -5.931 8.448 1.983) 10.511 10.465 ( -3.858 -6.246 -0.584) 7.364 11.414 ( 4.640 4.408 -0.872) 6.459 11.956 ( 2.919 5.872 3.729) 7.544 12.223 ( -6.482 -5.715 -4.110) 9.569 12.988 ( 5.385 6.867 1.951) 8.942 13.627 ( -4.673 -17.410 -6.462) 19.150======================= Grid point 154 (47/355) =======================q-point: ( 0.25 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 16.352 -1.532 15.107) 22.315 1.626 ( 16.872 -7.192 3.010) 18.586 2.134 ( 14.217 2.831 -0.433) 14.503 2.513 ( -5.314 0.841 -2.394) 5.889 2.654 ( -0.634 -2.997 0.139) 3.066 2.916 ( 3.477 -1.668 0.039) 3.857 3.174 ( 29.190 -6.052 20.771) 36.333 3.508 ( -2.343 -0.803 -5.495) 6.028 3.649 ( -0.117 0.924 -9.597) 9.642 4.135 ( 1.517 3.238 -7.385) 8.205 4.521 ( 11.629 3.402 9.462) 15.373 4.628 ( 8.030 1.733 -4.200) 9.226 4.785 ( 16.896 1.098 4.477) 17.513 5.147 ( -6.602 -0.237 -1.404) 6.753 5.501 ( 0.538 5.342 -3.141) 6.220 5.665 ( -0.117 4.478 7.624) 8.843 5.907 ( -10.493 -2.385 2.330) 11.010 5.981 ( -7.628 -1.379 2.835) 8.254 6.398 ( 6.715 -1.591 2.139) 7.225 6.448 ( -0.548 -4.606 -12.708) 13.529 6.792 ( -6.537 2.401 -4.387) 8.231 6.889 ( 4.130 0.819 4.982) 6.523 7.087 ( 0.245 2.125 -4.332) 4.831 7.239 ( -2.630 -1.052 -4.633) 5.430 7.461 ( 3.606 1.241 -3.768) 5.361 7.982 ( -0.341 -5.115 3.900) 6.441 8.115 ( 0.390 1.960 9.138) 9.353 8.232 ( 5.108 -2.216 7.336) 9.210 8.717 ( -3.576 -2.072 -1.608) 4.434 8.743 ( -7.483 1.124 -3.425) 8.306 8.900 ( 2.034 5.309 4.169) 7.050 9.294 ( 3.077 1.088 -6.945) 7.674 9.343 ( 4.169 6.093 -1.455) 7.525 9.656 ( -3.806 -2.840 -1.587) 5.007 10.043 ( -1.937 0.933 4.017) 4.556 10.187 ( -4.407 4.736 3.132) 7.187 10.407 ( -6.110 -8.862 -0.767) 10.791 11.474 ( 5.193 8.165 1.574) 9.804 11.874 ( -6.516 4.470 -5.779) 9.789 12.212 ( -0.789 -9.062 2.019) 9.317 13.038 ( 2.016 1.977 1.086) 3.025 13.616 ( -2.516 -7.811 -4.107) 9.176======================= Grid point 155 (48/355) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 10.284 2.924 7.747) 13.204 1.902 ( 9.103 -8.105 7.682) 14.408 2.362 ( -0.343 -0.078 -2.889) 2.911 2.459 ( 6.010 -1.383 -6.626) 9.052 2.620 ( 1.019 -1.891 -3.815) 4.378 2.969 ( 2.243 1.751 3.277) 4.340 3.393 ( -3.267 -1.548 2.623) 4.466 3.678 ( 4.769 1.420 -9.436) 10.668 3.786 ( 21.943 -7.477 15.256) 27.752 4.181 ( 6.047 5.298 -7.257) 10.830 4.603 ( 2.076 5.655 0.561) 6.050 4.757 ( 4.685 0.739 4.402) 6.471 4.909 ( -14.676 0.178 -5.677) 15.737 5.168 ( 19.580 1.600 1.585) 19.709 5.528 ( 3.770 7.649 1.210) 8.613 5.641 ( -10.817 -2.286 -0.111) 11.056 5.711 ( -0.593 0.233 3.743) 3.797 5.878 ( -3.717 -2.730 2.712) 5.350 6.476 ( -0.654 -5.614 -12.209) 13.454 6.510 ( -0.184 0.959 -2.591) 2.769 6.631 ( -2.426 0.998 0.681) 2.710 6.954 ( 1.267 1.323 4.219) 4.599 7.134 ( 6.185 2.352 3.912) 7.687 7.196 ( -1.190 -0.089 -0.442) 1.272 7.494 ( 1.729 2.790 -3.030) 4.467 8.018 ( 0.155 -6.358 3.072) 7.063 8.157 ( 3.360 -0.875 7.533) 8.295 8.348 ( 4.171 -1.541 4.422) 6.270 8.593 ( -5.896 0.484 -2.041) 6.258 8.648 ( -4.769 -3.541 -0.862) 6.003 8.881 ( -1.498 5.653 3.413) 6.771 9.321 ( -0.694 1.082 -3.823) 4.034 9.390 ( 4.498 9.455 -4.871) 11.548 9.639 ( 2.529 -1.398 -0.362) 2.912 10.020 ( -0.063 0.224 1.353) 1.373 10.112 ( -2.479 0.652 3.341) 4.211 10.327 ( -7.152 -9.286 -1.383) 11.802 11.532 ( 5.867 10.012 3.121) 12.016 11.712 ( -8.384 -1.038 -9.517) 12.725 12.234 ( -1.710 -6.232 2.195) 6.825 13.048 ( -0.242 0.215 1.234) 1.276 13.608 ( -0.972 -2.919 -2.665) 4.070======================= Grid point 156 (49/355) =======================q-point: ( 0.42 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 8.516 3.352 1.005) 9.207 2.058 ( 1.088 -6.147 5.397) 8.253 2.323 ( 0.289 -0.844 2.403) 2.563 2.357 ( -11.751 -1.293 -3.946) 12.464 2.842 ( 13.674 1.036 -6.532) 15.190 3.047 ( 6.471 -0.473 4.814) 8.079 3.347 ( -2.701 -1.081 4.359) 5.240 3.769 ( 5.627 0.823 -11.336) 12.683 4.147 ( 11.634 -2.650 9.622) 15.328 4.264 ( 5.260 7.223 -6.353) 10.963 4.526 ( -9.521 1.189 3.083) 10.078 4.676 ( -3.598 0.516 -4.377) 5.690 4.831 ( 0.663 -1.059 0.147) 1.258 5.324 ( -6.960 -0.320 4.224) 8.148 5.530 ( 2.452 3.091 -2.447) 4.643 5.554 ( 5.164 2.073 -0.768) 5.617 5.708 ( -1.561 0.299 1.688) 2.318 5.950 ( 7.532 -3.783 3.737) 9.220 6.284 ( -12.188 1.517 -10.192) 15.960 6.518 ( -0.912 -7.663 -10.914) 13.367 6.711 ( 5.737 3.502 8.069) 10.502 6.966 ( 0.219 0.014 6.063) 6.067 7.165 ( 0.497 0.671 2.248) 2.398 7.295 ( 8.219 2.484 10.384) 13.474 7.517 ( 2.662 1.924 0.198) 3.290 8.031 ( -2.078 -2.886 0.202) 3.562 8.213 ( -0.226 -2.370 4.315) 4.928 8.417 ( 3.276 -2.605 -2.132) 4.697 8.526 ( -1.051 0.187 -2.513) 2.730 8.601 ( -2.184 -2.292 3.510) 4.727 8.796 ( -4.386 5.344 1.892) 7.168 9.265 ( -2.497 3.928 -0.144) 4.657 9.392 ( 0.932 4.386 -4.093) 6.071 9.761 ( 8.216 -0.080 -1.168) 8.299 10.039 ( 1.672 0.986 0.812) 2.104 10.077 ( -2.387 -1.101 2.060) 3.340 10.237 ( -6.167 -7.209 -1.884) 9.672 11.560 ( -8.626 -6.010 -10.561) 14.902 11.604 ( 7.070 10.140 3.741) 12.916 12.215 ( -2.739 -3.087 0.315) 4.139 13.038 ( -0.685 -0.094 1.609) 1.751 13.604 ( -0.308 -0.901 -1.880) 2.108======================= Grid point 157 (50/355) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.892 ( -5.125 1.619 -2.505) 5.929 2.017 ( 1.526 -0.338 -1.103) 1.913 2.193 ( -2.659 2.422 -0.104) 3.599 2.402 ( 5.267 -3.276 6.936) 9.305 3.010 ( 4.488 -0.617 -3.102) 5.490 3.159 ( 2.155 1.052 7.196) 7.585 3.316 ( -0.330 0.160 3.890) 3.907 3.775 ( -4.774 4.466 -15.988) 17.273 4.262 ( -1.114 -0.650 -1.484) 1.966 4.294 ( 3.982 -0.475 3.113) 5.077 4.423 ( 0.673 4.368 5.173) 6.804 4.618 ( -5.916 -6.164 -8.207) 11.847 4.847 ( 1.580 -0.778 1.469) 2.293 5.208 ( -2.750 -0.777 1.251) 3.120 5.505 ( -2.054 2.795 -0.930) 3.591 5.636 ( 0.709 0.496 -3.971) 4.064 5.694 ( 0.556 2.162 4.407) 4.940 5.943 ( -11.651 -0.353 -7.426) 13.821 6.251 ( 10.789 -2.762 0.662) 11.157 6.516 ( -2.324 -8.387 -10.686) 13.782 6.792 ( 3.896 2.729 9.148) 10.310 6.958 ( -1.152 1.832 6.237) 6.602 7.207 ( 2.854 -2.272 7.990) 8.783 7.434 ( 6.803 2.566 9.446) 11.920 7.587 ( 4.824 0.567 7.974) 9.337 7.969 ( -3.551 3.781 -4.398) 6.801 8.173 ( -5.310 -3.033 0.622) 6.147 8.503 ( 3.558 -0.934 -4.212) 5.593 8.541 ( -1.969 -0.889 0.331) 2.185 8.557 ( 0.774 0.101 0.673) 1.031 8.699 ( -2.151 3.726 1.498) 4.556 9.227 ( 0.468 1.210 2.469) 2.789 9.398 ( 1.489 0.651 -3.180) 3.571 9.894 ( 5.155 0.156 -1.673) 5.422 9.985 ( -8.307 -1.779 0.331) 8.502 10.056 ( -0.760 -0.677 0.572) 1.167 10.213 ( 2.803 1.504 -0.913) 3.309 11.433 ( -7.923 -9.431 -10.741) 16.343 11.706 ( 8.185 7.595 4.234) 11.941 12.169 ( -2.778 -0.091 -2.237) 3.568 13.032 ( 0.003 0.255 1.808) 1.826 13.603 ( 0.086 -0.199 -1.601) 1.615======================= Grid point 158 (51/355) =======================q-point: (-0.42 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.625 ( -15.030 5.297 -3.866) 16.399 2.039 ( -3.263 4.752 2.514) 6.288 2.278 ( 10.704 -0.757 -2.334) 10.982 2.539 ( 6.382 -2.852 5.884) 9.137 2.985 ( -8.052 0.440 -2.711) 8.508 3.130 ( -3.672 -0.743 9.035) 9.781 3.327 ( 1.197 2.979 4.540) 5.560 3.583 ( -8.519 4.920 -11.802) 15.364 4.139 ( -11.148 0.083 6.350) 12.830 4.374 ( -4.402 2.650 0.330) 5.149 4.439 ( 1.211 -8.844 -11.057) 14.211 4.556 ( 2.391 -3.054 -1.454) 4.142 4.917 ( 5.399 -0.776 0.837) 5.519 5.242 ( 3.415 -1.432 -0.348) 3.720 5.422 ( -5.967 0.975 -2.402) 6.506 5.558 ( -5.429 0.532 -3.476) 6.468 5.670 ( -7.181 1.392 -3.325) 8.035 5.749 ( -2.032 3.136 -2.452) 4.470 6.468 ( 3.968 -7.599 -3.247) 9.167 6.543 ( 6.402 -5.278 -2.789) 8.754 6.832 ( -0.153 1.040 9.425) 9.483 6.947 ( 1.471 2.577 6.895) 7.506 7.290 ( 2.790 -3.876 10.657) 11.678 7.550 ( 5.802 1.616 9.361) 11.131 7.685 ( 4.076 0.082 14.230) 14.802 7.875 ( -2.028 6.670 -8.141) 10.718 8.050 ( -8.175 0.795 -1.753) 8.398 8.405 ( -7.585 2.467 1.101) 8.051 8.575 ( 4.800 0.867 -1.680) 5.159 8.641 ( 4.404 2.764 -0.706) 5.247 8.706 ( 2.999 -3.863 0.789) 4.954 9.272 ( 2.057 -5.284 2.016) 6.017 9.433 ( 2.958 0.788 -4.041) 5.070 9.792 ( -12.337 -1.642 -1.570) 12.545 9.943 ( 1.138 1.922 -1.494) 2.687 10.029 ( -2.228 -0.556 0.214) 2.307 10.295 ( 6.891 5.663 0.574) 8.938 11.341 ( -6.048 -10.201 -10.500) 15.839 11.836 ( 7.749 3.567 4.596) 9.690 12.114 ( -1.772 2.758 -4.818) 5.828 13.039 ( 0.695 0.407 1.762) 1.937 13.606 ( 0.492 0.582 -1.822) 1.975======================= Grid point 159 (52/355) =======================q-point: (-0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.301 ( -14.588 10.712 -2.908) 18.331 1.885 ( -9.852 7.378 0.613) 12.323 2.465 ( 5.350 -3.379 -0.482) 6.346 2.636 ( -3.569 -4.299 3.076) 6.378 2.746 ( -7.508 4.422 -1.071) 8.778 3.089 ( -2.586 -1.761 6.828) 7.511 3.297 ( -12.022 1.438 6.174) 13.591 3.422 ( 1.507 5.964 -2.861) 6.784 3.926 ( -9.540 0.117 4.429) 10.518 4.206 ( -10.126 -3.554 -10.475) 14.996 4.436 ( -3.119 -4.875 1.192) 5.909 4.686 ( 5.455 -1.224 -1.755) 5.860 5.048 ( 5.192 -0.793 -2.216) 5.700 5.133 ( -15.945 -0.790 0.009) 15.965 5.283 ( -6.054 -4.229 -6.953) 10.143 5.496 ( -6.829 0.640 -8.073) 10.594 5.615 ( 9.855 1.555 -1.517) 10.092 5.739 ( 2.034 4.445 -1.467) 5.103 6.532 ( 2.166 -8.510 -3.825) 9.579 6.736 ( 7.800 -3.476 2.825) 8.995 6.824 ( 0.042 0.306 11.086) 11.090 6.976 ( 1.106 2.194 8.728) 9.067 7.354 ( 0.476 -4.447 8.140) 9.288 7.618 ( 0.916 5.189 7.779) 9.395 7.769 ( 4.820 -1.728 4.559) 6.856 7.837 ( -2.797 3.152 1.263) 4.399 7.880 ( -4.392 3.082 0.791) 5.423 8.266 ( -4.280 4.850 3.388) 7.302 8.667 ( 3.689 -1.589 -1.565) 4.311 8.706 ( 4.787 4.703 -1.038) 6.791 8.824 ( 6.645 -6.094 3.530) 9.683 9.303 ( -3.661 -7.074 -2.165) 8.254 9.510 ( 4.735 1.578 -6.627) 8.296 9.563 ( -9.803 -2.357 -0.877) 10.120 9.934 ( -0.190 3.161 -1.221) 3.394 9.985 ( -2.460 -0.208 -0.372) 2.497 10.394 ( 6.282 5.440 1.384) 8.424 11.291 ( -3.383 -8.102 -9.979) 13.291 11.932 ( 1.260 0.208 1.622) 2.065 12.095 ( 3.852 4.620 -3.611) 7.016 13.050 ( 0.107 -0.349 1.492) 1.536 13.612 ( 1.285 2.774 -2.575) 3.997======================= Grid point 160 (53/355) =======================q-point: (-0.25 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -13.492 16.856 0.343) 21.594 1.578 ( -18.406 8.512 -3.426) 20.567 2.305 ( -17.250 -2.782 1.395) 17.528 2.568 ( -3.072 -0.129 0.641) 3.140 2.759 ( -10.397 -0.934 10.440) 14.763 2.862 ( -14.484 -1.016 6.634) 15.963 3.072 ( -3.118 3.523 3.644) 5.950 3.531 ( 7.913 1.762 -1.497) 8.244 3.815 ( -3.781 -2.089 1.529) 4.582 4.062 ( -4.800 -2.158 -10.937) 12.137 4.398 ( -2.808 -2.309 4.686) 5.931 4.681 ( -16.617 -2.288 0.090) 16.774 4.738 ( -10.978 1.820 1.774) 11.268 5.080 ( -4.917 -0.341 -6.584) 8.224 5.287 ( 3.871 -5.771 -10.177) 12.323 5.428 ( 1.318 0.595 -6.368) 6.530 5.669 ( -0.016 2.945 -5.426) 6.174 5.910 ( 14.215 1.527 0.493) 14.305 6.641 ( 4.495 -6.774 -1.002) 8.191 6.842 ( 1.728 -1.056 4.664) 5.085 6.884 ( 4.754 -2.760 12.264) 13.440 6.972 ( -0.479 1.960 10.874) 11.060 7.365 ( -2.649 -4.425 5.428) 7.487 7.578 ( -0.912 6.328 2.312) 6.798 7.660 ( -7.780 5.392 -3.193) 9.990 7.851 ( -1.473 0.149 1.664) 2.227 7.934 ( 6.205 -6.761 8.584) 12.566 8.243 ( 4.806 6.815 9.952) 12.984 8.696 ( -1.831 -3.785 -2.721) 5.008 8.754 ( 2.237 2.942 -2.163) 4.282 9.026 ( 9.503 -4.435 7.638) 12.974 9.186 ( -9.045 0.654 -8.909) 12.712 9.382 ( -6.074 -3.255 -2.147) 7.218 9.673 ( 7.839 -3.168 -2.975) 8.963 9.909 ( -1.019 1.267 -1.917) 2.514 9.949 ( -0.685 0.538 -2.386) 2.540 10.475 ( 4.724 3.728 2.452) 6.498 11.276 ( -0.753 -3.918 -9.051) 9.892 11.882 ( -4.375 1.712 -4.459) 6.477 12.201 ( 7.372 0.838 1.314) 7.535 13.038 ( -2.549 -2.600 1.245) 3.848 13.623 ( 3.113 7.887 -3.957) 9.357======================= Grid point 161 (54/355) =======================q-point: (-0.17 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( -9.261 23.440 6.995) 26.156 1.106 ( -25.356 9.098 -4.075) 27.245 1.980 ( -25.096 -3.091 9.378) 26.969 2.210 ( -24.341 -0.345 20.516) 31.835 2.445 ( -11.070 1.635 3.611) 11.759 2.915 ( 1.056 -6.392 -0.624) 6.509 3.024 ( 1.932 4.846 -0.745) 5.269 3.632 ( 2.835 -1.538 -0.591) 3.279 3.751 ( -5.237 0.521 -0.123) 5.264 4.045 ( 2.273 -1.241 -7.170) 7.623 4.230 ( -22.431 -1.254 -1.404) 22.509 4.391 ( -0.092 -0.045 5.889) 5.890 4.621 ( -5.934 1.680 2.003) 6.484 4.965 ( -5.393 -0.245 -6.989) 8.831 5.364 ( 2.063 -2.180 -11.803) 12.179 5.506 ( 6.405 0.186 -2.451) 6.860 5.669 ( 2.340 1.324 -6.017) 6.590 6.155 ( 11.235 0.430 1.425) 11.334 6.726 ( 0.972 -4.137 0.326) 4.262 6.860 ( 0.400 1.425 2.389) 2.810 6.931 ( -0.016 -1.450 8.621) 8.742 7.103 ( 10.813 -5.284 16.241) 20.215 7.299 ( -6.177 -2.641 4.908) 8.320 7.497 ( -6.000 5.590 -1.408) 8.320 7.544 ( -1.210 3.918 1.941) 4.537 7.814 ( -0.723 -0.331 -2.281) 2.416 8.101 ( 4.424 -14.080 9.106) 17.342 8.363 ( 9.412 6.021 10.525) 15.350 8.638 ( -6.311 -3.773 -3.095) 7.978 8.750 ( -0.494 3.418 -3.442) 4.876 8.970 ( -8.735 5.714 -13.906) 17.387 9.143 ( -3.010 -2.622 6.246) 7.412 9.391 ( 5.749 -0.511 2.966) 6.489 9.799 ( 2.396 -0.831 1.626) 3.013 9.897 ( 0.396 -4.868 -4.341) 6.534 9.968 ( 3.637 -0.527 -6.655) 7.602 10.545 ( 3.653 0.172 4.461) 5.768 11.279 ( 1.082 2.052 -8.019) 8.348 11.771 ( -5.472 1.108 -5.516) 7.848 12.341 ( 6.550 -2.906 1.729) 7.371 12.981 ( -6.331 -7.908 1.804) 10.289 13.637 ( 5.517 17.865 -6.270) 19.721======================= Grid point 162 (55/355) =======================q-point: (-0.08 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.415 ( -1.344 24.440 16.428) 29.478 0.616 ( -16.417 6.163 14.069) 22.482 1.334 ( -37.779 1.534 29.592) 48.013 2.070 ( -1.750 -13.055 12.931) 18.458 2.215 ( -8.505 7.227 7.736) 13.580 2.923 ( -0.434 -3.299 -6.412) 7.224 3.089 ( 3.987 1.377 -0.749) 4.284 3.626 ( -5.129 -0.582 -0.048) 5.162 3.648 ( -2.938 0.728 1.757) 3.500 3.883 ( -10.340 -0.570 -7.269) 12.652 4.106 ( 1.881 0.127 3.717) 4.168 4.439 ( 4.508 1.974 2.127) 5.361 4.506 ( -5.452 1.341 0.828) 5.675 4.894 ( -1.170 0.495 -3.676) 3.889 5.356 ( -2.125 0.214 -11.843) 12.034 5.630 ( 6.416 0.719 1.956) 6.746 5.739 ( 5.425 -0.493 -5.246) 7.563 6.304 ( 3.814 -0.224 3.152) 4.953 6.742 ( 0.063 -1.735 0.986) 1.997 6.873 ( 1.801 0.617 1.050) 2.174 6.963 ( 1.056 -0.247 3.473) 3.639 7.202 ( -4.920 -1.668 6.817) 8.571 7.293 ( -4.047 -7.009 -3.141) 8.681 7.412 ( 5.709 6.353 4.508) 9.658 7.485 ( -3.625 1.423 -0.717) 3.960 7.836 ( 2.112 -1.095 -1.614) 2.875 8.249 ( -9.280 -36.477 3.151) 37.771 8.432 ( -10.781 -1.016 -15.195) 18.659 8.565 ( 8.583 -0.660 6.629) 10.865 8.752 ( 14.345 22.707 10.872) 28.976 8.791 ( -4.401 7.697 -3.204) 9.427 9.045 ( -7.028 0.413 3.895) 8.046 9.486 ( 2.292 -0.776 3.332) 4.118 9.786 ( -1.906 0.498 -0.186) 1.979 9.958 ( 3.310 -2.160 -0.917) 4.057 10.043 ( 1.731 -2.571 -5.916) 6.679 10.622 ( 2.041 -5.119 6.949) 8.869 11.271 ( 1.208 6.333 -7.708) 10.049 11.685 ( -2.030 -0.199 -3.644) 4.176 12.471 ( 4.321 -4.894 -0.257) 6.534 12.913 ( -7.205 -20.057 4.574) 21.797 13.611 ( 5.457 33.457 -9.448) 35.191======================= Grid point 164 (56/355) =======================q-point: ( 0.08 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 16.516 -0.000 22.906) 28.240 1.131 ( 25.939 -0.000 0.637) 25.946 1.953 ( 8.712 -0.000 11.805) 14.672 2.300 ( 35.853 -0.000 24.254) 43.286 2.497 ( 11.134 -0.000 5.798) 12.553 2.841 ( -4.303 0.000 -3.563) 5.586 2.841 ( -2.471 0.000 -5.649) 6.166 3.582 ( -0.979 0.000 -9.548) 9.598 3.685 ( -2.173 0.000 -9.002) 9.260 4.156 ( 12.302 -0.000 -0.451) 12.310 4.178 ( 7.437 -0.000 2.101) 7.728 4.539 ( 5.457 -0.000 -7.002) 8.877 4.596 ( 4.652 -0.000 10.914) 11.864 5.126 ( 6.367 -0.000 0.954) 6.438 5.583 ( -4.206 0.000 2.082) 4.693 5.727 ( 1.975 -0.000 5.423) 5.772 5.967 ( -1.387 0.000 3.425) 3.695 6.138 ( -7.548 0.000 0.826) 7.593 6.269 ( 2.456 -0.000 -2.760) 3.695 6.510 ( -7.806 0.000 -7.543) 10.855 6.806 ( 1.089 -0.000 -0.784) 1.342 6.940 ( -4.287 0.000 -2.561) 4.994 7.096 ( 3.009 -0.000 -4.440) 5.363 7.284 ( -3.176 0.000 -3.965) 5.081 7.385 ( 4.397 -0.000 -3.913) 5.886 7.966 ( -1.866 0.000 3.766) 4.203 8.065 ( 6.107 -0.000 7.484) 9.660 8.241 ( -7.811 0.000 5.870) 9.771 8.734 ( -0.054 0.000 -2.007) 2.007 8.845 ( 1.651 -0.000 0.475) 1.718 8.898 ( 1.649 -0.000 -0.563) 1.743 9.306 ( -2.150 0.000 -3.308) 3.945 9.327 ( -0.680 0.000 -2.758) 2.841 9.698 ( -3.391 0.000 -0.484) 3.425 10.084 ( -1.318 0.000 5.880) 6.026 10.392 ( -6.199 0.000 3.736) 7.238 10.404 ( -5.666 0.000 -3.242) 6.528 11.437 ( 5.364 -0.000 -0.543) 5.391 11.999 ( 6.343 -0.000 6.019) 8.745 12.182 ( -11.421 0.000 -7.752) 13.804 13.035 ( 2.056 -0.000 0.629) 2.150 13.521 ( 1.349 -0.000 -3.587) 3.832======================= Grid point 165 (57/355) =======================q-point: ( 0.17 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.365 ( 17.396 -0.370 20.545) 26.923 1.573 ( 18.041 -2.750 -0.822) 18.268 2.155 ( 13.240 1.129 0.523) 13.299 2.525 ( -5.422 1.218 -4.093) 6.901 2.620 ( -2.466 -2.558 -1.970) 4.063 2.907 ( 6.570 -0.314 2.137) 6.916 3.131 ( 31.137 -2.156 21.895) 38.125 3.502 ( -6.008 -0.345 -5.552) 8.188 3.659 ( 0.533 0.652 -10.081) 10.116 4.157 ( 1.787 1.062 -7.223) 7.517 4.546 ( 14.178 1.316 10.578) 17.738 4.639 ( 5.885 0.460 -5.632) 8.159 4.793 ( 17.373 0.442 4.043) 17.843 5.144 ( -6.829 -0.195 -1.427) 6.980 5.534 ( 1.769 1.389 -2.703) 3.517 5.723 ( -0.572 5.082 7.814) 9.339 5.873 ( -9.796 -3.458 2.361) 10.653 5.968 ( -9.943 -0.774 2.761) 10.349 6.388 ( 8.465 -0.276 1.739) 8.647 6.413 ( -1.311 -2.016 -13.369) 13.583 6.811 ( -8.519 0.988 -5.392) 10.130 6.895 ( 6.321 0.274 4.801) 7.942 7.103 ( -0.488 0.856 -6.419) 6.494 7.231 ( -2.133 -0.419 -2.088) 3.015 7.473 ( 4.695 0.708 -3.227) 5.741 7.944 ( -1.020 -1.980 4.108) 4.674 8.135 ( -2.129 1.562 9.363) 9.728 8.208 ( 6.471 -1.798 8.794) 11.065 8.699 ( -3.734 -1.000 -1.944) 4.327 8.754 ( -8.424 0.645 -3.153) 9.018 8.939 ( 1.819 1.999 4.387) 5.153 9.297 ( 1.552 0.075 -6.586) 6.766 9.398 ( 7.807 3.326 -2.917) 8.974 9.631 ( -3.831 -1.644 -1.057) 4.301 10.049 ( -2.310 0.291 3.809) 4.464 10.238 ( -7.102 4.537 4.542) 9.573 10.327 ( -5.351 -6.077 -2.504) 8.476 11.529 ( 4.888 2.511 1.909) 5.818 11.938 ( -9.473 6.358 -8.433) 14.187 12.119 ( 1.631 -7.581 3.631) 8.563 13.054 ( 0.525 0.991 0.850) 1.407 13.556 ( 1.112 -3.271 -3.011) 4.583======================= Grid point 166 (58/355) =======================q-point: ( 0.25 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( 12.449 3.250 12.930) 18.241 1.827 ( 8.352 -6.070 4.206) 11.149 2.372 ( 0.336 2.010 -5.101) 5.493 2.437 ( 0.956 -2.847 -6.764) 7.401 2.604 ( 6.544 -1.027 -3.288) 7.395 2.982 ( 1.023 0.673 2.443) 2.733 3.382 ( -4.100 -0.598 1.820) 4.525 3.689 ( 4.052 0.805 -9.320) 10.195 3.724 ( 24.598 -4.289 19.015) 31.386 4.225 ( 6.749 3.048 -6.746) 10.017 4.662 ( 2.044 5.626 0.312) 5.994 4.750 ( 3.866 -2.104 2.281) 4.957 4.909 ( -14.786 -0.105 -6.214) 16.039 5.181 ( 19.570 0.867 1.638) 19.657 5.598 ( 3.687 5.082 -0.341) 6.288 5.625 ( -11.906 -0.866 -0.272) 11.941 5.726 ( -0.422 3.070 6.227) 6.956 5.839 ( -4.198 -4.693 4.113) 7.521 6.418 ( 0.433 -4.654 -13.498) 14.285 6.518 ( -2.339 0.586 -5.176) 5.710 6.645 ( -0.752 1.277 2.630) 3.019 6.964 ( -0.200 0.606 0.615) 0.886 7.151 ( 7.339 0.974 4.949) 8.905 7.199 ( -1.131 0.549 0.757) 1.468 7.525 ( 2.088 2.726 -2.431) 4.207 7.959 ( 0.323 -4.529 3.526) 5.749 8.152 ( 2.916 -0.209 8.605) 9.089 8.331 ( 3.938 -1.519 4.889) 6.459 8.598 ( -6.316 0.342 -2.367) 6.753 8.620 ( -4.370 -1.805 0.333) 4.740 8.928 ( -1.945 3.253 4.559) 5.928 9.315 ( -0.737 -0.781 -9.189) 9.251 9.500 ( 4.730 9.743 -1.921) 11.000 9.619 ( 3.603 -2.565 -0.506) 4.452 10.021 ( -0.301 -0.041 1.132) 1.171 10.109 ( -5.665 -1.174 5.095) 7.710 10.254 ( -4.900 -4.513 -2.520) 7.122 11.596 ( 2.500 2.190 2.344) 4.067 11.731 ( -7.676 4.152 -9.937) 13.225 12.171 ( 0.058 -5.231 2.691) 5.883 13.050 ( -0.668 0.151 1.337) 1.502 13.584 ( 0.657 -1.738 -2.364) 3.007======================= Grid point 167 (59/355) =======================q-point: ( 0.33 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.827 ( 7.572 4.078 1.959) 8.820 1.996 ( 4.032 -5.814 5.873) 9.195 2.317 ( -1.438 -0.261 0.754) 1.644 2.345 ( -8.947 -0.890 -3.741) 9.738 2.859 ( 13.635 2.254 -6.505) 15.274 3.027 ( 5.286 -3.098 2.572) 6.645 3.338 ( -2.078 -0.552 5.281) 5.702 3.777 ( 5.871 0.676 -9.792) 11.437 4.121 ( 13.486 -2.217 13.946) 19.527 4.337 ( 6.326 6.243 -4.596) 10.006 4.541 ( -12.240 1.728 0.449) 12.369 4.681 ( -5.429 0.328 -6.755) 8.673 4.812 ( 0.283 -2.407 -2.035) 3.165 5.319 ( -8.254 -0.493 3.987) 9.180 5.542 ( 8.065 0.298 -4.454) 9.218 5.603 ( -0.019 6.127 3.080) 6.858 5.713 ( -0.847 0.577 2.657) 2.848 5.909 ( 6.857 -3.895 3.816) 8.761 6.298 ( -11.872 1.248 -10.828) 16.116 6.437 ( -1.425 -7.284 -11.915) 14.038 6.751 ( 6.287 3.757 8.463) 11.192 6.956 ( -0.103 -1.561 3.914) 4.215 7.176 ( -0.435 1.198 2.933) 3.198 7.318 ( 8.728 1.904 9.897) 13.333 7.541 ( 1.845 2.505 1.168) 3.323 7.995 ( 0.522 -3.713 1.324) 3.976 8.207 ( 0.582 0.889 3.790) 3.936 8.378 ( 1.018 -4.505 -3.012) 5.514 8.529 ( -0.793 0.288 -2.233) 2.387 8.584 ( -0.777 -1.050 6.109) 6.248 8.847 ( -4.574 4.348 3.716) 7.324 9.253 ( -4.873 -3.083 -6.489) 8.681 9.495 ( 1.646 12.142 -0.199) 12.254 9.750 ( 7.303 -2.201 -1.915) 7.865 10.035 ( -4.001 -5.073 2.113) 6.798 10.046 ( 0.448 -0.809 1.645) 1.887 10.202 ( -0.414 -0.073 -2.067) 2.110 11.499 ( -10.287 -5.064 -10.012) 15.222 11.700 ( 5.472 7.832 2.146) 9.792 12.183 ( -1.148 -3.047 0.429) 3.284 13.037 ( -0.619 -0.062 1.794) 1.899 13.596 ( 0.273 -0.650 -1.881) 2.009======================= Grid point 168 (60/355) =======================q-point: ( 0.42 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.915 ( -3.845 2.822 -1.343) 4.955 2.014 ( 2.899 -0.397 -0.407) 2.954 2.213 ( -2.305 1.528 -0.595) 2.829 2.368 ( 5.139 -3.106 6.134) 8.584 3.015 ( 4.852 1.551 -2.280) 5.581 3.161 ( 2.855 -0.993 5.810) 6.549 3.310 ( -0.477 -1.070 3.874) 4.048 3.819 ( -2.202 3.808 -15.002) 15.633 4.257 ( -6.080 -0.546 4.830) 7.785 4.297 ( 4.560 1.271 0.255) 4.741 4.466 ( 1.393 3.442 4.996) 6.225 4.556 ( -8.276 -5.736 -10.899) 14.838 4.837 ( 2.080 -1.063 1.246) 2.647 5.201 ( -2.405 -0.432 0.825) 2.579 5.542 ( -3.240 4.247 0.657) 5.382 5.640 ( 0.387 0.257 -4.008) 4.035 5.714 ( 1.272 1.547 4.894) 5.288 5.936 ( -9.528 -0.957 -7.648) 12.256 6.226 ( 8.374 -2.013 -0.458) 8.625 6.428 ( -2.317 -8.217 -10.427) 13.476 6.825 ( 3.129 3.457 8.418) 9.623 6.966 ( -0.597 -0.231 6.697) 6.728 7.190 ( 1.767 -1.146 6.676) 7.000 7.459 ( 6.380 2.266 6.671) 9.504 7.594 ( 4.228 0.809 10.915) 11.734 8.004 ( -0.251 2.592 -3.051) 4.012 8.161 ( -3.803 0.923 -0.974) 4.033 8.446 ( 1.537 -7.915 -4.662) 9.314 8.538 ( 1.428 -0.073 -2.638) 3.001 8.575 ( -0.477 2.191 5.341) 5.792 8.746 ( -2.627 5.078 2.827) 6.378 9.192 ( -3.181 -6.112 -0.537) 6.911 9.463 ( 1.749 9.962 -0.875) 10.152 9.877 ( 3.559 -4.266 -1.341) 5.715 9.945 ( -7.363 -4.010 0.343) 8.391 10.048 ( -0.991 -0.654 0.286) 1.222 10.263 ( 7.636 6.862 -0.888) 10.304 11.332 ( -9.808 -9.495 -10.926) 17.485 11.780 ( 6.373 6.364 3.489) 9.659 12.166 ( -1.325 -0.460 -2.312) 2.704 13.034 ( 0.211 0.231 1.926) 1.951 13.601 ( 0.363 -0.160 -1.687) 1.733======================= Grid point 169 (61/355) =======================q-point: (-0.50 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( -11.673 7.678 -1.599) 14.063 2.080 ( -1.098 2.877 2.624) 4.046 2.264 ( 8.110 -1.976 -0.787) 8.384 2.511 ( 6.606 -2.245 3.742) 7.917 3.001 ( -5.707 2.570 -0.525) 6.281 3.122 ( -5.231 -0.763 8.461) 9.977 3.348 ( 2.270 0.843 4.172) 4.823 3.641 ( -9.065 5.972 -13.187) 17.080 4.132 ( -10.171 -1.324 4.599) 11.241 4.324 ( -9.700 -10.232 -13.799) 19.728 4.423 ( 1.477 3.852 2.951) 5.073 4.532 ( 4.738 -1.693 0.931) 5.117 4.909 ( 5.073 -0.632 1.766) 5.409 5.226 ( 1.842 -1.393 -0.596) 2.385 5.438 ( -6.796 1.704 -0.631) 7.035 5.565 ( -4.410 0.688 -3.764) 5.838 5.688 ( -8.349 1.908 -5.381) 10.114 5.773 ( -0.620 1.274 -1.455) 2.031 6.389 ( 1.298 -7.175 -4.878) 8.773 6.490 ( 9.189 -5.025 -0.692) 10.496 6.842 ( -1.235 0.876 8.890) 9.018 6.969 ( 1.543 1.748 6.595) 6.995 7.255 ( 2.546 -2.983 9.726) 10.487 7.563 ( 5.526 1.083 4.858) 7.437 7.690 ( 4.215 0.796 18.743) 19.228 7.946 ( -2.132 6.851 -8.798) 11.353 8.070 ( -5.203 2.920 -1.702) 6.204 8.411 ( -6.347 -1.722 -0.789) 6.623 8.577 ( 2.649 -1.402 -1.737) 3.464 8.629 ( 5.515 -2.313 -0.615) 6.012 8.721 ( 1.988 4.985 2.245) 5.817 9.196 ( -0.865 -8.494 1.988) 8.766 9.470 ( 3.430 5.609 -1.821) 6.822 9.767 ( -11.578 -3.002 -1.217) 12.023 9.951 ( 1.573 -0.359 -0.739) 1.775 10.023 ( -1.962 -0.555 -0.543) 2.110 10.375 ( 8.243 9.612 -0.255) 12.664 11.222 ( -6.669 -12.530 -10.112) 17.428 11.875 ( 5.877 3.843 4.087) 8.125 12.140 ( -0.424 2.182 -5.115) 5.577 13.043 ( 0.587 0.409 1.713) 1.856 13.613 ( 1.232 0.599 -1.972) 2.401======================= Grid point 170 (62/355) =======================q-point: (-0.42 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.429 ( -10.388 13.694 -0.271) 17.190 1.962 ( -8.685 6.821 2.624) 11.351 2.426 ( 3.796 -3.954 1.122) 5.594 2.589 ( -1.730 -4.566 1.401) 5.080 2.799 ( -9.312 5.649 -0.203) 10.893 3.070 ( -1.648 -1.756 5.961) 6.429 3.318 ( -10.774 2.572 5.282) 12.272 3.482 ( 0.822 5.334 -4.774) 7.206 3.924 ( -10.573 -0.658 0.165) 10.594 4.145 ( -10.727 -8.172 -9.590) 16.547 4.405 ( -2.268 -0.665 4.423) 5.015 4.671 ( 5.954 -1.473 -1.209) 6.252 5.035 ( 4.603 -1.633 -1.609) 5.143 5.116 ( -14.244 -2.328 -0.268) 14.435 5.254 ( -8.797 -1.359 -3.971) 9.747 5.507 ( -6.540 1.514 -8.627) 10.931 5.629 ( 8.821 0.914 -1.977) 9.086 5.774 ( 1.731 2.334 -1.259) 3.167 6.452 ( 3.435 -6.585 -2.532) 7.847 6.694 ( 7.853 -4.440 2.449) 9.348 6.820 ( -1.024 -1.039 10.553) 10.654 6.999 ( 1.162 2.149 7.319) 7.716 7.314 ( 0.792 -3.241 8.536) 9.164 7.659 ( 3.435 2.489 7.253) 8.403 7.763 ( 3.047 0.625 9.934) 10.409 7.875 ( -1.491 4.043 -3.627) 5.632 7.924 ( -6.733 5.498 -1.603) 8.839 8.307 ( -3.214 2.664 3.060) 5.176 8.632 ( 0.458 -5.685 -2.815) 6.360 8.751 ( 3.559 1.261 3.145) 4.914 8.779 ( 9.025 0.824 -0.155) 9.064 9.225 ( -1.382 -7.801 -0.616) 7.946 9.528 ( 2.340 1.822 -5.658) 6.389 9.543 ( -9.954 -1.464 -0.232) 10.064 9.956 ( -0.797 0.718 0.217) 1.094 9.984 ( -1.886 0.297 -1.669) 2.536 10.465 ( 6.075 8.184 0.170) 10.194 11.192 ( -2.223 -10.802 -8.304) 13.805 11.945 ( 1.698 2.021 2.561) 3.678 12.136 ( 2.849 3.369 -5.275) 6.877 13.047 ( -0.623 -0.306 1.319) 1.490 13.643 ( 3.393 3.032 -3.039) 5.472======================= Grid point 171 (63/355) =======================q-point: (-0.33 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( -8.856 20.457 3.147) 22.513 1.682 ( -16.253 10.861 -0.893) 19.568 2.280 ( -16.891 -1.590 0.842) 16.987 2.554 ( -4.942 -2.987 1.950) 6.095 2.735 ( -3.880 -3.148 9.128) 10.406 2.869 ( -20.269 2.092 3.938) 20.753 3.114 ( -2.216 4.467 2.437) 5.550 3.548 ( 4.583 0.939 -1.604) 4.945 3.796 ( -2.909 -1.094 -1.000) 3.265 4.027 ( -4.067 -4.726 -8.506) 10.546 4.376 ( -1.596 -1.788 5.293) 5.810 4.657 ( -18.904 -2.199 -0.150) 19.032 4.752 ( -8.159 0.693 2.491) 8.559 5.075 ( -6.276 -0.729 -5.585) 8.432 5.226 ( 4.920 -5.424 -8.073) 10.899 5.442 ( 1.818 1.981 -6.238) 6.793 5.684 ( -1.010 -0.484 -5.126) 5.247 5.930 ( 13.532 2.171 0.530) 13.715 6.578 ( 5.921 -4.873 0.949) 7.727 6.820 ( 3.010 -3.120 2.483) 4.996 6.851 ( 2.325 -3.450 12.839) 13.496 6.993 ( -0.887 2.135 9.098) 9.387 7.326 ( -2.224 -3.181 5.646) 6.851 7.642 ( -1.367 5.968 3.117) 6.871 7.729 ( -6.889 7.771 -3.790) 11.056 7.853 ( -1.895 0.266 -0.269) 1.933 7.874 ( 4.393 -4.701 8.122) 10.362 8.301 ( 3.920 4.097 7.860) 9.691 8.638 ( -2.975 -7.751 -1.194) 8.388 8.792 ( 2.100 4.072 -0.609) 4.622 8.984 ( 9.699 -3.289 5.746) 11.743 9.187 ( -5.707 -0.306 -7.892) 9.744 9.350 ( -5.514 -2.622 -1.965) 6.414 9.633 ( 4.890 -4.461 -3.329) 7.409 9.920 ( -2.321 0.727 0.633) 2.513 9.956 ( -0.491 0.752 -3.468) 3.582 10.521 ( 3.480 4.902 0.632) 6.045 11.227 ( 1.996 -5.282 -5.724) 8.040 11.909 ( -3.506 3.405 -2.643) 5.556 12.206 ( 5.027 0.125 -0.780) 5.089 13.013 ( -4.103 -2.203 1.172) 4.802 13.712 ( 7.659 8.699 -5.376) 12.776======================= Grid point 172 (64/355) =======================q-point: (-0.25 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -4.558 26.606 9.663) 28.671 1.241 ( -21.949 16.543 -4.372) 27.831 1.943 ( -22.214 -3.313 5.223) 23.059 2.216 ( -28.934 1.562 21.099) 35.844 2.453 ( -10.695 -0.637 5.023) 11.833 2.843 ( 0.110 -7.289 -2.158) 7.603 3.078 ( 1.810 5.444 -1.208) 5.863 3.610 ( 2.208 -2.695 -0.295) 3.496 3.758 ( -4.019 0.775 -0.711) 4.155 4.024 ( 1.726 -2.936 -7.204) 7.968 4.212 ( -22.828 -2.118 -0.746) 22.938 4.392 ( 2.486 0.441 4.933) 5.542 4.642 ( -5.990 2.050 3.395) 7.184 4.960 ( -4.827 -0.711 -6.283) 7.955 5.333 ( 3.792 -3.463 -9.496) 10.796 5.516 ( 6.529 1.859 -2.139) 7.117 5.675 ( 1.050 -0.516 -5.771) 5.888 6.162 ( 10.835 1.020 1.363) 10.968 6.681 ( 1.588 -3.934 2.921) 5.151 6.872 ( 2.058 0.487 0.704) 2.229 6.909 ( -0.141 -2.677 8.485) 8.898 7.045 ( 6.369 -5.219 14.290) 16.492 7.269 ( -5.547 -2.882 4.141) 7.498 7.566 ( -4.823 7.154 -0.335) 8.634 7.592 ( -2.481 5.054 2.944) 6.354 7.806 ( -1.796 -1.363 -2.609) 3.448 7.969 ( -0.778 -10.349 5.370) 11.685 8.386 ( 3.814 -1.264 0.956) 4.130 8.614 ( -2.075 -1.622 6.321) 6.848 8.780 ( -0.888 3.009 -2.702) 4.140 9.038 ( -3.427 6.561 -12.599) 14.612 9.108 ( -1.317 -3.666 6.628) 7.688 9.383 ( 5.732 -0.944 2.889) 6.488 9.755 ( 5.072 -8.375 -3.382) 10.359 9.865 ( -3.266 -0.257 -1.228) 3.499 9.959 ( 1.334 -1.044 -3.998) 4.342 10.550 ( 1.080 0.721 1.309) 1.844 11.303 ( 5.381 2.439 -3.101) 6.672 11.793 ( -6.026 3.131 -4.511) 8.152 12.301 ( 3.317 -4.689 1.577) 5.956 12.911 ( -8.806 -5.120 2.357) 10.455 13.835 ( 13.557 18.776 -10.115) 25.272======================= Grid point 173 (65/355) =======================q-point: (-0.17 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( -19.030 17.763 3.819) 26.311 0.759 ( 3.210 32.826 15.761) 36.554 1.369 ( -34.045 5.642 26.787) 43.686 1.918 ( -9.620 -14.213 14.778) 22.648 2.269 ( -7.195 2.899 9.027) 11.902 2.861 ( -0.981 -8.158 -6.432) 10.435 3.119 ( 3.857 4.414 -0.717) 5.905 3.617 ( -7.616 -1.374 -1.765) 7.937 3.657 ( -0.692 0.714 1.584) 1.870 3.869 ( -10.643 -2.259 -8.080) 13.552 4.100 ( 3.726 -1.531 1.184) 4.198 4.474 ( 6.250 4.289 2.477) 7.974 4.528 ( -4.753 2.424 2.308) 5.813 4.903 ( -0.589 0.922 -3.327) 3.503 5.360 ( -0.956 0.490 -9.112) 9.175 5.643 ( 7.172 1.665 1.371) 7.490 5.730 ( 4.707 -1.040 -4.652) 6.699 6.301 ( 3.369 -0.284 3.090) 4.581 6.712 ( 0.419 -3.656 3.045) 4.776 6.883 ( 0.995 1.134 1.153) 1.898 6.957 ( 2.069 -0.729 2.530) 3.349 7.169 ( -4.418 -4.831 7.284) 9.794 7.210 ( -0.140 -7.750 0.798) 7.792 7.484 ( 0.688 6.402 3.173) 7.178 7.512 ( -3.569 3.745 -0.971) 5.264 7.768 ( -11.513 -17.673 0.518) 21.099 7.930 ( -8.414 -14.148 7.009) 17.891 8.398 ( -3.823 -4.276 -9.633) 11.211 8.600 ( 2.673 4.887 0.555) 5.598 8.767 ( -0.655 -1.700 2.730) 3.282 8.992 ( 0.609 7.639 -0.854) 7.711 9.088 ( 7.391 12.039 4.338) 14.778 9.471 ( 1.479 -2.149 2.772) 3.806 9.792 ( -3.301 0.245 -1.263) 3.543 9.907 ( 5.207 -7.458 -1.027) 9.153 10.006 ( 2.162 -3.636 -2.015) 4.685 10.559 ( -1.522 -5.156 2.463) 5.913 11.369 ( 4.146 10.967 -2.357) 11.959 11.683 ( -2.570 -0.009 -3.184) 4.092 12.374 ( -0.660 -12.374 3.902) 12.991 12.754 ( -10.633 -7.884 6.914) 14.934 13.996 ( 18.243 34.016 -21.671) 44.266======================= Grid point 174 (66/355) =======================q-point: (-0.08 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.519 ( 7.049 11.141 20.900) 24.711 0.658 ( -11.646 6.145 30.507) 33.227 0.995 ( 13.338 24.537 37.557) 46.803 1.913 ( -4.301 -20.310 11.178) 23.579 2.181 ( -4.027 4.340 9.954) 11.581 2.893 ( 0.149 -7.715 -6.145) 9.864 3.116 ( -2.116 5.082 -4.423) 7.062 3.528 ( -3.186 -0.915 -3.660) 4.938 3.662 ( 4.904 -10.166 -0.785) 11.314 3.819 ( 1.068 -2.454 -5.070) 5.733 4.199 ( 5.743 4.644 -4.150) 8.472 4.422 ( -4.411 3.354 1.099) 5.649 4.560 ( 4.374 7.592 2.073) 9.004 4.916 ( 2.218 1.464 -1.467) 3.035 5.333 ( 4.181 2.677 0.087) 4.965 5.735 ( 2.272 2.425 4.814) 5.850 5.839 ( 5.888 -1.350 -4.011) 7.251 6.311 ( -2.018 -0.183 4.240) 4.699 6.708 ( -11.115 -6.025 3.190) 13.039 6.818 ( -16.376 2.524 -3.804) 17.001 6.957 ( -1.499 -0.601 2.223) 2.748 7.054 ( -12.787 -4.167 1.625) 13.546 7.103 ( -13.886 -0.243 -2.902) 14.188 7.243 ( -0.036 -1.167 -3.467) 3.659 7.420 ( -3.724 0.736 -1.373) 4.037 7.816 ( 6.914 -13.058 8.208) 16.902 7.949 ( 2.721 -3.604 8.004) 9.190 8.374 ( -0.043 -6.528 -1.457) 6.689 8.678 ( 6.471 0.340 -5.094) 8.242 8.737 ( -1.943 0.681 -0.520) 2.123 8.883 ( -7.474 -1.306 3.585) 8.392 9.378 ( 13.558 6.722 -2.288) 15.305 9.475 ( -1.538 -1.648 0.419) 2.293 9.774 ( 2.403 -0.442 0.947) 2.620 10.020 ( 3.796 -1.683 1.896) 4.565 10.121 ( 16.145 -2.566 4.094) 16.852 10.547 ( -4.808 -11.520 4.475) 13.261 11.339 ( 0.491 9.701 -4.875) 10.868 11.713 ( 4.698 -0.076 1.731) 5.008 12.427 ( -2.291 -17.539 4.427) 18.234 12.689 ( 0.180 -15.129 14.993) 21.300 13.984 ( 0.860 52.284 -35.803) 63.374======================= Grid point 177 (67/355) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.693 ( 14.606 -0.000 18.198) 23.335 1.790 ( 6.719 -0.000 -0.399) 6.731 2.395 ( 4.903 -0.000 -6.309) 7.990 2.410 ( -5.383 0.000 -6.506) 8.444 2.599 ( 8.872 -0.000 -2.968) 9.355 2.985 ( 0.390 -0.000 2.039) 2.076 3.379 ( -4.556 0.000 1.351) 4.752 3.693 ( 5.041 -0.000 -9.094) 10.398 3.701 ( 24.442 -0.000 20.341) 31.799 4.241 ( 7.047 -0.000 -6.514) 9.596 4.715 ( 3.430 -0.000 4.804) 5.903 4.716 ( 2.140 -0.000 -3.025) 3.706 4.909 ( -14.773 0.000 -6.459) 16.123 5.185 ( 19.548 -0.000 1.652) 19.618 5.621 ( -13.877 0.000 -0.194) 13.878 5.624 ( 5.311 -0.000 -1.469) 5.511 5.763 ( 2.632 -0.000 8.684) 9.074 5.795 ( -7.350 0.000 3.752) 8.252 6.392 ( 0.323 -0.000 -14.195) 14.199 6.521 ( -2.652 0.000 -6.055) 6.610 6.652 ( -0.122 0.000 3.393) 3.395 6.967 ( -0.885 0.000 -1.090) 1.405 7.156 ( 7.739 -0.000 5.342) 9.404 7.203 ( -1.012 0.000 1.449) 1.768 7.541 ( 2.256 -0.000 -2.228) 3.170 7.934 ( 0.315 -0.000 3.695) 3.708 8.152 ( 2.809 -0.000 8.800) 9.237 8.322 ( 3.808 -0.000 5.195) 6.441 8.600 ( -6.461 0.000 -2.419) 6.899 8.610 ( -4.201 0.000 0.803) 4.277 8.946 ( -2.090 0.000 5.102) 5.514 9.311 ( -0.970 0.000 -10.588) 10.633 9.579 ( 8.895 -0.000 -4.079) 9.786 9.580 ( 0.375 -0.000 1.851) 1.889 10.020 ( -0.406 0.000 1.040) 1.117 10.100 ( -8.009 0.000 6.014) 10.016 10.233 ( -3.128 0.000 -3.101) 4.404 11.602 ( 0.021 -0.000 0.797) 0.797 11.760 ( -6.682 0.000 -9.130) 11.314 12.141 ( 1.191 -0.000 3.180) 3.396 13.051 ( -0.844 0.000 1.377) 1.615 13.574 ( 1.292 -0.000 -2.246) 2.591======================= Grid point 178 (68/355) =======================q-point: ( 0.25 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 5.859 3.949 1.262) 7.177 1.940 ( 6.809 -4.538 7.459) 11.072 2.317 ( -3.638 0.007 -0.310) 3.651 2.339 ( -6.046 -0.327 -3.516) 7.002 2.884 ( 15.271 1.893 -6.610) 16.748 2.993 ( 2.896 -2.494 1.175) 3.999 3.335 ( -1.758 -0.113 5.858) 6.118 3.782 ( 5.984 0.274 -8.843) 10.681 4.104 ( 14.535 -0.825 16.286) 21.845 4.384 ( 7.989 2.453 -2.476) 8.716 4.558 ( -15.351 1.135 -2.044) 15.528 4.682 ( -6.715 0.034 -7.647) 10.177 4.789 ( 0.896 -1.546 -3.715) 4.122 5.316 ( -8.626 -0.161 3.941) 9.485 5.543 ( 8.914 0.061 -4.064) 9.797 5.662 ( -0.749 4.267 2.959) 5.247 5.713 ( -1.492 -0.740 4.398) 4.703 5.876 ( 7.335 -1.957 3.769) 8.476 6.308 ( -11.907 0.493 -11.058) 16.258 6.380 ( -1.355 -3.080 -12.918) 13.349 6.781 ( 6.900 1.729 9.578) 11.931 6.941 ( -0.728 -1.021 1.174) 1.718 7.186 ( -0.906 0.529 3.856) 3.996 7.332 ( 8.950 0.708 9.835) 13.317 7.562 ( 1.019 1.250 1.676) 2.326 7.964 ( 2.070 -1.721 1.709) 3.188 8.223 ( 3.044 1.529 3.665) 5.003 8.336 ( -2.062 -2.897 -3.626) 5.079 8.531 ( -0.689 0.147 -1.703) 1.843 8.577 ( 0.024 -0.312 7.419) 7.425 8.880 ( -4.411 1.745 5.630) 7.362 9.228 ( -5.940 -1.384 -10.069) 11.773 9.612 ( 2.943 9.474 1.917) 10.104 9.711 ( 4.560 -5.206 -3.203) 7.626 9.982 ( -5.510 -3.229 2.929) 7.026 10.044 ( 1.671 -0.036 0.930) 1.912 10.210 ( 2.541 0.728 -1.905) 3.258 11.462 ( -11.362 -1.971 -10.043) 15.292 11.758 ( 4.277 3.063 1.562) 5.487 12.158 ( 0.058 -1.410 0.549) 1.514 13.037 ( -0.580 -0.021 1.905) 1.991 13.591 ( 0.610 -0.236 -1.881) 1.992======================= Grid point 179 (69/355) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( -2.657 3.041 -0.122) 4.040 2.006 ( 4.374 -1.141 0.220) 4.526 2.226 ( -3.773 0.852 -1.693) 4.222 2.340 ( 5.774 -2.079 5.775) 8.427 3.042 ( 5.258 3.487 -0.218) 6.312 3.137 ( 4.711 -3.483 2.292) 6.291 3.300 ( -1.707 -0.742 4.499) 4.868 3.851 ( 0.161 2.215 -13.668) 13.848 4.251 ( -6.349 -0.568 9.967) 11.831 4.320 ( 1.620 2.941 -0.901) 3.477 4.476 ( -7.121 -2.592 -3.317) 8.272 4.517 ( -1.616 -0.411 -6.219) 6.439 4.827 ( 2.751 -0.805 1.038) 3.049 5.199 ( -1.956 0.047 0.506) 2.021 5.587 ( -4.825 4.083 1.988) 6.626 5.642 ( 0.177 0.086 -3.952) 3.957 5.722 ( 1.604 -0.023 5.169) 5.412 5.925 ( -7.494 -0.925 -7.616) 10.725 6.211 ( 6.514 -0.739 -1.430) 6.710 6.355 ( -2.049 -5.445 -10.583) 12.076 6.860 ( 2.021 2.904 8.771) 9.458 6.957 ( 0.593 -1.315 5.405) 5.594 7.182 ( 0.613 -0.437 6.563) 6.606 7.479 ( 6.052 1.418 5.294) 8.165 7.602 ( 3.599 0.589 12.681) 13.194 8.020 ( 2.823 0.690 -1.685) 3.359 8.194 ( -3.103 5.184 -3.540) 7.002 8.358 ( 0.761 -8.684 -4.719) 9.913 8.537 ( 0.644 0.050 -2.153) 2.248 8.592 ( 0.615 0.994 7.156) 7.251 8.797 ( -2.382 4.182 5.261) 7.130 9.130 ( -4.591 -5.062 -4.807) 8.356 9.576 ( 0.185 11.345 0.580) 11.361 9.800 ( -0.898 -9.591 0.587) 9.651 9.924 ( -1.446 -0.706 -0.801) 1.797 10.043 ( -1.318 -0.407 0.044) 1.380 10.331 ( 10.347 5.512 -1.057) 11.771 11.247 ( -11.887 -6.410 -11.194) 17.541 11.833 ( 5.006 3.676 3.019) 6.906 12.161 ( -0.113 -0.481 -2.368) 2.419 13.036 ( 0.362 0.137 2.015) 2.052 13.600 ( 0.567 -0.087 -1.751) 1.843======================= Grid point 180 (70/355) =======================q-point: (-0.58 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -8.436 8.231 1.194) 11.847 2.093 ( -0.917 -0.506 2.194) 2.431 2.240 ( 7.021 -2.272 -0.324) 7.387 2.495 ( 6.865 -0.832 2.203) 7.257 3.034 ( -4.257 3.508 3.625) 6.601 3.115 ( -6.191 -0.655 6.958) 9.337 3.346 ( 3.940 -0.998 1.844) 4.463 3.702 ( -9.490 5.494 -13.836) 17.655 4.117 ( -9.471 -1.493 5.168) 10.892 4.224 ( -12.467 -8.506 -15.164) 21.394 4.459 ( 4.095 2.483 1.985) 5.184 4.521 ( 2.250 -0.330 3.281) 3.992 4.904 ( 4.974 -0.326 2.652) 5.646 5.218 ( 0.665 -0.051 -0.260) 0.716 5.454 ( -8.224 1.241 0.605) 8.339 5.572 ( -3.468 0.633 -3.887) 5.247 5.707 ( -9.072 1.704 -7.622) 11.971 5.775 ( -0.082 -0.652 -0.403) 0.771 6.328 ( 0.954 -4.259 -5.632) 7.125 6.441 ( 10.392 -4.273 0.337) 11.242 6.849 ( -2.672 0.507 8.643) 9.060 6.984 ( 2.095 1.166 5.759) 6.238 7.229 ( 2.360 -2.014 9.449) 9.945 7.573 ( 5.029 0.826 2.722) 5.778 7.699 ( 4.517 0.795 21.141) 21.633 8.012 ( -2.143 5.664 -9.042) 10.883 8.109 ( -2.723 4.622 -2.367) 5.864 8.368 ( -3.856 -6.149 -4.145) 8.358 8.548 ( 0.170 -2.904 -2.747) 4.001 8.627 ( 4.035 0.911 4.678) 6.245 8.778 ( 2.578 5.633 2.632) 6.731 9.109 ( -1.288 -7.983 0.379) 8.095 9.537 ( 0.999 6.964 -0.182) 7.038 9.730 ( -9.073 -4.284 -0.595) 10.051 9.942 ( 1.345 -0.994 0.033) 1.673 10.017 ( -1.573 -0.559 -1.109) 2.004 10.485 ( 9.545 10.992 -0.936) 14.588 11.090 ( -8.026 -12.512 -9.992) 17.911 11.911 ( 4.552 2.828 3.598) 6.455 12.158 ( 0.523 1.342 -5.284) 5.477 13.047 ( 0.491 0.301 1.677) 1.773 13.618 ( 1.866 0.448 -2.100) 2.845======================= Grid point 181 (71/355) =======================q-point: (-0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( -6.838 14.497 2.552) 16.231 2.011 ( -7.402 1.986 4.484) 8.879 2.392 ( 3.845 -1.952 1.022) 4.431 2.543 ( -2.559 -4.317 1.176) 5.154 2.859 ( -10.861 5.567 2.023) 12.371 3.055 ( -0.401 -1.169 5.311) 5.453 3.350 ( -8.273 3.579 2.153) 9.268 3.526 ( -1.462 2.742 -6.712) 7.397 3.912 ( -10.625 -1.655 -6.302) 12.463 4.051 ( -9.373 -8.953 -4.208) 13.628 4.416 ( -3.506 2.192 5.778) 7.105 4.657 ( 6.395 -1.272 -0.681) 6.556 5.018 ( 2.794 -1.288 -1.096) 3.266 5.088 ( -12.347 -2.822 -0.014) 12.665 5.251 ( -10.570 0.475 -1.441) 10.679 5.525 ( -6.323 1.896 -9.302) 11.406 5.629 ( 6.190 -0.910 -2.633) 6.788 5.790 ( 2.706 0.830 -0.529) 2.880 6.400 ( 5.310 -3.534 -1.971) 6.676 6.647 ( 7.869 -4.406 2.277) 9.301 6.807 ( -2.017 -1.302 9.814) 10.104 7.019 ( 1.267 1.723 6.147) 6.508 7.286 ( 1.213 -2.152 9.028) 9.360 7.674 ( 5.110 0.803 5.430) 7.499 7.776 ( 2.067 1.588 16.507) 16.712 7.916 ( -2.957 3.819 -8.576) 9.842 7.994 ( -5.995 7.895 -3.090) 10.383 8.317 ( -1.894 -0.759 1.535) 2.554 8.554 ( -2.786 -8.590 -4.500) 10.090 8.743 ( 6.757 -0.460 7.288) 9.949 8.830 ( 6.084 5.865 -1.617) 8.604 9.146 ( 0.560 -7.242 0.127) 7.265 9.535 ( -9.451 0.021 -0.009) 9.451 9.545 ( -0.356 1.250 -5.040) 5.205 9.952 ( -1.129 -1.046 1.741) 2.324 9.989 ( -1.133 0.433 -2.389) 2.679 10.561 ( 4.691 10.255 -1.507) 11.377 11.072 ( -0.188 -12.186 -6.268) 13.704 11.969 ( 2.093 2.411 3.082) 4.438 12.164 ( 1.886 2.010 -6.501) 7.062 13.044 ( -1.199 -0.190 1.165) 1.683 13.672 ( 5.230 2.494 -3.461) 6.749======================= Grid point 182 (72/355) =======================q-point: (-0.42 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( -5.911 20.061 5.247) 21.562 1.786 ( -13.964 8.321 3.403) 16.607 2.280 ( -14.191 1.690 0.541) 14.301 2.503 ( -6.820 -6.480 2.070) 9.633 2.708 ( -5.488 -1.691 8.655) 10.387 2.895 ( -18.862 2.535 -0.196) 19.033 3.163 ( -2.581 4.776 0.823) 5.491 3.542 ( 0.793 -2.293 -3.419) 4.192 3.800 ( -0.586 1.780 -3.022) 3.556 3.967 ( -3.150 -6.483 -4.287) 8.386 4.364 ( -1.338 -0.429 5.603) 5.776 4.637 ( -20.507 -1.492 -0.316) 20.564 4.750 ( -5.547 -1.013 2.992) 6.384 5.067 ( -7.732 -0.739 -4.004) 8.738 5.179 ( 5.524 -3.619 -6.360) 9.169 5.466 ( 2.309 2.527 -6.229) 7.108 5.660 ( -2.032 -3.875 -4.120) 6.010 5.954 ( 13.000 2.375 0.620) 13.230 6.545 ( 7.639 -1.613 1.088) 7.883 6.780 ( 3.995 -4.207 3.064) 6.561 6.816 ( 0.583 -3.300 11.327) 11.812 7.015 ( -1.142 2.011 7.458) 7.808 7.300 ( -1.877 -1.857 6.253) 6.788 7.698 ( -1.359 4.725 4.471) 6.645 7.815 ( -7.576 7.750 -2.119) 11.043 7.836 ( 1.966 -2.492 7.887) 8.502 7.861 ( -0.375 2.295 -5.218) 5.713 8.328 ( 2.194 1.267 5.502) 6.057 8.535 ( -3.404 -11.880 -1.549) 12.455 8.833 ( 2.822 3.557 3.853) 5.956 8.965 ( 8.357 -0.165 3.410) 9.028 9.181 ( -0.528 -0.856 -6.117) 6.199 9.333 ( -6.720 -0.587 -3.187) 7.461 9.581 ( 1.179 -5.416 -3.343) 6.473 9.925 ( -1.835 0.250 2.035) 2.752 9.963 ( -1.164 0.543 -3.538) 3.764 10.573 ( 1.229 4.880 -1.736) 5.324 11.171 ( 5.710 -5.258 -1.802) 7.968 11.950 ( -2.418 4.461 -0.908) 5.155 12.202 ( 2.542 -1.009 -2.892) 3.980 12.994 ( -4.852 -1.347 0.999) 5.133 13.795 ( 11.106 7.165 -6.541) 14.747======================= Grid point 183 (73/355) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -5.007 22.469 10.518) 25.309 1.423 ( -16.681 16.659 0.640) 23.584 1.935 ( -20.148 2.963 -0.009) 20.364 2.240 ( -28.723 2.642 17.960) 33.979 2.425 ( -11.559 -4.873 7.428) 14.579 2.773 ( -1.929 -5.813 -4.602) 7.661 3.131 ( 1.902 4.262 -0.995) 4.772 3.580 ( 2.159 -2.929 -1.930) 4.119 3.768 ( -3.971 1.089 -0.678) 4.173 3.983 ( 1.019 -4.843 -5.542) 7.430 4.189 ( -22.858 -2.252 0.100) 22.969 4.400 ( 4.861 1.029 3.709) 6.200 4.660 ( -5.938 1.483 5.031) 7.923 4.950 ( -4.324 -1.262 -5.391) 7.025 5.298 ( 5.397 -3.066 -6.909) 9.287 5.539 ( 5.836 2.058 -2.371) 6.627 5.657 ( 1.244 -2.550 -4.585) 5.392 6.176 ( 10.466 1.601 1.181) 10.653 6.654 ( 1.967 -1.037 3.831) 4.430 6.861 ( 3.720 -2.854 2.369) 5.253 6.880 ( 1.463 -2.725 6.820) 7.489 7.007 ( 1.565 -1.888 11.133) 11.400 7.244 ( -5.302 -1.942 3.956) 6.894 7.635 ( -4.302 5.596 2.806) 7.596 7.645 ( -5.057 5.113 2.494) 7.612 7.780 ( -5.578 -3.615 -1.791) 6.884 7.902 ( -0.551 -2.446 -1.554) 2.950 8.351 ( -0.998 -4.865 -3.527) 6.091 8.581 ( 2.513 -5.390 9.398) 11.122 8.826 ( -1.369 5.996 -1.229) 6.272 9.074 ( -0.004 -2.661 6.313) 6.851 9.098 ( 0.091 4.996 -10.004) 11.183 9.372 ( 5.706 -1.187 2.838) 6.482 9.649 ( 2.722 -11.145 -4.669) 12.386 9.876 ( -3.009 1.652 -0.111) 3.434 9.948 ( 0.063 -1.168 -2.995) 3.215 10.560 ( -0.812 1.108 -1.413) 1.971 11.325 ( 9.303 1.692 1.634) 9.596 11.837 ( -6.244 5.350 -3.438) 8.913 12.247 ( 0.119 -5.497 0.920) 5.575 12.875 ( -8.655 -2.086 2.045) 9.134 14.007 ( 17.747 14.045 -12.265) 25.742======================= Grid point 184 (74/355) =======================q-point: (-0.25 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -12.611 19.516 8.095) 24.606 1.072 ( -9.007 22.226 11.658) 26.665 1.476 ( -20.095 16.962 14.908) 30.229 1.799 ( -16.532 -7.965 18.015) 25.716 2.276 ( -6.922 -1.560 9.005) 11.465 2.768 ( -1.664 -9.029 -6.325) 11.149 3.174 ( 4.116 5.524 0.025) 6.888 3.595 ( -7.111 -2.812 -2.856) 8.163 3.662 ( -1.135 0.282 -0.456) 1.255 3.838 ( -11.508 -3.602 -8.242) 14.606 4.071 ( 3.725 -4.026 0.870) 5.554 4.519 ( 7.775 4.191 2.814) 9.270 4.549 ( -4.748 1.567 4.254) 6.565 4.909 ( -0.056 0.047 -2.959) 2.960 5.367 ( 1.328 0.940 -5.363) 5.604 5.651 ( 6.685 -0.954 -1.240) 6.866 5.729 ( 5.714 1.638 -2.187) 6.334 6.301 ( 2.795 0.462 2.600) 3.845 6.675 ( -0.023 -3.241 5.184) 6.113 6.892 ( 0.279 0.247 2.126) 2.158 6.950 ( 3.643 -0.327 0.584) 3.704 7.098 ( 0.166 -7.846 7.956) 11.175 7.153 ( -4.402 -3.749 1.853) 6.071 7.513 ( -10.500 -5.043 8.655) 14.512 7.559 ( -1.708 1.788 4.063) 4.756 7.589 ( -17.222 -3.928 -7.235) 19.089 7.889 ( 0.891 0.014 -0.131) 0.901 8.352 ( -1.166 -4.520 -7.758) 9.054 8.641 ( 1.566 1.466 3.246) 3.891 8.754 ( -2.465 0.634 -2.285) 3.421 9.016 ( -4.771 0.880 1.323) 5.028 9.213 ( 14.129 9.045 4.111) 17.273 9.443 ( 0.344 -3.177 1.307) 3.452 9.760 ( -2.234 -7.928 -0.829) 8.279 9.847 ( 5.415 -1.716 -0.781) 5.734 9.973 ( 1.612 -2.921 -0.612) 3.392 10.527 ( -2.589 -1.247 -1.309) 3.158 11.479 ( 7.609 9.677 2.934) 12.655 11.690 ( -4.678 1.625 -3.304) 5.953 12.250 ( -4.633 -10.822 5.667) 13.065 12.719 ( -7.730 -0.644 4.496) 8.966 14.275 ( 20.201 20.147 -23.582) 37.015======================= Grid point 185 (75/355) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 1.915 19.830 13.661) 24.156 0.732 ( -13.938 8.061 28.137) 32.418 1.311 ( 14.729 34.221 26.212) 45.553 1.710 ( -3.234 -17.582 15.590) 23.720 2.213 ( -0.972 1.714 11.690) 11.855 2.797 ( -0.335 -10.131 -6.244) 11.905 3.178 ( -0.933 6.595 -3.301) 7.434 3.508 ( -0.587 -2.764 -2.323) 3.658 3.607 ( -3.178 -1.360 -3.291) 4.773 3.777 ( 1.036 -5.450 -5.701) 7.955 4.192 ( 5.368 -4.428 -4.923) 8.524 4.459 ( -4.342 2.974 1.538) 5.483 4.627 ( 4.364 4.637 4.076) 7.561 4.930 ( 1.901 0.741 -1.384) 2.465 5.371 ( 4.035 4.567 0.589) 6.123 5.765 ( 3.202 2.666 2.572) 4.896 5.825 ( 5.335 -0.717 -2.467) 5.921 6.311 ( -0.909 0.174 2.378) 2.551 6.640 ( -13.844 -6.702 7.746) 17.221 6.842 ( -10.148 2.133 -4.340) 11.242 6.948 ( -5.059 -1.036 1.548) 5.391 7.013 ( -6.428 -3.283 1.891) 7.462 7.094 ( -6.977 -1.564 -3.964) 8.176 7.220 ( -0.543 -3.160 1.471) 3.528 7.429 ( -4.752 0.965 -1.131) 4.980 7.693 ( 11.171 -7.785 10.618) 17.266 7.939 ( 3.691 0.352 4.545) 5.866 8.331 ( -1.543 -2.200 -6.077) 6.645 8.683 ( 3.935 -0.200 -3.307) 5.144 8.722 ( -1.407 -2.362 -0.792) 2.861 8.888 ( -7.286 2.096 2.138) 7.877 9.399 ( -0.606 -2.788 1.481) 3.215 9.485 ( 3.978 3.727 -2.456) 5.979 9.760 ( 4.049 -2.456 2.424) 5.321 9.996 ( 5.075 -2.922 1.878) 6.150 10.066 ( 9.715 -7.329 7.545) 14.319 10.477 ( -3.234 -2.041 -1.613) 4.151 11.441 ( -2.943 9.425 -2.464) 10.176 11.715 ( 4.662 0.726 3.067) 5.628 12.251 ( -0.266 -13.438 11.593) 17.750 12.641 ( -0.191 0.176 6.539) 6.544 14.382 ( 0.991 25.749 -37.826) 45.769======================= Grid point 186 (76/355) =======================q-point: (-0.08 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 13.909 5.782 15.178) 21.384 0.858 ( 16.316 13.192 17.840) 27.541 1.656 ( 30.137 18.118 30.553) 46.583 1.816 ( 6.472 -8.236 16.317) 19.390 2.278 ( 10.397 4.746 10.166) 15.296 2.810 ( -3.498 -8.572 -6.823) 11.501 3.080 ( -4.810 8.181 -5.362) 10.900 3.521 ( 1.524 -3.051 -8.095) 8.784 3.663 ( 2.879 -7.237 -3.962) 8.738 3.868 ( 8.207 -2.475 -0.811) 8.610 4.208 ( -3.825 0.561 -1.990) 4.348 4.421 ( 3.178 -1.170 -2.621) 4.282 4.618 ( -1.368 5.189 6.254) 8.240 4.991 ( 5.849 -0.062 0.233) 5.854 5.524 ( 9.238 -1.754 2.757) 9.799 5.721 ( -4.494 2.372 6.860) 8.537 5.928 ( 4.154 -1.387 -0.685) 4.433 6.239 ( -7.244 -0.747 0.387) 7.293 6.370 ( -5.072 4.698 4.621) 8.315 6.674 ( -7.236 1.602 -2.178) 7.725 6.874 ( -7.590 -1.629 -3.633) 8.571 6.972 ( 0.343 -1.248 -3.384) 3.623 7.034 ( 0.717 0.647 0.844) 1.283 7.293 ( 3.500 -1.065 -4.655) 5.921 7.362 ( -1.704 0.444 -3.574) 3.984 7.921 ( 6.770 -4.525 5.776) 9.983 8.000 ( 1.228 1.050 4.890) 5.150 8.323 ( -2.506 -5.218 -1.542) 5.991 8.717 ( 0.413 -4.584 0.982) 4.706 8.758 ( 0.395 0.381 -2.281) 2.346 8.814 ( 3.453 -1.359 -0.502) 3.744 9.358 ( -3.470 -2.198 0.560) 4.145 9.413 ( -6.628 0.770 -3.664) 7.612 9.786 ( -1.856 2.839 -0.098) 3.394 10.064 ( 1.459 -1.826 5.050) 5.564 10.352 ( -0.800 -17.827 6.583) 19.021 10.463 ( 5.619 3.406 -3.975) 7.680 11.358 ( -0.634 1.582 -4.116) 4.455 11.831 ( 6.860 -1.146 7.026) 9.887 12.324 ( -2.427 -6.398 -0.075) 6.844 12.772 ( 10.373 -8.617 7.667) 15.512 13.980 ( -16.103 33.866 -21.379) 43.166======================= Grid point 190 (77/355) =======================q-point: ( 0.25 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( -4.292 0.000 0.705) 4.350 1.995 ( 7.227 -0.000 0.194) 7.230 2.230 ( -5.156 0.000 -2.423) 5.697 2.329 ( 6.549 -0.000 5.845) 8.778 3.074 ( 4.772 -0.000 5.027) 6.931 3.104 ( 6.294 -0.000 -3.810) 7.357 3.296 ( -2.363 0.000 4.989) 5.520 3.862 ( 1.124 -0.000 -13.045) 13.093 4.248 ( -6.192 0.000 11.504) 13.064 4.341 ( 1.453 -0.000 0.644) 1.589 4.452 ( -13.193 0.000 -11.445) 17.465 4.520 ( 2.481 -0.000 -1.086) 2.709 4.823 ( 3.051 -0.000 0.949) 3.195 5.200 ( -1.715 0.000 0.380) 1.756 5.612 ( -5.963 0.000 2.489) 6.462 5.642 ( 0.051 -0.000 -3.828) 3.829 5.719 ( 2.027 -0.000 5.251) 5.628 5.920 ( -6.638 0.000 -7.599) 10.091 6.208 ( 6.081 -0.000 -1.759) 6.331 6.325 ( -2.092 0.000 -10.786) 10.987 6.877 ( 1.179 -0.000 9.780) 9.851 6.947 ( 1.527 -0.000 3.875) 4.165 7.180 ( 0.121 -0.000 6.706) 6.707 7.486 ( 5.939 -0.000 4.986) 7.754 7.605 ( 3.306 -0.000 13.195) 13.603 8.023 ( 3.970 -0.000 -1.260) 4.165 8.247 ( -4.438 0.000 -6.340) 7.739 8.287 ( 2.104 -0.000 -2.897) 3.580 8.538 ( 0.404 -0.000 -2.011) 2.051 8.597 ( 0.899 -0.000 7.969) 8.019 8.821 ( -2.051 0.000 7.139) 7.427 9.101 ( -5.263 0.000 -7.302) 9.001 9.688 ( -1.809 0.000 -4.161) 4.537 9.697 ( -0.134 0.000 6.294) 6.296 9.921 ( -0.187 0.000 -1.067) 1.083 10.041 ( -1.454 0.000 -0.055) 1.455 10.362 ( 11.537 -0.000 -1.070) 11.587 11.212 ( -12.939 0.000 -11.357) 17.216 11.852 ( 4.460 -0.000 2.868) 5.303 12.158 ( 0.389 -0.000 -2.393) 2.425 13.037 ( 0.416 -0.000 2.049) 2.090 13.600 ( 0.641 -0.000 -1.775) 1.887======================= Grid point 191 (78/355) =======================q-point: (-0.67 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( -5.792 4.479 4.232) 8.457 2.076 ( -3.040 -1.949 0.464) 3.641 2.224 ( 7.875 -0.733 -0.491) 7.924 2.491 ( 6.969 -0.103 1.741) 7.184 3.065 ( -4.552 1.967 9.920) 11.090 3.109 ( -5.860 -0.435 3.184) 6.683 3.334 ( 5.415 -0.888 -0.897) 5.560 3.745 ( -9.682 2.464 -13.919) 17.133 4.106 ( -8.604 -0.360 7.755) 11.589 4.157 ( -15.106 -3.753 -17.442) 23.377 4.473 ( 8.779 0.476 0.191) 8.794 4.522 ( -2.101 0.288 5.098) 5.522 4.902 ( 5.072 -0.097 3.180) 5.988 5.221 ( 0.141 0.384 0.152) 0.437 5.462 ( -9.489 0.414 1.446) 9.608 5.576 ( -3.210 0.215 -3.977) 5.115 5.722 ( -9.990 0.954 -10.353) 14.419 5.765 ( 0.848 -0.960 1.391) 1.891 6.302 ( 0.966 -1.107 -6.366) 6.534 6.407 ( 11.182 -1.877 1.281) 11.411 6.852 ( -3.603 0.146 8.555) 9.284 6.993 ( 2.556 0.469 4.914) 5.559 7.214 ( 2.251 -0.753 9.569) 9.859 7.580 ( 4.689 0.333 2.140) 5.165 7.705 ( 4.697 0.313 22.008) 22.506 8.055 ( -1.684 2.208 -8.493) 8.935 8.160 ( -1.778 4.440 -3.345) 5.836 8.301 ( -2.112 -5.477 -6.359) 8.654 8.528 ( -1.526 -0.949 -2.578) 3.142 8.635 ( 3.319 0.441 7.206) 7.946 8.827 ( 2.776 3.175 4.329) 6.044 9.042 ( -1.374 -4.015 -1.964) 4.676 9.608 ( -2.231 6.311 0.072) 6.694 9.679 ( -5.469 -5.243 0.320) 7.582 9.934 ( 0.719 -0.435 0.319) 0.899 10.013 ( -1.289 -0.247 -1.384) 1.908 10.583 ( 12.224 6.315 -0.640) 13.774 10.982 ( -10.859 -6.790 -10.592) 16.620 11.931 ( 3.866 1.028 3.324) 5.201 12.167 ( 1.017 0.448 -5.357) 5.471 13.049 ( 0.435 0.111 1.659) 1.719 13.621 ( 2.229 0.166 -2.173) 3.117======================= Grid point 192 (79/355) =======================q-point: (-0.58 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( -4.123 12.435 5.866) 14.354 1.996 ( -6.597 -4.377 3.995) 8.868 2.390 ( 5.585 1.210 -0.003) 5.715 2.502 ( -5.452 -3.496 2.482) 6.936 2.908 ( -12.069 3.647 5.267) 13.664 3.046 ( 0.486 -0.538 4.804) 4.859 3.391 ( -3.376 4.152 -2.333) 5.838 3.534 ( -7.169 -1.039 -8.998) 11.551 3.892 ( -9.310 -1.921 -13.989) 16.913 3.978 ( -7.999 -4.736 4.687) 10.411 4.440 ( -4.661 1.882 5.939) 7.781 4.646 ( 6.853 -0.755 -0.426) 6.907 5.013 ( 2.340 0.327 -0.191) 2.370 5.060 ( -12.975 -2.478 0.373) 13.215 5.258 ( -11.173 0.675 0.135) 11.194 5.543 ( -6.117 1.373 -9.887) 11.707 5.613 ( 3.192 -1.830 -3.284) 4.932 5.796 ( 4.638 0.443 0.159) 4.661 6.377 ( 6.713 -1.160 -1.835) 7.055 6.608 ( 7.916 -2.907 2.403) 8.769 6.795 ( -2.659 -0.821 9.030) 9.449 7.034 ( 1.314 1.014 5.256) 5.512 7.269 ( 1.609 -1.119 9.472) 9.673 7.679 ( 5.458 0.308 4.970) 7.388 7.790 ( 2.050 0.983 19.687) 19.818 7.950 ( -5.137 2.387 -11.354) 12.688 8.083 ( -3.637 8.917 -3.441) 10.226 8.288 ( -0.518 -4.913 -1.324) 5.115 8.475 ( -5.632 -5.684 -4.840) 9.352 8.742 ( 6.736 0.161 9.534) 11.675 8.887 ( 5.312 4.820 -0.743) 7.211 9.079 ( 2.318 -5.461 -0.129) 5.934 9.541 ( -8.230 0.887 -0.267) 8.282 9.553 ( -3.342 0.284 -4.628) 5.715 9.940 ( -0.687 -0.960 2.502) 2.767 9.991 ( -0.930 0.069 -2.289) 2.472 10.674 ( 1.550 11.269 -3.756) 11.979 10.944 ( 3.299 -12.276 -3.783) 13.263 11.990 ( 2.491 1.567 3.476) 4.554 12.179 ( 1.086 0.876 -7.361) 7.492 13.043 ( -1.544 -0.081 1.065) 1.877 13.693 ( 6.430 1.389 -3.744) 7.569======================= Grid point 193 (80/355) =======================q-point: (-0.50 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -4.706 17.315 6.753) 19.172 1.841 ( -12.088 2.011 6.798) 14.013 2.302 ( -9.221 0.879 4.342) 10.230 2.443 ( -8.959 -3.508 -0.951) 9.668 2.699 ( -8.851 -0.299 9.630) 13.083 2.917 ( -16.125 1.590 -5.469) 17.101 3.209 ( -5.743 4.028 -2.437) 7.427 3.504 ( 0.440 -4.361 -5.629) 7.134 3.827 ( 1.027 2.930 -3.545) 4.713 3.903 ( -2.431 -5.543 0.435) 6.068 4.365 ( -1.945 0.365 5.577) 5.917 4.627 ( -22.437 -0.607 -0.410) 22.449 4.734 ( -2.529 -1.736 3.479) 4.638 5.060 ( -8.915 -0.432 -2.286) 9.213 5.150 ( 5.643 -2.010 -5.339) 8.024 5.492 ( 2.594 2.360 -6.236) 7.155 5.613 ( -2.516 -4.639 -3.296) 6.222 5.977 ( 12.653 1.922 0.748) 12.819 6.540 ( 9.290 0.324 0.607) 9.316 6.739 ( 4.426 -3.538 4.208) 7.058 6.785 ( -0.574 -2.555 9.445) 9.801 7.033 ( -1.123 1.483 6.406) 6.671 7.286 ( -1.516 -0.866 6.813) 7.033 7.738 ( -0.783 2.909 6.783) 7.422 7.818 ( 0.233 -0.955 8.975) 9.029 7.847 ( -4.859 0.368 -5.772) 7.554 7.944 ( -3.262 11.419 -6.176) 13.386 8.332 ( 0.386 -0.229 3.641) 3.669 8.399 ( -3.395 -13.956 -3.292) 14.736 8.860 ( 4.457 1.741 10.508) 11.546 8.977 ( 5.730 1.914 -0.178) 6.044 9.171 ( 4.991 -0.974 -3.957) 6.443 9.340 ( -8.487 2.045 -6.144) 10.676 9.522 ( -2.429 -5.915 -2.443) 6.846 9.926 ( -1.098 0.136 2.668) 2.889 9.966 ( -1.582 0.166 -3.201) 3.574 10.618 ( -1.615 3.713 -4.274) 5.887 11.122 ( 9.666 -3.953 1.885) 10.612 11.997 ( -1.031 4.254 1.122) 4.519 12.186 ( 0.148 -1.810 -5.222) 5.528 12.984 ( -5.085 -0.642 0.832) 5.192 13.856 ( 13.184 4.548 -7.280) 15.732======================= Grid point 194 (81/355) =======================q-point: (-0.42 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( -6.716 18.363 9.499) 21.738 1.547 ( -15.904 7.005 8.652) 19.413 2.018 ( -16.737 12.034 -1.016) 20.639 2.251 ( -18.954 -2.764 6.815) 20.331 2.376 ( -17.476 -1.480 11.540) 20.994 2.726 ( -4.203 -3.452 -6.574) 8.532 3.153 ( 0.921 -0.306 -1.080) 1.452 3.557 ( 2.973 -1.064 -4.265) 5.306 3.780 ( -4.694 1.092 0.079) 4.820 3.928 ( -0.166 -5.453 -2.324) 5.930 4.168 ( -22.626 -1.771 0.692) 22.705 4.412 ( 6.448 1.195 2.595) 7.053 4.672 ( -5.579 0.784 6.456) 8.568 4.935 ( -4.235 -1.536 -4.575) 6.421 5.272 ( 6.617 -1.978 -5.099) 8.585 5.550 ( 2.819 -0.258 -2.317) 3.658 5.634 ( 4.679 -1.303 -3.779) 6.154 6.194 ( 10.242 1.679 1.030) 10.430 6.659 ( 1.829 1.810 3.762) 4.558 6.822 ( 3.094 -4.269 3.857) 6.533 6.849 ( 4.660 -3.290 6.136) 8.378 7.004 ( -1.174 0.907 8.206) 8.339 7.229 ( -5.296 -0.909 3.976) 6.685 7.679 ( -6.951 2.652 5.153) 9.050 7.682 ( -8.568 1.367 4.574) 9.808 7.753 ( -5.385 -0.234 -4.427) 6.975 7.910 ( 0.659 3.554 -6.279) 7.245 8.290 ( -2.741 -6.808 -5.192) 8.990 8.511 ( 4.832 -7.278 8.229) 12.002 8.895 ( -0.190 6.875 3.052) 7.525 9.054 ( 1.506 -1.173 5.920) 6.220 9.145 ( 0.140 4.245 -10.267) 11.111 9.359 ( 5.491 -1.101 2.847) 6.283 9.533 ( 0.937 -10.916 -3.751) 11.580 9.893 ( -2.526 1.503 -0.227) 2.949 9.936 ( -0.854 -1.036 -2.621) 2.945 10.571 ( -1.881 1.053 -3.242) 3.893 11.338 ( 11.863 0.872 4.922) 12.873 11.900 ( -5.840 6.722 -2.155) 9.162 12.188 ( -2.294 -5.970 -0.187) 6.398 12.862 ( -7.891 -0.562 1.628) 8.077 14.124 ( 19.209 8.745 -13.071) 24.825======================= Grid point 195 (82/355) =======================q-point: (-0.33 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -9.658 20.246 7.685) 23.711 1.198 ( -20.248 4.846 17.702) 27.329 1.667 ( -11.870 9.068 4.147) 15.503 1.805 ( -14.556 15.773 15.278) 26.345 2.238 ( -5.706 -4.965 8.136) 11.109 2.690 ( -1.792 -5.549 -5.215) 7.823 3.215 ( 4.509 1.347 1.850) 5.057 3.564 ( -6.004 -2.540 -5.494) 8.525 3.663 ( -3.402 0.015 -2.424) 4.177 3.797 ( -11.398 -4.120 -7.016) 14.004 4.021 ( 2.273 -5.362 3.617) 6.855 4.554 ( 3.947 1.961 5.963) 7.416 4.565 ( -0.901 2.172 2.686) 3.570 4.902 ( 0.002 -1.187 -2.707) 2.956 5.380 ( 4.176 1.569 -2.662) 5.195 5.626 ( 5.510 -3.169 -2.790) 6.942 5.760 ( 8.031 3.580 -0.961) 8.845 6.311 ( 2.324 1.359 1.939) 3.318 6.647 ( -1.780 -2.107 6.326) 6.901 6.884 ( 1.295 -1.453 2.254) 2.978 6.955 ( 4.341 0.727 -0.525) 4.432 7.026 ( 0.584 -5.441 7.669) 9.421 7.122 ( -6.256 -2.284 2.045) 6.966 7.409 ( -20.500 -9.260 4.176) 22.878 7.578 ( -5.957 2.505 3.633) 7.413 7.633 ( -3.959 5.140 -4.872) 8.113 7.899 ( 1.461 1.747 -2.647) 3.492 8.305 ( 0.853 -4.451 -7.000) 8.339 8.616 ( 1.772 -5.192 5.696) 7.909 8.796 ( -4.174 6.567 -5.648) 9.615 9.027 ( -3.557 1.377 1.677) 4.166 9.273 ( 11.868 3.021 6.669) 13.944 9.406 ( 0.223 -3.969 -0.978) 4.094 9.666 ( 3.467 -8.600 1.661) 9.420 9.849 ( 1.161 1.036 -2.151) 2.655 9.944 ( 0.786 -2.683 -0.681) 2.877 10.525 ( -2.308 0.532 -3.129) 3.924 11.558 ( 11.646 5.297 6.273) 14.249 11.725 ( -7.986 5.549 -3.342) 10.283 12.150 ( -5.641 -8.758 5.139) 11.616 12.722 ( -6.065 0.962 3.161) 6.907 14.430 ( 18.367 10.637 -21.759) 30.396======================= Grid point 196 (83/355) =======================q-point: (-0.25 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( -13.662 8.279 25.411) 30.015 0.913 ( 1.762 22.756 9.359) 24.668 1.533 ( -2.261 -10.412 14.085) 17.661 1.692 ( 11.999 31.483 18.159) 38.274 2.212 ( 0.600 -1.705 11.203) 11.348 2.702 ( -0.146 -7.297 -4.875) 8.777 3.244 ( -0.964 5.621 -2.155) 6.097 3.476 ( 0.717 -3.400 -2.047) 4.033 3.610 ( -5.718 1.043 -5.582) 8.058 3.710 ( 1.203 -7.254 -6.953) 10.120 4.127 ( 3.652 -7.677 -0.980) 8.558 4.478 ( -4.022 0.690 2.982) 5.055 4.662 ( 3.348 2.696 5.873) 7.278 4.928 ( 1.780 -1.015 -0.919) 2.246 5.423 ( 3.817 5.227 1.112) 6.567 5.768 ( 6.987 -1.869 -2.828) 7.766 5.844 ( 1.729 4.110 2.262) 5.000 6.313 ( -0.591 0.030 0.386) 0.707 6.577 ( -12.025 -5.318 8.989) 15.927 6.863 ( -6.730 1.942 -3.967) 8.050 6.939 ( -7.556 -0.750 0.489) 7.608 6.987 ( -2.156 -1.831 0.690) 2.911 7.067 ( -2.304 -3.805 -4.467) 6.304 7.191 ( 1.226 -1.844 6.386) 6.759 7.440 ( -6.301 1.177 -1.389) 6.558 7.652 ( 7.592 -1.077 3.824) 8.568 7.947 ( 3.878 1.051 2.532) 4.749 8.318 ( -0.829 -0.670 -6.885) 6.967 8.647 ( -1.560 -5.929 2.081) 6.475 8.724 ( 0.537 2.281 -5.992) 6.434 8.918 ( -6.223 3.366 0.991) 7.144 9.354 ( -2.200 -5.010 2.199) 5.897 9.524 ( 2.772 3.282 -1.770) 4.646 9.723 ( 5.385 -4.700 5.443) 8.984 9.959 ( 6.786 -4.077 2.097) 8.190 9.995 ( 2.698 -5.539 4.829) 7.828 10.482 ( -0.594 2.057 -3.995) 4.533 11.528 ( -7.027 7.006 -3.071) 10.387 11.732 ( 6.094 2.917 5.639) 8.800 12.143 ( 1.654 -8.352 10.178) 13.269 12.654 ( -0.279 1.860 4.085) 4.497 14.564 ( 0.937 11.474 -30.428) 32.533======================= Grid point 197 (84/355) =======================q-point: (-0.17 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 12.064 10.969 11.314) 19.846 1.011 ( 15.858 16.399 14.846) 27.218 1.672 ( 7.271 -10.856 13.825) 19.022 1.931 ( 26.707 25.179 24.912) 44.360 2.313 ( 9.365 1.648 11.847) 15.191 2.728 ( -1.197 -6.597 -5.789) 8.858 3.159 ( -3.878 6.776 -4.770) 9.149 3.495 ( -2.265 -1.443 -8.672) 9.078 3.606 ( 6.265 -3.930 -3.886) 8.355 3.832 ( 9.570 -4.419 -1.204) 10.609 4.176 ( -3.169 -6.436 -2.562) 7.618 4.421 ( 0.375 0.490 -1.048) 1.217 4.658 ( -2.298 2.653 8.427) 9.129 4.987 ( 4.945 -0.732 0.132) 5.001 5.510 ( 5.463 -0.724 3.685) 6.629 5.754 ( -5.523 3.848 5.705) 8.824 5.906 ( 3.843 -2.844 1.216) 4.933 6.229 ( -7.593 -1.323 -2.553) 8.120 6.422 ( -1.189 5.217 4.024) 6.695 6.695 ( -7.699 2.167 -3.251) 8.634 6.854 ( -6.098 -1.983 -1.549) 6.597 6.966 ( -0.737 -0.052 -4.054) 4.121 7.031 ( -0.600 -1.170 0.503) 1.408 7.292 ( 5.076 0.813 -4.025) 6.529 7.360 ( -1.527 -0.687 -3.985) 4.323 7.867 ( 9.425 -5.424 6.260) 12.547 8.016 ( 2.754 1.707 4.948) 5.914 8.282 ( -2.410 -2.169 -5.084) 6.030 8.648 ( -1.050 -7.560 3.170) 8.265 8.771 ( 3.586 -0.357 -6.150) 7.128 8.811 ( -1.690 2.014 1.158) 2.873 9.334 ( -1.828 -2.225 1.610) 3.299 9.420 ( -8.175 0.593 -3.889) 9.072 9.809 ( -0.251 1.346 -0.700) 1.538 10.040 ( 1.346 -2.689 5.757) 6.495 10.172 ( 3.316 -15.781 8.688) 18.317 10.503 ( 4.999 4.161 -3.034) 7.177 11.371 ( -5.654 0.800 -4.493) 7.266 11.834 ( 5.803 1.913 7.641) 9.784 12.264 ( 3.233 -4.916 3.501) 6.847 12.727 ( 8.198 -1.373 5.333) 9.876 14.261 ( -18.010 20.594 -23.368) 35.980======================= Grid point 198 (85/355) =======================q-point: (-0.08 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 18.253 5.518 9.083) 21.121 1.297 ( 20.633 12.641 8.988) 25.813 1.887 ( 9.660 -6.110 8.181) 14.056 2.407 ( 24.559 7.052 18.596) 31.602 2.543 ( 11.833 3.684 10.703) 16.375 2.738 ( 5.636 -0.298 -0.061) 5.644 3.014 ( -5.613 8.769 -5.711) 11.875 3.500 ( 0.954 -5.591 -10.489) 11.924 3.681 ( -0.015 -0.311 -7.009) 7.016 4.128 ( 1.470 -3.333 -3.899) 5.336 4.152 ( 17.047 -3.011 4.244) 17.824 4.491 ( 5.328 -2.779 -4.623) 7.581 4.627 ( 1.176 1.115 10.244) 10.371 5.114 ( 6.515 -1.415 0.851) 6.721 5.559 ( -4.316 -4.448 0.031) 6.198 5.657 ( -2.441 -1.023 6.826) 7.321 5.975 ( 1.599 -1.996 6.555) 7.036 6.117 ( -5.861 -0.387 -2.958) 6.577 6.374 ( -0.609 8.007 0.270) 8.035 6.540 ( -6.330 2.476 -8.252) 10.691 6.782 ( -0.394 -1.835 -0.981) 2.117 6.924 ( -3.422 -1.434 -0.341) 3.726 7.066 ( 1.551 -2.384 -3.316) 4.369 7.296 ( -1.690 1.271 -6.758) 7.081 7.395 ( 3.667 0.902 -4.541) 5.906 8.016 ( -0.612 4.129 3.636) 5.535 8.031 ( 5.692 -2.291 8.838) 10.759 8.230 ( -3.766 -1.461 0.814) 4.121 8.724 ( 3.024 -6.720 2.448) 7.765 8.788 ( 1.419 1.864 -1.525) 2.795 8.849 ( 0.580 -4.309 -1.745) 4.685 9.279 ( -4.889 -2.596 -5.270) 7.643 9.316 ( -0.598 -0.086 -0.030) 0.604 9.749 ( -3.645 3.327 -1.809) 5.256 10.061 ( -1.052 -2.217 6.511) 6.958 10.225 ( -3.386 -9.350 3.617) 10.582 10.531 ( -1.305 6.379 -0.231) 6.516 11.352 ( 2.156 -7.211 -1.612) 7.697 11.911 ( 0.836 -2.245 2.369) 3.369 12.276 ( -1.395 4.202 -0.221) 4.433 12.925 ( 8.008 -4.736 2.833) 9.725 13.824 ( -12.323 18.911 -10.239) 24.785======================= Grid point 203 (86/355) =======================q-point: (-0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -2.165 0.000 9.527) 9.770 1.956 ( -7.228 0.000 1.012) 7.298 2.401 ( 8.265 -0.000 -1.022) 8.328 2.480 ( -8.702 0.000 3.934) 9.550 2.928 ( -12.473 0.000 7.081) 14.343 3.043 ( 0.698 -0.000 4.529) 4.583 3.419 ( 2.280 -0.000 -4.799) 5.314 3.521 ( -13.613 0.000 -10.189) 17.004 3.880 ( -7.986 0.000 -16.546) 18.372 3.954 ( -7.707 0.000 8.414) 11.410 4.450 ( -5.067 0.000 5.849) 7.739 4.642 ( 7.086 -0.000 -0.393) 7.097 5.019 ( 6.753 -0.000 0.499) 6.772 5.044 ( -18.048 0.000 0.336) 18.051 5.262 ( -11.305 0.000 0.735) 11.329 5.551 ( -5.968 0.000 -10.197) 11.815 5.602 ( 1.972 -0.000 -3.515) 4.030 5.798 ( 5.525 -0.000 0.417) 5.541 6.372 ( 7.165 -0.000 -1.854) 7.401 6.592 ( 7.962 -0.000 2.526) 8.353 6.791 ( -2.876 0.000 8.691) 9.155 7.039 ( 1.314 -0.000 4.908) 5.081 7.263 ( 1.779 -0.000 9.664) 9.826 7.681 ( 5.476 -0.000 4.960) 7.388 7.795 ( 2.105 -0.000 20.504) 20.612 7.963 ( -6.041 0.000 -12.158) 13.576 8.150 ( -1.700 0.000 -2.174) 2.760 8.241 ( -0.931 0.000 -4.384) 4.481 8.445 ( -6.680 0.000 -4.374) 7.985 8.743 ( 6.631 -0.000 10.481) 12.403 8.917 ( 4.796 -0.000 0.043) 4.796 9.046 ( 3.267 -0.000 -0.746) 3.351 9.548 ( -4.874 0.000 2.494) 5.475 9.552 ( -7.415 0.000 -7.441) 10.505 9.935 ( -0.399 0.000 2.831) 2.859 9.992 ( -0.890 0.000 -2.242) 2.413 10.767 ( -7.831 0.000 -8.916) 11.867 10.845 ( 12.788 -0.000 1.463) 12.871 11.999 ( 2.673 -0.000 3.648) 4.522 12.183 ( 0.760 -0.000 -7.692) 7.730 13.042 ( -1.655 0.000 1.030) 1.950 13.700 ( 6.842 -0.000 -3.843) 7.847======================= Grid point 205 (87/355) =======================q-point: (-0.58 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( -5.244 11.222 9.102) 15.371 1.828 ( -9.171 -4.052 6.058) 11.714 2.284 ( -9.782 -2.376 8.332) 13.068 2.442 ( -6.413 1.417 -2.632) 7.076 2.699 ( -11.639 0.130 11.686) 16.494 2.927 ( -14.114 0.443 -10.440) 17.561 3.241 ( -11.187 1.739 -7.264) 13.451 3.466 ( 4.017 -2.376 -4.944) 6.799 3.849 ( -1.530 0.744 2.052) 2.666 3.863 ( 0.806 -1.566 -2.078) 2.724 4.369 ( -2.586 0.251 5.434) 6.023 4.624 ( -24.479 -0.053 -0.489) 24.484 4.720 ( 0.128 -0.875 3.970) 4.067 5.057 ( -9.629 -0.133 -1.184) 9.703 5.137 ( 5.627 -0.657 -4.901) 7.491 5.512 ( 3.084 1.380 -6.417) 7.252 5.574 ( -2.912 -2.429 -2.801) 4.715 5.991 ( 12.466 0.750 0.856) 12.518 6.545 ( 10.416 0.401 0.172) 10.425 6.712 ( 4.687 -1.390 4.846) 6.884 6.766 ( -1.428 -1.003 8.455) 8.633 7.044 ( -1.048 0.549 5.932) 6.048 7.280 ( -1.254 -0.237 7.126) 7.240 7.758 ( 0.168 0.882 8.677) 8.724 7.814 ( -1.211 -0.064 10.291) 10.363 7.847 ( -4.567 -0.029 -10.189) 11.165 8.066 ( -3.568 10.764 -4.072) 12.049 8.259 ( -5.031 -11.689 -7.112) 14.579 8.329 ( 0.699 -0.276 3.832) 3.905 8.871 ( 5.383 0.455 14.327) 15.312 8.994 ( 3.839 1.065 -2.063) 4.487 9.163 ( 8.469 -0.464 -2.560) 8.859 9.370 ( -8.997 2.900 -11.210) 14.663 9.466 ( -5.009 -4.193 1.149) 6.633 9.928 ( -0.698 0.062 2.987) 3.068 9.967 ( -1.680 0.004 -3.023) 3.458 10.646 ( -3.848 1.425 -6.126) 7.374 11.093 ( 12.494 -1.503 4.326) 13.306 12.031 ( 0.483 2.037 3.519) 4.095 12.169 ( -1.878 -1.161 -7.776) 8.084 12.980 ( -5.121 -0.180 0.737) 5.177 13.888 ( 14.119 1.544 -7.622) 16.119======================= Grid point 206 (88/355) =======================q-point: (-0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.522 ( -11.563 7.773 10.956) 17.725 1.605 ( -12.926 7.007 8.865) 17.169 2.130 ( -17.390 6.887 12.338) 22.407 2.176 ( -13.023 -8.228 1.128) 15.445 2.424 ( -15.231 8.436 0.831) 17.431 2.694 ( -5.727 -2.877 -8.324) 10.506 3.127 ( -1.624 -3.832 -1.760) 4.519 3.558 ( 4.363 0.916 -5.218) 6.863 3.786 ( -4.446 0.039 2.192) 4.957 3.881 ( -2.501 -3.191 -0.336) 4.068 4.153 ( -22.463 -0.970 1.015) 22.507 4.423 ( 7.349 0.798 1.838) 7.617 4.677 ( -5.076 0.301 7.394) 8.974 4.921 ( -4.449 -1.125 -4.014) 6.096 5.257 ( 7.474 -0.903 -4.154) 8.598 5.537 ( 0.186 -1.565 -1.937) 2.497 5.632 ( 7.990 0.382 -3.803) 8.857 6.209 ( 10.117 1.071 0.985) 10.221 6.687 ( 0.879 3.362 3.883) 5.210 6.777 ( 4.175 -4.298 2.807) 6.617 6.818 ( 5.102 -2.240 6.831) 8.815 7.016 ( -1.579 1.120 7.244) 7.498 7.224 ( -5.371 -0.232 4.032) 6.719 7.668 ( -15.838 -1.724 2.306) 16.097 7.707 ( -4.375 1.760 7.998) 9.285 7.765 ( -3.387 1.311 -6.024) 7.034 7.967 ( -1.337 6.751 -6.593) 9.530 8.212 ( -1.404 -8.044 -7.403) 11.021 8.447 ( 5.792 -4.512 7.924) 10.803 8.957 ( 1.956 4.433 9.651) 10.799 9.047 ( 1.898 -0.284 2.592) 3.225 9.191 ( -1.293 4.571 -13.294) 14.117 9.351 ( 4.120 -0.515 2.916) 5.074 9.428 ( 1.341 -9.013 -1.252) 9.198 9.906 ( -1.995 1.040 -0.195) 2.258 9.926 ( -1.674 -0.814 -2.681) 3.264 10.580 ( -2.402 0.625 -4.274) 4.943 11.344 ( 13.197 0.339 6.728) 14.817 11.972 ( -4.833 6.908 -0.228) 8.434 12.124 ( -4.196 -6.232 -1.998) 7.774 12.859 ( -7.317 -0.051 1.352) 7.441 14.190 ( 19.507 4.112 -13.261) 23.944======================= Grid point 207 (89/355) =======================q-point: (-0.42 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -19.921 -0.331 17.685) 26.641 1.334 ( -8.880 18.939 7.393) 22.186 1.693 ( -23.072 0.989 16.793) 28.553 1.969 ( -6.817 3.443 -1.972) 7.887 2.239 ( -0.814 10.514 3.342) 11.063 2.660 ( -0.198 0.040 -2.109) 2.119 3.182 ( 3.536 -7.841 3.603) 9.326 3.554 ( -6.195 0.528 -7.871) 10.031 3.664 ( -6.247 0.345 -3.410) 7.125 3.755 ( -9.124 -3.863 -4.614) 10.930 3.968 ( 0.437 -4.400 6.768) 8.084 4.566 ( -4.090 0.821 6.947) 8.103 4.589 ( 6.833 1.899 2.127) 7.405 4.887 ( -0.044 -1.467 -2.548) 2.941 5.397 ( 6.670 1.620 -1.477) 7.021 5.594 ( 5.306 -2.724 -2.839) 6.606 5.794 ( 9.477 2.799 -1.236) 9.959 6.327 ( 2.021 1.496 1.719) 3.046 6.630 ( -4.390 -1.374 6.511) 7.972 6.871 ( 2.914 -0.808 1.263) 3.277 6.941 ( 4.627 -3.507 2.295) 6.243 7.006 ( 0.139 1.381 5.124) 5.309 7.103 ( -7.129 -1.507 1.871) 7.523 7.334 ( -19.392 -5.348 1.085) 20.145 7.601 ( -6.563 1.734 4.281) 8.025 7.677 ( -3.776 3.279 -4.425) 6.677 7.922 ( 0.729 2.590 -3.944) 4.775 8.261 ( 2.924 -3.966 -7.303) 8.810 8.558 ( 1.995 -5.236 5.553) 7.888 8.870 ( -5.290 7.091 -5.302) 10.314 9.042 ( -2.353 1.309 1.406) 3.037 9.283 ( 5.434 -0.765 7.069) 8.949 9.364 ( 4.184 -3.933 -1.055) 5.838 9.596 ( 6.517 -4.750 2.984) 8.599 9.862 ( -0.340 1.315 -2.505) 2.850 9.917 ( -0.037 -2.368 -1.174) 2.643 10.533 ( -1.858 0.778 -3.859) 4.353 11.591 ( 12.139 1.633 6.310) 13.778 11.800 ( -8.066 8.318 -1.470) 11.679 12.064 ( -5.782 -7.999 4.425) 10.817 12.733 ( -5.238 0.970 2.486) 5.878 14.509 ( 16.505 5.082 -19.892) 26.343======================= Grid point 208 (90/355) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -9.451 6.894 22.778) 25.606 1.149 ( 1.149 22.300 7.766) 23.642 1.424 ( -6.037 -8.743 15.261) 18.596 1.954 ( 7.595 9.411 5.339) 13.220 2.230 ( 5.607 12.299 10.773) 17.284 2.661 ( 0.647 -0.092 -0.514) 0.831 3.277 ( -0.480 -0.594 1.119) 1.354 3.434 ( 0.668 -4.745 -3.389) 5.869 3.620 ( -4.778 0.627 -6.274) 7.911 3.638 ( -0.107 -5.633 -8.316) 10.045 4.045 ( 1.992 -7.468 4.174) 8.784 4.478 ( -4.102 -0.303 3.551) 5.434 4.688 ( 2.628 2.326 5.838) 6.812 4.913 ( 1.817 -1.626 -0.674) 2.530 5.475 ( 3.685 4.627 1.368) 6.071 5.743 ( 7.942 -2.716 -3.227) 8.992 5.893 ( 1.025 5.057 2.016) 5.540 6.306 ( -2.629 -1.516 -0.114) 3.037 6.533 ( -8.311 -2.942 7.909) 11.844 6.883 ( -5.112 1.871 -3.418) 6.428 6.934 ( -8.171 -0.116 -0.417) 8.183 6.972 ( -1.147 -1.160 -0.331) 1.664 7.021 ( 0.314 -4.665 -3.258) 5.699 7.182 ( 3.223 -0.083 7.960) 8.589 7.453 ( -7.544 1.078 -1.704) 7.809 7.653 ( 4.021 0.624 -0.820) 4.151 7.960 ( 3.879 1.455 1.060) 4.277 8.314 ( 1.189 -0.216 -6.399) 6.512 8.581 ( -2.615 -6.378 2.265) 7.256 8.755 ( -2.261 3.429 -6.517) 7.704 8.952 ( -5.477 2.999 -0.037) 6.244 9.303 ( -1.049 -4.642 2.228) 5.254 9.550 ( 2.542 1.662 -0.246) 3.046 9.670 ( 4.873 -5.040 7.843) 10.519 9.919 ( 4.673 -3.216 0.855) 5.736 9.953 ( 2.144 -2.949 2.397) 4.363 10.506 ( 0.793 2.265 -4.124) 4.771 11.581 ( -9.994 3.255 -5.084) 11.676 11.779 ( 6.884 5.960 8.287) 12.312 12.067 ( 3.346 -6.708 9.199) 11.866 12.674 ( -0.265 1.771 3.044) 3.532 14.646 ( 0.882 5.147 -24.957) 25.498======================= Grid point 209 (91/355) =======================q-point: (-0.25 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 11.441 12.115 9.700) 19.281 1.195 ( 13.860 18.931 11.921) 26.318 1.553 ( 9.303 -11.557 11.693) 18.890 2.136 ( 14.347 5.451 10.666) 18.690 2.365 ( 15.547 16.036 18.859) 29.232 2.687 ( 1.642 -1.006 -2.160) 2.894 3.212 ( -3.154 3.306 -4.190) 6.200 3.494 ( -5.173 0.805 -9.695) 11.019 3.574 ( 8.264 -2.593 -3.154) 9.217 3.776 ( 11.003 -6.307 -2.190) 12.870 4.089 ( -2.605 -9.445 0.839) 9.834 4.423 ( -1.180 -0.218 -1.064) 1.604 4.679 ( -2.634 1.648 9.258) 9.765 4.975 ( 4.357 -1.515 0.142) 4.615 5.511 ( 1.530 0.783 3.503) 3.902 5.798 ( -6.298 4.485 4.418) 8.905 5.872 ( 3.200 -3.446 3.290) 5.740 6.210 ( -6.388 -2.354 -4.406) 8.109 6.474 ( 1.550 4.673 3.168) 5.854 6.716 ( -8.112 1.715 -3.850) 9.142 6.837 ( -4.907 -1.203 0.058) 5.052 6.968 ( -2.412 0.287 -3.682) 4.411 7.013 ( -0.342 -1.963 -0.805) 2.149 7.308 ( 7.265 2.066 -1.350) 7.672 7.351 ( -2.144 -0.872 -5.369) 5.847 7.815 ( 9.976 -4.584 3.556) 11.540 8.032 ( 3.736 1.570 4.055) 5.733 8.279 ( -3.252 1.329 -5.469) 6.500 8.569 ( -1.598 -7.467 3.221) 8.287 8.750 ( 1.640 -2.913 -4.494) 5.601 8.849 ( -2.115 4.293 -1.674) 5.070 9.315 ( 0.057 -1.513 2.190) 2.663 9.424 ( -9.709 0.100 -3.942) 10.479 9.810 ( 2.156 -1.302 0.507) 2.569 9.999 ( 0.520 -6.174 9.037) 10.957 10.049 ( 4.507 -6.618 4.859) 9.366 10.545 ( 4.979 3.718 -2.181) 6.585 11.375 ( -9.295 0.003 -4.838) 10.479 11.866 ( 4.748 3.836 7.178) 9.422 12.221 ( 6.511 -3.599 5.552) 9.283 12.726 ( 6.523 0.692 3.660) 7.512 14.421 ( -16.381 11.065 -21.555) 29.247======================= Grid point 210 (92/355) =======================q-point: (-0.17 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( 16.483 8.515 3.948) 18.967 1.440 ( 18.664 14.677 10.542) 25.978 1.814 ( 11.489 -7.766 5.748) 15.012 2.410 ( 11.261 -6.539 7.504) 15.030 2.622 ( 8.273 10.628 14.106) 19.503 2.782 ( 18.395 9.231 8.208) 22.158 3.100 ( -5.158 7.601 -5.620) 10.769 3.450 ( 1.137 -3.691 -10.957) 11.618 3.682 ( 1.908 0.801 -5.832) 6.189 4.068 ( -1.796 -8.780 -1.333) 9.060 4.119 ( 20.201 -3.010 1.796) 20.503 4.463 ( 4.379 -2.729 -4.803) 7.049 4.634 ( -0.499 0.419 11.296) 11.314 5.095 ( 6.450 -2.216 0.689) 6.855 5.504 ( -5.024 -5.247 0.787) 7.307 5.667 ( -4.682 2.251 5.007) 7.215 5.942 ( 2.281 -3.916 9.246) 10.296 6.116 ( -5.552 -0.045 -4.823) 7.355 6.457 ( -1.243 7.605 0.864) 7.754 6.567 ( -5.091 2.490 -7.985) 9.792 6.766 ( -1.463 -1.094 -0.839) 2.011 6.905 ( -3.227 -2.201 1.601) 4.221 7.042 ( 0.986 -2.075 -3.769) 4.414 7.309 ( -1.431 1.137 -8.105) 8.308 7.410 ( 3.860 2.095 -4.720) 6.447 8.001 ( 6.411 -3.124 6.356) 9.553 8.065 ( 0.764 4.738 4.236) 6.402 8.215 ( -2.021 -1.072 -1.188) 2.578 8.639 ( 4.009 -8.634 4.516) 10.536 8.795 ( 0.145 -5.617 -0.245) 5.625 8.829 ( 1.249 4.946 -4.443) 6.765 9.250 ( -7.057 -2.928 -5.322) 9.311 9.318 ( -0.258 0.524 0.665) 0.885 9.779 ( -3.540 2.372 -2.734) 5.063 10.030 ( -0.832 -4.008 7.999) 8.986 10.135 ( -0.138 -7.438 4.307) 8.596 10.597 ( 1.210 6.278 0.456) 6.410 11.275 ( -1.752 -7.283 -2.497) 7.896 11.907 ( -0.100 0.950 1.492) 1.772 12.309 ( 2.149 2.328 2.691) 4.156 12.890 ( 8.364 -2.090 2.687) 9.030 13.998 ( -16.368 14.432 -12.198) 25.000======================= Grid point 211 (93/355) =======================q-point: (-0.08 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.397 ( 14.063 2.669 8.650) 16.724 1.716 ( 15.067 9.915 7.135) 19.397 2.101 ( 16.329 -3.273 -1.788) 16.749 2.507 ( -4.155 -0.745 -0.781) 4.293 2.672 ( 1.742 0.552 4.439) 4.800 2.944 ( -1.650 3.503 -3.443) 5.182 3.252 ( 24.500 8.814 18.108) 31.715 3.514 ( 4.228 -0.044 -5.868) 7.232 3.651 ( -1.204 1.889 -7.758) 8.075 4.090 ( 1.435 -5.445 -7.393) 9.293 4.478 ( 9.298 -4.604 8.880) 13.657 4.602 ( 9.542 -3.315 -3.073) 10.559 4.772 ( 16.333 -1.250 5.053) 17.142 5.147 ( -6.161 -0.330 -1.388) 6.324 5.429 ( -0.885 -7.875 -2.291) 8.250 5.641 ( 1.073 -0.283 6.277) 6.374 5.922 ( -10.517 0.559 2.619) 10.853 5.989 ( -5.310 0.067 2.937) 6.069 6.414 ( 2.785 1.270 -0.262) 3.072 6.506 ( 0.869 6.380 -9.542) 11.511 6.766 ( -4.540 -2.472 -2.906) 5.930 6.878 ( 2.100 -1.293 5.643) 6.158 7.062 ( 0.805 -2.603 -3.050) 4.090 7.252 ( -3.047 1.296 -6.714) 7.486 7.453 ( 2.232 -0.176 -4.595) 5.112 8.043 ( 0.199 6.308 3.497) 7.215 8.097 ( 2.374 -1.364 6.848) 7.375 8.249 ( 5.184 1.198 6.512) 8.409 8.705 ( -3.968 -3.538 -0.193) 5.320 8.766 ( -4.590 4.524 -4.361) 7.782 8.835 ( 1.731 -6.831 3.655) 7.938 9.244 ( 3.964 -7.736 -5.303) 10.182 9.315 ( 0.572 0.325 -1.605) 1.735 9.684 ( -4.217 2.407 -2.176) 5.321 10.029 ( -1.251 -1.766 4.509) 5.001 10.141 ( -2.183 -4.137 3.075) 5.598 10.506 ( -5.378 10.092 -0.237) 11.438 11.367 ( 4.700 -12.061 0.973) 12.981 11.852 ( -5.171 -0.177 -4.714) 6.999 12.295 ( -0.865 6.887 2.506) 7.379 13.018 ( 3.411 -1.702 1.240) 4.009 13.705 ( -6.931 8.869 -5.451) 12.507======================= Grid point 217 (94/355) =======================q-point: (-0.58 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( -16.535 0.000 12.508) 20.732 1.662 ( -8.005 0.000 7.385) 10.891 2.111 ( -10.665 0.000 5.049) 11.800 2.175 ( -22.729 0.000 15.136) 27.307 2.484 ( -9.054 0.000 -6.385) 11.079 2.673 ( -6.651 0.000 -9.665) 11.732 3.102 ( -3.364 0.000 -1.803) 3.817 3.565 ( 5.063 -0.000 -5.378) 7.386 3.784 ( -3.528 0.000 4.190) 5.477 3.865 ( -4.370 0.000 -0.534) 4.402 4.148 ( -22.422 0.000 1.122) 22.450 4.427 ( 7.649 -0.000 1.571) 7.809 4.679 ( -4.840 0.000 7.720) 9.111 4.914 ( -4.581 0.000 -3.813) 5.960 5.252 ( 7.798 -0.000 -3.876) 8.708 5.528 ( -0.181 0.000 -1.788) 1.797 5.634 ( 8.656 -0.000 -3.884) 9.488 6.214 ( 10.072 -0.000 0.983) 10.120 6.717 ( -4.184 0.000 6.013) 7.326 6.742 ( 9.379 -0.000 0.212) 9.381 6.806 ( 5.046 -0.000 7.091) 8.703 7.022 ( -1.515 0.000 7.130) 7.289 7.223 ( -5.403 0.000 4.065) 6.762 7.659 ( -16.671 0.000 1.476) 16.737 7.716 ( -4.670 0.000 8.744) 9.913 7.772 ( -2.937 0.000 -6.829) 7.434 8.017 ( -4.900 0.000 -4.592) 6.716 8.154 ( 2.011 -0.000 -9.993) 10.194 8.423 ( 5.813 -0.000 8.053) 9.932 8.980 ( 3.337 -0.000 14.453) 14.834 9.046 ( 1.732 -0.000 -0.722) 1.876 9.223 ( -2.322 0.000 -17.790) 17.941 9.352 ( -5.497 0.000 2.448) 6.018 9.368 ( 10.760 -0.000 3.119) 11.203 9.913 ( -1.150 0.000 0.883) 1.450 9.921 ( -2.621 0.000 -3.786) 4.605 10.584 ( -2.558 0.000 -4.608) 5.270 11.346 ( 13.604 -0.000 7.296) 15.437 12.027 ( -2.531 0.000 4.864) 5.483 12.074 ( -6.740 0.000 -7.045) 9.750 12.859 ( -7.116 0.000 1.260) 7.227 14.211 ( 19.521 -0.000 -13.280) 23.610======================= Grid point 219 (95/355) =======================q-point: (-0.50 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -19.779 -0.560 16.860) 25.996 1.497 ( -7.598 10.396 8.359) 15.351 1.705 ( -24.656 1.216 20.852) 32.314 1.910 ( -9.159 -7.573 -3.246) 12.320 2.377 ( 1.458 9.041 -9.412) 13.132 2.690 ( 5.408 4.395 2.242) 7.320 3.082 ( -0.565 -8.489 5.533) 10.149 3.564 ( -7.224 0.816 -8.095) 10.880 3.671 ( -9.108 0.842 -4.033) 9.997 3.722 ( -5.162 -2.189 -2.369) 6.087 3.936 ( -0.754 -1.618 8.147) 8.340 4.572 ( -5.967 0.363 6.554) 8.871 4.602 ( 8.546 0.627 2.432) 8.908 4.876 ( -0.015 -0.643 -2.455) 2.538 5.410 ( 8.167 0.720 -1.205) 8.286 5.574 ( 5.187 -1.079 -2.656) 5.927 5.814 ( 10.306 1.027 -1.547) 10.472 6.339 ( 1.908 0.655 1.865) 2.747 6.619 ( -6.374 -0.563 6.201) 8.910 6.870 ( 4.017 0.560 0.253) 4.063 6.906 ( 3.974 -2.409 3.967) 6.110 7.025 ( 1.327 1.451 5.003) 5.375 7.091 ( -8.209 -0.815 1.378) 8.364 7.297 ( -18.492 -1.870 -0.592) 18.596 7.613 ( -6.884 0.604 4.620) 8.312 7.700 ( -3.811 1.079 -4.522) 6.011 7.946 ( -0.460 1.476 -4.073) 4.356 8.229 ( 4.769 -1.867 -8.240) 9.701 8.518 ( 2.175 -2.072 5.705) 6.447 8.930 ( -6.143 3.540 -4.519) 8.408 9.051 ( -1.678 0.342 0.707) 1.852 9.268 ( -2.288 -1.413 2.772) 3.862 9.334 ( 10.735 -1.506 3.783) 11.481 9.566 ( 7.991 -1.323 3.265) 8.733 9.877 ( -0.771 1.577 -2.303) 2.896 9.895 ( -0.678 -1.959 -1.784) 2.735 10.539 ( -1.594 0.325 -4.113) 4.423 11.600 ( 11.507 0.345 5.846) 12.912 11.887 ( -7.441 7.893 -0.718) 10.871 11.983 ( -5.567 -7.476 4.622) 10.404 12.741 ( -4.882 0.380 2.193) 5.365 14.542 ( 15.512 1.503 -18.890) 24.489======================= Grid point 220 (96/355) =======================q-point: (-0.42 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -4.694 4.006 20.671) 21.572 1.321 ( -4.500 2.005 12.605) 13.533 1.401 ( -4.163 12.702 12.006) 17.968 1.896 ( 1.546 -12.784 0.541) 12.889 2.424 ( 10.451 15.516 -1.750) 18.789 2.722 ( 2.689 13.624 8.617) 16.343 3.197 ( 3.017 -15.025 7.681) 17.142 3.395 ( -3.612 -2.074 -6.989) 8.136 3.600 ( 0.531 -1.302 -7.243) 7.378 3.628 ( -5.247 0.180 -7.453) 9.116 3.984 ( 1.099 -4.010 7.509) 8.583 4.475 ( -4.400 -0.252 2.993) 5.328 4.708 ( 2.349 1.417 5.607) 6.242 4.898 ( 1.849 -1.130 -0.544) 2.234 5.515 ( 3.585 2.887 1.257) 4.772 5.717 ( 8.119 -2.011 -2.731) 8.799 5.942 ( 1.630 3.890 1.051) 4.347 6.284 ( -6.175 -2.383 0.815) 6.669 6.515 ( -4.452 -0.848 6.064) 7.571 6.902 ( -5.304 1.848 -3.229) 6.478 6.934 ( -8.386 -0.033 -0.790) 8.423 6.962 ( -0.835 -0.743 -0.952) 1.468 6.978 ( 2.056 -3.366 -2.024) 4.433 7.184 ( 4.846 0.298 8.446) 9.743 7.462 ( -8.218 0.627 -1.839) 8.445 7.659 ( 1.792 0.486 -3.388) 3.863 7.975 ( 3.782 1.286 0.286) 4.005 8.312 ( 3.254 -0.154 -6.010) 6.836 8.524 ( -3.074 -4.127 2.077) 5.549 8.789 ( -5.325 2.761 -6.434) 8.797 8.976 ( -5.042 1.488 -1.229) 5.399 9.263 ( 0.691 -2.740 2.333) 3.665 9.556 ( 5.117 -0.437 3.312) 6.110 9.630 ( 1.312 -2.185 6.583) 7.059 9.895 ( 2.803 -1.411 -0.601) 3.195 9.930 ( 3.227 -1.540 1.859) 4.030 10.525 ( 1.426 1.307 -3.912) 4.364 11.601 ( -10.492 0.976 -5.774) 12.015 11.848 ( 5.027 6.994 8.955) 12.425 11.999 ( 5.402 -6.354 9.016) 12.282 12.689 ( -0.237 1.027 2.543) 2.753 14.682 ( 0.848 2.015 -22.036) 22.144======================= Grid point 221 (97/355) =======================q-point: (-0.33 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 11.784 11.159 10.029) 19.078 1.395 ( 11.845 18.745 9.474) 24.113 1.438 ( 9.931 -9.906 10.419) 17.473 2.062 ( 7.662 -13.609 4.166) 16.164 2.606 ( 18.401 20.234 9.157) 28.842 2.715 ( 2.773 10.194 9.662) 14.317 3.226 ( -1.916 -0.858 -1.437) 2.544 3.494 ( -2.040 -2.693 -8.866) 9.488 3.539 ( 6.000 -4.285 -4.089) 8.431 3.715 ( 11.049 -4.182 -3.886) 12.436 4.000 ( -2.628 -6.882 4.641) 8.707 4.417 ( -1.817 -0.814 -1.679) 2.604 4.695 ( -3.044 1.322 8.861) 9.463 4.958 ( 4.046 -1.556 0.232) 4.341 5.522 ( -1.465 1.235 2.936) 3.506 5.838 ( 0.652 -1.903 6.708) 7.003 5.845 ( -5.212 3.136 1.771) 6.336 6.183 ( -4.356 -2.714 -5.636) 7.622 6.516 ( 3.126 3.300 2.496) 5.186 6.728 ( -8.550 0.726 -3.910) 9.430 6.830 ( -3.963 -0.300 1.355) 4.199 6.967 ( -4.792 -0.670 -2.923) 5.653 6.998 ( 1.713 -0.700 -2.288) 2.942 7.326 ( 7.255 0.839 2.613) 7.756 7.348 ( -1.078 0.778 -7.794) 7.906 7.773 ( 8.854 -3.437 -0.272) 9.502 8.049 ( 4.117 1.682 3.336) 5.559 8.301 ( -3.296 2.319 -4.295) 5.889 8.499 ( -1.417 -5.681 2.700) 6.448 8.718 ( -1.574 -2.964 -3.690) 4.988 8.890 ( -1.213 3.507 -3.621) 5.185 9.304 ( 1.732 -0.559 2.607) 3.179 9.423 ( -11.047 -0.321 -4.039) 11.767 9.782 ( 4.824 -3.770 4.853) 7.813 9.940 ( 0.102 -3.792 6.293) 7.348 10.013 ( 3.723 -1.850 3.562) 5.474 10.578 ( 5.164 2.521 -1.549) 5.952 11.373 ( -11.468 -0.290 -5.069) 12.542 11.906 ( 3.406 3.684 6.224) 7.994 12.189 ( 8.709 -2.597 7.122) 11.547 12.736 ( 5.642 0.902 2.774) 6.352 14.503 ( -14.657 5.337 -19.633) 25.075======================= Grid point 222 (98/355) =======================q-point: (-0.25 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 13.926 9.328 1.502) 16.828 1.597 ( 16.494 15.422 11.372) 25.283 1.731 ( 14.107 -7.874 2.720) 16.383 2.307 ( 9.661 -12.382 6.151) 16.866 2.715 ( -0.020 6.702 7.189) 9.828 2.921 ( 21.590 15.610 14.148) 30.166 3.173 ( -1.120 7.406 -3.245) 8.163 3.425 ( 0.135 -1.278 -11.604) 11.675 3.698 ( 4.603 1.922 -4.495) 6.715 3.948 ( 0.767 -13.862 2.264) 14.067 4.091 ( 17.620 -2.399 -0.432) 17.788 4.435 ( 3.243 -2.746 -5.254) 6.757 4.638 ( -1.569 0.348 11.503) 11.615 5.070 ( 6.262 -2.377 0.525) 6.718 5.459 ( -6.578 -3.440 0.754) 7.461 5.694 ( -5.725 2.745 4.109) 7.563 5.901 ( 2.485 -3.717 11.139) 12.003 6.114 ( -5.069 -0.262 -6.098) 7.934 6.524 ( -3.241 4.925 -1.337) 6.046 6.590 ( -2.334 2.062 -4.835) 5.751 6.763 ( -2.400 0.824 -0.424) 2.572 6.879 ( -3.245 -2.813 2.565) 5.002 7.025 ( 0.526 -1.336 -4.400) 4.628 7.317 ( -1.034 0.423 -8.730) 8.801 7.439 ( 4.036 3.473 -4.464) 6.948 7.963 ( 7.257 -4.326 1.503) 8.581 8.108 ( 2.810 3.400 5.017) 6.680 8.218 ( -2.075 1.673 -0.978) 2.839 8.556 ( 3.783 -7.059 4.983) 9.433 8.732 ( -0.082 -6.252 -0.353) 6.262 8.885 ( 1.888 5.583 -4.664) 7.516 9.219 ( -9.068 -2.971 -5.467) 10.998 9.326 ( 0.216 0.978 1.346) 1.677 9.797 ( -3.033 1.074 -3.490) 4.747 9.978 ( 0.177 -5.632 10.326) 11.764 10.079 ( 1.281 -3.402 3.704) 5.190 10.658 ( 3.790 5.363 1.334) 6.701 11.206 ( -5.987 -5.795 -3.446) 9.017 11.923 ( -0.803 1.898 0.669) 2.167 12.326 ( 4.537 1.085 4.808) 6.699 12.877 ( 7.955 -0.613 2.277) 8.297 14.120 ( -17.788 9.097 -12.793) 23.724======================= Grid point 223 (99/355) =======================q-point: (-0.17 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 10.811 2.994 3.595) 11.780 1.824 ( 12.880 10.431 10.142) 19.431 2.072 ( 19.471 -1.835 -3.381) 19.848 2.487 ( 0.831 -3.543 1.792) 4.057 2.673 ( -0.602 0.076 6.771) 6.798 2.982 ( -5.181 3.538 -5.778) 8.529 3.352 ( 16.717 10.229 12.779) 23.397 3.507 ( 8.643 -0.956 -5.632) 10.360 3.692 ( 0.886 5.632 -4.427) 7.219 4.023 ( 2.426 -7.392 -6.743) 10.296 4.428 ( 8.548 -4.884 9.088) 13.398 4.561 ( 9.532 -4.429 -2.928) 10.910 4.760 ( 15.758 -0.993 5.489) 16.716 5.140 ( -5.546 -0.994 -1.363) 5.797 5.351 ( -1.620 -6.875 -1.848) 7.301 5.651 ( 1.691 1.839 5.500) 6.041 5.920 ( -8.627 -0.790 4.305) 9.674 5.985 ( -4.648 -0.523 2.301) 5.213 6.420 ( -1.131 -0.223 -4.116) 4.274 6.574 ( 1.332 6.491 -5.567) 8.654 6.745 ( -3.122 -1.257 -1.653) 3.749 6.863 ( 1.191 -1.722 6.211) 6.554 7.036 ( 0.807 -2.415 -2.833) 3.809 7.265 ( -3.142 1.178 -7.415) 8.139 7.460 ( 1.004 1.613 -5.264) 5.596 8.069 ( 2.138 -2.085 1.859) 3.518 8.121 ( 2.505 6.371 3.551) 7.712 8.260 ( 5.628 1.144 6.910) 8.985 8.659 ( -0.489 -5.213 1.842) 5.550 8.761 ( 0.673 -6.624 1.614) 6.850 8.824 ( -4.647 5.821 -3.935) 8.424 9.162 ( 0.261 -7.811 -4.393) 8.966 9.328 ( 1.714 1.846 -1.096) 2.748 9.705 ( -4.653 1.588 -2.894) 5.705 10.006 ( -0.233 -2.742 5.444) 6.100 10.104 ( -0.628 -3.047 3.065) 4.367 10.614 ( -3.917 10.747 0.183) 11.440 11.235 ( 3.239 -13.013 0.434) 13.417 11.861 ( -4.399 1.578 -4.323) 6.366 12.354 ( -0.295 4.520 3.374) 5.648 13.004 ( 4.163 -1.036 1.242) 4.467 13.792 ( -10.358 7.456 -6.465) 14.306======================= Grid point 224 (100/355) =======================q-point: (-0.08 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 8.605 -2.294 3.863) 9.708 1.991 ( 8.916 8.963 9.489) 15.807 2.374 ( -1.116 2.208 -0.163) 2.479 2.467 ( 10.588 0.232 -6.733) 12.549 2.639 ( -3.253 1.452 -3.452) 4.960 2.945 ( 2.579 -2.906 3.540) 5.256 3.414 ( -2.945 2.622 2.778) 4.824 3.661 ( 5.770 -1.767 -9.856) 11.557 3.871 ( 18.552 8.448 10.897) 23.115 4.121 ( 5.464 -6.032 -7.712) 11.212 4.550 ( 3.082 -4.267 2.024) 5.640 4.735 ( 4.869 -3.367 6.369) 8.695 4.905 ( -14.112 -0.596 -4.989) 14.980 5.149 ( 19.403 -2.087 1.558) 19.577 5.452 ( 4.520 -6.674 1.419) 8.184 5.670 ( -11.675 2.872 0.172) 12.025 5.718 ( 1.579 1.664 2.427) 3.339 5.895 ( -3.412 0.688 1.628) 3.842 6.492 ( 0.842 -2.127 0.948) 2.476 6.518 ( -2.751 1.499 -10.544) 10.999 6.642 ( -2.105 3.630 -2.267) 4.769 6.937 ( 2.316 -2.111 6.648) 7.350 7.106 ( 5.328 -2.890 3.439) 6.969 7.201 ( -1.408 0.863 -1.112) 1.991 7.474 ( 1.265 -1.075 -3.750) 4.101 8.078 ( -0.198 4.373 1.952) 4.792 8.175 ( 4.211 2.985 5.336) 7.424 8.360 ( 4.133 0.873 4.301) 6.028 8.589 ( -5.073 -0.329 -1.034) 5.188 8.691 ( -5.313 4.771 -2.224) 7.479 8.816 ( -0.749 -6.755 2.461) 7.228 9.228 ( 0.144 -13.064 -0.442) 13.072 9.377 ( 3.456 3.397 -5.678) 7.465 9.649 ( 1.397 0.466 -0.671) 1.619 10.015 ( 0.196 -0.882 1.717) 1.940 10.100 ( -1.147 -1.501 2.524) 3.153 10.437 ( -7.701 11.578 -1.196) 13.957 11.408 ( 6.568 -13.358 2.731) 15.133 11.738 ( -6.703 3.256 -7.987) 10.924 12.294 ( -2.987 5.167 2.106) 6.329 13.046 ( 0.234 -0.182 1.103) 1.142 13.641 ( -2.975 3.237 -3.028) 5.338======================= Grid point 231 (101/355) =======================q-point: ( 0.50 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -2.219 0.000 19.783) 19.907 1.310 ( -10.159 -0.000 15.593) 18.610 1.515 ( -0.388 0.000 12.664) 12.670 1.799 ( 0.545 -0.000 -3.292) 3.337 2.495 ( 9.061 0.000 -7.600) 11.826 2.872 ( 8.315 0.000 9.033) 12.277 3.049 ( 0.835 -0.000 12.805) 12.832 3.386 ( -5.092 0.000 -7.363) 8.952 3.596 ( 0.425 0.000 -6.780) 6.794 3.628 ( -4.933 0.000 -7.667) 9.117 3.963 ( 0.930 0.000 8.419) 8.470 4.474 ( -4.562 -0.000 2.625) 5.264 4.716 ( 2.291 0.000 5.545) 5.999 4.892 ( 1.855 0.000 -0.492) 1.919 5.531 ( 3.512 -0.000 1.121) 3.687 5.706 ( 8.174 0.000 -2.478) 8.541 5.964 ( 2.256 0.000 0.614) 2.338 6.269 ( -7.968 0.000 1.416) 8.093 6.511 ( -2.944 0.000 5.243) 6.013 6.916 ( -7.619 -0.000 -4.272) 8.734 6.931 ( -6.936 0.000 -0.064) 6.937 6.958 ( 1.906 -0.000 0.608) 2.001 6.959 ( 0.561 0.000 -3.083) 3.134 7.186 ( 5.452 0.000 8.619) 10.199 7.465 ( -8.422 -0.000 -1.870) 8.627 7.662 ( 1.029 0.000 -4.248) 4.371 7.983 ( 3.721 0.000 0.095) 3.722 8.311 ( 4.158 -0.000 -5.956) 7.264 8.502 ( -3.290 -0.000 2.033) 3.867 8.804 ( -6.760 0.000 -6.316) 9.251 8.983 ( -4.803 -0.000 -1.863) 5.152 9.249 ( 1.568 0.000 2.428) 2.891 9.551 ( 6.816 0.000 6.034) 9.103 9.621 ( -0.843 0.000 4.620) 4.696 9.888 ( 2.228 0.000 -1.059) 2.467 9.922 ( 3.684 0.000 1.756) 4.081 10.532 ( 1.612 0.000 -3.815) 4.142 11.605 ( -10.441 0.000 -5.836) 11.961 11.905 ( -0.407 0.000 8.495) 8.505 11.947 ( 10.683 -0.000 9.480) 14.283 12.694 ( -0.224 0.000 2.390) 2.401 14.692 ( 0.836 0.000 -21.133) 21.149======================= Grid point 233 (102/355) =======================q-point: (-0.42 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 12.757 6.594 11.681) 18.511 1.343 ( 9.903 -6.369 7.648) 14.040 1.579 ( 9.894 13.376 10.274) 19.554 1.915 ( 7.480 -11.897 1.925) 14.184 2.679 ( 9.746 1.447 -1.449) 9.959 2.937 ( 7.984 22.146 15.715) 28.305 3.179 ( 4.059 -9.005 9.877) 13.968 3.417 ( 7.316 -7.246 -7.994) 13.036 3.520 ( -4.872 -0.350 -11.465) 12.462 3.697 ( 10.438 -0.194 -4.216) 11.258 3.954 ( -2.494 -2.095 6.433) 7.211 4.409 ( -2.180 -0.438 -2.283) 3.187 4.705 ( -3.331 0.538 8.442) 9.091 4.946 ( 3.890 -0.656 0.305) 3.956 5.532 ( -3.069 0.566 2.467) 3.978 5.817 ( 2.440 -1.110 6.067) 6.633 5.876 ( -8.279 1.799 3.220) 9.064 6.160 ( -2.510 -1.332 -6.552) 7.141 6.540 ( 3.833 1.211 2.136) 4.552 6.732 ( -8.894 0.152 -3.743) 9.650 6.828 ( -3.362 -0.038 2.167) 4.000 6.959 ( -4.923 -0.558 -2.906) 5.744 6.996 ( 1.910 0.064 -2.753) 3.352 7.327 ( 2.690 -0.113 0.356) 2.716 7.361 ( 4.132 0.901 -4.409) 6.109 7.747 ( 7.634 -1.377 -2.919) 8.289 8.064 ( 4.377 0.908 3.130) 5.457 8.318 ( -3.429 0.821 -3.176) 4.746 8.458 ( -0.563 -1.948 1.953) 2.815 8.694 ( -3.956 -1.340 -3.363) 5.362 8.916 ( -0.507 1.350 -4.732) 4.947 9.302 ( 2.753 -0.023 2.823) 3.943 9.419 ( -11.925 -0.258 -4.095) 12.611 9.749 ( 5.893 -1.961 8.059) 10.174 9.919 ( -0.203 -0.806 3.293) 3.396 10.001 ( 3.613 -0.577 3.596) 5.131 10.596 ( 5.328 0.890 -1.216) 5.537 11.371 ( -12.469 -0.150 -5.184) 13.505 11.935 ( 2.181 1.570 5.340) 5.978 12.169 ( 10.191 -1.058 8.239) 13.148 12.743 ( 5.268 0.371 2.391) 5.798 14.538 ( -13.724 1.585 -18.588) 23.160======================= Grid point 234 (103/355) =======================q-point: (-0.33 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 10.908 7.498 1.574) 13.330 1.645 ( 15.260 -6.372 2.742) 16.763 1.765 ( 16.266 14.474 8.083) 23.225 2.169 ( 10.985 -13.482 7.017) 18.753 2.766 ( -0.283 3.277 5.557) 6.457 3.049 ( 7.144 7.369 5.117) 11.468 3.282 ( 11.036 13.986 7.542) 19.347 3.421 ( -0.974 0.627 -12.842) 12.894 3.693 ( 11.917 -6.616 -1.843) 13.754 3.812 ( -3.008 -8.542 3.255) 9.623 4.071 ( 16.644 -1.357 -1.428) 16.760 4.409 ( 2.305 -2.011 -5.874) 6.623 4.642 ( -2.186 0.301 11.235) 11.449 5.049 ( 6.098 -1.561 0.438) 6.310 5.433 ( -7.858 -1.578 0.426) 8.026 5.719 ( -6.242 1.840 4.061) 7.671 5.870 ( 2.500 -2.225 12.128) 12.582 6.111 ( -4.543 -0.278 -7.061) 8.401 6.557 ( -7.213 1.688 -6.577) 9.907 6.609 ( 2.102 1.440 1.282) 2.852 6.782 ( -2.733 2.611 0.677) 3.840 6.848 ( -3.519 -3.104 1.937) 5.076 7.014 ( 0.099 -0.663 -4.690) 4.738 7.320 ( -0.507 0.075 -8.915) 8.929 7.475 ( 4.069 3.008 -3.769) 6.310 7.918 ( 7.723 -3.737 -3.070) 9.112 8.138 ( 4.199 2.349 6.324) 7.947 8.239 ( -2.271 1.659 -0.658) 2.888 8.501 ( 3.463 -3.362 4.772) 6.787 8.673 ( -0.418 -4.826 0.089) 4.844 8.937 ( 3.109 4.047 -5.127) 7.233 9.191 ( -11.002 -2.292 -5.691) 12.597 9.336 ( 0.689 0.847 1.800) 2.105 9.802 ( -2.000 -0.054 -3.611) 4.128 9.928 ( 0.741 -3.417 11.346) 11.872 10.057 ( 1.393 -1.290 3.475) 3.960 10.703 ( 6.233 3.265 2.196) 7.371 11.158 ( -9.569 -3.353 -4.318) 11.020 11.941 ( -1.325 1.315 0.041) 1.867 12.334 ( 5.937 0.389 6.133) 8.545 12.874 ( 7.542 -0.069 1.967) 7.795 14.188 ( -18.074 4.306 -12.832) 22.580======================= Grid point 235 (104/355) =======================q-point: (-0.25 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( 7.414 2.372 0.642) 7.811 1.913 ( 11.994 5.526 9.672) 16.369 2.079 ( 21.317 4.165 -3.176) 21.951 2.430 ( 7.852 -7.259 5.741) 12.137 2.679 ( -5.993 0.919 6.255) 8.711 3.012 ( -6.224 2.080 -6.554) 9.275 3.447 ( 6.442 5.741 -3.368) 9.263 3.514 ( 10.969 4.821 4.753) 12.890 3.750 ( 3.972 4.204 -0.055) 5.784 3.943 ( 6.047 -7.384 -5.885) 11.213 4.383 ( 9.422 -3.702 9.675) 14.003 4.515 ( 8.329 -4.264 -3.801) 10.100 4.752 ( 15.148 -0.589 5.743) 16.211 5.128 ( -4.876 -1.081 -1.297) 5.160 5.291 ( -2.145 -4.462 -1.987) 5.335 5.673 ( 2.101 2.224 5.666) 6.439 5.907 ( -5.876 -1.448 6.738) 9.057 5.981 ( -5.412 -0.251 0.791) 5.475 6.412 ( -3.872 -1.004 -6.982) 8.047 6.633 ( 0.413 4.437 -1.734) 4.782 6.742 ( -1.676 0.777 -2.095) 2.793 6.842 ( 0.912 -2.273 6.077) 6.552 7.014 ( 0.571 -1.653 -2.537) 3.081 7.275 ( -3.020 0.811 -7.300) 7.941 7.483 ( -0.038 2.498 -5.409) 5.958 8.039 ( 3.803 -3.227 -2.819) 5.729 8.187 ( 2.872 5.952 3.276) 7.376 8.274 ( 5.669 1.279 7.302) 9.332 8.605 ( 2.627 -4.555 3.533) 6.335 8.696 ( -0.217 -5.754 1.712) 6.007 8.888 ( -5.094 6.315 -4.809) 9.432 9.085 ( -2.624 -6.904 -4.325) 8.559 9.350 ( 2.849 2.181 -0.230) 3.596 9.717 ( -5.012 0.727 -3.777) 6.318 9.975 ( 0.946 -2.850 6.712) 7.353 10.079 ( 0.089 -1.660 2.950) 3.386 10.727 ( -1.765 11.074 0.752) 11.239 11.102 ( 0.872 -12.592 -0.182) 12.624 11.878 ( -4.012 1.537 -4.260) 6.050 12.390 ( 0.296 2.493 4.103) 4.810 12.996 ( 4.447 -0.477 1.177) 4.625 13.856 ( -12.442 4.791 -7.046) 15.079======================= Grid point 236 (105/355) =======================q-point: (-0.17 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( 7.319 -1.649 1.097) 7.582 2.082 ( 8.522 8.170 10.358) 15.705 2.406 ( -3.885 3.775 2.461) 5.949 2.468 ( 14.779 0.305 -7.036) 16.371 2.643 ( -3.088 -1.016 -1.333) 3.514 2.913 ( 0.656 -3.023 2.077) 3.726 3.446 ( -3.660 3.346 1.848) 5.292 3.641 ( 6.639 -2.137 -10.244) 12.393 3.949 ( 14.848 6.112 7.396) 17.678 4.064 ( 5.618 -4.443 -8.670) 11.246 4.521 ( 5.013 -1.198 4.994) 7.177 4.691 ( 4.859 -4.994 7.309) 10.098 4.897 ( -13.295 -0.860 -4.234) 13.980 5.127 ( 19.033 -1.997 1.678) 19.211 5.393 ( 5.466 -4.634 0.947) 7.229 5.692 ( -12.920 1.302 0.455) 12.994 5.748 ( 4.465 4.055 2.243) 6.435 5.894 ( -3.554 -0.791 0.912) 3.753 6.460 ( 5.028 -3.655 2.513) 6.705 6.523 ( -9.832 0.044 -8.097) 12.737 6.695 ( 0.222 5.807 -4.518) 7.361 6.910 ( 2.398 -3.005 6.458) 7.516 7.079 ( 5.268 -2.107 4.701) 7.369 7.211 ( -1.762 1.008 -1.180) 2.348 7.472 ( 0.696 0.657 -4.177) 4.286 8.098 ( 0.804 -0.189 -0.943) 1.254 8.224 ( 3.994 6.075 3.660) 8.140 8.368 ( 3.674 0.606 4.272) 5.667 8.587 ( -3.609 0.095 0.813) 3.701 8.735 ( -3.609 -1.195 -0.940) 3.916 8.755 ( -2.381 -0.109 -0.134) 2.387 9.093 ( -1.214 -12.527 -1.491) 12.673 9.423 ( 4.757 5.016 -2.817) 7.466 9.647 ( -0.063 -0.758 -1.509) 1.690 10.002 ( 0.435 -1.497 2.294) 2.774 10.085 ( -0.480 -1.191 2.349) 2.677 10.561 ( -7.893 12.040 -1.891) 14.520 11.266 ( 7.329 -13.592 3.396) 15.811 11.771 ( -5.490 2.994 -7.364) 9.660 12.339 ( -3.739 3.497 2.215) 5.578 13.044 ( 0.609 -0.102 0.982) 1.160 13.672 ( -4.755 2.695 -3.341) 6.406======================= Grid point 237 (106/355) =======================q-point: (-0.08 0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 9.209 -2.552 -0.276) 9.560 2.122 ( -2.261 6.050 5.273) 8.338 2.335 ( 1.429 1.311 4.233) 4.656 2.371 ( -13.890 1.388 -4.193) 14.575 2.838 ( 14.459 0.174 -6.379) 15.804 3.036 ( 7.219 -2.345 6.450) 9.960 3.358 ( -3.720 0.975 3.280) 5.055 3.759 ( 5.176 -1.131 -12.742) 13.799 4.170 ( 9.163 1.289 5.142) 10.586 4.198 ( 6.150 -4.995 -7.967) 11.235 4.516 ( -9.229 -0.845 5.209) 10.631 4.674 ( -0.395 0.374 -0.730) 0.910 4.834 ( 1.394 -0.449 1.722) 2.260 5.324 ( -4.472 -0.374 4.608) 6.432 5.493 ( 1.211 -3.222 -0.444) 3.471 5.549 ( 5.139 0.234 -4.658) 6.940 5.709 ( -3.179 0.435 0.665) 3.276 5.985 ( 9.112 3.082 3.927) 10.390 6.269 ( -12.849 -1.175 -9.183) 15.837 6.575 ( 2.044 2.122 -6.922) 7.523 6.695 ( 3.447 1.494 4.805) 6.099 6.953 ( 0.192 -2.493 5.648) 6.177 7.166 ( 1.858 0.849 3.933) 4.432 7.269 ( 7.315 -2.451 10.948) 13.393 7.504 ( 2.984 -0.568 -0.825) 3.147 8.049 ( -4.580 0.621 -1.735) 4.937 8.256 ( 0.381 5.581 4.330) 7.073 8.431 ( 3.548 0.363 -1.167) 3.753 8.528 ( -1.262 0.605 -2.028) 2.464 8.627 ( -3.701 2.300 0.944) 4.458 8.741 ( -3.638 -5.094 1.148) 6.364 9.164 ( 1.172 -12.311 0.406) 12.373 9.417 ( -0.487 5.994 -3.533) 6.975 9.752 ( 8.249 -1.763 -0.369) 8.444 10.021 ( 0.620 -2.264 0.680) 2.443 10.076 ( -1.191 -0.390 1.544) 1.988 10.334 ( -8.845 10.496 -2.256) 13.910 11.490 ( 8.695 -11.077 3.594) 14.533 11.625 ( -6.890 5.740 -9.035) 12.730 12.244 ( -4.195 2.373 0.254) 4.827 13.039 ( -0.761 0.106 1.406) 1.602 13.614 ( -0.973 0.916 -1.879) 2.306======================= Grid point 245 (107/355) =======================q-point: ( 0.58 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( 8.670 -0.000 2.528) 9.031 1.605 ( 17.731 -0.000 0.199) 17.732 1.868 ( 14.749 -0.000 8.094) 16.824 2.073 ( 12.129 -0.000 7.936) 14.494 2.783 ( 0.005 -0.000 5.454) 5.454 3.082 ( 0.796 -0.000 -0.191) 0.818 3.379 ( 10.577 -0.000 7.880) 13.190 3.453 ( 4.241 -0.000 -6.383) 7.663 3.592 ( 13.125 -0.000 0.297) 13.128 3.787 ( -3.137 0.000 0.639) 3.202 4.064 ( 16.430 -0.000 -1.765) 16.524 4.398 ( 1.923 -0.000 -6.195) 6.486 4.643 ( -2.397 0.000 11.077) 11.334 5.040 ( 6.039 -0.000 0.419) 6.053 5.425 ( -8.343 0.000 0.265) 8.347 5.729 ( -6.391 0.000 4.210) 7.653 5.858 ( 2.468 -0.000 12.376) 12.619 6.110 ( -4.306 0.000 -7.450) 8.605 6.565 ( -8.711 0.000 -8.613) 12.250 6.617 ( 3.653 -0.000 3.590) 5.122 6.808 ( -0.042 0.000 5.350) 5.350 6.820 ( -6.317 0.000 -2.574) 6.822 7.011 ( -0.079 0.000 -4.758) 4.758 7.320 ( -0.285 0.000 -8.948) 8.953 7.492 ( 4.082 -0.000 -3.286) 5.241 7.897 ( 7.839 -0.000 -4.846) 9.216 8.152 ( 4.745 -0.000 7.112) 8.550 8.246 ( -2.295 0.000 -0.800) 2.430 8.485 ( 3.299 -0.000 4.486) 5.568 8.645 ( -0.635 0.000 0.314) 0.708 8.960 ( 3.998 -0.000 -5.283) 6.625 9.177 ( -12.116 0.000 -5.815) 13.439 9.341 ( 0.898 -0.000 1.941) 2.139 9.800 ( -1.268 0.000 -3.218) 3.459 9.911 ( 0.537 -0.000 11.263) 11.276 10.050 ( 1.399 -0.000 3.429) 3.703 10.721 ( 7.380 -0.000 2.599) 7.824 11.140 ( -11.106 0.000 -4.718) 12.067 11.948 ( -1.524 0.000 -0.197) 1.537 12.335 ( 6.403 -0.000 6.590) 9.189 12.874 ( 7.386 -0.000 1.859) 7.616 14.211 ( -18.084 0.000 -12.797) 22.154======================= Grid point 247 (108/355) =======================q-point: (-0.33 0.58 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.473 ( 5.121 0.917 -0.539) 5.230 1.938 ( 15.319 0.511 5.047) 16.137 2.147 ( 17.694 6.402 -0.699) 18.830 2.352 ( 12.797 -6.288 9.725) 17.259 2.687 ( -9.099 0.535 5.546) 10.669 3.025 ( -6.160 0.614 -6.680) 9.108 3.464 ( 6.092 0.032 -11.367) 12.896 3.606 ( 0.011 9.157 5.638) 10.754 3.746 ( 9.321 -4.816 8.371) 13.422 3.896 ( 10.856 -1.186 -7.252) 13.109 4.356 ( 10.940 -1.281 10.486) 15.208 4.481 ( 6.818 -1.948 -5.125) 8.749 4.748 ( 14.727 -0.191 5.859) 15.851 5.120 ( -4.398 -0.459 -1.223) 4.588 5.260 ( -2.528 -1.544 -2.202) 3.691 5.691 ( 2.376 1.017 6.140) 6.662 5.895 ( -4.270 -0.728 8.070) 9.159 5.979 ( -5.967 -0.058 -0.197) 5.971 6.404 ( -5.323 -0.515 -8.382) 9.943 6.662 ( -0.975 1.236 1.553) 2.211 6.759 ( -0.060 1.894 -5.038) 5.383 6.818 ( 0.627 -2.020 6.692) 7.018 7.003 ( 0.444 -0.566 -2.001) 2.126 7.281 ( -2.896 0.290 -7.058) 7.635 7.504 ( -0.745 1.267 -5.160) 5.365 8.011 ( 4.703 -1.601 -5.685) 7.550 8.241 ( 3.437 4.139 2.702) 6.020 8.277 ( 5.520 -1.077 7.627) 9.477 8.575 ( 4.263 -1.236 4.062) 6.017 8.648 ( -0.658 -2.928 2.292) 3.776 8.952 ( -5.686 6.037 -5.175) 9.775 9.018 ( -3.930 -6.113 -4.273) 8.430 9.368 ( 3.639 1.022 0.230) 3.787 9.721 ( -5.251 0.146 -4.497) 6.915 9.953 ( 1.691 -1.225 7.693) 7.971 10.068 ( 0.333 -0.511 2.875) 2.939 10.841 ( 2.713 10.443 2.429) 11.059 10.977 ( -3.810 -10.960 -1.876) 11.754 11.890 ( -3.856 0.603 -4.284) 5.795 12.407 ( 0.642 0.789 4.500) 4.614 12.993 ( 4.517 -0.127 1.125) 4.657 13.889 ( -13.381 1.636 -7.290) 15.326======================= Grid point 248 (109/355) =======================q-point: (-0.25 0.58 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 6.492 -0.879 -0.502) 6.571 2.152 ( 8.469 4.871 10.420) 14.284 2.441 ( -7.171 1.900 0.352) 7.427 2.486 ( 16.956 4.254 -2.982) 17.734 2.613 ( 1.293 -4.745 1.904) 5.274 2.888 ( -3.134 -1.615 -0.793) 3.614 3.480 ( -5.506 3.080 0.438) 6.324 3.617 ( 7.467 -2.309 -10.636) 13.199 3.984 ( 11.508 0.499 7.531) 13.762 4.040 ( 6.650 -0.013 -12.023) 13.740 4.528 ( 7.225 2.527 9.324) 12.063 4.636 ( 5.082 -5.387 6.526) 9.871 4.889 ( -12.794 -0.708 -3.733) 13.347 5.110 ( 18.765 -1.185 1.886) 18.897 5.356 ( 6.061 -2.428 0.402) 6.542 5.700 ( -12.194 0.448 0.524) 12.213 5.792 ( 6.220 3.889 3.362) 8.069 5.881 ( -4.985 -1.542 -0.093) 5.219 6.425 ( 5.635 -2.761 1.932) 6.566 6.524 ( -11.698 0.118 -5.590) 12.966 6.751 ( 1.204 4.768 -6.389) 8.062 6.876 ( 1.985 -3.365 5.824) 7.013 7.064 ( 5.492 -0.924 6.648) 8.673 7.220 ( -1.990 0.636 -0.974) 2.305 7.483 ( 0.153 1.068 -4.161) 4.299 8.087 ( 2.012 -1.375 -4.069) 4.743 8.289 ( 3.330 5.998 3.055) 7.509 8.368 ( 3.339 -0.926 3.460) 4.897 8.595 ( -1.784 1.566 2.953) 3.788 8.679 ( 0.501 -5.539 2.160) 5.966 8.804 ( -7.191 5.588 -3.142) 9.634 8.976 ( -2.270 -9.918 -2.652) 10.515 9.474 ( 6.983 4.398 -0.711) 8.284 9.634 ( -2.285 -1.683 -2.931) 4.080 9.987 ( 0.683 -1.211 2.971) 3.280 10.076 ( -0.069 -0.561 2.341) 2.408 10.678 ( -9.006 9.897 -3.525) 13.838 11.136 ( 8.903 -10.784 5.058) 14.870 11.796 ( -4.806 1.714 -7.134) 8.771 12.366 ( -4.110 1.733 2.341) 5.037 13.044 ( 0.830 -0.037 0.900) 1.225 13.695 ( -5.934 1.513 -3.540) 7.074======================= Grid point 249 (110/355) =======================q-point: (-0.17 0.58 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 9.703 -1.636 -1.349) 9.933 2.179 ( -5.508 4.763 5.398) 9.064 2.349 ( 2.548 1.350 5.947) 6.609 2.384 ( -15.626 1.028 -4.635) 16.331 2.844 ( 15.292 0.995 -6.231) 16.543 3.004 ( 8.093 -3.501 7.334) 11.470 3.366 ( -5.060 0.479 1.896) 5.425 3.745 ( 4.623 -1.574 -13.353) 14.218 4.157 ( 6.442 -1.711 -2.835) 7.243 4.181 ( 8.767 -0.320 -4.652) 9.930 4.506 ( -10.600 -0.938 6.226) 12.329 4.687 ( 3.125 2.044 3.607) 5.191 4.823 ( 1.958 -1.446 2.032) 3.171 5.320 ( -2.122 -0.233 4.751) 5.208 5.464 ( 2.604 -2.431 -0.754) 3.641 5.554 ( 2.752 0.552 -5.438) 6.119 5.715 ( -4.973 0.603 -0.355) 5.022 6.013 ( 10.711 2.231 4.329) 11.766 6.260 ( -13.557 -0.541 -8.116) 15.810 6.567 ( 5.643 -2.277 0.603) 6.115 6.737 ( 0.877 5.288 -2.739) 6.019 6.918 ( 0.059 -3.890 4.324) 5.817 7.181 ( 3.551 1.766 7.419) 8.413 7.245 ( 5.878 -2.132 10.730) 12.419 7.504 ( 2.884 0.429 -1.351) 3.214 8.048 ( -5.789 -0.676 -4.058) 7.102 8.317 ( 1.868 5.319 2.913) 6.346 8.437 ( 2.359 1.422 0.231) 2.764 8.537 ( -1.891 1.289 -0.854) 2.443 8.640 ( -6.063 0.004 -0.632) 6.096 8.691 ( -2.512 -4.501 1.646) 5.411 9.046 ( 3.577 -9.467 -1.624) 10.250 9.487 ( -0.357 7.019 -2.191) 7.362 9.724 ( 7.946 -3.565 0.441) 8.720 9.998 ( -0.500 -1.939 0.606) 2.092 10.074 ( -0.613 -0.141 1.621) 1.738 10.439 ( -10.269 9.075 -3.550) 14.156 11.382 ( 10.653 -9.265 5.362) 15.103 11.676 ( -5.755 3.939 -9.171) 11.522 12.264 ( -5.281 1.433 0.232) 5.477 13.040 ( -0.826 0.086 1.239) 1.492 13.622 ( -1.543 0.679 -1.879) 2.524======================= Grid point 250 (111/355) =======================q-point: (-0.08 -0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -4.971 -0.394 -3.415) 6.044 2.024 ( -0.718 1.194 -1.308) 1.911 2.163 ( -4.113 -3.431 -0.377) 5.369 2.434 ( 5.494 2.802 7.711) 9.874 3.026 ( 4.584 2.218 -3.072) 5.947 3.143 ( 2.789 -1.918 7.398) 8.135 3.306 ( -1.339 -1.785 3.468) 4.123 3.730 ( -6.525 -4.041 -16.132) 17.865 4.274 ( 3.821 1.568 -3.984) 5.738 4.298 ( 1.455 0.072 4.406) 4.641 4.382 ( 0.778 -3.417 3.864) 5.216 4.680 ( -3.505 5.577 -6.125) 8.995 4.853 ( 1.626 0.285 1.644) 2.330 5.215 ( -3.138 0.550 1.593) 3.562 5.484 ( -1.197 -1.218 -2.383) 2.932 5.630 ( 1.068 -0.635 -3.855) 4.050 5.672 ( -0.522 -1.912 3.715) 4.211 5.944 ( -13.207 -0.087 -6.819) 14.864 6.280 ( 12.554 2.772 1.678) 12.966 6.593 ( -1.125 5.975 -10.944) 12.520 6.774 ( 3.791 -0.490 9.684) 10.411 6.929 ( -1.159 -3.615 4.902) 6.200 7.236 ( 3.529 3.117 10.161) 11.199 7.407 ( 7.150 -2.614 12.788) 14.882 7.583 ( 5.168 -0.052 4.948) 7.155 7.931 ( -5.961 -3.474 -5.706) 8.953 8.219 ( -7.657 5.546 0.780) 9.486 8.478 ( 3.041 -3.549 -2.533) 5.316 8.536 ( -6.030 -1.697 1.466) 6.433 8.573 ( 3.337 0.830 -1.326) 3.685 8.676 ( 0.178 -0.636 0.886) 1.105 9.178 ( 5.546 -6.105 -0.604) 8.271 9.442 ( -0.198 6.952 -1.638) 7.145 9.879 ( 5.307 -2.910 -0.879) 6.116 9.973 ( -5.194 -2.711 0.383) 5.871 10.062 ( -0.639 0.499 0.907) 1.217 10.236 ( -4.090 4.827 -2.001) 6.636 11.520 ( -6.682 7.063 -10.255) 14.132 11.630 ( 10.313 -6.748 4.750) 13.208 12.168 ( -4.164 -0.249 -2.129) 4.683 13.029 ( -0.208 -0.211 1.695) 1.721 13.605 ( -0.191 0.185 -1.515) 1.539======================= Grid point 259 (112/355) =======================q-point: ( 0.67 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( 6.205 -0.000 -1.016) 6.287 2.177 ( 8.599 -0.000 10.250) 13.380 2.448 ( -2.664 0.000 -3.009) 4.019 2.542 ( 10.425 -0.000 -1.415) 10.521 2.558 ( 4.950 -0.000 6.107) 7.862 2.880 ( -5.094 0.000 -2.232) 5.561 3.499 ( -7.334 0.000 -0.038) 7.334 3.602 ( 8.589 -0.000 -11.043) 13.990 3.982 ( 10.737 -0.000 6.946) 12.787 4.044 ( 6.722 -0.000 -12.547) 14.234 4.556 ( 9.525 -0.000 16.440) 19.000 4.594 ( 3.939 -0.000 0.856) 4.031 4.885 ( -12.677 0.000 -3.588) 13.175 5.104 ( 18.698 -0.000 1.987) 18.803 5.344 ( 6.224 -0.000 0.177) 6.226 5.703 ( -11.940 0.000 0.552) 11.953 5.816 ( 9.394 -0.000 5.104) 10.691 5.869 ( -8.035 0.000 -1.677) 8.208 6.410 ( 5.648 -0.000 1.627) 5.877 6.524 ( -12.053 0.000 -4.689) 12.933 6.782 ( 1.551 -0.000 -9.361) 9.488 6.853 ( 1.689 -0.000 7.717) 7.900 7.059 ( 5.592 -0.000 7.491) 9.348 7.224 ( -2.061 0.000 -0.862) 2.234 7.489 ( -0.085 0.000 -4.050) 4.051 8.078 ( 2.446 -0.000 -5.296) 5.834 8.338 ( 0.118 -0.000 4.583) 4.585 8.347 ( 6.200 -0.000 1.132) 6.302 8.616 ( -1.674 0.000 4.608) 4.903 8.636 ( 1.692 -0.000 1.894) 2.540 8.851 ( -11.319 0.000 -2.265) 11.543 8.906 ( 0.606 -0.000 -4.166) 4.210 9.500 ( 8.988 -0.000 0.571) 9.006 9.622 ( -4.311 0.000 -4.114) 5.960 9.980 ( 0.810 -0.000 3.291) 3.390 10.074 ( 0.070 -0.000 2.346) 2.347 10.738 ( -10.825 0.000 -5.261) 12.036 11.071 ( 10.886 -0.000 6.808) 12.839 11.805 ( -4.584 0.000 -7.076) 8.431 12.375 ( -4.219 0.000 2.392) 4.850 13.043 ( 0.900 -0.000 0.871) 1.253 13.703 ( -6.341 0.000 -3.607) 7.295======================= Grid point 261 (113/355) =======================q-point: (-0.25 0.67 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 9.965 -0.568 -1.936) 10.167 2.214 ( -7.588 1.832 5.576) 9.593 2.360 ( 3.578 0.652 7.231) 8.094 2.391 ( -16.943 0.351 -5.225) 17.734 2.855 ( 15.794 0.773 -6.594) 17.133 2.973 ( 8.847 -1.905 8.148) 12.177 3.369 ( -6.101 0.128 0.727) 6.145 3.731 ( 4.349 -0.842 -13.315) 14.032 4.153 ( 7.600 0.519 -1.561) 7.776 4.172 ( 8.033 -1.069 -8.251) 11.565 4.498 ( -11.484 -0.480 6.497) 13.203 4.709 ( 4.895 1.598 7.204) 8.855 4.808 ( 2.209 -1.124 0.994) 2.670 5.320 ( -0.944 0.114 4.790) 4.884 5.444 ( 3.631 -1.125 -1.093) 3.955 5.558 ( 1.484 0.261 -5.584) 5.783 5.719 ( -6.109 0.242 -0.968) 6.190 6.030 ( 11.579 0.882 4.643) 12.506 6.257 ( -13.961 -0.113 -7.469) 15.834 6.546 ( 6.764 -1.175 3.095) 7.531 6.786 ( 0.704 3.412 -7.492) 8.262 6.880 ( -0.209 -2.898 5.616) 6.323 7.199 ( 6.220 1.571 11.515) 13.182 7.225 ( 3.281 -1.579 8.597) 9.337 7.509 ( 2.698 0.354 -1.381) 3.052 8.041 ( -6.070 -0.483 -5.776) 8.392 8.352 ( 2.842 1.455 0.602) 3.249 8.461 ( 4.058 2.246 1.136) 4.775 8.560 ( -4.336 3.252 2.427) 5.938 8.620 ( -10.103 -4.108 -0.046) 10.907 8.654 ( -0.737 -1.680 0.165) 1.841 8.980 ( 5.660 -3.224 -3.324) 7.313 9.550 ( -1.063 4.365 -2.275) 5.036 9.685 ( 8.372 -3.137 1.455) 9.058 9.984 ( -0.858 -0.686 0.633) 1.268 10.073 ( -0.363 -0.031 1.709) 1.747 10.509 ( -11.478 3.789 -4.830) 13.017 11.311 ( 12.239 -3.850 6.752) 14.498 11.704 ( -5.115 1.391 -9.172) 10.593 12.274 ( -5.861 0.474 0.228) 5.885 13.041 ( -0.864 0.033 1.146) 1.436 13.627 ( -1.870 0.250 -1.878) 2.662======================= Grid point 262 (114/355) =======================q-point: (-0.17 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( -3.468 0.109 -4.024) 5.313 2.043 ( -3.877 2.590 -0.519) 4.691 2.124 ( -5.209 -4.006 -1.534) 6.748 2.457 ( 5.529 1.668 8.204) 10.033 3.052 ( 5.181 2.616 -2.766) 6.429 3.122 ( 3.846 -1.938 7.572) 8.711 3.285 ( -2.785 -1.931 2.339) 4.117 3.696 ( -7.250 -2.426 -15.782) 17.536 4.292 ( 5.773 1.656 -4.949) 7.782 4.295 ( -1.485 -0.586 7.040) 7.219 4.355 ( 3.084 -1.756 0.783) 3.635 4.729 ( -2.032 3.583 -4.767) 6.300 4.853 ( 2.159 -0.123 1.773) 2.796 5.219 ( -3.695 0.271 1.602) 4.036 5.477 ( -0.428 -0.339 -3.396) 3.440 5.624 ( 1.254 -0.429 -3.803) 4.028 5.655 ( -1.508 -1.241 3.198) 3.747 5.942 ( -14.059 -0.099 -6.126) 15.336 6.305 ( 13.428 1.830 2.412) 13.765 6.634 ( 1.620 1.994 -8.481) 8.862 6.787 ( 2.313 2.832 6.351) 7.328 6.887 ( -1.224 -4.328 4.733) 6.529 7.268 ( 3.917 2.715 11.743) 12.674 7.381 ( 7.372 -2.155 15.548) 17.342 7.585 ( 5.214 0.229 3.078) 6.059 7.901 ( -7.410 -2.153 -7.142) 10.514 8.281 ( -10.599 6.069 -0.318) 12.218 8.446 ( 2.692 -2.520 -2.205) 4.297 8.506 ( -6.001 -3.866 2.953) 7.725 8.570 ( 1.489 -0.674 -1.295) 2.085 8.679 ( 3.577 0.687 1.508) 3.942 9.127 ( 8.098 -3.350 -3.966) 9.619 9.514 ( -0.281 6.125 -0.959) 6.206 9.836 ( 4.342 -4.605 0.722) 6.371 9.953 ( -3.346 -1.124 0.041) 3.530 10.066 ( -0.450 0.268 1.139) 1.254 10.287 ( -7.774 4.033 -3.200) 9.324 11.554 ( 3.364 -2.170 2.489) 4.713 11.594 ( 2.850 1.817 -7.131) 7.891 12.165 ( -5.209 -0.283 -2.011) 5.591 13.028 ( -0.364 -0.118 1.615) 1.659 13.607 ( -0.393 0.112 -1.454) 1.510======================= Grid point 263 (115/355) =======================q-point: (-0.08 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( -18.013 -2.531 -5.554) 19.019 1.989 ( -5.321 -4.535 2.235) 7.340 2.282 ( 12.846 0.155 -3.766) 13.388 2.565 ( 6.194 2.052 7.263) 9.763 2.991 ( -10.286 1.445 -3.166) 10.859 3.137 ( -2.163 0.482 9.292) 9.552 3.290 ( 0.870 -3.852 3.255) 5.117 3.542 ( -7.943 -3.073 -10.062) 13.182 4.132 ( -11.876 -1.183 9.398) 15.191 4.350 ( -2.195 -1.553 -1.596) 3.127 4.514 ( 7.865 4.876 -7.551) 11.944 4.598 ( -4.581 4.933 -6.332) 9.242 4.924 ( 5.694 0.578 0.053) 5.724 5.250 ( 4.504 0.124 0.427) 4.525 5.421 ( -5.065 0.779 -4.675) 6.937 5.553 ( -6.017 -0.543 -3.094) 6.788 5.660 ( -4.672 -0.759 -0.798) 4.800 5.713 ( -5.455 -3.401 -3.976) 7.558 6.535 ( 9.609 4.867 0.796) 10.801 6.600 ( 1.585 5.609 -8.020) 9.915 6.821 ( -0.367 -1.037 10.118) 10.177 6.917 ( 2.189 -2.970 7.405) 8.274 7.334 ( 3.247 4.279 11.974) 13.123 7.529 ( 5.257 -2.485 14.077) 15.231 7.689 ( 4.606 0.751 9.449) 10.539 7.813 ( -2.113 -5.185 -7.385) 9.268 8.052 ( -10.929 0.965 -2.391) 11.229 8.370 ( -7.870 -3.816 1.196) 8.828 8.563 ( 5.792 -1.655 -1.399) 6.184 8.606 ( 2.674 -2.669 0.576) 3.822 8.756 ( 4.904 4.378 0.905) 6.636 9.296 ( 8.048 0.010 -2.213) 8.346 9.461 ( -1.481 5.246 -3.267) 6.355 9.798 ( -10.860 -0.729 -1.924) 11.053 9.916 ( 0.289 -2.685 -0.784) 2.812 10.035 ( -2.549 0.456 0.635) 2.666 10.257 ( 4.717 -1.909 0.607) 5.124 11.428 ( -5.642 6.317 -10.603) 13.571 11.806 ( 9.865 -1.960 4.673) 11.090 12.085 ( -3.388 -2.609 -4.393) 6.131 13.035 ( 0.785 -0.297 1.810) 1.995 13.601 ( -0.155 -0.415 -1.690) 1.747======================= Grid point 273 (116/355) =======================q-point: (-0.25 -0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( -2.539 0.000 -4.250) 4.951 2.069 ( -7.192 0.000 3.764) 8.118 2.090 ( -3.852 0.000 -5.939) 7.079 2.466 ( 5.500 -0.000 8.366) 10.012 3.070 ( 5.764 -0.000 -3.635) 6.814 3.109 ( 4.229 -0.000 8.776) 9.742 3.273 ( -3.588 0.000 1.660) 3.953 3.683 ( -7.397 0.000 -15.564) 17.233 4.291 ( -2.850 0.000 8.407) 8.877 4.302 ( 5.874 -0.000 -5.353) 7.947 4.345 ( 4.737 -0.000 -0.612) 4.777 4.749 ( -1.657 0.000 -4.289) 4.598 4.852 ( 2.565 -0.000 1.846) 3.160 5.221 ( -4.002 0.000 1.506) 4.276 5.475 ( -0.036 0.000 -3.774) 3.774 5.622 ( 1.288 -0.000 -3.828) 4.039 5.649 ( -1.941 0.000 3.075) 3.637 5.942 ( -14.310 0.000 -5.822) 15.449 6.315 ( 13.667 -0.000 2.679) 13.927 6.642 ( 3.029 -0.000 -6.220) 6.918 6.814 ( 2.450 -0.000 0.345) 2.474 6.853 ( -2.261 0.000 8.085) 8.396 7.284 ( 3.991 -0.000 12.008) 12.654 7.368 ( 7.524 -0.000 16.879) 18.480 7.586 ( 5.172 -0.000 2.543) 5.763 7.889 ( -7.889 0.000 -7.842) 11.124 8.321 ( -13.511 0.000 -2.010) 13.660 8.430 ( 3.992 -0.000 -1.574) 4.291 8.478 ( -5.656 0.000 4.402) 7.167 8.566 ( 0.963 -0.000 -1.391) 1.692 8.683 ( 4.789 -0.000 1.944) 5.169 9.110 ( 8.860 -0.000 -5.294) 10.322 9.550 ( -0.216 0.000 -1.121) 1.142 9.807 ( 3.709 -0.000 1.635) 4.053 9.947 ( -2.675 0.000 -0.118) 2.677 10.067 ( -0.379 0.000 1.217) 1.275 10.309 ( -8.890 0.000 -3.698) 9.628 11.536 ( 8.690 -0.000 6.125) 10.632 11.610 ( -1.457 0.000 -10.405) 10.507 12.163 ( -5.610 0.000 -1.956) 5.941 13.027 ( -0.422 0.000 1.586) 1.641 13.607 ( -0.467 0.000 -1.432) 1.506======================= Grid point 274 (117/355) =======================q-point: (-0.17 -0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( -19.877 -0.608 -6.502) 20.922 1.954 ( -6.349 -1.921 2.045) 6.942 2.283 ( 13.928 0.011 -4.509) 14.640 2.579 ( 5.956 0.696 7.672) 9.738 3.007 ( -11.857 1.161 -2.643) 12.203 3.140 ( -1.178 0.097 9.385) 9.460 3.258 ( 1.157 -1.943 1.820) 2.903 3.520 ( -7.559 -1.023 -8.884) 11.709 4.121 ( -12.101 -0.662 11.303) 16.572 4.341 ( -1.869 -0.364 -3.354) 3.857 4.544 ( 10.886 1.216 -4.689) 11.915 4.641 ( -7.152 2.547 -9.374) 12.063 4.928 ( 5.835 0.196 -0.431) 5.854 5.248 ( 4.646 -0.259 0.893) 4.738 5.433 ( -3.697 0.921 -6.482) 7.519 5.548 ( -6.302 -0.394 -2.740) 6.883 5.652 ( -0.306 -0.651 2.728) 2.821 5.688 ( -10.865 -1.133 -6.593) 12.759 6.567 ( 12.249 1.533 3.331) 12.786 6.648 ( 0.352 2.924 -12.730) 13.066 6.811 ( -2.245 -0.660 10.814) 11.064 6.892 ( 3.601 -1.494 8.846) 9.667 7.372 ( 4.115 2.490 13.147) 13.999 7.504 ( 3.921 -1.819 16.002) 16.576 7.697 ( 5.765 0.601 7.191) 9.236 7.773 ( -2.591 -2.120 -6.872) 7.644 8.064 ( -12.804 0.871 -3.173) 13.220 8.337 ( -7.951 -1.925 1.113) 8.256 8.545 ( 5.978 -1.164 -0.224) 6.094 8.591 ( 2.746 -0.562 0.107) 2.805 8.788 ( 5.574 1.610 2.044) 6.151 9.291 ( 10.361 -0.390 -5.623) 11.795 9.511 ( -3.398 3.289 -2.736) 5.463 9.781 ( -7.544 -1.690 -1.842) 7.947 9.898 ( -1.707 -0.714 0.255) 1.867 10.038 ( -2.866 0.159 0.760) 2.969 10.248 ( 2.987 -0.293 0.218) 3.009 11.470 ( -5.284 1.991 -10.220) 11.677 11.795 ( 11.400 -0.385 4.173) 12.146 12.064 ( -4.725 -1.155 -4.006) 6.301 13.033 ( 0.834 -0.109 1.841) 2.024 13.598 ( -0.530 -0.150 -1.613) 1.705======================= Grid point 275 (118/355) =======================q-point: (-0.08 -0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -18.320 -5.889 -4.997) 19.881 1.820 ( -10.561 -4.640 -0.697) 11.556 2.492 ( 7.368 1.775 -2.439) 7.961 2.673 ( -9.962 2.516 3.645) 10.902 2.712 ( -2.540 -2.069 0.104) 3.278 3.104 ( -3.035 0.927 7.706) 8.334 3.291 ( -13.559 0.308 5.197) 14.524 3.365 ( 2.716 -4.789 -0.756) 5.557 3.924 ( -8.260 -0.298 6.816) 10.713 4.227 ( -8.638 1.013 -10.105) 13.332 4.488 ( -5.114 4.237 -1.424) 6.792 4.695 ( 4.831 0.610 -2.064) 5.288 5.053 ( 5.664 0.388 -3.185) 6.510 5.134 ( -16.930 -0.240 0.186) 16.932 5.331 ( -3.927 4.369 -9.213) 10.927 5.493 ( -7.102 0.097 -7.857) 10.591 5.600 ( 9.609 -1.117 -1.216) 9.750 5.690 ( 2.759 -4.428 -0.844) 5.285 6.619 ( 1.898 7.544 -6.721) 10.280 6.763 ( 7.836 1.764 2.954) 8.558 6.811 ( 0.602 -2.157 12.612) 12.809 6.957 ( 1.149 -1.361 10.401) 10.552 7.405 ( 0.408 5.334 8.333) 9.903 7.557 ( -0.505 -6.269 5.696) 8.486 7.791 ( 5.355 2.076 4.592) 7.353 7.812 ( -4.781 -1.628 4.181) 6.557 7.859 ( -0.978 -0.985 1.838) 2.303 8.216 ( -5.509 -4.294 2.893) 7.560 8.666 ( 5.017 -2.687 -0.935) 5.767 8.676 ( 5.241 0.358 -1.605) 5.493 8.880 ( 6.260 4.047 4.978) 8.963 9.363 ( -6.913 4.117 -4.047) 9.007 9.499 ( 8.468 -0.295 -7.045) 11.020 9.586 ( -10.105 1.753 -2.233) 10.497 9.899 ( 0.122 -3.082 -0.696) 3.162 9.986 ( -2.513 0.036 -0.087) 2.515 10.353 ( 5.870 -2.602 1.995) 6.724 11.355 ( -3.869 4.260 -10.975) 12.392 11.943 ( 0.096 2.311 -0.549) 2.378 12.043 ( 5.386 -5.073 -1.024) 7.469 13.054 ( 0.766 0.242 1.632) 1.819 13.589 ( -0.465 -1.671 -2.207) 2.808======================= Grid point 286 (119/355) =======================q-point: (-0.17 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -19.867 0.000 -5.823) 20.703 1.796 ( -10.774 0.000 -1.136) 10.834 2.501 ( 8.256 -0.000 -3.237) 8.868 2.683 ( -18.609 0.000 -0.144) 18.610 2.704 ( 5.305 -0.000 4.698) 7.087 3.108 ( -3.157 0.000 8.070) 8.665 3.297 ( -18.602 0.000 4.172) 19.064 3.334 ( 7.705 -0.000 0.515) 7.722 3.922 ( -7.696 0.000 7.552) 10.783 4.232 ( -8.128 0.000 -10.062) 12.934 4.511 ( -5.877 0.000 -2.160) 6.261 4.698 ( 4.480 -0.000 -2.128) 4.960 5.056 ( 6.369 -0.000 -3.746) 7.389 5.132 ( -17.669 0.000 0.287) 17.671 5.357 ( -3.124 0.000 -10.290) 10.754 5.495 ( -7.170 0.000 -7.950) 10.705 5.594 ( 8.890 -0.000 -1.052) 8.952 5.663 ( 3.470 -0.000 -0.130) 3.472 6.666 ( 2.035 -0.000 -10.930) 11.118 6.771 ( 7.831 -0.000 3.899) 8.747 6.795 ( 0.684 -0.000 15.107) 15.123 6.950 ( 1.205 -0.000 11.264) 11.328 7.447 ( 1.017 -0.000 10.708) 10.756 7.510 ( -1.503 0.000 2.386) 2.820 7.803 ( 4.528 -0.000 5.946) 7.474 7.803 ( -5.366 0.000 5.602) 7.757 7.856 ( 1.299 -0.000 0.959) 1.615 8.191 ( -6.279 0.000 2.508) 6.762 8.652 ( 5.249 -0.000 -1.001) 5.343 8.678 ( 5.460 -0.000 -1.512) 5.666 8.901 ( 6.338 -0.000 5.705) 8.527 9.384 ( -8.907 0.000 -5.134) 10.280 9.500 ( 10.885 -0.000 -6.868) 12.871 9.596 ( -10.462 0.000 -3.163) 10.930 9.881 ( 0.224 -0.000 -0.032) 0.227 9.986 ( -2.500 0.000 -0.040) 2.500 10.339 ( 5.615 -0.000 2.150) 6.013 11.378 ( -3.969 0.000 -11.249) 11.929 11.967 ( -4.672 0.000 -5.433) 7.166 12.005 ( 10.266 -0.000 3.940) 10.996 13.055 ( 1.039 -0.000 1.687) 1.981 13.580 ( -1.156 0.000 -2.067) 2.368======================= Grid point 287 (120/355) =======================q-point: (-0.08 -0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.831 ( -17.836 -6.937 -2.024) 19.244 1.516 ( -19.577 -3.162 -4.374) 20.307 2.328 ( -16.886 1.360 1.623) 17.018 2.566 ( -1.831 -0.310 -0.663) 1.972 2.758 ( -18.521 -0.422 11.838) 21.985 2.880 ( -6.976 1.475 7.713) 10.504 3.045 ( -4.108 -1.581 4.516) 6.306 3.518 ( 9.566 -0.735 -1.830) 9.767 3.832 ( -3.662 0.959 3.136) 4.916 4.075 ( -5.244 0.507 -12.029) 13.132 4.417 ( -3.904 1.074 4.268) 5.883 4.701 ( -9.463 1.345 0.527) 9.572 4.720 ( -18.340 -1.306 0.916) 18.410 5.082 ( -4.088 0.048 -7.062) 8.160 5.332 ( 2.733 2.358 -11.455) 12.010 5.430 ( 1.376 0.787 -7.278) 7.448 5.636 ( 0.508 -2.454 -4.644) 5.277 5.899 ( 14.709 -0.553 0.495) 14.728 6.701 ( 3.437 3.835 -5.258) 7.360 6.843 ( 1.191 -0.417 8.978) 9.066 6.905 ( 7.651 1.199 11.666) 14.002 6.955 ( -1.171 -1.020 11.721) 11.824 7.412 ( -3.745 3.766 6.641) 8.503 7.518 ( 0.408 -4.421 0.494) 4.467 7.621 ( -8.830 -2.003 -2.304) 9.343 7.850 ( -1.250 -0.054 2.690) 2.967 8.004 ( 8.927 5.545 8.509) 13.522 8.172 ( 3.717 -5.667 11.331) 13.203 8.721 ( 0.451 1.135 -3.288) 3.508 8.733 ( 1.280 -1.086 -3.467) 3.852 9.064 ( 9.616 2.299 9.947) 14.025 9.176 ( -11.228 -0.808 -10.233) 15.213 9.409 ( -7.263 1.565 -2.562) 7.859 9.696 ( 9.328 1.196 -2.554) 9.745 9.898 ( 1.316 -0.683 -4.011) 4.276 9.945 ( -1.564 -0.210 -1.436) 2.134 10.448 ( 5.129 -1.414 3.464) 6.349 11.304 ( -2.182 1.436 -10.947) 11.254 11.872 ( -4.953 -0.395 -5.984) 7.779 12.193 ( 8.947 -0.504 2.906) 9.421 13.061 ( -0.758 1.330 1.189) 1.938 13.561 ( -0.763 -3.398 -2.859) 4.506======================= Grid point 299 (121/355) =======================q-point: (-0.08 -0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -14.217 0.000 5.848) 15.372 1.058 ( -26.320 0.000 -3.516) 26.554 1.997 ( -27.248 0.000 11.426) 29.547 2.215 ( -20.677 0.000 19.583) 28.478 2.434 ( -11.731 0.000 2.985) 12.105 2.969 ( -2.989 0.000 -2.908) 4.170 2.979 ( 6.382 -0.000 2.385) 6.813 3.641 ( 3.314 -0.000 -1.226) 3.533 3.748 ( -6.129 0.000 0.350) 6.139 4.051 ( 2.524 -0.000 -6.894) 7.341 4.237 ( -22.183 0.000 -1.595) 22.240 4.391 ( -1.276 0.000 6.248) 6.377 4.612 ( -5.918 0.000 1.428) 6.088 4.966 ( -5.626 0.000 -7.258) 9.183 5.375 ( 1.350 -0.000 -12.441) 12.514 5.507 ( 6.035 -0.000 -3.228) 6.844 5.659 ( 3.242 -0.000 -5.653) 6.517 6.153 ( 11.410 -0.000 1.419) 11.498 6.751 ( 0.674 -0.000 -1.903) 2.019 6.850 ( -0.012 0.000 4.111) 4.111 6.938 ( -0.006 0.000 8.677) 8.677 7.135 ( 13.377 -0.000 17.068) 21.685 7.315 ( -6.767 0.000 5.770) 8.893 7.465 ( -7.397 0.000 -2.333) 7.756 7.521 ( -0.432 0.000 1.393) 1.458 7.815 ( -0.579 0.000 -1.996) 2.078 8.216 ( 9.696 -0.000 4.950) 10.886 8.291 ( 9.292 -0.000 20.541) 22.545 8.680 ( -3.736 0.000 -4.901) 6.162 8.713 ( -4.129 0.000 -7.889) 8.904 8.938 ( -11.553 0.000 -13.171) 17.520 9.157 ( -3.660 0.000 6.144) 7.152 9.393 ( 5.764 -0.000 3.003) 6.499 9.800 ( 0.887 -0.000 2.655) 2.799 9.927 ( 0.457 -0.000 -1.986) 2.038 9.970 ( 6.484 -0.000 -10.432) 12.283 10.545 ( 5.096 -0.000 6.063) 7.920 11.267 ( -0.956 0.000 -10.276) 10.320 11.766 ( -5.190 0.000 -6.016) 7.945 12.357 ( 7.970 -0.000 1.673) 8.144 13.036 ( -2.606 0.000 0.652) 2.686 13.526 ( -1.003 0.000 -3.402) 3.546======================= Grid point 300 (122/355) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 9.078 -0.000 25.814) 27.364 1.207 ( -3.660 0.000 29.561) 29.787 1.670 ( 8.613 -0.000 40.429) 41.336 2.252 ( -2.825 0.000 7.431) 7.950 2.257 ( 1.349 -0.000 11.447) 11.526 2.784 ( 2.442 -0.000 -9.970) 10.265 2.953 ( -6.077 0.000 -7.797) 9.886 3.411 ( -7.444 0.000 -8.849) 11.564 3.520 ( -0.534 0.000 -16.275) 16.284 3.821 ( 2.245 -0.000 2.535) 3.386 4.191 ( 1.439 -0.000 -0.718) 1.608 4.417 ( -5.585 0.000 0.634) 5.621 4.581 ( 5.385 -0.000 4.254) 6.863 4.856 ( 3.811 -0.000 -3.896) 5.450 5.367 ( 12.367 -0.000 5.393) 13.491 5.790 ( 4.814 -0.000 -1.090) 4.936 5.824 ( 4.639 -0.000 4.902) 6.750 6.403 ( -1.229 0.000 3.951) 4.138 6.715 ( -0.519 0.000 -3.201) 3.243 6.742 ( -13.734 0.000 -3.462) 14.163 6.925 ( -11.716 0.000 -12.595) 17.202 7.014 ( -1.221 0.000 2.399) 2.691 7.055 ( -11.805 0.000 -3.058) 12.195 7.303 ( -1.235 0.000 9.435) 9.515 7.370 ( -4.284 0.000 -3.316) 5.418 7.912 ( 6.161 -0.000 2.435) 6.625 8.099 ( -1.814 0.000 5.849) 6.124 8.477 ( -1.097 0.000 0.746) 1.327 8.635 ( 8.120 -0.000 2.106) 8.389 8.699 ( -2.690 0.000 -1.171) 2.933 8.919 ( -6.601 0.000 -0.877) 6.659 9.286 ( 4.597 -0.000 -3.073) 5.529 9.504 ( -5.453 0.000 1.118) 5.567 9.799 ( 2.200 -0.000 1.490) 2.657 10.073 ( 5.553 -0.000 2.378) 6.041 10.163 ( 10.340 -0.000 2.028) 10.537 10.755 ( -8.830 0.000 5.929) 10.636 11.099 ( 5.662 -0.000 -11.009) 12.380 11.761 ( 10.000 -0.000 4.089) 10.804 12.431 ( -4.573 0.000 -4.454) 6.384 12.986 ( 0.265 -0.000 1.312) 1.338 13.390 ( 0.180 -0.000 -7.161) 7.164======================= Grid point 301 (123/355) =======================q-point: ( 0.08 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -0.441 2.005 25.602) 25.684 1.193 ( 11.811 -4.826 24.669) 27.773 2.182 ( 8.922 4.809 21.460) 23.733 2.201 ( 22.519 -2.602 27.319) 35.499 2.426 ( 11.298 -5.977 11.200) 16.994 2.757 ( -2.524 6.853 -7.162) 10.228 2.849 ( -4.874 -6.960 -8.407) 11.953 3.341 ( -0.446 2.970 -13.435) 13.766 3.465 ( -2.532 -0.390 -19.674) 19.840 3.932 ( 11.113 0.747 4.307) 11.942 4.177 ( -2.620 0.679 -2.284) 3.542 4.366 ( 0.337 -0.529 -2.300) 2.384 4.696 ( 5.039 -2.243 6.712) 8.688 4.961 ( 7.340 0.104 -3.557) 8.157 5.613 ( 9.866 0.644 5.497) 11.313 5.863 ( 0.465 0.534 4.463) 4.519 5.870 ( 2.348 -0.757 -0.545) 2.526 6.314 ( -8.945 3.463 0.733) 9.620 6.412 ( -13.971 -4.276 2.752) 14.867 6.615 ( -9.900 -0.295 -6.446) 11.817 6.781 ( -0.320 -0.137 -0.259) 0.434 6.937 ( -3.623 0.948 -4.052) 5.518 7.012 ( 0.282 -0.694 -1.327) 1.524 7.304 ( -0.683 2.718 1.227) 3.060 7.336 ( 1.188 -1.946 4.887) 5.393 8.048 ( 7.447 0.473 4.700) 8.819 8.087 ( -0.486 -0.343 5.923) 5.953 8.424 ( -3.392 5.234 2.010) 6.553 8.679 ( 0.692 0.027 -2.018) 2.134 8.768 ( 5.005 0.759 1.512) 5.284 8.868 ( 2.518 1.220 2.140) 3.523 9.264 ( -4.566 -1.621 -7.886) 9.255 9.371 ( -7.645 0.418 -1.588) 7.819 9.788 ( -3.233 -0.453 1.668) 3.666 10.161 ( 3.409 0.637 3.559) 4.969 10.355 ( 6.455 -1.204 -3.912) 7.643 10.537 ( -10.861 4.996 1.595) 12.061 11.231 ( 7.638 -0.914 -7.196) 10.533 11.960 ( 9.008 -0.008 6.337) 11.014 12.275 ( -10.486 -0.691 -6.218) 12.211 12.991 ( 2.830 6.942 2.347) 7.855 13.432 ( 0.362 -12.244 -8.562) 14.945======================= Grid point 302 (124/355) =======================q-point: ( 0.17 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 13.237 1.225 12.394) 18.175 1.507 ( 15.221 -7.386 22.097) 27.830 2.172 ( 1.274 6.620 11.668) 13.475 2.590 ( -4.323 -4.357 -0.451) 6.154 2.644 ( 3.813 -0.672 4.570) 5.990 2.826 ( 8.097 -2.986 3.878) 9.462 2.975 ( 28.846 -5.161 21.178) 36.156 3.290 ( 1.131 7.150 -17.148) 18.613 3.434 ( -1.275 -5.065 -16.258) 17.076 4.083 ( -4.949 1.551 -3.998) 6.549 4.265 ( 22.371 1.327 4.717) 22.901 4.416 ( 4.759 0.927 -4.387) 6.539 4.796 ( 3.726 -1.224 8.605) 9.457 5.104 ( 7.803 1.168 -3.845) 8.776 5.581 ( -11.437 4.259 -0.768) 12.228 5.847 ( -0.443 2.855 8.942) 9.397 5.925 ( 0.886 -2.274 -7.667) 8.046 6.109 ( -10.808 -0.896 -5.774) 12.287 6.334 ( 2.987 -3.463 3.681) 5.871 6.445 ( -7.558 -1.931 1.421) 7.929 6.820 ( -2.907 2.818 -2.068) 4.546 6.876 ( 3.580 -1.962 3.022) 5.079 7.018 ( 0.394 -1.055 -2.941) 3.149 7.279 ( -0.477 2.221 3.236) 3.953 7.392 ( 2.979 0.152 3.882) 4.895 8.066 ( -1.516 -2.292 5.015) 5.718 8.212 ( 7.949 1.442 7.140) 10.782 8.322 ( -3.516 4.823 3.533) 6.936 8.700 ( 1.008 -0.075 -1.612) 1.903 8.824 ( 0.446 2.584 1.975) 3.283 8.939 ( 4.276 2.894 4.610) 6.922 9.161 ( -4.649 1.020 -9.306) 10.452 9.266 ( -1.897 -1.498 -3.907) 4.594 9.713 ( -4.677 -1.063 0.429) 4.815 10.192 ( -0.669 0.958 5.453) 5.577 10.289 ( -7.738 5.717 -3.876) 10.372 10.434 ( -2.737 -6.457 -3.088) 7.663 11.366 ( 8.076 5.159 -3.794) 10.307 11.965 ( -9.254 5.845 -3.781) 11.580 12.186 ( 1.196 -9.896 1.401) 10.066 13.028 ( 3.461 4.095 2.162) 5.781 13.485 ( -0.089 -9.601 -7.876) 12.419======================= Grid point 303 (125/355) =======================q-point: ( 0.25 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 13.999 2.458 2.920) 14.510 1.861 ( 15.063 -8.496 18.900) 25.618 2.201 ( 5.219 4.270 5.771) 8.876 2.471 ( -8.937 -5.442 -2.893) 10.856 2.625 ( -3.563 -2.161 -0.726) 4.230 3.010 ( 6.933 1.359 8.657) 11.174 3.291 ( 6.316 3.079 -14.503) 16.115 3.418 ( -0.906 -4.913 -12.606) 13.560 3.616 ( 26.792 -3.086 20.483) 33.866 4.001 ( -0.420 2.368 -6.144) 6.598 4.508 ( 5.899 2.664 -4.144) 7.685 4.708 ( 20.920 1.626 5.863) 21.787 4.871 ( 4.979 -0.268 4.454) 6.685 5.153 ( -8.376 0.080 2.030) 8.618 5.364 ( 0.106 6.223 -10.175) 11.928 5.787 ( -5.768 3.301 -0.097) 6.646 5.874 ( -5.123 -0.401 -8.948) 10.319 5.947 ( -5.994 -2.898 1.419) 6.807 6.360 ( -3.283 -5.617 3.730) 7.499 6.463 ( 3.582 -1.477 0.895) 3.977 6.692 ( -3.971 2.331 -1.648) 4.891 6.981 ( 2.119 -2.475 2.562) 4.145 7.101 ( 9.225 -0.299 7.863) 12.125 7.272 ( 0.747 2.780 6.465) 7.077 7.436 ( 2.031 2.528 0.134) 3.246 8.065 ( -0.961 -4.648 4.420) 6.486 8.247 ( 0.477 6.040 4.533) 7.567 8.354 ( 3.565 -0.867 3.781) 5.269 8.700 ( -1.819 -0.396 1.514) 2.400 8.733 ( -6.799 -0.400 2.254) 7.174 8.964 ( -0.113 7.568 0.219) 7.572 9.147 ( 4.384 -0.938 -5.545) 7.130 9.290 ( 3.402 2.311 -3.981) 5.725 9.641 ( -2.986 -1.212 -0.007) 3.222 10.093 ( -6.511 0.878 -0.660) 6.603 10.197 ( -1.678 2.824 0.675) 3.354 10.384 ( -5.921 -8.248 -2.635) 10.489 11.473 ( 7.276 9.324 -1.941) 11.985 11.729 ( -11.803 -0.250 -8.552) 14.578 12.256 ( -0.091 -7.649 2.327) 7.996 13.068 ( 1.853 1.576 2.074) 3.197 13.518 ( 0.340 -5.013 -5.906) 7.754======================= Grid point 304 (126/355) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.700 ( 7.055 4.337 0.471) 8.295 2.145 ( 6.421 -7.608 14.943) 17.955 2.321 ( 0.125 -4.539 -2.140) 5.020 2.379 ( 2.692 -2.839 -1.087) 4.060 2.572 ( 0.783 2.194 -0.230) 2.340 3.076 ( 1.271 -1.686 6.695) 7.020 3.405 ( 7.055 1.156 -11.081) 13.187 3.429 ( 1.018 -1.531 -4.611) 4.964 3.972 ( 10.667 7.004 -4.400) 13.498 4.116 ( 11.344 0.000 6.319) 12.985 4.593 ( 4.846 2.255 0.892) 5.418 4.825 ( -1.889 -3.157 1.908) 4.144 4.885 ( -15.191 -0.389 3.055) 15.500 5.166 ( 18.545 1.537 -2.148) 18.732 5.443 ( 7.709 5.782 -8.332) 12.739 5.631 ( -10.840 -1.975 -1.100) 11.073 5.737 ( -4.569 2.324 -5.410) 7.453 5.932 ( 2.308 0.331 6.369) 6.783 6.311 ( -9.870 -2.153 -8.151) 12.980 6.392 ( -4.414 -7.402 -2.078) 8.865 6.760 ( 8.365 4.317 9.775) 13.571 7.048 ( 3.363 -4.348 6.363) 8.408 7.258 ( 3.257 3.251 8.832) 9.958 7.321 ( 6.453 0.226 9.468) 11.460 7.466 ( 4.798 4.367 0.501) 6.507 8.070 ( -2.265 -5.540 1.877) 6.272 8.261 ( 2.949 4.128 2.963) 5.875 8.361 ( -2.563 -1.461 -1.808) 3.460 8.584 ( -6.789 -1.492 1.251) 7.063 8.714 ( 0.403 -0.262 6.915) 6.932 8.891 ( -2.863 8.295 -4.148) 9.706 9.235 ( 1.681 -7.110 -1.611) 7.482 9.322 ( 3.619 11.012 -3.883) 12.224 9.645 ( 3.395 -0.969 1.511) 3.840 10.012 ( -1.255 0.049 -2.707) 2.985 10.146 ( -2.673 1.050 1.210) 3.116 10.300 ( -7.162 -8.444 -2.182) 11.285 11.472 ( -6.394 2.991 -12.652) 14.488 11.599 ( 2.630 3.188 1.190) 4.301 12.260 ( -3.126 -5.460 0.579) 6.318 13.084 ( 0.294 0.471 2.608) 2.667 13.540 ( 0.560 -2.125 -4.327) 4.853======================= Grid point 305 (127/355) =======================q-point: ( 0.42 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 6.339 3.949 0.131) 7.470 2.117 ( -9.160 -4.295 -0.452) 10.127 2.332 ( -6.492 -1.304 1.600) 6.812 2.416 ( 5.285 -3.493 7.388) 9.732 2.750 ( 13.803 1.117 -2.395) 14.053 3.160 ( 5.314 -5.967 4.971) 9.411 3.438 ( -0.165 2.289 4.557) 5.102 3.499 ( 4.164 2.410 -14.234) 15.025 4.108 ( 6.858 7.523 -9.257) 13.759 4.224 ( 5.055 6.049 -1.104) 7.960 4.597 ( -10.230 -3.752 -3.605) 11.478 4.685 ( -4.661 -2.523 11.518) 12.679 4.832 ( 2.706 -2.994 1.093) 4.181 5.390 ( -11.342 -1.496 -1.977) 11.610 5.434 ( 9.056 1.348 -1.343) 9.254 5.526 ( 3.014 5.440 -3.616) 7.194 5.719 ( 2.832 2.464 -1.580) 4.073 6.020 ( -2.069 -3.983 1.265) 4.663 6.076 ( -3.936 0.935 -8.349) 9.278 6.376 ( -3.432 -7.983 -2.184) 8.960 6.893 ( 6.669 3.860 10.723) 13.205 7.136 ( 2.226 -0.352 10.662) 10.897 7.302 ( 3.237 -0.877 10.116) 10.657 7.417 ( 3.985 0.220 1.779) 4.370 7.615 ( 10.858 3.435 10.048) 15.188 8.017 ( -5.121 -0.998 -1.623) 5.464 8.280 ( -2.175 -2.097 2.661) 4.026 8.341 ( 1.302 -1.050 -4.761) 5.046 8.500 ( -2.232 -1.193 0.704) 2.627 8.705 ( -3.714 1.267 3.303) 5.129 8.778 ( -2.363 6.993 -1.615) 7.556 9.282 ( -0.922 -9.307 2.446) 9.667 9.310 ( 2.879 13.509 -4.625) 14.566 9.764 ( 7.267 -0.843 1.749) 7.522 10.030 ( 2.895 2.559 -2.240) 4.466 10.083 ( -4.560 -2.036 -1.245) 5.147 10.207 ( -5.636 -5.524 -1.184) 7.980 11.313 ( -8.540 -5.612 -14.769) 17.960 11.672 ( 6.696 7.197 3.244) 10.352 12.203 ( -4.818 -2.855 -1.444) 5.784 13.084 ( -0.218 0.264 3.255) 3.273 13.553 ( 0.371 -0.832 -3.433) 3.552======================= Grid point 306 (128/355) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( -6.550 3.800 -1.554) 7.730 1.987 ( 3.345 1.034 -1.449) 3.790 2.231 ( -3.902 2.294 2.989) 5.424 2.538 ( 4.895 -4.656 7.163) 9.846 2.949 ( 6.078 -0.575 -2.155) 6.475 3.304 ( 5.179 -3.180 0.531) 6.100 3.404 ( -2.152 3.588 9.104) 10.019 3.477 ( -2.912 4.017 -13.002) 13.917 4.143 ( 2.582 -1.965 -10.839) 11.314 4.315 ( 0.178 4.006 1.705) 4.357 4.437 ( -1.928 -3.805 -7.558) 8.678 4.596 ( -6.523 0.295 8.208) 10.488 4.902 ( 1.943 -0.076 4.435) 4.842 5.222 ( -4.711 -1.735 -0.387) 5.036 5.489 ( -1.837 5.095 -0.441) 5.434 5.547 ( 0.730 -0.370 -4.756) 4.826 5.769 ( 1.841 2.220 0.169) 2.889 5.774 ( -12.543 -0.567 -7.763) 14.762 6.278 ( 13.179 -4.017 2.229) 13.957 6.336 ( -3.697 -6.630 -6.072) 9.721 6.989 ( 4.127 2.027 10.630) 11.582 7.142 ( -0.934 3.315 12.068) 12.550 7.404 ( 3.488 -4.872 10.696) 12.260 7.515 ( 6.073 -2.108 2.200) 6.795 7.787 ( 5.106 3.515 3.530) 7.133 7.921 ( -1.037 4.215 5.690) 7.156 8.205 ( -6.772 -3.153 3.002) 8.051 8.392 ( 4.046 -0.361 -6.916) 8.020 8.516 ( 0.249 -4.555 -0.691) 4.614 8.568 ( -5.414 3.815 -3.475) 7.479 8.754 ( 1.104 4.971 5.825) 7.737 9.298 ( 4.373 12.027 1.805) 12.924 9.318 ( -1.422 -9.656 -2.033) 9.970 9.889 ( 4.805 0.118 1.067) 4.924 9.935 ( -10.054 -1.039 -5.824) 11.665 10.069 ( -0.828 -0.989 0.529) 1.394 10.196 ( 4.240 1.885 -0.380) 4.655 11.188 ( -7.288 -9.139 -14.623) 18.721 11.780 ( 7.958 5.707 3.654) 10.452 12.113 ( -5.185 -0.371 -3.429) 6.227 13.083 ( 0.088 0.409 3.617) 3.641 13.558 ( 0.119 -0.312 -3.179) 3.196======================= Grid point 307 (129/355) =======================q-point: (-0.42 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.604 ( -12.026 8.608 1.829) 14.901 2.068 ( -2.993 5.345 0.082) 6.126 2.214 ( 8.663 2.883 -3.978) 9.959 2.667 ( 5.379 -4.697 7.073) 10.051 2.920 ( -9.665 0.204 -2.486) 9.982 3.330 ( 0.966 1.981 -2.899) 3.641 3.343 ( -4.588 0.398 8.017) 9.246 3.455 ( 2.268 2.039 -0.120) 3.052 4.066 ( -13.548 -10.491 -14.414) 22.391 4.326 ( 2.178 -3.495 1.714) 4.460 4.430 ( -5.555 3.166 2.922) 7.030 4.531 ( 4.297 1.770 -0.038) 4.648 4.926 ( 1.971 1.559 1.146) 2.762 5.239 ( 2.006 -1.576 -0.012) 2.551 5.409 ( -3.392 4.058 0.943) 5.372 5.468 ( -7.813 -0.925 -5.820) 9.786 5.535 ( -9.434 -0.273 -7.937) 12.332 5.793 ( 0.155 3.263 3.851) 5.049 6.320 ( 0.326 -5.500 -8.310) 9.971 6.566 ( 13.522 -5.018 3.056) 14.743 7.049 ( 1.658 -0.144 10.167) 10.302 7.121 ( -0.187 2.650 12.139) 12.426 7.465 ( -0.715 -3.021 5.768) 6.550 7.645 ( 3.992 0.008 0.788) 4.069 7.732 ( -2.080 -0.627 -2.366) 3.212 7.998 ( 3.069 3.332 11.233) 12.112 8.089 ( -4.201 2.097 8.740) 9.921 8.405 ( -5.834 -1.130 -1.652) 6.167 8.496 ( 6.745 1.761 -6.270) 9.376 8.606 ( 3.734 -1.653 -1.775) 4.453 8.779 ( 3.158 0.082 5.999) 6.780 9.318 ( -3.839 -8.496 -2.085) 9.554 9.352 ( 6.910 9.666 1.160) 11.939 9.711 ( -12.811 -0.725 -7.049) 14.640 9.937 ( 0.984 1.723 0.474) 2.040 10.039 ( -2.551 -1.391 0.710) 2.992 10.302 ( 7.601 4.484 0.483) 8.838 11.106 ( -4.872 -8.659 -13.978) 17.149 11.916 ( 7.716 2.755 3.983) 9.110 12.013 ( -4.063 1.721 -5.476) 7.033 13.090 ( 0.322 0.254 3.531) 3.555 13.555 ( -0.125 0.316 -3.549) 3.565======================= Grid point 308 (130/355) =======================q-point: (-0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.337 ( -10.167 14.481 6.344) 18.796 1.868 ( -12.219 9.552 -1.819) 15.616 2.397 ( 9.110 0.594 -6.315) 11.101 2.653 ( -15.526 -0.150 -0.188) 15.528 2.795 ( 5.038 -2.469 6.008) 8.220 3.239 ( -7.898 -2.536 8.266) 11.711 3.385 ( 2.305 1.030 -0.755) 2.635 3.436 ( -2.290 2.757 4.928) 6.093 3.850 ( -11.969 -10.678 -11.551) 19.766 4.163 ( -12.740 1.975 6.139) 14.279 4.434 ( 0.879 -1.210 -1.646) 2.224 4.660 ( 7.956 -0.571 -1.015) 8.041 4.982 ( 3.743 0.711 -3.451) 5.140 5.122 ( -15.741 -2.141 -1.367) 15.945 5.201 ( -10.965 1.880 -1.230) 11.193 5.337 ( -5.900 -0.062 -7.845) 9.816 5.607 ( 11.482 1.178 1.064) 11.591 5.757 ( -0.074 3.942 3.053) 4.986 6.397 ( 5.535 -4.191 -8.849) 11.248 6.810 ( 8.211 -3.958 5.155) 10.472 7.087 ( 1.265 -2.105 9.497) 9.810 7.131 ( 1.254 1.396 11.147) 11.304 7.421 ( -2.430 1.961 -2.617) 4.074 7.624 ( -2.219 1.528 -0.388) 2.722 7.754 ( -4.120 -3.565 1.687) 5.704 7.971 ( 0.111 -0.766 6.693) 6.737 8.059 ( -2.726 1.672 8.412) 8.999 8.373 ( 3.089 2.942 8.207) 9.249 8.601 ( 4.664 -0.149 -4.818) 6.707 8.674 ( 3.769 2.722 -1.386) 4.851 8.911 ( 7.423 -8.824 3.574) 12.073 9.236 ( -7.555 -1.817 -3.507) 8.525 9.421 ( -1.458 0.606 -2.145) 2.664 9.517 ( -0.941 2.366 -3.316) 4.181 9.923 ( -1.306 1.340 -0.364) 1.906 9.992 ( -2.850 -0.004 0.810) 2.963 10.421 ( 6.890 3.377 1.629) 7.844 11.070 ( -1.130 -4.186 -12.834) 13.546 11.894 ( -4.793 2.582 -4.894) 7.320 12.082 ( 8.239 0.714 1.999) 8.508 13.093 ( -0.542 -0.605 3.003) 3.110 13.543 ( -0.169 1.821 -4.564) 4.917======================= Grid point 309 (131/355) =======================q-point: (-0.25 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -7.322 19.864 11.677) 24.177 1.530 ( -17.597 8.465 0.422) 19.532 2.359 ( -13.078 -2.174 3.859) 13.808 2.528 ( 3.150 1.776 -5.311) 6.425 2.887 ( 1.711 -3.497 4.073) 5.634 3.053 ( -14.258 -2.130 5.375) 15.386 3.168 ( -18.502 2.215 10.548) 21.413 3.534 ( 8.184 1.288 1.257) 8.380 3.751 ( -2.999 -9.042 -7.677) 12.234 3.955 ( -7.832 3.176 -0.296) 8.457 4.436 ( -1.531 -1.558 -0.730) 2.303 4.704 ( -17.488 -3.056 1.985) 17.863 4.780 ( -4.918 1.500 2.339) 5.649 4.963 ( -7.076 2.320 -4.881) 8.904 5.094 ( 1.274 -1.916 -9.140) 9.425 5.327 ( 6.187 1.476 -3.337) 7.183 5.643 ( -1.873 2.244 2.838) 4.074 5.937 ( 14.924 1.529 2.217) 15.165 6.531 ( 6.923 -2.480 -8.810) 11.476 6.892 ( -0.575 -0.788 2.303) 2.501 7.107 ( -1.551 -2.165 5.539) 6.146 7.207 ( 5.588 -1.043 13.720) 14.851 7.409 ( 0.140 -1.889 -0.061) 1.895 7.545 ( -3.568 3.913 -2.843) 6.010 7.650 ( -5.422 0.420 3.071) 6.245 7.885 ( -8.041 1.659 -0.456) 8.223 8.119 ( 4.618 -7.741 8.956) 12.707 8.440 ( 1.903 -1.352 7.420) 7.779 8.676 ( 3.844 2.324 -2.390) 5.089 8.709 ( 1.964 4.735 2.665) 5.778 8.947 ( -9.677 -3.222 -10.555) 14.677 9.223 ( 5.013 -4.637 7.294) 9.991 9.341 ( -0.070 -1.303 -0.945) 1.611 9.618 ( 7.972 -0.155 -1.969) 8.213 9.883 ( -2.244 0.245 -1.288) 2.599 9.938 ( -2.442 0.865 0.382) 2.619 10.531 ( 5.398 -0.597 3.109) 6.258 11.080 ( 2.958 3.628 -10.666) 11.648 11.778 ( -5.332 2.718 -5.951) 8.440 12.234 ( 7.349 -0.882 2.056) 7.682 13.074 ( -2.718 -2.326 2.401) 4.308 13.522 ( 0.380 4.901 -6.257) 7.957======================= Grid point 310 (132/355) =======================q-point: (-0.17 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( -4.179 19.244 16.478) 25.677 1.181 ( -13.100 6.666 13.455) 19.927 2.163 ( -10.360 -4.936 7.912) 13.939 2.517 ( -3.902 2.707 2.206) 5.237 2.638 ( -27.716 1.516 23.758) 36.536 2.809 ( -9.653 -6.392 -7.979) 14.061 3.015 ( 2.264 3.579 -1.107) 4.377 3.673 ( 5.222 -1.828 4.363) 7.046 3.721 ( -6.972 -2.261 -4.451) 8.575 3.849 ( -1.272 -0.083 -10.901) 10.975 4.242 ( -17.553 -1.447 0.927) 17.636 4.486 ( -1.583 -1.220 3.479) 4.012 4.693 ( -6.621 3.136 5.352) 9.073 4.842 ( -2.792 0.579 -5.739) 6.408 5.144 ( 3.449 1.097 -9.758) 10.407 5.493 ( 10.662 1.014 1.025) 10.759 5.631 ( 1.663 0.658 2.213) 2.845 6.193 ( 11.748 0.405 2.480) 12.014 6.645 ( 4.646 -0.977 -7.950) 9.260 6.864 ( -1.217 0.780 -1.174) 1.862 7.068 ( -3.413 -1.828 4.420) 5.876 7.297 ( -4.847 -3.808 1.639) 6.378 7.371 ( 1.601 0.274 5.003) 5.260 7.481 ( -5.918 -1.408 -0.309) 6.091 7.589 ( -0.924 5.761 4.344) 7.274 7.748 ( -2.615 -0.211 -5.150) 5.780 8.265 ( 4.279 -12.598 7.873) 15.460 8.429 ( -7.969 -8.508 -1.593) 11.766 8.582 ( -6.821 2.473 -5.405) 9.047 8.808 ( 7.837 14.556 5.541) 17.436 8.832 ( 1.254 -1.859 3.183) 3.894 9.189 ( -5.255 -0.399 -0.841) 5.337 9.493 ( 7.040 -0.800 6.966) 9.936 9.796 ( 8.681 -6.978 -1.723) 11.271 9.830 ( -3.115 0.073 -1.464) 3.443 9.918 ( 1.893 1.358 -0.522) 2.388 10.644 ( 3.825 -9.035 4.560) 10.819 11.111 ( 5.351 13.900 -7.852) 16.838 11.663 ( -4.566 1.167 -5.598) 7.317 12.367 ( 5.539 -1.917 0.995) 5.946 13.023 ( -4.594 -5.180 2.380) 7.322 13.492 ( 0.978 9.720 -8.254) 12.789======================= Grid point 311 (133/355) =======================q-point: (-0.08 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 2.612 4.267 23.956) 24.472 1.080 ( 4.953 7.700 29.022) 30.432 1.908 ( -22.953 -0.965 27.066) 35.502 2.275 ( -9.266 -7.006 12.230) 16.867 2.366 ( -7.250 6.726 8.040) 12.746 2.743 ( 0.504 -2.967 -11.414) 11.805 3.032 ( -0.297 1.818 -5.132) 5.453 3.571 ( -6.140 -0.979 -7.173) 9.493 3.645 ( -13.579 0.553 -6.763) 15.180 3.784 ( 0.864 -2.602 1.617) 3.183 4.134 ( 2.945 -1.103 -0.861) 3.260 4.499 ( 1.413 -0.252 3.126) 3.440 4.551 ( -5.878 3.657 3.296) 7.668 4.822 ( 0.790 0.756 -4.420) 4.553 5.203 ( 5.365 1.709 -2.894) 6.330 5.685 ( 8.723 -0.087 3.267) 9.315 5.698 ( 5.178 0.198 1.248) 5.330 6.362 ( 5.483 -0.194 2.830) 6.173 6.702 ( 1.876 -0.393 -5.601) 5.919 6.844 ( -0.786 0.937 -3.148) 3.378 7.027 ( -1.908 -1.285 0.672) 2.397 7.150 ( -9.634 -1.060 -5.326) 11.059 7.322 ( -9.855 0.794 -8.672) 13.152 7.372 ( -6.459 -2.751 8.539) 11.055 7.486 ( -5.635 3.500 -0.201) 6.637 7.804 ( 5.093 -1.401 -1.088) 5.393 8.208 ( -12.172 -4.156 1.007) 12.901 8.434 ( 4.634 -8.567 5.600) 11.235 8.528 ( 0.468 -1.292 -3.110) 3.400 8.765 ( -2.621 2.916 -0.942) 4.033 9.037 ( 4.569 -1.339 5.347) 7.159 9.089 ( 4.966 8.591 5.020) 11.120 9.558 ( -0.566 -0.925 3.992) 4.137 9.776 ( -1.492 -0.187 -0.381) 1.551 9.958 ( 5.571 -2.555 0.744) 6.174 10.013 ( 7.212 0.429 1.042) 7.300 10.770 ( 0.613 -17.316 6.269) 18.427 11.095 ( 2.807 19.065 -8.742) 21.161 11.628 ( 2.736 0.030 -1.781) 3.265 12.451 ( 1.846 -1.785 -1.534) 2.991 12.980 ( -3.070 -7.872 2.540) 8.822 13.438 ( 0.282 12.553 -8.771) 15.316======================= Grid point 313 (134/355) =======================q-point: ( 0.08 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.253 ( 13.417 -0.000 11.655) 17.773 1.465 ( 15.275 -0.000 23.598) 28.110 2.210 ( 0.504 -0.000 12.629) 12.639 2.558 ( -2.856 0.000 -2.297) 3.665 2.645 ( 1.431 -0.000 5.094) 5.292 2.810 ( 10.031 -0.000 4.869) 11.150 2.948 ( 29.283 -0.000 21.178) 36.139 3.348 ( 0.397 -0.000 -14.468) 14.473 3.389 ( -1.562 0.000 -20.082) 20.143 4.091 ( -4.814 0.000 -4.127) 6.341 4.272 ( 22.333 -0.000 4.662) 22.815 4.420 ( 5.079 -0.000 -4.567) 6.830 4.789 ( 4.333 -0.000 8.905) 9.903 5.110 ( 7.845 -0.000 -3.632) 8.645 5.604 ( -11.682 0.000 0.208) 11.683 5.870 ( 1.586 -0.000 9.005) 9.144 5.906 ( 0.716 -0.000 -7.320) 7.354 6.104 ( -13.765 0.000 -8.794) 16.335 6.315 ( 5.162 -0.000 5.560) 7.587 6.436 ( -8.268 0.000 1.147) 8.348 6.841 ( -6.499 0.000 -6.583) 9.251 6.860 ( 7.089 -0.000 7.284) 10.164 7.012 ( 0.333 -0.000 -3.380) 3.397 7.291 ( -0.624 0.000 3.429) 3.485 7.393 ( 3.494 -0.000 4.154) 5.428 8.054 ( -1.764 0.000 5.047) 5.346 8.218 ( 8.084 -0.000 7.277) 10.877 8.350 ( -4.680 0.000 4.554) 6.530 8.700 ( 0.721 -0.000 -0.991) 1.225 8.837 ( -0.225 0.000 1.609) 1.625 8.955 ( 4.946 -0.000 4.366) 6.597 9.166 ( -3.898 0.000 -9.909) 10.648 9.258 ( -1.856 0.000 -4.392) 4.768 9.707 ( -4.733 0.000 0.901) 4.818 10.197 ( -0.798 0.000 5.499) 5.557 10.331 ( -9.767 0.000 -4.390) 10.709 10.388 ( -1.949 0.000 -3.273) 3.810 11.393 ( 8.838 -0.000 -3.652) 9.563 12.019 ( -14.224 0.000 -9.116) 16.895 12.111 ( 5.617 -0.000 5.694) 7.998 13.054 ( 2.021 -0.000 1.276) 2.390 13.430 ( 2.433 -0.000 -5.698) 6.196======================= Grid point 314 (135/355) =======================q-point: ( 0.17 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 14.955 1.621 1.011) 15.076 1.795 ( 15.712 -3.651 21.580) 26.942 2.239 ( 3.150 2.482 5.907) 7.139 2.419 ( -9.024 -3.494 -6.490) 11.652 2.614 ( -2.558 -0.301 2.897) 3.876 3.019 ( 7.318 0.379 8.620) 11.314 3.327 ( 3.694 3.724 -14.041) 14.989 3.370 ( 1.499 -4.377 -14.618) 15.332 3.595 ( 28.070 -1.031 22.090) 35.735 4.018 ( -0.578 0.882 -7.004) 7.083 4.528 ( 6.484 1.013 -4.612) 8.021 4.719 ( 20.170 0.509 6.241) 21.119 4.869 ( 5.271 -0.086 3.900) 6.557 5.152 ( -8.790 -0.064 1.891) 8.991 5.410 ( -0.167 2.409 -9.538) 9.839 5.824 ( -9.891 2.985 -4.253) 11.173 5.872 ( -4.945 0.077 -11.029) 12.087 5.914 ( -0.814 -2.874 6.634) 7.276 6.316 ( -4.735 -2.373 4.245) 6.788 6.452 ( 3.419 -0.625 0.149) 3.479 6.712 ( -3.064 1.161 -0.608) 3.332 6.962 ( 1.134 -1.127 0.806) 1.790 7.099 ( 10.001 -0.100 8.062) 12.846 7.293 ( 0.634 1.095 6.749) 6.866 7.456 ( 3.030 1.112 0.500) 3.266 8.030 ( -1.563 -1.782 4.569) 5.147 8.291 ( -1.013 2.259 6.405) 6.867 8.347 ( 3.715 -0.390 4.243) 5.653 8.696 ( -0.695 -0.225 2.825) 2.918 8.731 ( -8.782 -0.087 1.195) 8.864 9.031 ( 1.892 4.683 3.712) 6.268 9.121 ( 0.194 -2.958 -9.294) 9.755 9.317 ( 7.172 1.885 -5.569) 9.274 9.630 ( -3.014 -0.659 0.616) 3.146 10.099 ( -7.246 0.331 -0.327) 7.261 10.227 ( -1.953 2.657 -1.046) 3.460 10.314 ( -6.208 -4.720 -1.564) 7.953 11.539 ( 7.579 3.190 -1.142) 8.302 11.735 ( -13.817 0.981 -11.561) 18.042 12.192 ( 1.294 -3.766 3.614) 5.378 13.081 ( 0.972 0.720 1.880) 2.235 13.480 ( 2.356 -2.001 -4.776) 5.689======================= Grid point 315 (136/355) =======================q-point: ( 0.25 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 7.514 3.704 -1.280) 8.475 2.075 ( 6.385 -5.461 16.509) 18.524 2.290 ( 0.040 -1.449 -4.184) 4.428 2.347 ( 2.569 -2.845 -1.108) 3.990 2.594 ( 3.071 1.776 2.494) 4.337 3.057 ( -1.825 -1.643 4.550) 5.170 3.404 ( 4.542 -0.753 -0.137) 4.606 3.427 ( 5.674 0.718 -15.900) 16.897 4.037 ( 12.891 5.281 0.466) 13.939 4.107 ( 13.111 -1.671 5.816) 14.440 4.626 ( 4.579 3.565 -1.499) 5.993 4.788 ( -4.892 -3.594 0.687) 6.109 4.879 ( -15.989 -0.623 2.919) 16.265 5.179 ( 18.482 0.850 -2.163) 18.627 5.495 ( 7.559 3.806 -8.914) 12.292 5.617 ( -11.457 -0.887 -0.720) 11.514 5.760 ( -3.472 1.706 -6.930) 7.937 5.938 ( 1.795 0.919 8.664) 8.896 6.279 ( -3.677 -4.191 -0.989) 5.663 6.335 ( -10.484 -2.809 -9.480) 14.411 6.802 ( 8.976 3.555 10.506) 14.268 7.002 ( 2.564 -4.000 4.771) 6.733 7.290 ( 5.486 2.492 8.602) 10.503 7.323 ( 4.406 -0.020 9.412) 10.392 7.509 ( 5.044 3.439 0.618) 6.136 8.018 ( -1.869 -4.010 2.219) 4.950 8.294 ( 1.392 2.087 5.817) 6.335 8.348 ( -3.225 -0.880 -1.748) 3.773 8.574 ( -6.770 -0.488 0.346) 6.796 8.713 ( 1.292 0.028 8.108) 8.210 8.979 ( -2.838 8.530 -3.556) 9.668 9.154 ( -0.732 -8.188 -2.636) 8.633 9.426 ( 6.267 7.931 -6.028) 11.769 9.633 ( 3.225 -1.271 1.965) 3.985 10.012 ( -0.991 -0.072 -2.584) 2.768 10.155 ( -5.051 0.471 0.457) 5.093 10.228 ( -5.113 -5.178 -0.681) 7.308 11.475 ( -12.291 -0.923 -14.236) 18.830 11.650 ( 6.458 4.960 1.186) 8.229 12.208 ( -1.813 -4.012 1.204) 4.564 13.088 ( -0.003 0.311 2.705) 2.723 13.522 ( 1.577 -1.249 -3.947) 4.431======================= Grid point 316 (137/355) =======================q-point: ( 0.33 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( 5.913 3.984 -0.391) 7.140 2.076 ( -5.769 -3.701 0.917) 6.915 2.318 ( -4.851 -1.164 0.862) 5.062 2.387 ( 4.841 -2.112 7.049) 8.809 2.767 ( 13.039 2.151 -2.287) 13.411 3.091 ( 4.169 -6.689 3.075) 8.460 3.459 ( 1.064 1.508 6.745) 6.993 3.522 ( 4.988 1.911 -15.202) 16.113 4.186 ( 5.557 6.981 -10.953) 14.127 4.283 ( 6.272 4.993 1.974) 8.257 4.565 ( -11.841 -2.143 -4.243) 12.759 4.652 ( -6.541 -3.620 10.433) 12.835 4.799 ( 4.517 -3.079 1.867) 5.777 5.377 ( -12.141 -0.987 -1.001) 12.222 5.444 ( 9.480 0.661 -3.214) 10.032 5.584 ( 3.302 5.331 -4.388) 7.654 5.746 ( 2.734 2.657 -0.625) 3.863 5.984 ( -2.961 -2.758 1.452) 4.299 6.088 ( -4.359 1.264 -8.090) 9.276 6.289 ( -3.069 -8.163 -1.654) 8.876 6.938 ( 6.248 4.658 10.640) 13.189 7.106 ( 4.024 -4.812 10.427) 12.169 7.316 ( 1.080 2.695 10.090) 10.500 7.419 ( 3.737 0.217 1.791) 4.150 7.652 ( 10.605 3.431 8.985) 14.317 7.995 ( -2.699 -2.840 -1.585) 4.226 8.261 ( -4.827 -1.227 1.176) 5.118 8.329 ( 0.984 -1.558 -0.135) 1.848 8.495 ( -1.652 0.254 -0.574) 1.767 8.722 ( -1.990 1.645 4.979) 5.609 8.858 ( -3.293 8.458 -2.312) 9.366 9.172 ( -1.976 -10.886 -0.024) 11.064 9.450 ( 3.032 12.286 -4.442) 13.411 9.751 ( 7.197 -1.530 2.155) 7.667 10.042 ( -3.615 -3.428 -1.131) 5.109 10.050 ( -0.426 -0.585 -2.119) 2.239 10.177 ( -1.044 -0.485 -0.071) 1.153 11.256 ( -10.996 -4.906 -14.911) 19.165 11.742 ( 6.276 5.862 2.108) 8.843 12.174 ( -3.528 -2.719 -1.258) 4.629 13.087 ( -0.195 0.215 3.398) 3.410 13.546 ( 0.767 -0.603 -3.374) 3.512======================= Grid point 317 (138/355) =======================q-point: ( 0.42 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -4.026 5.210 -0.323) 6.592 2.001 ( 4.310 1.356 -0.871) 4.602 2.243 ( -2.597 0.156 3.048) 4.007 2.491 ( 4.347 -4.140 6.702) 8.997 2.956 ( 6.703 1.894 -2.588) 7.431 3.253 ( 7.075 -6.373 0.053) 9.523 3.437 ( -3.024 2.670 10.755) 11.487 3.520 ( -2.396 4.200 -14.873) 15.639 4.126 ( -5.039 -1.223 -14.508) 15.407 4.346 ( -7.790 0.704 1.082) 7.896 4.417 ( 5.798 1.177 -2.070) 6.268 4.593 ( -3.634 -0.994 7.452) 8.351 4.899 ( 3.451 -0.461 5.313) 6.352 5.206 ( -4.331 -1.166 -0.877) 4.570 5.542 ( 0.931 0.688 -3.945) 4.111 5.548 ( -3.282 4.596 -1.557) 5.858 5.761 ( -12.595 -0.994 -10.129) 16.193 5.799 ( 2.287 2.389 2.667) 4.249 6.240 ( 12.158 -3.231 1.779) 12.705 6.262 ( -3.175 -7.239 -4.897) 9.298 7.016 ( 3.288 3.047 10.555) 11.467 7.162 ( -0.801 0.171 12.853) 12.879 7.363 ( 2.998 -2.567 9.999) 10.750 7.502 ( 5.170 -0.745 1.280) 5.378 7.829 ( 6.358 4.357 3.879) 8.629 7.951 ( -0.187 1.569 3.635) 3.963 8.179 ( -4.648 -1.796 2.980) 5.806 8.358 ( 0.038 -5.692 -4.204) 7.076 8.492 ( 0.800 -0.222 -1.639) 1.838 8.617 ( -4.371 5.372 -3.866) 7.932 8.810 ( 0.659 5.762 6.181) 8.475 9.198 ( -1.566 -11.626 0.819) 11.759 9.437 ( 3.290 12.709 -1.119) 13.176 9.885 ( 4.983 -1.166 1.994) 5.493 9.905 ( -9.570 -4.073 -5.130) 11.597 10.057 ( -1.949 -1.106 0.479) 2.292 10.239 ( 7.975 5.701 -1.136) 9.869 11.090 ( -8.902 -9.501 -14.289) 19.331 11.837 ( 6.631 4.994 2.702) 8.730 12.107 ( -4.005 -0.682 -3.630) 5.448 13.088 ( 0.142 0.374 3.658) 3.680 13.555 ( 0.351 -0.262 -3.212) 3.241======================= Grid point 318 (139/355) =======================q-point: (-0.50 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( -8.128 11.341 3.365) 14.353 2.115 ( 1.508 3.426 0.284) 3.754 2.242 ( 6.018 2.048 -1.505) 6.533 2.611 ( 4.508 -5.605 6.631) 9.783 2.941 ( -7.126 3.746 -3.787) 8.897 3.344 ( -6.330 0.538 11.216) 12.890 3.350 ( 1.805 0.658 -5.311) 5.647 3.465 ( 1.017 0.397 -2.394) 2.632 3.953 ( -14.381 -10.823 -17.539) 25.131 4.303 ( -1.787 -1.120 5.768) 6.141 4.452 ( -0.428 1.188 0.440) 1.337 4.550 ( 0.921 1.734 0.944) 2.179 4.943 ( 2.117 1.834 2.639) 3.849 5.229 ( 2.410 -0.072 1.040) 2.626 5.447 ( -4.766 3.091 0.662) 5.719 5.461 ( -7.886 -0.339 -6.526) 10.242 5.534 ( -8.058 -0.037 -7.812) 11.223 5.822 ( -0.013 2.066 3.954) 4.461 6.262 ( 1.107 -5.410 -6.716) 8.694 6.512 ( 13.206 -5.096 2.468) 14.368 7.052 ( 0.710 0.877 10.178) 10.240 7.142 ( -1.059 1.127 12.584) 12.679 7.433 ( 1.029 -3.131 7.705) 8.381 7.625 ( 6.327 -2.221 3.056) 7.369 7.765 ( -5.262 5.093 -9.199) 11.758 8.033 ( 2.401 3.418 9.790) 10.643 8.108 ( -2.161 1.587 10.616) 10.949 8.357 ( -2.953 -7.174 -4.428) 8.933 8.519 ( 3.294 0.262 -4.545) 5.619 8.593 ( 3.814 1.518 -3.122) 5.157 8.807 ( 1.319 4.172 6.147) 7.545 9.223 ( -2.015 -9.443 0.721) 9.683 9.453 ( 4.300 9.406 1.053) 10.396 9.700 ( -12.278 -1.391 -6.230) 13.838 9.952 ( 1.376 1.027 0.483) 1.783 10.022 ( -2.276 -1.825 0.430) 2.948 10.363 ( 8.308 7.473 -0.635) 11.193 11.003 ( -4.333 -10.997 -12.616) 17.288 11.946 ( 6.228 2.829 3.497) 7.682 12.030 ( -3.016 1.452 -6.148) 7.000 13.092 ( 0.079 0.275 3.441) 3.453 13.558 ( 0.431 0.335 -3.685) 3.725======================= Grid point 319 (140/355) =======================q-point: (-0.42 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -6.013 17.374 7.828) 19.982 1.976 ( -10.349 10.679 -1.124) 14.914 2.403 ( 7.943 0.274 -4.159) 8.970 2.633 ( -11.137 -3.600 2.338) 11.935 2.789 ( 0.974 1.411 2.158) 2.756 3.214 ( -8.569 -2.275 8.508) 12.288 3.395 ( 0.265 0.820 -2.421) 2.570 3.457 ( -0.937 0.781 4.250) 4.422 3.734 ( -11.410 -11.200 -14.492) 21.578 4.167 ( -11.381 -0.933 6.834) 13.308 4.436 ( -0.534 1.462 -0.995) 1.847 4.651 ( 7.701 -1.002 -0.937) 7.823 4.986 ( 1.795 0.158 -2.436) 3.031 5.101 ( -15.208 -1.839 -0.913) 15.345 5.228 ( -11.040 3.290 0.535) 11.532 5.339 ( -4.651 0.470 -7.924) 9.200 5.616 ( 10.356 0.535 1.170) 10.435 5.794 ( 0.384 2.984 3.043) 4.279 6.355 ( 6.513 -3.564 -7.138) 10.299 6.762 ( 8.983 -5.138 4.731) 11.379 7.068 ( 0.380 -1.455 9.888) 10.002 7.142 ( 0.311 0.574 11.031) 11.050 7.433 ( -1.990 0.182 2.752) 3.401 7.646 ( -3.386 2.799 -6.654) 7.973 7.728 ( 1.063 -1.113 1.272) 1.997 7.973 ( -2.882 1.217 4.623) 5.582 8.075 ( -4.369 1.344 8.525) 9.673 8.389 ( 3.711 0.098 6.615) 7.586 8.576 ( 1.498 -6.115 -2.692) 6.848 8.694 ( 6.298 2.098 -5.438) 8.581 8.858 ( 5.435 -0.953 2.958) 6.260 9.206 ( -3.837 -3.689 0.812) 5.384 9.420 ( -8.537 -0.385 -4.929) 9.865 9.550 ( 2.020 3.574 0.880) 4.199 9.935 ( -1.947 0.844 -1.842) 2.810 9.991 ( -1.939 -0.075 1.340) 2.358 10.463 ( 5.536 4.740 -0.357) 7.297 11.019 ( 2.316 -5.640 -9.477) 11.269 11.925 ( -3.879 3.451 -5.179) 7.334 12.088 ( 6.958 0.251 1.214) 7.068 13.087 ( -1.242 -0.572 2.923) 3.227 13.563 ( 1.236 2.024 -5.136) 5.657======================= Grid point 320 (141/355) =======================q-point: (-0.33 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -3.132 23.682 12.454) 26.940 1.642 ( -17.183 13.080 -1.305) 21.634 2.335 ( -14.003 -2.284 4.762) 14.966 2.546 ( 2.758 1.560 -4.527) 5.526 2.826 ( -3.392 -7.849 3.804) 9.359 3.046 ( -10.402 0.356 6.797) 12.431 3.189 ( -16.575 1.892 8.374) 18.666 3.532 ( 4.218 -3.238 0.298) 5.326 3.668 ( 1.134 -5.305 -10.286) 11.628 3.977 ( -8.334 1.200 0.843) 8.462 4.422 ( -1.071 -1.108 -0.461) 1.608 4.672 ( -19.718 -2.840 1.457) 19.975 4.785 ( -2.120 -0.503 0.751) 2.305 4.996 ( -7.337 3.814 -2.496) 8.638 5.075 ( 1.481 -1.674 -6.581) 6.951 5.346 ( 6.575 2.189 -2.990) 7.547 5.661 ( -2.192 0.848 2.978) 3.794 5.957 ( 14.159 2.223 2.267) 14.510 6.507 ( 7.950 -1.909 -7.328) 10.979 6.878 ( 0.928 -2.015 3.445) 4.098 7.084 ( -1.294 -2.061 5.819) 6.308 7.187 ( 3.082 -2.715 13.930) 14.523 7.394 ( -2.538 -1.002 1.913) 3.332 7.587 ( -0.510 3.830 -5.675) 6.866 7.664 ( -5.062 2.665 -0.775) 5.773 7.903 ( -6.895 1.733 1.827) 7.341 8.040 ( 0.373 -6.878 7.176) 9.947 8.423 ( -1.900 -2.165 3.815) 4.780 8.675 ( 5.913 -4.478 3.588) 8.240 8.748 ( 0.525 3.598 -2.974) 4.698 8.923 ( -2.897 -0.455 -10.208) 10.621 9.187 ( 3.133 -1.938 8.364) 9.140 9.325 ( 1.080 -1.669 -0.494) 2.049 9.608 ( 3.219 -1.755 0.493) 3.699 9.887 ( -2.290 0.459 -2.995) 3.798 9.947 ( -2.356 0.897 0.826) 2.652 10.525 ( 2.346 -0.452 -0.713) 2.493 11.120 ( 8.223 3.870 -4.738) 10.249 11.816 ( -4.972 4.456 -6.593) 9.383 12.220 ( 6.230 -1.783 2.009) 6.784 13.049 ( -3.927 -2.229 2.638) 5.229 13.579 ( 3.215 5.668 -8.012) 10.328======================= Grid point 321 (142/355) =======================q-point: (-0.25 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -6.571 26.906 8.067) 28.848 1.281 ( -9.057 12.686 15.426) 21.930 2.104 ( -12.884 -6.003 9.227) 16.946 2.539 ( -4.275 0.924 4.169) 6.042 2.664 ( -26.189 3.367 22.386) 34.617 2.720 ( -9.090 -10.378 -8.131) 16.014 3.067 ( 2.304 6.122 -0.806) 6.591 3.623 ( 2.393 -8.094 1.795) 8.629 3.704 ( -3.250 -0.415 -5.981) 6.820 3.852 ( -3.343 0.435 -8.993) 9.604 4.224 ( -17.966 -1.694 0.972) 18.072 4.471 ( 0.470 -1.424 2.555) 2.962 4.731 ( -5.593 3.611 5.839) 8.855 4.851 ( -3.216 1.143 -5.136) 6.167 5.159 ( 5.568 1.636 -7.566) 9.535 5.508 ( 10.494 1.866 1.058) 10.711 5.637 ( 0.551 0.242 2.159) 2.241 6.199 ( 11.241 0.757 2.418) 11.523 6.636 ( 5.138 -0.632 -6.688) 8.457 6.875 ( -0.253 1.098 -0.498) 1.232 7.044 ( -4.024 -2.595 4.228) 6.388 7.255 ( -3.105 -4.572 5.068) 7.498 7.344 ( -2.108 -4.262 7.134) 8.573 7.508 ( -5.087 5.481 -5.377) 9.210 7.637 ( 2.205 2.945 0.998) 3.812 7.752 ( -6.002 1.462 -2.248) 6.574 8.101 ( -2.131 -16.845 7.149) 18.423 8.365 ( -5.848 -5.257 -0.498) 7.879 8.624 ( -6.732 5.131 -7.307) 11.182 8.798 ( 1.193 -4.629 2.272) 5.293 8.931 ( 8.696 8.587 3.226) 12.640 9.194 ( -1.967 1.665 2.491) 3.584 9.482 ( 7.495 -1.247 7.300) 10.537 9.710 ( 6.256 -9.332 -1.082) 11.287 9.832 ( -3.362 0.192 -2.234) 4.041 9.926 ( 1.412 0.198 -0.375) 1.474 10.561 ( -0.264 -6.540 -1.010) 6.623 11.261 ( 10.919 13.856 -0.490) 17.648 11.684 ( -5.637 3.127 -6.542) 9.184 12.337 ( 4.261 -3.667 2.043) 5.981 12.969 ( -6.396 -4.618 3.519) 8.638 13.609 ( 5.482 11.845 -12.437) 18.029======================= Grid point 322 (143/355) =======================q-point: (-0.17 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -3.083 12.008 16.784) 20.866 1.221 ( 5.745 18.048 26.979) 32.963 1.885 ( -16.774 -3.564 22.870) 28.585 2.216 ( -16.547 -3.341 19.489) 25.784 2.422 ( -5.543 3.188 6.536) 9.144 2.690 ( 0.470 -6.517 -10.197) 12.111 3.069 ( 0.087 5.353 -5.089) 7.386 3.557 ( -7.772 -1.458 -7.435) 10.854 3.650 ( -11.931 -0.079 -5.376) 13.086 3.733 ( 0.083 -6.935 -0.692) 6.970 4.116 ( 2.595 -2.099 -0.114) 3.339 4.509 ( 1.377 2.245 0.914) 2.788 4.601 ( -3.473 5.127 4.472) 7.639 4.835 ( 1.297 1.614 -4.122) 4.613 5.236 ( 5.726 4.475 -2.399) 7.653 5.678 ( 5.501 -1.341 2.521) 6.198 5.707 ( 7.996 1.563 1.779) 8.339 6.358 ( 4.962 -0.574 2.727) 5.691 6.697 ( 2.069 -0.386 -4.749) 5.194 6.862 ( -0.778 2.554 -2.670) 3.776 7.002 ( -1.837 -3.552 -0.371) 4.015 7.133 ( -9.211 -1.939 -3.206) 9.944 7.300 ( -8.735 -5.443 2.832) 10.675 7.370 ( -7.291 3.111 -5.101) 9.426 7.534 ( -7.764 5.076 0.989) 9.329 7.773 ( 4.045 -4.630 -0.132) 6.150 8.107 ( -6.526 -14.996 8.476) 18.420 8.328 ( 0.187 -7.988 1.342) 8.103 8.544 ( 1.831 3.651 -2.247) 4.662 8.781 ( -3.198 -0.328 -1.121) 3.405 9.022 ( -3.187 -1.485 0.206) 3.522 9.213 ( 11.432 13.301 6.310) 18.640 9.539 ( -1.542 -2.842 3.985) 5.132 9.772 ( -1.794 -0.570 -0.606) 1.977 9.913 ( 8.148 -5.673 1.133) 9.993 10.012 ( 7.136 -0.997 2.112) 7.509 10.589 ( -2.206 -14.936 -0.228) 15.100 11.316 ( 2.521 21.234 -3.101) 21.607 11.629 ( 3.523 0.185 -1.169) 3.717 12.415 ( 1.057 -5.122 0.698) 5.276 12.886 ( -5.392 -8.121 5.965) 11.428 13.621 ( 5.008 19.641 -16.955) 26.425======================= Grid point 323 (144/355) =======================q-point: (-0.08 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( 9.079 2.955 24.787) 26.562 1.228 ( -6.964 3.604 28.825) 29.872 1.734 ( 11.054 11.555 37.802) 41.045 2.129 ( -1.645 -12.362 12.233) 17.469 2.354 ( 0.362 7.617 8.680) 11.554 2.742 ( 1.249 -6.835 -8.833) 11.239 2.986 ( -4.704 5.385 -8.619) 11.199 3.412 ( -7.568 0.266 -8.727) 11.555 3.498 ( -1.346 -3.717 -14.773) 15.293 3.803 ( 2.988 -3.591 2.825) 5.459 4.180 ( 1.627 -1.982 -0.762) 2.675 4.431 ( -5.199 2.520 -0.312) 5.786 4.618 ( 4.988 6.381 3.501) 8.824 4.862 ( 3.443 1.274 -3.962) 5.402 5.380 ( 11.793 2.427 5.162) 13.100 5.782 ( 4.874 -1.574 -0.783) 5.182 5.832 ( 4.585 1.513 4.361) 6.506 6.396 ( -1.539 -1.371 3.685) 4.222 6.715 ( -0.375 0.009 -3.177) 3.199 6.744 ( -14.008 0.172 -2.894) 14.305 6.929 ( -10.351 0.709 -11.894) 15.784 7.005 ( -2.511 -1.565 1.882) 3.507 7.053 ( -10.653 -0.493 -2.046) 10.859 7.286 ( -1.445 -2.562 6.733) 7.347 7.386 ( -4.617 2.530 -1.153) 5.390 7.896 ( 6.466 -3.216 3.001) 7.820 8.091 ( -0.585 -1.714 6.501) 6.749 8.399 ( 0.152 -12.119 2.062) 12.294 8.633 ( 7.117 -0.134 1.230) 7.224 8.711 ( -2.666 1.321 -1.582) 3.370 8.909 ( -6.606 -1.461 -0.625) 6.794 9.328 ( 2.462 6.908 -3.449) 8.104 9.491 ( -5.207 -2.384 1.227) 5.857 9.798 ( 2.499 -0.273 1.408) 2.882 10.062 ( 5.942 -1.853 2.309) 6.639 10.179 ( 10.862 2.565 2.444) 11.425 10.624 ( -4.966 -18.983 3.123) 19.869 11.204 ( -0.329 14.373 -8.613) 16.759 11.774 ( 10.253 2.545 4.909) 11.649 12.412 ( -4.229 -3.572 -2.840) 6.222 12.894 ( 0.347 -11.801 6.405) 13.431 13.544 ( 0.503 23.154 -15.834) 28.055======================= Grid point 326 (145/355) =======================q-point: ( 0.17 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.765 ( 7.700 -0.000 -2.457) 8.083 2.044 ( 6.330 -0.000 17.456) 18.569 2.285 ( -0.500 0.000 -5.394) 5.417 2.330 ( 3.371 -0.000 -0.393) 3.394 2.604 ( 3.700 -0.000 3.470) 5.073 3.048 ( -3.085 0.000 3.757) 4.861 3.400 ( 4.606 -0.000 0.608) 4.646 3.432 ( 6.385 -0.000 -16.803) 17.975 4.077 ( 19.550 -0.000 16.838) 25.801 4.085 ( 7.895 -0.000 -9.130) 12.070 4.650 ( 6.305 -0.000 -2.453) 6.766 4.764 ( -7.757 0.000 0.381) 7.766 4.876 ( -16.285 0.000 2.943) 16.549 5.183 ( 18.438 -0.000 -2.155) 18.563 5.515 ( 7.645 -0.000 -8.986) 11.798 5.612 ( -11.858 0.000 -0.749) 11.881 5.769 ( -2.998 0.000 -7.927) 8.475 5.945 ( 1.695 -0.000 9.965) 10.108 6.251 ( -2.154 0.000 1.464) 2.604 6.323 ( -12.060 0.000 -11.967) 16.990 6.823 ( 9.690 -0.000 11.203) 14.812 6.978 ( 1.716 -0.000 3.733) 4.109 7.304 ( 8.925 -0.000 8.240) 12.147 7.322 ( 1.117 -0.000 9.665) 9.730 7.528 ( 5.176 -0.000 0.541) 5.204 7.996 ( -1.856 0.000 2.431) 3.058 8.304 ( 0.798 -0.000 6.843) 6.889 8.344 ( -3.510 0.000 -1.630) 3.870 8.572 ( -6.640 0.000 -0.034) 6.640 8.713 ( 1.614 -0.000 8.535) 8.686 9.061 ( -1.647 0.000 6.794) 6.991 9.073 ( -2.558 0.000 -13.415) 13.657 9.470 ( 7.300 -0.000 -7.142) 10.213 9.624 ( 2.994 -0.000 2.606) 3.969 10.011 ( -0.914 0.000 -2.505) 2.667 10.156 ( -8.438 0.000 -0.278) 8.443 10.201 ( -1.958 0.000 0.374) 1.993 11.469 ( -13.109 0.000 -13.970) 19.158 11.678 ( 6.389 -0.000 0.210) 6.392 12.186 ( -1.205 0.000 1.579) 1.986 13.090 ( -0.126 0.000 2.743) 2.746 13.516 ( 1.967 -0.000 -3.805) 4.284======================= Grid point 327 (146/355) =======================q-point: ( 0.25 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.870 ( 5.568 2.037 -0.944) 6.004 2.045 ( -3.576 -1.873 1.992) 4.501 2.310 ( -4.026 -0.390 0.301) 4.056 2.372 ( 4.619 -0.691 6.951) 8.375 2.788 ( 13.128 1.347 -2.495) 13.431 3.036 ( 2.899 -3.176 2.663) 5.058 3.469 ( 1.688 0.496 7.470) 7.674 3.537 ( 5.468 0.726 -15.606) 16.552 4.242 ( 6.680 3.303 -12.384) 14.454 4.318 ( 5.438 1.604 3.370) 6.596 4.556 ( -11.349 0.202 -3.750) 11.954 4.616 ( -9.953 -2.663 9.234) 13.835 4.775 ( 6.295 -1.339 2.895) 7.057 5.370 ( -12.323 -0.322 -0.754) 12.350 5.448 ( 9.303 0.191 -3.890) 10.086 5.626 ( 3.986 2.258 -5.392) 7.075 5.768 ( 2.592 1.322 -0.442) 2.943 5.965 ( -4.030 -0.837 2.025) 4.588 6.100 ( -4.732 0.896 -7.171) 8.638 6.221 ( -2.517 -4.141 -1.731) 5.146 6.989 ( 6.381 5.060 10.859) 13.573 7.050 ( 4.235 -5.397 9.642) 11.834 7.341 ( 0.203 1.488 11.345) 11.444 7.420 ( 3.852 -0.014 0.839) 3.943 7.680 ( 10.290 1.587 8.532) 13.461 7.969 ( -1.345 -1.549 -1.625) 2.616 8.255 ( -4.950 -0.133 -1.764) 5.257 8.313 ( -0.909 -1.128 4.360) 4.594 8.500 ( -1.092 0.399 -1.144) 1.631 8.735 ( -0.916 0.707 6.101) 6.210 8.953 ( -3.465 9.814 -2.472) 10.697 9.060 ( -2.971 -10.677 -1.175) 11.145 9.549 ( 3.528 5.761 -6.435) 9.330 9.735 ( 6.967 -1.305 3.823) 8.053 9.999 ( -8.514 -2.808 -1.556) 9.099 10.053 ( 3.151 0.138 -0.554) 3.202 10.180 ( 1.570 0.531 -0.488) 1.728 11.219 ( -12.407 -1.962 -14.956) 19.531 11.786 ( 5.740 2.343 1.387) 6.353 12.152 ( -2.654 -1.220 -1.082) 3.115 13.088 ( -0.186 0.083 3.485) 3.490 13.541 ( 0.996 -0.220 -3.341) 3.494======================= Grid point 328 (147/355) =======================q-point: ( 0.33 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( -1.093 5.043 0.689) 5.206 2.010 ( 4.925 0.054 -0.129) 4.927 2.237 ( -3.057 -1.030 2.532) 4.100 2.457 ( 3.952 -2.360 6.516) 7.977 2.985 ( 7.804 3.398 -3.624) 9.250 3.183 ( 7.873 -6.452 0.546) 10.193 3.458 ( -3.486 1.334 11.463) 12.055 3.558 ( -1.490 2.869 -15.878) 16.204 4.117 ( -12.558 -0.634 -17.922) 21.893 4.334 ( -3.495 -1.704 -0.956) 4.004 4.454 ( 0.642 4.383 6.279) 7.684 4.576 ( 0.622 -2.073 4.963) 5.414 4.893 ( 4.656 -0.526 5.866) 7.507 5.199 ( -3.674 -0.394 -1.190) 3.882 5.539 ( 0.402 -0.242 -5.873) 5.892 5.600 ( -4.052 4.221 -0.777) 5.903 5.754 ( -12.376 -0.294 -9.728) 15.744 5.816 ( 1.880 0.961 3.365) 3.972 6.196 ( -1.772 -5.038 -4.591) 7.042 6.213 ( 10.943 -1.850 1.918) 11.263 7.051 ( 2.515 3.773 10.389) 11.335 7.144 ( 0.425 -3.174 13.015) 13.404 7.351 ( 1.273 -0.107 10.222) 10.302 7.498 ( 4.905 -0.066 0.195) 4.910 7.873 ( 8.252 3.931 6.876) 11.438 7.955 ( 0.256 -0.751 -0.688) 1.050 8.170 ( -3.545 0.059 1.305) 3.778 8.296 ( -2.737 -5.379 -0.801) 6.088 8.497 ( 0.587 0.656 -1.526) 1.762 8.669 ( -3.384 4.147 -3.285) 6.280 8.874 ( -0.548 6.728 5.067) 8.440 9.081 ( -0.762 -10.806 0.963) 10.876 9.555 ( 2.275 9.678 -1.869) 10.116 9.839 ( -5.668 -5.866 0.695) 8.186 9.888 ( 2.538 -0.275 -1.481) 2.952 10.047 ( -2.609 -0.739 0.302) 2.728 10.299 ( 10.462 5.064 -1.914) 11.780 11.002 ( -10.967 -6.704 -14.208) 19.159 11.879 ( 5.554 3.015 2.125) 6.667 12.100 ( -2.999 -0.641 -3.801) 4.884 13.091 ( 0.179 0.224 3.692) 3.703 13.552 ( 0.523 -0.148 -3.238) 3.283======================= Grid point 329 (148/355) =======================q-point: (-0.58 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( -4.517 12.063 4.635) 13.690 2.135 ( 2.868 0.290 1.034) 3.062 2.247 ( 5.408 -1.080 0.977) 5.600 2.563 ( 4.297 -3.259 5.219) 7.505 2.992 ( -4.948 5.791 -4.944) 9.081 3.335 ( 3.919 -3.699 -0.743) 5.440 3.349 ( -7.421 0.260 10.673) 13.002 3.476 ( -1.947 1.955 -8.006) 8.468 3.852 ( -15.322 -8.376 -18.991) 25.799 4.298 ( -4.714 0.095 8.655) 9.856 4.458 ( 3.294 0.240 -0.560) 3.350 4.564 ( -1.889 0.800 0.309) 2.075 4.961 ( 2.564 1.370 3.704) 4.709 5.238 ( 3.102 1.514 2.326) 4.162 5.461 ( -5.921 0.479 -7.442) 9.522 5.471 ( -7.639 1.575 -1.054) 7.871 5.533 ( -7.860 -0.141 -6.173) 9.995 5.834 ( -0.591 0.284 4.350) 4.399 6.215 ( 2.661 -3.531 -5.627) 7.156 6.465 ( 12.790 -3.887 2.118) 13.535 7.066 ( -0.521 1.822 11.066) 11.227 7.142 ( -1.336 -1.081 12.194) 12.314 7.405 ( 1.798 -2.110 8.051) 8.516 7.612 ( 6.654 -0.399 1.945) 6.944 7.819 ( -5.663 5.045 -10.420) 12.888 8.067 ( 3.602 3.230 9.464) 10.629 8.122 ( -1.389 1.133 10.342) 10.496 8.272 ( -1.716 -8.584 -5.342) 10.255 8.503 ( -0.371 -1.999 -1.905) 2.786 8.635 ( 3.710 5.059 -5.312) 8.220 8.850 ( 0.250 3.717 4.375) 5.747 9.130 ( 0.155 -8.170 3.355) 8.833 9.542 ( 0.810 7.678 0.727) 7.755 9.682 ( -10.081 -2.031 -4.553) 11.246 9.959 ( 1.867 0.409 1.070) 2.190 10.003 ( -2.233 -1.807 -0.121) 2.875 10.454 ( 9.059 9.832 -1.982) 13.515 10.883 ( -4.386 -12.001 -11.441) 17.151 11.972 ( 5.142 2.080 3.039) 6.325 12.042 ( -2.263 0.929 -6.614) 7.052 13.095 ( -0.126 0.215 3.371) 3.380 13.561 ( 0.914 0.258 -3.802) 3.919======================= Grid point 330 (149/355) =======================q-point: (-0.50 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -3.059 17.633 8.836) 19.958 2.072 ( -7.125 6.845 0.937) 9.924 2.400 ( 6.266 -0.922 -1.173) 6.441 2.595 ( -5.241 -2.839 3.921) 7.134 2.819 ( -5.325 4.173 -2.525) 7.221 3.190 ( -9.702 -2.513 7.975) 12.808 3.400 ( -1.115 -0.178 -5.244) 5.364 3.439 ( -2.574 -4.361 3.658) 6.247 3.639 ( -7.164 -6.160 -15.429) 18.092 4.152 ( -10.331 -1.621 8.041) 13.192 4.456 ( -2.494 2.118 -1.232) 3.496 4.639 ( 8.001 -1.316 -1.074) 8.179 4.990 ( -0.459 0.767 -1.330) 1.603 5.084 ( -15.569 -1.519 -0.364) 15.648 5.266 ( -10.559 3.833 2.325) 11.471 5.346 ( -3.385 0.892 -8.167) 8.885 5.614 ( 8.576 -1.173 1.435) 8.774 5.818 ( 1.615 1.748 3.319) 4.084 6.327 ( 7.854 -1.853 -5.815) 9.946 6.708 ( 9.420 -4.898 4.191) 11.415 7.056 ( -0.733 -1.010 12.484) 12.546 7.144 ( -0.219 -0.203 9.152) 9.157 7.428 ( -1.145 -0.958 5.240) 5.449 7.679 ( -4.527 3.401 -10.665) 12.075 7.730 ( 4.497 1.274 1.428) 4.887 7.996 ( -4.981 3.133 2.360) 6.340 8.085 ( -4.941 0.631 7.512) 9.013 8.376 ( 6.768 -3.002 7.117) 10.270 8.485 ( -3.909 -9.546 -2.460) 10.605 8.729 ( 7.556 4.228 -7.866) 11.698 8.869 ( 3.719 1.840 1.273) 4.340 9.165 ( -0.404 -3.986 5.406) 6.729 9.418 ( -10.475 0.207 -5.936) 12.042 9.583 ( 0.104 2.729 3.132) 4.155 9.940 ( -2.220 0.222 -2.758) 3.547 9.990 ( -0.990 -0.139 1.813) 2.070 10.516 ( 2.613 5.363 -3.322) 6.829 10.957 ( 7.085 -6.094 -5.389) 10.788 11.963 ( -2.759 3.654 -5.931) 7.493 12.086 ( 5.508 -0.555 0.984) 5.622 13.082 ( -1.807 -0.395 2.849) 3.397 13.583 ( 2.494 1.693 -5.665) 6.417======================= Grid point 331 (150/355) =======================q-point: (-0.42 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -0.851 21.461 13.582) 25.412 1.795 ( -15.123 15.799 -2.137) 21.974 2.315 ( -14.044 -1.344 4.515) 14.813 2.558 ( 1.748 0.638 -1.572) 2.436 2.738 ( -8.692 -8.472 2.097) 12.317 3.043 ( -7.830 -2.067 7.125) 10.786 3.205 ( -14.454 0.990 6.289) 15.794 3.462 ( 0.186 -8.098 -4.063) 9.062 3.655 ( 6.177 1.493 -9.347) 11.302 3.982 ( -8.357 -0.212 2.257) 8.659 4.414 ( -1.095 -0.478 -0.447) 1.276 4.648 ( -22.018 -1.792 1.117) 22.119 4.773 ( 0.228 -1.642 -0.297) 1.684 5.034 ( -3.023 2.568 -3.180) 5.084 5.065 ( -2.734 0.297 -1.389) 3.081 5.370 ( 6.814 2.331 -2.981) 7.795 5.657 ( -2.355 -1.496 3.969) 4.851 5.981 ( 13.349 2.450 2.327) 13.770 6.496 ( 9.230 -0.213 -6.055) 11.041 6.850 ( 2.592 -3.305 4.323) 6.028 7.065 ( -1.075 -1.746 8.915) 9.148 7.157 ( 0.605 -2.550 11.095) 11.400 7.386 ( -3.754 -0.531 3.036) 4.858 7.617 ( 0.567 1.981 -7.919) 8.182 7.713 ( -3.887 6.885 -3.777) 8.762 7.916 ( -4.454 0.596 3.964) 5.992 7.984 ( -5.185 -3.726 4.515) 7.820 8.386 ( -5.827 -5.774 0.569) 8.223 8.588 ( 6.258 -9.971 6.481) 13.438 8.794 ( 1.353 5.087 -8.932) 10.368 8.934 ( 1.841 1.598 -7.610) 7.991 9.180 ( 2.066 0.224 10.824) 11.022 9.309 ( 1.850 -1.100 0.203) 2.162 9.583 ( -0.837 -2.953 2.403) 3.898 9.892 ( -2.353 0.408 -3.930) 4.599 9.956 ( -2.379 0.689 0.849) 2.618 10.522 ( -0.012 -0.201 -3.908) 3.914 11.156 ( 12.536 2.931 0.508) 12.884 11.869 ( -4.131 5.607 -7.394) 10.157 12.197 ( 4.817 -2.802 2.197) 5.990 13.029 ( -4.629 -1.535 2.725) 5.586 13.634 ( 5.616 4.900 -9.603) 12.156======================= Grid point 332 (151/355) =======================q-point: (-0.33 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.386 ( -16.732 18.668 0.118) 25.070 1.467 ( 2.460 24.494 18.422) 30.747 2.048 ( -15.092 -4.315 9.894) 18.554 2.520 ( -9.627 -6.162 7.434) 13.635 2.615 ( -5.830 -7.523 -8.752) 12.929 2.703 ( -22.875 3.866 20.546) 30.989 3.132 ( 3.528 5.638 0.297) 6.658 3.523 ( 1.447 -10.219 -3.279) 10.829 3.708 ( -3.231 0.894 -6.184) 7.034 3.853 ( -4.667 -0.389 -7.077) 8.487 4.209 ( -18.141 -1.152 1.563) 18.245 4.459 ( 3.051 -0.981 1.451) 3.518 4.761 ( -3.278 1.930 4.611) 5.977 4.866 ( -5.208 1.843 -2.592) 6.103 5.176 ( 7.875 1.590 -4.987) 9.456 5.529 ( 10.208 2.108 0.730) 10.449 5.633 ( -0.294 -1.068 2.776) 2.989 6.208 ( 10.535 1.053 2.159) 10.805 6.637 ( 5.840 1.083 -5.218) 7.906 6.881 ( 1.047 -0.214 0.684) 1.268 7.022 ( -4.634 -1.236 4.722) 6.730 7.201 ( -1.371 -5.651 8.363) 10.186 7.304 ( -5.418 -3.044 4.451) 7.644 7.575 ( -5.148 6.987 -6.472) 10.826 7.651 ( 2.747 0.527 -3.824) 4.738 7.779 ( -7.787 3.249 2.612) 8.832 7.941 ( -5.940 -13.597 4.126) 15.401 8.303 ( -5.728 -7.199 -1.397) 9.306 8.672 ( -4.395 2.364 -5.948) 7.764 8.749 ( 1.811 -2.655 1.117) 3.402 8.988 ( 5.604 3.074 -0.840) 6.446 9.225 ( 3.195 3.865 6.845) 8.485 9.469 ( 7.638 -1.223 7.988) 11.120 9.611 ( 3.412 -9.343 -0.090) 9.947 9.834 ( -3.337 0.294 -3.239) 4.660 9.923 ( 0.038 -0.628 -0.525) 0.819 10.511 ( -1.830 -3.263 -3.982) 5.464 11.383 ( 14.124 9.243 4.608) 17.497 11.732 ( -6.296 6.180 -7.550) 11.612 12.292 ( 2.652 -5.020 3.291) 6.562 12.932 ( -6.848 -2.621 3.790) 8.254 13.725 ( 8.903 10.118 -15.819) 20.781======================= Grid point 333 (152/355) =======================q-point: (-0.25 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -6.753 17.099 10.401) 21.123 1.421 ( 1.053 18.815 22.907) 29.662 1.842 ( -9.068 -3.784 18.250) 20.727 2.211 ( -20.389 1.981 25.000) 32.321 2.413 ( -5.638 -5.846 3.062) 8.680 2.636 ( 1.049 -2.283 -4.826) 5.441 3.139 ( 0.183 7.877 -4.922) 9.290 3.544 ( -9.178 -0.857 -7.640) 11.973 3.612 ( -0.047 -9.157 1.204) 9.236 3.672 ( -10.663 -2.491 -8.978) 14.159 4.095 ( 1.997 -1.796 1.047) 2.883 4.541 ( 3.237 3.652 -0.305) 4.889 4.648 ( -3.040 3.822 5.060) 7.033 4.850 ( 1.945 0.919 -3.466) 4.080 5.290 ( 6.646 5.615 -1.376) 8.809 5.659 ( 3.747 -2.226 2.804) 5.182 5.727 ( 9.273 2.286 1.115) 9.615 6.351 ( 4.081 -0.650 2.269) 4.714 6.698 ( 2.247 0.782 -3.048) 3.867 6.895 ( -1.129 3.794 -1.766) 4.334 6.957 ( -1.717 -4.874 -1.143) 5.292 7.112 ( -8.650 -1.940 -1.415) 8.977 7.236 ( -6.999 -6.564 5.307) 10.965 7.407 ( -10.935 3.262 -8.056) 13.968 7.583 ( -9.157 4.009 0.894) 10.036 7.707 ( 1.315 -7.750 4.128) 8.879 7.956 ( 0.859 -11.860 7.794) 14.218 8.267 ( -1.261 -4.958 -1.446) 5.316 8.594 ( 0.562 5.654 -2.911) 6.384 8.760 ( -2.896 -3.577 0.394) 4.619 9.011 ( -3.663 -0.429 -1.387) 3.940 9.338 ( 11.255 10.246 5.293) 16.115 9.499 ( -3.135 -4.758 4.003) 6.964 9.763 ( -1.763 -1.412 0.049) 2.259 9.848 ( 10.736 -6.213 1.546) 12.500 9.990 ( 6.244 -3.204 2.639) 7.498 10.477 ( -3.974 -6.875 -4.007) 8.895 11.517 ( -1.781 16.684 -2.872) 17.022 11.636 ( 7.415 1.597 1.862) 7.810 12.350 ( -0.157 -7.022 3.983) 8.074 12.826 ( -5.605 -3.492 6.201) 9.059 13.811 ( 8.300 16.454 -22.851) 29.357======================= Grid point 334 (153/355) =======================q-point: (-0.17 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 7.830 9.223 21.116) 24.337 1.272 ( -11.116 4.659 27.510) 30.035 1.867 ( 12.248 8.679 26.320) 30.300 2.030 ( -0.770 -2.046 21.495) 21.606 2.401 ( 1.996 0.616 7.262) 7.557 2.672 ( 0.668 -5.121 -5.125) 7.275 3.049 ( -4.083 6.448 -9.803) 12.423 3.417 ( -7.310 0.872 -8.245) 11.053 3.458 ( -3.034 -3.637 -12.825) 13.672 3.748 ( 4.841 -6.934 3.250) 9.060 4.156 ( 1.698 -2.555 -0.272) 3.080 4.463 ( -5.282 3.346 -1.225) 6.371 4.690 ( 5.099 6.544 2.462) 8.654 4.880 ( 2.625 1.842 -3.803) 4.975 5.414 ( 10.010 3.987 4.438) 11.653 5.760 ( 5.077 -2.514 -0.337) 5.676 5.854 ( 4.599 2.730 3.243) 6.254 6.376 ( -2.305 -2.322 2.913) 4.381 6.715 ( -1.488 -0.253 -0.245) 1.529 6.746 ( -13.133 0.507 -4.198) 13.797 6.938 ( -6.980 0.950 -9.924) 12.170 6.984 ( -4.186 -2.357 1.191) 4.949 7.042 ( -9.023 -1.565 0.210) 9.160 7.262 ( -1.818 -1.858 3.518) 4.375 7.413 ( -5.710 2.610 0.402) 6.291 7.842 ( 7.209 -7.406 5.026) 11.493 8.057 ( 3.038 -4.719 6.808) 8.823 8.290 ( 0.187 -7.171 1.045) 7.249 8.635 ( 4.621 0.545 -0.364) 4.667 8.710 ( -2.444 -1.971 -0.750) 3.228 8.900 ( -6.297 0.019 -0.821) 6.350 9.401 ( -1.492 6.123 -2.701) 6.856 9.458 ( -4.063 -3.315 0.664) 5.286 9.793 ( 3.174 -0.622 1.368) 3.512 10.037 ( 6.627 -2.927 2.243) 7.584 10.197 ( 12.938 -0.532 5.702) 14.149 10.442 ( -4.641 -13.796 -1.625) 14.646 11.336 ( -5.905 10.430 -7.907) 14.359 11.815 ( 10.410 5.380 7.000) 13.650 12.361 ( -2.911 -5.850 1.334) 6.669 12.801 ( 0.350 -5.822 8.209) 10.070 13.785 ( 1.004 21.612 -24.865) 32.960======================= Grid point 335 (154/355) =======================q-point: (-0.08 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( 0.286 0.592 24.508) 24.517 1.265 ( 12.021 8.595 23.362) 27.643 2.081 ( 2.729 -11.837 14.088) 18.602 2.288 ( 27.512 11.429 30.446) 42.597 2.508 ( 11.636 8.161 13.950) 19.915 2.684 ( -1.809 -5.993 -5.323) 8.217 2.926 ( -4.318 7.321 -10.049) 13.161 3.295 ( -3.978 -4.963 -15.631) 16.875 3.469 ( 1.295 0.265 -14.673) 14.732 3.915 ( 11.634 -2.449 4.826) 12.832 4.162 ( -2.527 -2.154 -2.354) 4.070 4.376 ( -1.086 1.135 -2.399) 2.868 4.736 ( 3.459 5.006 5.374) 8.118 4.959 ( 6.604 -0.340 -3.700) 7.577 5.599 ( 6.926 -2.158 4.529) 8.552 5.854 ( 1.992 -1.063 1.188) 2.551 5.885 ( 1.748 2.157 2.894) 4.010 6.271 ( -10.332 -4.362 0.490) 11.226 6.470 ( -10.166 6.190 3.780) 12.489 6.621 ( -9.744 0.786 -6.008) 11.475 6.784 ( -1.381 0.477 -0.869) 1.700 6.924 ( -2.685 -1.321 -3.048) 4.272 7.020 ( 0.323 0.569 -1.657) 1.781 7.273 ( -0.097 -3.025 1.371) 3.323 7.354 ( 0.164 1.382 4.160) 4.387 8.032 ( 8.910 -3.164 5.217) 10.799 8.095 ( -0.412 1.141 5.148) 5.289 8.336 ( -1.297 -9.905 1.739) 10.140 8.676 ( 0.831 -0.827 -3.140) 3.351 8.748 ( 3.045 -3.261 1.749) 4.792 8.853 ( 2.425 -0.990 2.998) 3.981 9.289 ( -6.315 2.738 -7.169) 9.938 9.363 ( -6.449 -0.978 -0.981) 6.596 9.795 ( -2.857 0.850 0.930) 3.122 10.148 ( 3.564 -1.749 3.467) 5.271 10.368 ( 0.585 -0.687 -5.376) 5.452 10.457 ( 0.240 -7.553 4.798) 8.952 11.245 ( 1.959 1.408 -7.460) 7.840 11.963 ( 5.697 0.823 6.685) 8.822 12.287 ( -5.883 1.425 -3.270) 6.880 12.906 ( 5.098 -7.594 5.592) 10.721 13.614 ( -3.614 19.883 -16.413) 26.034======================= Grid point 339 (155/355) =======================q-point: ( 0.25 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( -2.283 0.000 1.517) 2.741 2.002 ( 7.939 -0.000 -0.127) 7.940 2.230 ( -3.935 0.000 2.131) 4.474 2.444 ( 3.904 -0.000 6.483) 7.568 3.009 ( 8.626 -0.000 -4.975) 9.958 3.142 ( 7.734 -0.000 1.699) 7.918 3.465 ( -3.620 0.000 11.620) 12.171 3.574 ( -0.962 0.000 -16.142) 16.170 4.114 ( -15.965 0.000 -19.430) 25.148 4.325 ( -0.659 0.000 -0.396) 0.769 4.483 ( -4.976 0.000 10.458) 11.581 4.561 ( 5.122 -0.000 1.904) 5.465 4.890 ( 5.104 -0.000 6.034) 7.903 5.197 ( -3.316 0.000 -1.305) 3.564 5.538 ( 0.322 -0.000 -6.075) 6.083 5.624 ( -4.607 0.000 -1.597) 4.876 5.754 ( -12.417 0.000 -9.262) 15.491 5.820 ( 1.646 -0.000 3.982) 4.308 6.168 ( -1.068 0.000 -4.421) 4.548 6.203 ( 10.598 -0.000 1.836) 10.756 7.082 ( 1.870 -0.000 9.440) 9.624 7.116 ( 1.386 -0.000 13.704) 13.774 7.352 ( 0.382 -0.000 10.678) 10.685 7.498 ( 4.921 -0.000 -0.344) 4.933 7.898 ( 10.904 -0.000 12.470) 16.565 7.946 ( -1.303 0.000 -6.751) 6.875 8.173 ( -3.075 0.000 -0.845) 3.188 8.265 ( -3.868 0.000 1.807) 4.270 8.501 ( 0.316 -0.000 -1.322) 1.360 8.692 ( -2.820 0.000 -2.462) 3.744 8.933 ( -3.663 0.000 3.584) 5.125 8.999 ( 1.986 -0.000 1.531) 2.508 9.614 ( 2.278 -0.000 -3.133) 3.874 9.800 ( -6.337 0.000 2.101) 6.676 9.887 ( 3.441 -0.000 -1.063) 3.601 10.043 ( -2.837 0.000 0.209) 2.845 10.327 ( 11.731 -0.000 -2.112) 11.919 10.965 ( -12.164 0.000 -14.263) 18.745 11.896 ( 5.114 -0.000 1.950) 5.473 12.096 ( -2.578 0.000 -3.884) 4.661 13.092 ( 0.192 -0.000 3.705) 3.710 13.552 ( 0.586 -0.000 -3.248) 3.300======================= Grid point 340 (156/355) =======================q-point: (-0.67 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -1.160 7.797 5.485) 9.603 2.117 ( -0.090 -3.170 2.605) 4.104 2.232 ( 6.888 -0.996 1.492) 7.118 2.543 ( 4.876 -0.721 4.054) 6.382 3.048 ( -3.748 3.830 -5.995) 8.041 3.289 ( 5.601 -3.638 -0.474) 6.696 3.351 ( -8.992 0.113 12.702) 15.563 3.498 ( -3.456 1.612 -11.127) 11.762 3.788 ( -15.751 -3.427 -19.362) 25.194 4.301 ( -6.361 0.180 10.273) 12.084 4.459 ( 5.246 0.035 -0.870) 5.317 4.568 ( -3.415 0.123 -0.429) 3.444 4.970 ( 2.998 0.443 4.132) 5.124 5.253 ( 3.669 1.061 3.166) 4.960 5.468 ( -3.682 0.601 -6.966) 7.902 5.481 ( -8.633 0.347 -4.802) 9.885 5.530 ( -10.094 -0.295 -3.500) 10.688 5.832 ( -0.854 -0.297 4.684) 4.770 6.191 ( 3.909 -1.083 -5.149) 6.555 6.436 ( 12.510 -1.486 2.023) 12.759 7.087 ( -2.576 1.904 13.651) 14.022 7.124 ( 0.028 -1.834 9.653) 9.826 7.390 ( 1.901 -0.685 8.117) 8.365 7.612 ( 6.955 0.141 1.516) 7.120 7.860 ( -6.113 2.332 -10.910) 12.722 8.097 ( 7.290 2.102 14.591) 16.446 8.135 ( -1.931 1.684 3.670) 4.476 8.193 ( -2.946 -6.031 -4.510) 8.087 8.488 ( -2.204 -0.753 -1.072) 2.564 8.677 ( 3.307 2.481 -5.608) 6.967 8.878 ( -1.254 1.564 0.459) 2.057 9.065 ( 2.463 -3.684 7.313) 8.551 9.610 ( -3.896 5.318 -1.123) 6.688 9.656 ( -5.894 -3.243 -1.941) 7.001 9.962 ( 2.501 0.224 2.160) 3.313 9.988 ( -2.623 -0.919 -1.141) 3.005 10.554 ( 12.320 7.969 -2.121) 14.825 10.768 ( -7.366 -8.682 -11.492) 16.178 11.987 ( 4.562 0.760 2.772) 5.392 12.049 ( -1.858 0.315 -6.847) 7.102 13.097 ( -0.241 0.081 3.335) 3.344 13.563 ( 1.193 0.097 -3.869) 4.050======================= Grid point 341 (157/355) =======================q-point: (-0.58 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.861 ( -1.444 15.610 9.014) 18.083 2.096 ( -4.105 -2.751 4.602) 6.752 2.388 ( 5.521 -0.793 0.022) 5.578 2.582 ( -2.377 0.168 5.518) 6.011 2.871 ( -8.598 5.520 -6.759) 12.251 3.155 ( -13.777 -4.356 4.269) 15.067 3.361 ( -0.070 -5.750 -4.046) 7.031 3.415 ( -6.190 -0.070 0.350) 6.200 3.606 ( -0.995 -1.110 -13.313) 13.397 4.138 ( -10.141 -0.975 9.142) 13.688 4.475 ( -4.000 1.266 -1.879) 4.597 4.626 ( 8.787 -1.034 -1.170) 8.925 5.000 ( -0.624 1.004 -1.342) 1.788 5.071 ( -17.670 -0.906 0.591) 17.703 5.302 ( -10.684 2.883 4.071) 11.791 5.355 ( -2.510 0.833 -8.428) 8.833 5.595 ( 7.236 -2.108 1.706) 7.727 5.832 ( 3.259 0.946 3.519) 4.889 6.316 ( 8.888 -0.530 -5.027) 10.225 6.666 ( 9.591 -3.038 3.758) 10.739 7.046 ( -1.999 -0.723 15.293) 15.440 7.141 ( 0.151 -0.156 6.814) 6.817 7.417 ( -0.553 -0.833 5.640) 5.728 7.712 ( -5.586 2.551 -12.120) 13.587 7.745 ( 6.292 1.283 1.956) 6.713 8.034 ( -5.710 3.557 1.149) 6.825 8.093 ( -4.256 1.301 4.100) 6.051 8.314 ( 5.545 -8.126 6.519) 11.802 8.419 ( -5.022 -2.921 0.275) 5.816 8.773 ( 7.722 3.801 -8.654) 12.205 8.881 ( 2.484 0.325 -2.063) 3.245 9.130 ( 1.852 -2.525 9.750) 10.240 9.423 ( -10.485 0.504 -5.704) 11.946 9.604 ( -2.437 1.324 4.022) 4.885 9.941 ( -2.021 0.013 -3.096) 3.698 9.989 ( -0.381 -0.174 2.127) 2.168 10.568 ( -1.998 4.224 -7.035) 8.445 10.899 ( 12.888 -4.622 -0.993) 13.728 11.998 ( -1.639 2.904 -7.572) 8.274 12.077 ( 4.166 -1.164 1.961) 4.749 13.079 ( -2.150 -0.188 2.801) 3.536 13.597 ( 3.338 0.956 -6.028) 6.956======================= Grid point 342 (158/355) =======================q-point: (-0.50 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -1.820 16.879 12.692) 21.197 1.943 ( -10.423 10.897 1.822) 15.189 2.315 ( -12.202 1.891 1.103) 12.397 2.552 ( -1.888 -2.303 7.509) 8.078 2.675 ( -11.945 -2.291 -4.664) 13.026 2.983 ( -6.550 -9.680 3.300) 12.145 3.208 ( -14.177 -0.216 5.544) 15.224 3.402 ( 2.174 -2.966 -4.185) 5.571 3.676 ( 6.874 2.074 -9.730) 12.093 3.976 ( -8.173 -0.725 3.560) 8.944 4.411 ( -1.551 -0.238 -0.821) 1.771 4.636 ( -23.818 -0.552 1.140) 23.852 4.756 ( 1.765 -1.525 -0.648) 2.421 5.039 ( 4.728 -0.452 -5.973) 7.632 5.086 ( -10.384 2.720 4.576) 11.669 5.392 ( 6.805 1.825 -3.262) 7.764 5.634 ( -2.211 -2.564 5.293) 6.283 6.005 ( 12.686 2.004 2.362) 13.058 6.500 ( 10.487 0.899 -5.166) 11.725 6.814 ( 3.668 -3.255 4.549) 6.689 7.045 ( -1.019 -2.166 14.090) 14.292 7.142 ( -0.588 -0.334 6.530) 6.565 7.381 ( -4.059 -0.478 3.238) 5.214 7.631 ( -0.345 0.900 -9.895) 9.942 7.797 ( -0.336 8.290 -4.509) 9.443 7.917 ( -4.574 0.494 4.428) 6.386 7.966 ( -8.793 0.040 2.457) 9.130 8.287 ( -8.777 -13.114 -3.708) 16.210 8.511 ( 7.147 -4.384 9.796) 12.894 8.847 ( 2.179 4.869 -12.125) 13.247 8.945 ( 3.147 0.325 -6.866) 7.560 9.184 ( 2.646 0.195 12.265) 12.548 9.305 ( 1.704 0.332 2.110) 2.733 9.551 ( -3.848 -3.030 3.632) 6.097 9.895 ( -2.503 0.246 -4.269) 4.955 9.961 ( -2.392 0.394 0.688) 2.520 10.520 ( -1.457 -0.047 -6.041) 6.215 11.180 ( 15.253 1.691 4.078) 15.879 11.928 ( -2.924 5.519 -8.549) 10.587 12.164 ( 3.346 -3.417 3.001) 5.646 13.017 ( -4.913 -0.810 2.729) 5.678 13.677 ( 7.236 3.234 -10.717) 13.329======================= Grid point 343 (159/355) =======================q-point: (-0.42 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -13.258 16.138 4.510) 21.367 1.718 ( -1.364 20.874 12.855) 24.553 2.026 ( -15.747 0.818 7.460) 17.444 2.405 ( -13.195 -13.945 1.211) 19.236 2.584 ( -5.216 -0.081 0.632) 5.255 2.735 ( -18.088 1.811 18.903) 26.226 3.158 ( 5.246 -1.902 1.444) 5.764 3.441 ( 0.459 -3.999 -7.134) 8.191 3.720 ( -3.941 1.476 -7.310) 8.434 3.842 ( -6.105 -1.683 -5.431) 8.342 4.201 ( -18.008 -0.478 2.494) 18.187 4.451 ( 5.174 -0.461 0.462) 5.215 4.771 ( -0.636 0.213 1.992) 2.102 4.887 ( -7.885 1.943 1.309) 8.226 5.191 ( 9.672 1.197 -2.816) 10.145 5.549 ( 9.759 1.706 0.184) 9.909 5.616 ( -0.351 -2.049 3.853) 4.378 6.220 ( 9.890 1.144 1.730) 10.105 6.658 ( 6.684 2.884 -4.032) 8.321 6.865 ( 1.144 -2.771 2.036) 3.623 7.022 ( -3.515 0.700 7.285) 8.119 7.147 ( -1.137 -4.095 8.083) 9.132 7.281 ( -6.968 -1.576 2.367) 7.526 7.627 ( -3.374 1.543 -6.920) 7.852 7.676 ( -3.991 5.401 -4.677) 8.184 7.799 ( -7.927 -2.245 5.578) 9.950 7.837 ( -5.782 -3.187 -1.224) 6.715 8.210 ( -4.895 -10.742 -3.797) 12.400 8.645 ( 2.678 -4.735 5.107) 7.462 8.778 ( -2.877 5.685 -9.353) 11.317 9.008 ( 3.800 1.154 -2.335) 4.607 9.263 ( 6.322 3.348 9.016) 11.509 9.457 ( 6.503 -1.014 9.065) 11.202 9.521 ( 1.807 -7.914 1.152) 8.199 9.838 ( -2.929 0.368 -3.951) 4.932 9.915 ( -1.670 -0.937 -1.125) 2.221 10.488 ( -2.131 -1.310 -5.535) 6.074 11.452 ( 14.380 4.447 6.813) 16.522 11.809 ( -5.081 8.245 -7.417) 12.198 12.236 ( 1.185 -5.744 4.540) 7.417 12.913 ( -6.610 -1.117 3.684) 7.650 13.814 ( 10.950 6.999 -17.892) 22.113======================= Grid point 344 (160/355) =======================q-point: (-0.33 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( -7.741 19.547 6.571) 22.027 1.568 ( -10.462 7.830 20.854) 24.610 1.837 ( -2.829 3.867 14.517) 15.288 2.239 ( -16.657 0.843 23.478) 28.799 2.315 ( -5.744 -9.784 -0.828) 11.376 2.654 ( 1.779 5.237 3.582) 6.590 3.222 ( 0.399 7.371 -3.901) 8.350 3.492 ( 2.031 -12.666 -0.501) 12.838 3.540 ( -9.675 0.029 -8.343) 12.775 3.656 ( -12.369 -1.542 -8.897) 15.315 4.079 ( 1.225 -1.387 2.405) 3.035 4.579 ( 5.647 3.618 -0.650) 6.738 4.680 ( -4.174 2.292 5.651) 7.390 4.852 ( 2.181 -0.537 -2.714) 3.523 5.346 ( 8.019 4.969 -0.091) 9.434 5.634 ( 2.740 -2.439 3.566) 5.116 5.751 ( 10.154 2.223 -0.016) 10.394 6.347 ( 3.188 -0.104 1.353) 3.465 6.713 ( 1.755 1.968 -0.625) 2.710 6.905 ( -2.468 -4.918 -1.062) 5.604 6.939 ( -0.875 4.532 -0.848) 4.693 7.092 ( -7.691 -2.011 -0.169) 7.952 7.170 ( -6.959 -5.900 5.238) 10.520 7.423 ( -14.869 -1.052 -5.191) 15.785 7.596 ( -4.192 -2.395 0.203) 4.832 7.655 ( -5.404 0.228 5.585) 7.775 7.873 ( 5.379 -4.587 1.312) 7.190 8.212 ( 0.371 -5.817 -2.932) 6.525 8.654 ( -0.122 4.857 -2.290) 5.371 8.718 ( -3.288 -3.101 0.718) 4.576 9.014 ( -3.021 0.772 -2.227) 3.831 9.415 ( 7.511 2.031 3.144) 8.392 9.450 ( -0.933 -1.728 6.158) 6.464 9.735 ( 3.744 -4.108 4.839) 7.370 9.804 ( 6.206 -1.901 -1.810) 6.738 9.949 ( 4.380 -4.321 1.811) 6.414 10.436 ( -3.678 -1.798 -6.091) 7.339 11.610 ( -5.901 1.821 -7.068) 9.386 11.713 ( 10.786 13.055 8.159) 18.797 12.275 ( -0.934 -7.369 6.564) 9.913 12.806 ( -5.020 -0.826 5.401) 7.420 13.955 ( 9.838 11.253 -25.516) 29.572======================= Grid point 345 (161/355) =======================q-point: (-0.25 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.151 ( 5.436 14.962 16.073) 22.622 1.320 ( -11.569 4.567 25.960) 28.785 1.834 ( -0.196 -8.427 16.947) 18.927 2.138 ( 9.040 13.527 25.523) 30.268 2.359 ( 4.436 -6.687 2.604) 8.437 2.669 ( 2.193 5.175 3.906) 6.844 3.113 ( -5.241 5.549 -11.009) 13.396 3.427 ( -3.321 -2.100 -11.107) 11.781 3.431 ( -7.175 1.616 -8.304) 11.093 3.661 ( 7.100 -9.768 3.582) 12.596 4.129 ( 1.321 -2.464 1.020) 2.976 4.495 ( -6.261 2.760 -0.907) 6.902 4.746 ( 5.648 4.245 2.231) 7.410 4.894 ( 2.190 0.711 -2.772) 3.603 5.459 ( 7.402 4.556 3.247) 9.279 5.732 ( 5.509 -2.695 0.071) 6.133 5.886 ( 4.795 3.400 2.020) 6.215 6.350 ( -3.420 -2.581 1.815) 4.654 6.703 ( -6.619 -2.042 4.215) 8.108 6.760 ( -7.686 2.102 -6.339) 10.182 6.945 ( -3.450 0.088 -7.524) 8.278 6.960 ( -4.987 -1.983 1.179) 5.494 7.022 ( -7.691 -2.206 2.296) 8.324 7.250 ( -2.173 -0.344 0.562) 2.271 7.439 ( -6.926 2.419 1.374) 7.464 7.751 ( 7.245 -9.408 5.872) 13.247 8.010 ( 5.772 -3.720 3.988) 7.941 8.249 ( 0.787 -1.848 -0.438) 2.056 8.646 ( 0.678 1.122 -2.286) 2.635 8.673 ( -2.020 -4.373 1.349) 5.002 8.910 ( -5.596 1.714 -1.407) 6.020 9.401 ( -3.502 -4.475 2.674) 6.280 9.473 ( -3.613 4.617 -4.114) 7.162 9.785 ( 3.911 -0.841 1.655) 4.329 10.004 ( 7.466 -3.411 2.373) 8.545 10.138 ( 10.445 -9.928 9.744) 17.396 10.374 ( -1.761 -0.229 -7.147) 7.364 11.417 ( -8.870 5.438 -8.106) 13.189 11.882 ( 9.320 7.479 9.118) 15.031 12.299 ( -0.835 -6.006 5.251) 8.022 12.765 ( 0.119 -1.521 6.964) 7.129 13.976 ( 1.374 15.219 -28.677) 32.494======================= Grid point 346 (162/355) =======================q-point: (-0.17 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -0.436 5.064 21.948) 22.529 1.367 ( 13.508 11.042 21.379) 27.595 1.953 ( 3.876 -12.580 14.458) 19.553 2.386 ( 16.305 3.376 18.787) 25.104 2.565 ( 16.810 3.626 11.041) 20.436 2.686 ( 3.184 8.922 8.047) 12.429 2.994 ( -3.471 5.480 -11.672) 13.354 3.254 ( -6.889 -2.745 -16.484) 18.075 3.474 ( 4.019 1.041 -10.377) 11.177 3.879 ( 12.772 -4.642 5.513) 14.665 4.133 ( -2.777 -3.398 -1.424) 4.614 4.386 ( -2.949 0.726 -2.662) 4.038 4.789 ( 1.762 4.750 4.676) 6.894 4.954 ( 5.316 -0.641 -3.740) 6.531 5.572 ( 2.808 -2.871 2.836) 4.916 5.842 ( 3.013 -1.207 -0.216) 3.253 5.913 ( 1.597 2.964 4.214) 5.394 6.228 ( -10.099 -4.014 0.774) 10.895 6.532 ( -6.193 5.527 5.144) 9.765 6.631 ( -9.553 1.064 -5.617) 11.133 6.792 ( -3.333 1.103 -1.723) 3.910 6.915 ( -1.425 -0.247 -2.186) 2.621 7.018 ( 0.786 -1.066 -0.707) 1.502 7.245 ( -0.472 -2.228 -0.773) 2.405 7.367 ( -0.251 1.332 4.590) 4.786 7.971 ( 9.369 -8.764 4.353) 13.547 8.105 ( 2.206 0.574 4.203) 4.781 8.258 ( -0.749 -3.920 1.950) 4.442 8.657 ( 1.342 -3.508 -3.586) 5.193 8.706 ( 1.505 -3.784 1.327) 4.283 8.850 ( 0.908 0.242 3.303) 3.434 9.314 ( -8.775 1.727 -6.712) 11.182 9.353 ( -3.966 -0.788 0.217) 4.049 9.803 ( -2.333 0.558 0.178) 2.405 10.126 ( 3.811 -2.422 3.244) 5.561 10.285 ( -3.986 -12.056 1.225) 12.757 10.451 ( 10.063 3.766 0.196) 10.746 11.256 ( -3.979 0.627 -7.693) 8.684 11.979 ( 2.024 2.163 6.880) 7.491 12.301 ( -0.442 1.309 0.585) 1.500 12.846 ( 5.672 -3.897 6.276) 9.314 13.809 ( -6.190 17.069 -22.062) 28.573======================= Grid point 347 (163/355) =======================q-point: (-0.08 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.241 ( 12.371 1.095 12.400) 17.550 1.604 ( 15.262 11.032 19.994) 27.466 2.087 ( 2.976 -9.372 10.705) 14.536 2.592 ( -0.341 -3.195 3.458) 4.720 2.696 ( 3.247 7.786 4.476) 9.550 2.865 ( 3.034 4.022 -0.845) 5.108 3.053 ( 26.094 9.576 19.527) 33.969 3.222 ( 3.912 -5.156 -15.508) 16.805 3.483 ( -0.577 4.396 -13.278) 13.999 4.059 ( -5.334 -3.059 -3.575) 7.113 4.244 ( 22.549 -2.801 5.052) 23.277 4.401 ( 3.908 -1.858 -4.155) 5.999 4.812 ( 2.292 1.775 8.183) 8.681 5.086 ( 7.564 -2.282 -4.373) 9.030 5.523 ( -11.075 -6.421 -2.131) 12.978 5.823 ( -2.482 -1.685 8.936) 9.426 5.943 ( -0.412 1.191 -8.662) 8.754 6.118 ( -5.486 0.656 -0.108) 5.526 6.376 ( -1.945 4.083 -0.413) 4.542 6.478 ( -5.268 4.486 2.163) 7.250 6.791 ( -2.323 -2.477 -0.626) 3.453 6.897 ( 3.151 2.036 2.359) 4.432 7.030 ( 0.730 0.873 -1.416) 1.817 7.250 ( -0.368 -3.127 2.202) 3.842 7.390 ( 1.930 -0.131 3.184) 3.726 8.097 ( -0.582 3.297 4.704) 5.774 8.171 ( 5.341 -6.932 4.628) 9.899 8.276 ( 1.219 -2.592 3.609) 4.608 8.701 ( 1.798 -0.103 -3.211) 3.681 8.784 ( 2.056 -5.149 2.659) 6.149 8.903 ( 2.196 -3.657 5.059) 6.617 9.146 ( -6.258 -1.776 -8.277) 10.528 9.287 ( -1.737 2.599 -2.426) 3.957 9.726 ( -4.577 1.171 -0.597) 4.762 10.178 ( -0.381 -1.712 5.316) 5.598 10.227 ( -5.874 -6.180 -2.705) 8.945 10.507 ( -1.211 7.538 -2.364) 7.993 11.294 ( 5.634 -8.190 -4.083) 10.747 11.924 ( -7.911 -2.043 -1.539) 8.314 12.284 ( 1.294 8.552 1.342) 8.753 12.985 ( 5.223 -3.855 3.226) 7.249 13.604 ( -4.288 12.370 -11.804) 17.627======================= Grid point 352 (164/355) =======================q-point: (-0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.437 -0.000 8.478) 8.489 2.041 ( -4.490 0.000 7.046) 8.355 2.385 ( 5.789 -0.000 -0.380) 5.801 2.586 ( -1.730 0.000 6.944) 7.156 2.909 ( -8.393 0.000 -8.721) 12.104 3.122 ( -18.002 0.000 0.531) 18.009 3.329 ( 1.098 -0.000 -0.976) 1.469 3.415 ( -6.738 0.000 -1.016) 6.814 3.602 ( 1.089 -0.000 -12.705) 12.752 4.133 ( -10.182 0.000 9.577) 13.979 4.481 ( -4.668 0.000 -2.200) 5.160 4.621 ( 9.285 -0.000 -1.158) 9.357 5.006 ( 0.269 -0.000 -1.869) 1.888 5.066 ( -19.437 0.000 1.337) 19.483 5.319 ( -10.883 0.000 4.754) 11.876 5.360 ( -2.429 0.000 -8.379) 8.724 5.581 ( 7.053 -0.000 1.751) 7.267 5.837 ( 3.991 -0.000 3.578) 5.360 6.313 ( 9.246 -0.000 -4.771) 10.404 6.650 ( 9.630 -0.000 3.596) 10.280 7.042 ( -2.563 0.000 16.378) 16.577 7.141 ( 0.473 -0.000 5.877) 5.896 7.413 ( -0.378 0.000 5.591) 5.604 7.726 ( -6.414 0.000 -12.539) 14.084 7.752 ( 7.093 -0.000 2.360) 7.475 8.052 ( -6.003 0.000 3.015) 6.718 8.109 ( -2.606 0.000 -1.813) 3.175 8.258 ( 1.636 -0.000 7.641) 7.814 8.406 ( -3.051 0.000 2.239) 3.784 8.795 ( 7.990 -0.000 -8.875) 11.942 8.880 ( 1.776 -0.000 -3.915) 4.299 9.117 ( 2.610 -0.000 11.760) 12.046 9.426 ( -10.268 0.000 -5.445) 11.622 9.611 ( -3.544 0.000 4.222) 5.512 9.941 ( -1.855 0.000 -3.176) 3.678 9.988 ( -0.175 0.000 2.263) 2.269 10.593 ( -5.148 0.000 -9.315) 10.643 10.873 ( 16.442 -0.000 1.511) 16.511 12.015 ( -1.126 0.000 -9.730) 9.795 12.068 ( 3.575 -0.000 3.887) 5.281 13.078 ( -2.262 0.000 2.784) 3.587 13.602 ( 3.632 -0.000 -6.156) 7.147======================= Grid point 354 (165/355) =======================q-point: (-0.58 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -3.971 11.591 10.317) 16.018 1.987 ( -6.251 -2.588 8.191) 10.624 2.350 ( -8.596 3.261 -4.032) 10.039 2.521 ( -7.781 -2.311 14.503) 16.620 2.700 ( -14.497 5.869 -8.175) 17.647 2.862 ( -3.887 -11.310 -2.005) 12.126 3.206 ( -14.479 -0.096 6.198) 15.750 3.390 ( 4.355 -0.130 -2.905) 5.237 3.692 ( 6.825 0.852 -10.427) 12.491 3.970 ( -8.060 -0.369 4.347) 9.165 4.409 ( -1.956 -0.102 -1.200) 2.297 4.634 ( -24.869 -0.008 1.272) 24.902 4.744 ( 2.587 -0.612 -0.729) 2.757 5.035 ( 5.492 -0.232 -5.437) 7.732 5.107 ( -11.173 1.097 5.727) 12.603 5.406 ( 6.714 0.709 -3.581) 7.642 5.613 ( -1.931 -1.270 6.228) 6.643 6.020 ( 12.291 0.791 2.373) 12.543 6.509 ( 11.355 0.558 -4.678) 12.293 6.789 ( 4.054 -1.380 4.457) 6.181 7.027 ( -1.274 -1.027 16.357) 16.438 7.144 ( -0.606 0.286 4.992) 5.037 7.377 ( -4.003 -0.248 2.907) 4.953 7.637 ( -1.102 0.293 -10.999) 11.058 7.850 ( 2.242 1.607 -0.323) 2.777 7.944 ( -5.338 2.300 3.888) 6.993 7.994 ( -9.211 7.528 -2.852) 12.233 8.140 ( -10.430 -13.648 -4.533) 17.765 8.486 ( 6.283 -0.920 10.941) 12.650 8.889 ( 2.072 2.696 -15.835) 16.196 8.941 ( 4.065 -0.774 -4.957) 6.457 9.184 ( 3.611 -0.113 12.122) 12.649 9.312 ( 1.163 0.584 4.366) 4.555 9.527 ( -5.587 -1.395 4.177) 7.114 9.897 ( -2.641 0.080 -4.364) 5.102 9.964 ( -2.377 0.122 0.571) 2.448 10.520 ( -2.121 -0.002 -7.090) 7.401 11.192 ( 16.511 0.540 5.821) 17.515 11.974 ( -1.838 2.865 -10.548) 11.084 12.132 ( 2.188 -2.091 4.870) 5.734 13.012 ( -4.989 -0.242 2.718) 5.687 13.700 ( 8.030 1.122 -11.272) 13.885======================= Grid point 355 (166/355) =======================q-point: (-0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( -10.418 12.962 6.583) 17.885 1.855 ( -7.913 5.885 15.662) 18.508 2.081 ( -14.320 8.332 -0.247) 16.569 2.263 ( -13.672 -12.062 -1.860) 18.327 2.602 ( -7.820 3.712 7.468) 11.433 2.731 ( -10.163 -3.055 16.753) 19.831 3.103 ( 3.911 -6.320 -0.196) 7.434 3.438 ( 0.691 1.783 -7.089) 7.342 3.736 ( -3.777 1.511 -9.044) 9.917 3.822 ( -7.965 -2.035 -3.550) 8.955 4.198 ( -17.889 -0.085 3.319) 18.195 4.448 ( 6.441 -0.143 -0.210) 6.446 4.769 ( 0.813 -0.323 0.221) 0.902 4.903 ( -9.549 1.149 4.048) 10.435 5.200 ( 10.757 0.635 -1.440) 10.872 5.564 ( 9.229 1.132 -0.392) 9.306 5.595 ( 0.153 -1.828 4.843) 5.179 6.231 ( 9.489 0.772 1.346) 9.615 6.692 ( 7.998 3.265 -3.638) 9.374 6.831 ( -0.101 -3.324 3.218) 4.627 7.024 ( -1.293 -0.481 12.152) 12.230 7.126 ( -1.696 -0.172 4.855) 5.146 7.270 ( -7.595 -0.655 1.096) 7.702 7.633 ( -2.978 0.578 -6.681) 7.338 7.691 ( -14.885 -3.838 0.124) 15.372 7.805 ( -2.510 6.987 -4.407) 8.633 7.848 ( -5.859 2.055 0.908) 6.275 8.088 ( -2.184 -12.219 -5.942) 13.762 8.606 ( 3.812 -2.512 8.411) 9.570 8.833 ( -2.866 4.281 -12.753) 13.754 9.016 ( 3.374 0.402 -2.388) 4.153 9.292 ( 7.686 2.181 9.843) 12.677 9.438 ( -3.941 -3.715 6.208) 8.238 9.462 ( 9.954 -2.143 6.242) 11.943 9.842 ( -2.195 0.304 -4.196) 4.746 9.906 ( -3.294 -0.705 -1.891) 3.863 10.480 ( -2.049 -0.407 -6.268) 6.607 11.482 ( 13.505 1.641 7.152) 15.370 11.891 ( -3.235 6.831 -7.309) 10.514 12.178 ( 0.046 -5.009 6.106) 7.898 12.906 ( -6.292 -0.343 3.560) 7.237 13.868 ( 11.954 3.518 -18.910) 22.647======================= Grid point 356 (167/355) =======================q-point: (-0.42 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -7.226 19.807 4.737) 21.609 1.594 ( -16.047 -0.341 20.835) 26.301 1.895 ( -6.220 3.780 11.040) 13.224 2.144 ( -9.172 -12.629 4.533) 16.254 2.310 ( -7.547 3.389 12.580) 15.056 2.738 ( 4.666 10.566 9.413) 14.900 3.259 ( 5.292 -3.328 2.414) 6.701 3.383 ( -3.815 -5.188 -8.256) 10.470 3.546 ( -10.032 1.217 -7.723) 12.719 3.637 ( -11.513 -2.106 -8.555) 14.497 4.066 ( 0.501 -1.057 3.756) 3.934 4.612 ( 8.376 2.649 -0.476) 8.797 4.697 ( -6.430 1.050 6.217) 9.005 4.842 ( 2.114 -1.181 -2.260) 3.312 5.389 ( 9.273 3.166 0.927) 9.842 5.611 ( 2.246 -1.866 4.355) 5.244 5.772 ( 11.042 1.616 -0.995) 11.204 6.349 ( 2.608 0.489 0.276) 2.668 6.735 ( -0.412 1.923 2.544) 3.215 6.860 ( -0.777 -3.465 -1.921) 4.037 6.985 ( -2.195 3.707 1.429) 4.539 7.071 ( -6.136 -1.861 1.399) 6.563 7.121 ( -8.408 -3.243 2.730) 9.417 7.384 ( -14.059 -5.340 1.500) 15.113 7.580 ( -2.608 -0.129 -4.668) 5.349 7.674 ( -9.395 2.012 4.122) 10.455 7.851 ( 6.239 0.085 -2.578) 6.751 8.147 ( 3.086 -6.532 -4.620) 8.575 8.652 ( -1.169 -3.025 4.643) 5.663 8.741 ( -3.111 5.410 -5.485) 8.309 9.023 ( -2.475 0.852 -2.592) 3.684 9.369 ( -3.365 -5.723 2.965) 7.271 9.483 ( 9.762 3.423 6.838) 12.400 9.692 ( 7.998 -3.555 8.322) 12.077 9.801 ( 0.999 0.906 -3.874) 4.102 9.904 ( 2.983 -4.242 0.348) 5.198 10.428 ( -2.754 -0.039 -6.897) 7.427 11.617 ( -2.635 0.173 -5.165) 5.801 11.843 ( 6.953 11.265 7.210) 15.074 12.200 ( -1.269 -6.991 8.264) 10.898 12.803 ( -4.517 0.094 4.830) 6.614 14.045 ( 10.372 6.349 -26.324) 28.998======================= Grid point 357 (168/355) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.320 ( -1.135 15.356 13.125) 20.233 1.368 ( -4.345 6.399 22.802) 24.079 1.755 ( -5.763 -6.245 18.721) 20.559 2.137 ( 2.218 -13.136 8.421) 15.760 2.373 ( 12.100 8.427 8.100) 16.823 2.776 ( 5.663 15.029 11.942) 20.014 3.159 ( -7.154 3.293 -11.816) 14.200 3.411 ( -6.784 -1.026 -12.305) 14.089 3.451 ( -2.676 1.952 -5.397) 6.333 3.546 ( 8.852 -12.388 3.604) 15.647 4.106 ( 0.800 -1.949 2.659) 3.392 4.518 ( -7.652 1.500 0.394) 7.808 4.781 ( 5.934 2.653 2.325) 6.903 4.893 ( 2.302 -0.864 -1.554) 2.909 5.504 ( 5.049 3.874 1.962) 6.660 5.706 ( 6.085 -2.213 0.406) 6.488 5.923 ( 5.152 3.549 1.121) 6.356 6.324 ( -5.159 -2.461 0.788) 5.770 6.677 ( -7.715 -2.678 6.273) 10.297 6.785 ( -5.165 2.505 -6.129) 8.397 6.933 ( -3.658 -1.617 -2.722) 4.838 6.951 ( -3.283 -0.327 -0.765) 3.387 7.000 ( -6.120 -1.904 2.875) 7.024 7.253 ( -1.973 0.672 -1.465) 2.548 7.464 ( -7.562 2.435 2.483) 8.323 7.660 ( 5.588 -7.728 3.270) 10.082 7.985 ( 6.937 -1.157 1.660) 7.226 8.234 ( 3.272 -1.421 -1.966) 4.073 8.609 ( -4.877 -5.402 0.952) 7.340 8.679 ( -0.174 3.245 -1.104) 3.432 8.927 ( -5.562 1.257 -2.033) 6.054 9.354 ( -1.285 -4.238 2.956) 5.325 9.514 ( -6.027 3.195 -3.831) 7.824 9.777 ( 4.539 -0.822 2.430) 5.214 9.967 ( 8.463 -3.668 3.373) 9.821 10.037 ( 6.433 -8.303 7.443) 12.874 10.392 ( 1.743 2.485 -7.240) 7.850 11.456 ( -9.946 2.367 -8.235) 13.128 11.963 ( 7.062 7.905 10.257) 14.750 12.239 ( 1.480 -5.573 7.669) 9.595 12.760 ( -0.088 0.095 5.803) 5.804 14.101 ( 1.589 9.158 -29.383) 30.818======================= Grid point 358 (169/355) =======================q-point: (-0.25 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.188 ( -1.021 8.425 18.898) 20.716 1.493 ( 14.282 13.311 18.848) 27.137 1.824 ( 3.937 -12.202 15.108) 19.815 2.327 ( 9.063 -11.783 8.598) 17.173 2.627 ( 15.898 6.712 7.287) 18.732 2.838 ( 9.657 18.150 17.957) 27.296 3.041 ( -1.348 4.332 -11.047) 11.942 3.237 ( -8.136 -0.891 -16.950) 18.822 3.495 ( 5.533 3.064 -7.234) 9.609 3.816 ( 14.184 -7.842 6.195) 17.351 4.095 ( -3.549 -3.584 0.566) 5.075 4.388 ( -4.697 -0.400 -2.790) 5.478 4.829 ( 0.786 3.023 5.154) 6.026 4.945 ( 4.015 -1.020 -3.398) 5.357 5.545 ( -0.954 -2.083 0.640) 2.379 5.831 ( 4.238 -0.769 -1.801) 4.669 5.942 ( 0.418 2.455 5.329) 5.883 6.188 ( -9.217 -3.579 1.682) 10.030 6.580 ( -2.087 3.791 6.258) 7.608 6.642 ( -9.651 1.021 -5.649) 11.229 6.809 ( -4.918 2.246 -2.179) 5.829 6.918 ( -0.411 0.764 -1.414) 1.659 6.998 ( 1.195 -2.605 1.090) 3.066 7.226 ( -1.306 -1.544 -3.776) 4.284 7.386 ( -0.209 2.543 5.139) 5.738 7.862 ( 8.747 -11.418 1.623) 14.475 8.109 ( 5.264 0.473 3.747) 6.479 8.252 ( -0.847 1.735 2.140) 2.882 8.596 ( 0.755 -7.404 -1.132) 7.528 8.685 ( 1.337 -0.616 -1.032) 1.797 8.853 ( -1.028 0.007 2.367) 2.581 9.323 ( -11.055 0.203 -6.474) 12.813 9.350 ( -1.041 0.234 1.434) 1.787 9.806 ( -1.913 0.066 -0.171) 1.922 10.100 ( 4.054 -2.568 2.818) 5.565 10.166 ( -0.110 -10.383 4.368) 11.265 10.495 ( 9.838 4.185 -1.416) 10.784 11.258 ( -8.138 -0.109 -7.815) 11.283 12.005 ( -0.845 2.744 6.632) 7.227 12.313 ( 3.828 0.899 3.933) 5.561 12.820 ( 5.348 -1.390 5.748) 7.974 13.959 ( -7.226 11.851 -24.511) 28.168======================= Grid point 359 (170/355) =======================q-point: (-0.17 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.269 ( 10.696 4.478 11.208) 16.127 1.729 ( 15.347 12.789 18.277) 27.077 1.983 ( 4.893 -10.606 10.207) 15.511 2.543 ( 4.794 -6.122 6.600) 10.199 2.773 ( 3.012 6.659 6.420) 9.728 2.903 ( -1.526 3.108 -7.570) 8.324 3.133 ( 7.370 2.028 -6.881) 10.285 3.227 ( 19.970 9.555 10.915) 24.683 3.530 ( 0.621 5.079 -10.362) 11.556 4.020 ( -5.699 -4.591 -2.642) 7.781 4.206 ( 22.877 -4.354 5.828) 24.006 4.377 ( 2.839 -2.898 -4.234) 5.864 4.829 ( 0.787 1.525 8.302) 8.478 5.059 ( 6.986 -2.935 -4.953) 9.053 5.456 ( -10.991 -6.202 -3.008) 12.974 5.814 ( -3.248 0.082 7.085) 7.794 5.948 ( -1.785 -0.245 -7.999) 8.199 6.122 ( -1.608 0.028 4.817) 5.078 6.408 ( -6.477 2.012 -3.569) 7.664 6.538 ( -2.929 6.806 2.050) 7.688 6.771 ( -2.032 -1.232 0.316) 2.397 6.919 ( 3.021 2.150 2.786) 4.638 7.031 ( 1.307 -0.778 1.340) 2.027 7.219 ( -0.339 -2.510 -0.219) 2.543 7.393 ( 0.893 0.903 2.123) 2.474 8.056 ( 4.707 -11.100 -0.026) 12.057 8.153 ( -0.039 4.199 4.927) 6.474 8.269 ( 4.499 0.510 5.004) 6.749 8.685 ( 3.737 -4.547 -2.657) 6.457 8.732 ( 2.120 -3.144 0.821) 3.880 8.870 ( 0.442 -2.427 5.106) 5.671 9.124 ( -7.965 -2.328 -7.469) 11.165 9.317 ( -1.205 3.169 -0.509) 3.428 9.735 ( -4.538 0.586 -1.640) 4.860 10.157 ( -1.234 -2.538 5.503) 6.184 10.164 ( -2.265 -5.381 -1.378) 5.999 10.587 ( 1.060 7.848 -1.479) 8.056 11.205 ( 1.829 -8.651 -4.601) 9.968 11.918 ( -7.349 0.495 -0.696) 7.398 12.360 ( 2.319 6.094 2.579) 7.012 12.952 ( 6.018 -2.383 3.627) 7.419 13.727 ( -7.501 10.963 -14.947) 19.997======================= Grid point 360 (171/355) =======================q-point: (-0.08 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( 12.116 -1.081 4.029) 12.814 1.962 ( 13.785 10.657 16.525) 24.014 2.154 ( 8.923 -4.774 6.542) 12.050 2.518 ( -7.215 3.393 0.902) 8.024 2.664 ( -6.220 5.216 -4.964) 9.515 2.989 ( 6.552 -2.819 8.113) 10.802 3.264 ( 7.833 -2.188 -13.804) 16.022 3.471 ( -1.934 5.385 -9.167) 10.806 3.656 ( 22.447 4.230 14.908) 27.277 3.972 ( 0.671 -2.865 -3.719) 4.742 4.476 ( 5.579 -3.438 -3.406) 7.386 4.685 ( 21.824 -2.787 5.777) 22.747 4.874 ( 4.668 0.335 5.382) 7.132 5.149 ( -7.860 -0.638 2.264) 8.204 5.290 ( 0.638 -7.768 -10.804) 13.322 5.763 ( -3.985 -1.088 0.469) 4.158 5.878 ( -4.761 0.213 -6.515) 8.072 5.972 ( -9.135 1.910 -0.580) 9.351 6.418 ( -0.322 4.595 4.521) 6.454 6.481 ( 2.400 2.223 0.853) 3.381 6.672 ( -5.393 -1.115 -3.189) 6.364 7.007 ( 3.359 2.270 5.321) 6.689 7.104 ( 8.005 0.081 8.024) 11.334 7.241 ( 1.021 -2.921 5.303) 6.139 7.410 ( 0.764 -2.080 -0.762) 2.343 8.121 ( -0.464 5.779 4.412) 7.286 8.170 ( 2.632 -8.313 1.388) 8.830 8.364 ( 3.579 1.184 3.437) 5.102 8.704 ( -3.873 0.252 0.797) 3.962 8.737 ( -2.360 0.178 1.726) 2.929 8.882 ( -1.464 -7.733 -0.031) 7.870 9.125 ( 6.031 -5.011 -5.320) 9.476 9.290 ( 0.129 2.532 -0.965) 2.713 9.651 ( -3.076 0.687 -0.832) 3.260 10.082 ( -5.206 -1.261 -0.698) 5.402 10.170 ( -1.152 -2.303 2.030) 3.279 10.479 ( -5.752 9.778 -3.312) 11.818 11.358 ( 6.679 -12.278 -1.837) 14.097 11.741 ( -9.734 1.963 -6.541) 11.890 12.336 ( -1.138 7.390 1.697) 7.667 13.051 ( 2.809 -1.539 2.265) 3.923 13.577 ( -2.408 6.091 -7.521) 9.973======================= Grid point 366 (172/355) =======================q-point: (-0.58 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( -10.507 0.000 9.584) 14.221 1.882 ( -6.635 0.000 14.523) 15.967 2.126 ( -24.785 0.000 -0.324) 24.787 2.197 ( -6.022 0.000 -6.462) 8.833 2.645 ( -20.582 0.000 15.295) 25.643 2.689 ( 6.757 -0.000 10.929) 12.850 3.066 ( 1.595 -0.000 -0.833) 1.800 3.451 ( 1.088 -0.000 -6.583) 6.672 3.746 ( -2.902 0.000 -10.587) 10.978 3.809 ( -9.478 0.000 -1.969) 9.680 4.198 ( -17.875 0.000 3.650) 18.244 4.448 ( 6.853 -0.000 -0.448) 6.867 4.767 ( 1.214 -0.000 -0.327) 1.258 4.909 ( -10.069 0.000 4.962) 11.225 5.204 ( 11.118 -0.000 -0.974) 11.160 5.572 ( 10.431 -0.000 -2.172) 10.655 5.583 ( -0.991 0.000 6.759) 6.831 6.235 ( 9.358 -0.000 1.196) 9.434 6.713 ( 9.577 -0.000 -4.164) 10.443 6.810 ( -1.655 0.000 4.263) 4.573 7.019 ( -0.628 0.000 13.769) 13.783 7.128 ( -1.585 0.000 4.069) 4.367 7.266 ( -7.755 0.000 0.549) 7.774 7.642 ( 0.629 -0.000 -6.919) 6.947 7.659 ( -19.417 0.000 -0.296) 19.420 7.847 ( -6.716 0.000 5.162) 8.471 7.885 ( -6.526 0.000 -9.517) 11.540 7.997 ( 2.690 -0.000 -6.322) 6.870 8.593 ( 3.889 -0.000 9.320) 10.099 8.857 ( -2.612 0.000 -14.105) 14.345 9.018 ( 3.357 -0.000 -2.162) 3.993 9.305 ( 8.525 -0.000 10.296) 13.368 9.412 ( -6.005 0.000 3.950) 7.187 9.455 ( 10.614 -0.000 9.283) 14.101 9.843 ( -1.751 0.000 -4.198) 4.548 9.902 ( -4.049 0.000 -2.266) 4.641 10.478 ( -1.986 0.000 -6.483) 6.780 11.490 ( 13.112 -0.000 7.131) 14.926 11.931 ( -2.353 0.000 -8.078) 8.414 12.147 ( -0.518 0.000 7.537) 7.554 12.904 ( -6.163 0.000 3.515) 7.095 13.886 ( 12.247 -0.000 -19.206) 22.779======================= Grid point 368 (173/355) =======================q-point: (-0.50 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -13.716 0.359 19.660) 23.974 1.665 ( -9.338 17.908 6.007) 21.071 1.845 ( -7.983 -13.430 3.382) 15.985 2.069 ( -13.946 -1.607 10.015) 17.245 2.336 ( -3.903 1.334 9.354) 10.223 2.849 ( 9.524 8.677 12.450) 17.916 3.170 ( 6.210 -8.575 3.794) 11.247 3.380 ( -7.843 1.111 -10.878) 13.457 3.563 ( -9.825 1.500 -6.868) 12.081 3.615 ( -10.727 -1.683 -8.709) 13.920 4.058 ( 0.075 -0.433 4.664) 4.685 4.632 ( 10.768 0.999 -0.202) 10.816 4.703 ( -8.776 0.240 6.530) 10.942 4.832 ( 2.088 -0.568 -2.135) 3.040 5.411 ( 9.935 1.047 1.401) 10.088 5.597 ( 2.083 -0.693 4.836) 5.311 5.783 ( 11.721 0.606 -1.505) 11.833 6.354 ( 2.410 0.330 -0.467) 2.477 6.748 ( -4.167 0.588 5.816) 7.179 6.837 ( 2.318 -0.964 -3.664) 4.442 7.004 ( -2.585 0.136 5.517) 6.094 7.066 ( -6.573 0.689 -0.098) 6.610 7.101 ( -9.039 -0.866 0.679) 9.106 7.337 ( -11.328 -2.862 3.648) 12.240 7.583 ( -3.961 0.222 -7.342) 8.345 7.689 ( -10.054 0.719 4.150) 10.901 7.863 ( 4.980 1.361 -4.159) 6.630 8.090 ( 5.762 -3.564 -5.902) 8.985 8.628 ( -1.694 -1.244 5.984) 6.342 8.787 ( -3.046 2.652 -6.643) 7.774 9.029 ( -2.381 0.239 -2.689) 3.599 9.324 ( -3.618 -2.492 3.533) 5.638 9.507 ( 10.490 1.093 6.698) 12.494 9.667 ( 8.543 -1.254 9.796) 13.058 9.816 ( -1.520 1.619 -4.273) 4.816 9.866 ( 3.173 -2.743 -0.688) 4.251 10.429 ( -2.179 0.129 -7.148) 7.474 11.618 ( -1.949 0.019 -4.718) 5.105 11.936 ( 6.546 5.747 6.527) 10.885 12.137 ( -1.932 -4.278 9.650) 10.731 12.805 ( -4.265 0.121 4.585) 6.263 14.088 ( 10.502 2.036 -26.453) 28.534======================= Grid point 369 (174/355) =======================q-point: (-0.42 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( -7.219 1.840 21.927) 23.158 1.529 ( 4.229 18.399 10.187) 21.452 1.711 ( -10.145 -1.838 19.144) 21.744 1.964 ( 1.095 -18.549 5.553) 19.393 2.443 ( 11.884 4.266 5.203) 13.657 2.961 ( 9.174 19.277 14.627) 25.879 3.182 ( -8.165 1.376 -11.899) 14.496 3.387 ( 2.751 -10.615 4.281) 11.772 3.416 ( -2.225 -4.625 -9.914) 11.164 3.473 ( 0.048 1.057 -6.588) 6.672 4.090 ( 0.544 -1.022 3.975) 4.141 4.527 ( -8.854 0.466 1.845) 9.056 4.802 ( 6.066 1.472 2.562) 6.748 4.881 ( 2.434 -1.090 -1.202) 2.925 5.536 ( 3.649 2.096 1.008) 4.327 5.688 ( 6.585 -1.262 0.704) 6.742 5.957 ( 5.737 2.730 0.562) 6.378 6.301 ( -7.397 -1.881 0.265) 7.637 6.653 ( -6.344 -1.764 7.252) 9.796 6.807 ( -4.720 1.559 -5.859) 7.684 6.921 ( -3.941 -0.503 -1.473) 4.237 6.947 ( -3.161 -0.547 0.277) 3.220 6.984 ( -4.307 -1.198 2.668) 5.206 7.261 ( -1.413 0.755 -2.512) 2.980 7.490 ( -7.331 2.541 4.563) 9.002 7.593 ( 3.258 -5.215 -0.707) 6.189 7.982 ( 7.337 0.356 0.504) 7.363 8.217 ( 5.886 -1.652 -3.774) 7.185 8.563 ( -5.776 -3.258 2.504) 7.089 8.714 ( -2.176 3.101 -1.394) 4.037 8.933 ( -6.134 -0.115 -2.815) 6.750 9.319 ( 0.891 -2.308 3.320) 4.141 9.539 ( -7.640 1.585 -3.754) 8.659 9.769 ( 4.925 -0.555 3.599) 6.125 9.928 ( 8.182 -3.424 5.676) 10.530 9.978 ( 5.696 -3.096 3.526) 7.380 10.415 ( 3.027 1.575 -7.037) 7.821 11.472 ( -10.264 0.840 -8.231) 13.184 12.042 ( 4.039 7.021 10.465) 13.233 12.182 ( 4.300 -5.421 9.101) 11.433 12.763 ( -0.203 0.330 5.200) 5.214 14.170 ( 1.694 4.235 -29.110) 29.465======================= Grid point 370 (175/355) =======================q-point: (-0.33 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( -0.486 9.639 16.326) 18.965 1.636 ( 12.581 12.385 16.236) 23.985 1.707 ( 3.910 -8.537 15.556) 18.171 2.183 ( 10.441 -15.291 8.287) 20.285 2.685 ( 13.817 4.225 5.296) 15.389 2.992 ( -1.228 7.673 -1.011) 7.836 3.130 ( 10.880 15.796 7.449) 20.576 3.229 ( -7.892 -0.498 -17.169) 18.902 3.531 ( 6.447 3.154 -4.721) 8.590 3.713 ( 15.347 -12.021 6.683) 20.608 4.064 ( -4.269 -2.237 2.784) 5.566 4.379 ( -6.199 -1.219 -2.717) 6.877 4.852 ( 0.229 1.541 5.939) 6.140 4.934 ( 3.276 -1.157 -2.882) 4.514 5.530 ( -3.766 -0.926 -1.377) 4.115 5.827 ( 5.810 -0.148 -3.425) 6.746 5.962 ( -1.989 1.538 6.010) 6.515 6.154 ( -7.819 -2.836 3.080) 8.869 6.610 ( 1.023 2.067 6.537) 6.932 6.651 ( -10.142 0.653 -5.909) 11.756 6.837 ( -4.799 3.049 -2.065) 6.049 6.926 ( 0.025 0.479 0.114) 0.493 6.970 ( 1.031 -2.580 1.836) 3.330 7.212 ( -2.155 -1.272 -5.835) 6.349 7.421 ( 0.175 4.043 5.597) 6.906 7.750 ( 7.804 -9.793 -1.213) 12.581 8.118 ( 6.891 1.200 3.580) 7.858 8.276 ( -0.034 2.375 1.238) 2.679 8.520 ( 0.036 -6.817 -0.487) 6.834 8.686 ( 0.442 0.514 -0.039) 0.679 8.849 ( -1.923 -0.714 0.147) 2.057 9.323 ( -11.894 -0.070 -5.890) 13.273 9.355 ( 0.479 0.436 2.008) 2.109 9.805 ( -1.698 -0.293 -0.070) 1.724 10.067 ( 3.383 -4.905 3.165) 6.747 10.086 ( 2.958 -3.586 4.861) 6.726 10.532 ( 9.936 2.930 -1.883) 10.528 11.256 ( -10.650 -0.355 -7.867) 13.245 12.032 ( -2.847 2.201 6.123) 7.102 12.320 ( 6.623 0.492 6.305) 9.158 12.813 ( 4.911 -0.269 5.149) 7.120 14.055 ( -7.467 6.746 -25.148) 27.087======================= Grid point 371 (176/355) =======================q-point: (-0.25 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.331 ( 8.432 7.202 9.684) 14.722 1.855 ( 12.599 2.304 14.619) 19.436 1.880 ( 9.327 -0.012 11.784) 15.029 2.466 ( 9.591 -8.702 10.289) 16.540 2.830 ( 1.989 4.388 5.132) 7.039 2.928 ( -3.160 1.722 -10.992) 11.566 3.132 ( 2.144 -0.317 -15.280) 15.432 3.372 ( 20.608 16.099 18.100) 31.803 3.589 ( 1.834 6.203 -7.671) 10.034 3.962 ( -4.891 -6.743 -0.519) 8.347 4.156 ( 22.618 -5.011 6.562) 24.078 4.342 ( 1.930 -3.655 -4.598) 6.182 4.842 ( -0.274 0.908 8.917) 8.967 5.029 ( 6.205 -2.725 -5.348) 8.633 5.400 ( -11.190 -4.536 -3.790) 12.655 5.824 ( -3.083 1.839 4.487) 5.747 5.939 ( -2.423 -1.585 -6.387) 7.013 6.118 ( 0.427 -0.596 8.365) 8.397 6.421 ( -9.104 0.556 -5.282) 10.540 6.610 ( -1.832 6.673 1.308) 7.043 6.766 ( -2.195 0.028 0.773) 2.327 6.939 ( 2.863 1.700 4.141) 5.314 7.013 ( 1.768 -2.542 3.851) 4.941 7.200 ( 0.169 -1.131 -2.866) 3.086 7.411 ( -0.037 2.691 0.814) 2.812 7.937 ( 5.633 -11.222 -2.675) 12.838 8.200 ( 0.919 4.553 4.831) 6.701 8.280 ( 4.923 1.465 5.080) 7.224 8.613 ( 4.432 -7.823 -0.433) 9.001 8.717 ( 1.824 -1.047 -0.799) 2.250 8.856 ( 0.765 -0.220 2.914) 3.021 9.099 ( -9.675 -2.554 -6.838) 12.119 9.350 ( -0.493 3.012 1.175) 3.270 9.737 ( -4.629 -0.105 -2.496) 5.260 10.108 ( -1.733 -4.536 1.861) 5.200 10.137 ( 0.816 -1.902 3.778) 4.308 10.666 ( 4.082 7.285 -0.362) 8.358 11.120 ( -2.816 -7.635 -5.584) 9.870 11.928 ( -7.100 1.272 -0.423) 7.226 12.411 ( 3.244 3.758 3.832) 6.271 12.934 ( 6.191 -1.141 3.635) 7.270 13.824 ( -9.386 7.751 -16.775) 20.727======================= Grid point 372 (177/355) =======================q-point: (-0.17 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 9.451 0.733 4.681) 10.572 2.064 ( 10.402 4.871 11.244) 16.074 2.114 ( 14.627 1.032 9.892) 17.688 2.547 ( -3.863 2.553 3.106) 5.575 2.721 ( -8.541 5.045 -5.452) 11.320 2.952 ( 5.981 -4.292 5.942) 9.461 3.247 ( 8.099 -0.978 -11.964) 14.481 3.530 ( -2.557 6.066 -5.163) 8.366 3.695 ( 14.288 2.875 4.698) 15.313 3.947 ( 3.676 -1.921 0.909) 4.246 4.442 ( 6.715 -2.884 -2.210) 7.635 4.651 ( 22.547 -3.719 6.524) 23.765 4.877 ( 4.430 0.189 6.407) 7.792 5.140 ( -7.921 -1.162 2.511) 8.390 5.211 ( 1.741 -7.076 -11.372) 13.507 5.764 ( -3.307 1.049 -1.591) 3.817 5.878 ( -3.586 -0.215 -3.150) 4.778 5.988 ( -11.254 1.307 -1.292) 11.403 6.432 ( 5.343 -1.544 8.033) 9.770 6.521 ( -3.309 5.141 -2.697) 6.682 6.673 ( -5.646 1.110 -3.481) 6.725 7.022 ( 3.271 0.201 7.853) 8.510 7.101 ( 7.585 -0.299 9.416) 12.095 7.220 ( 1.660 -0.932 2.906) 3.474 7.398 ( -0.253 -0.154 -2.013) 2.035 8.073 ( 3.430 -9.493 -0.830) 10.127 8.187 ( 1.185 6.147 3.742) 7.293 8.378 ( 3.449 1.394 3.153) 4.877 8.694 ( -3.588 -3.242 1.343) 5.019 8.734 ( 2.416 -0.810 -1.991) 3.234 8.823 ( -4.168 -2.590 1.880) 5.255 9.061 ( 3.090 -6.711 -5.070) 8.960 9.329 ( 0.808 4.440 1.192) 4.667 9.653 ( -3.391 -0.394 -1.825) 3.871 10.068 ( -3.716 -1.359 -0.011) 3.957 10.149 ( -0.750 -1.790 2.806) 3.411 10.584 ( -5.615 10.438 -3.949) 12.493 11.227 ( 6.278 -12.711 -1.088) 14.218 11.765 ( -8.530 2.336 -5.683) 10.513 12.404 ( -1.580 5.516 1.733) 5.994 13.037 ( 3.431 -1.068 2.364) 4.302 13.638 ( -4.852 5.473 -8.992) 11.591======================= Grid point 373 (178/355) =======================q-point: (-0.08 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 6.344 -3.444 1.977) 7.484 2.225 ( 6.646 7.536 12.594) 16.111 2.383 ( -0.543 7.342 0.774) 7.403 2.399 ( 5.680 1.003 0.262) 5.774 2.555 ( -3.982 -0.677 -3.936) 5.640 3.084 ( 4.703 -0.419 9.471) 10.583 3.389 ( 7.139 -1.620 -13.856) 15.671 3.452 ( -1.981 2.548 -1.315) 3.486 3.898 ( 9.012 -7.034 -7.808) 13.844 4.105 ( 7.893 -2.224 3.126) 8.776 4.586 ( 7.304 1.017 4.206) 8.489 4.848 ( -0.067 1.088 3.642) 3.801 4.886 ( -13.894 -0.094 3.451) 14.316 5.148 ( 18.504 -1.777 -1.978) 18.694 5.382 ( 8.110 -5.806 -7.356) 12.393 5.657 ( -10.404 2.935 -2.539) 11.104 5.716 ( -5.857 -1.717 -4.875) 7.812 5.930 ( 3.184 -0.051 5.282) 6.168 6.333 ( -12.141 2.179 -9.408) 15.513 6.466 ( -2.129 6.313 0.419) 6.675 6.718 ( 7.956 -3.577 8.720) 12.334 7.079 ( 2.895 0.842 8.027) 8.575 7.234 ( 3.476 -0.679 8.860) 9.541 7.319 ( 7.180 -0.200 9.863) 12.202 7.427 ( 4.341 -2.857 -0.190) 5.200 8.114 ( -2.895 1.112 1.610) 3.494 8.223 ( 4.356 -1.405 -0.576) 4.613 8.377 ( -1.620 1.550 -1.437) 2.663 8.604 ( -6.038 2.179 1.802) 6.668 8.719 ( -1.133 0.813 4.998) 5.189 8.810 ( -2.078 -7.057 -3.585) 8.183 9.182 ( 3.562 -12.844 -4.395) 14.035 9.326 ( 1.132 7.581 1.106) 7.744 9.650 ( 3.501 -0.259 1.388) 3.775 10.011 ( -1.695 -0.236 -2.552) 3.073 10.135 ( -1.768 -1.020 1.753) 2.691 10.395 ( -7.941 9.488 -3.799) 12.943 11.402 ( 3.552 -9.311 -5.141) 11.214 11.599 ( -4.927 2.228 -4.415) 6.981 12.315 ( -4.441 4.962 0.172) 6.661 13.079 ( 0.618 -0.446 2.492) 2.606 13.564 ( -0.734 2.403 -4.823) 5.438======================= Grid point 380 (179/355) =======================q-point: ( 0.50 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.389 ( -5.028 0.000 21.727) 22.301 1.648 ( -5.055 0.000 17.852) 18.554 1.766 ( 6.118 0.000 1.702) 6.350 1.781 ( -8.796 -0.000 14.280) 16.772 2.464 ( 11.593 0.000 4.006) 12.265 3.107 ( 10.194 -0.000 13.451) 16.878 3.194 ( -5.986 0.000 -11.570) 13.027 3.267 ( 6.877 0.000 10.187) 12.291 3.408 ( -9.099 -0.000 -15.076) 17.609 3.479 ( 0.775 0.000 -5.602) 5.656 4.085 ( 0.524 0.000 4.456) 4.487 4.529 ( -9.327 0.000 2.465) 9.648 4.810 ( 6.152 -0.000 2.784) 6.752 4.875 ( 2.425 0.000 -1.341) 2.771 5.547 ( 3.208 0.000 0.638) 3.271 5.681 ( 6.788 0.000 0.859) 6.842 5.972 ( 6.155 0.000 0.336) 6.164 6.290 ( -8.603 0.000 0.184) 8.605 6.644 ( -5.488 0.000 7.508) 9.300 6.815 ( -4.755 -0.000 -5.865) 7.551 6.920 ( -4.367 0.000 -0.909) 4.460 6.943 ( -2.935 0.000 0.546) 2.986 6.977 ( -3.587 0.000 2.610) 4.436 7.265 ( -1.141 0.000 -2.832) 3.054 7.509 ( -7.553 -0.000 8.503) 11.373 7.560 ( 2.684 0.000 -5.354) 5.989 7.985 ( 7.347 0.000 0.179) 7.349 8.207 ( 7.014 -0.000 -4.641) 8.411 8.546 ( -6.163 -0.000 3.074) 6.887 8.732 ( -2.892 0.000 -1.273) 3.159 8.930 ( -6.465 -0.000 -3.265) 7.242 9.307 ( 1.832 0.000 3.500) 3.951 9.547 ( -8.236 0.000 -3.758) 9.052 9.766 ( 5.034 0.000 4.276) 6.605 9.909 ( 7.466 -0.000 6.014) 9.587 9.964 ( 6.199 0.000 2.403) 6.648 10.423 ( 3.363 0.000 -6.978) 7.746 11.476 ( -10.336 0.000 -8.216) 13.203 12.094 ( -1.974 0.000 10.189) 10.378 12.138 ( 10.220 -0.000 9.843) 14.189 12.765 ( -0.239 0.000 5.023) 5.028 14.191 ( 1.725 0.000 -28.920) 28.972======================= Grid point 382 (180/355) =======================q-point: (-0.42 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 1.420 6.410 14.226) 15.668 1.597 ( 0.572 -6.614 17.228) 18.463 1.799 ( 11.264 12.808 12.916) 21.395 2.027 ( 13.552 -13.171 10.022) 21.391 2.714 ( 13.428 1.440 4.671) 14.290 3.026 ( -5.428 1.025 -10.541) 11.901 3.218 ( -7.168 -0.166 -16.872) 18.333 3.335 ( 13.827 19.458 13.642) 27.494 3.521 ( 9.222 -10.228 9.009) 16.457 3.598 ( 14.054 -4.854 -3.919) 15.377 4.050 ( -4.527 -0.586 4.103) 6.138 4.368 ( -7.190 -0.702 -2.634) 7.689 4.863 ( -0.153 0.497 6.509) 6.530 4.924 ( 3.089 -0.545 -2.703) 4.141 5.524 ( -5.241 -0.225 -2.484) 5.804 5.827 ( 7.124 0.058 -4.419) 8.383 5.974 ( -4.509 0.584 5.912) 7.458 6.133 ( -6.352 -1.189 4.422) 7.830 6.624 ( 2.670 0.657 6.438) 7.000 6.655 ( -10.741 0.227 -6.186) 12.397 6.866 ( -3.609 2.058 -2.746) 4.981 6.922 ( 0.164 -1.112 4.804) 4.934 6.954 ( 0.296 -0.455 -0.566) 0.785 7.202 ( -2.654 -0.553 -6.752) 7.276 7.461 ( 0.390 2.859 6.909) 7.487 7.670 ( 7.236 -4.741 -3.990) 9.526 8.130 ( 7.699 0.797 3.480) 8.486 8.295 ( 0.937 0.961 0.165) 1.352 8.467 ( -0.674 -2.890 -0.318) 2.985 8.692 ( -0.819 0.452 2.098) 2.297 8.841 ( -1.757 -0.538 -2.261) 2.914 9.323 ( -13.210 0.022 -5.991) 14.505 9.358 ( 2.127 0.166 2.799) 3.520 9.802 ( -1.627 -0.213 0.235) 1.658 10.025 ( 3.497 -2.180 4.767) 6.302 10.068 ( 3.927 -0.728 3.338) 5.205 10.553 ( 10.105 1.043 -2.035) 10.360 11.253 ( -11.843 -0.173 -7.886) 14.229 12.048 ( -3.918 0.832 5.724) 6.986 12.323 ( 8.015 0.153 7.545) 11.009 12.812 ( 4.658 0.003 4.823) 6.705 14.101 ( -7.464 2.173 -25.181) 26.354======================= Grid point 383 (181/355) =======================q-point: (-0.33 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 5.697 7.459 8.437) 12.621 1.759 ( 9.356 -9.256 9.784) 16.399 1.999 ( 13.759 11.462 14.340) 22.942 2.369 ( 13.700 -9.230 13.666) 21.439 2.867 ( 0.473 2.851 2.530) 3.841 2.937 ( -3.315 0.069 -11.394) 11.867 3.132 ( 2.503 0.115 -14.406) 14.622 3.536 ( 14.975 14.500 12.412) 24.260 3.653 ( 3.825 5.958 -2.924) 7.660 3.876 ( -1.496 -9.902 2.881) 10.420 4.112 ( 20.535 -3.218 6.434) 21.758 4.306 ( 1.346 -2.950 -5.080) 6.027 4.849 ( -0.821 0.383 9.510) 9.553 5.005 ( 5.580 -1.641 -5.515) 8.016 5.364 ( -11.497 -2.317 -4.451) 12.544 5.850 ( -2.670 3.064 1.808) 4.448 5.916 ( -2.438 -2.699 -4.275) 5.613 6.111 ( 1.186 -0.668 10.381) 10.470 6.423 ( -10.627 0.085 -6.278) 12.343 6.668 ( -0.345 4.186 1.326) 4.405 6.770 ( -3.779 0.683 0.153) 3.843 6.949 ( 2.181 -0.117 6.870) 7.209 6.988 ( 2.744 -1.597 3.774) 4.932 7.194 ( 1.032 -0.278 -4.103) 4.240 7.444 ( -0.956 3.242 -0.219) 3.387 7.836 ( 6.455 -7.741 -4.204) 10.920 8.245 ( 1.727 3.995 4.766) 6.454 8.292 ( 4.809 0.417 4.918) 6.891 8.541 ( 4.389 -5.415 -1.366) 7.103 8.704 ( 1.155 -1.223 2.330) 2.874 8.862 ( 2.806 1.025 -0.895) 3.119 9.074 ( -11.488 -1.935 -6.244) 13.218 9.377 ( 0.131 1.915 2.299) 2.995 9.734 ( -4.812 -0.375 -3.075) 5.723 10.072 ( -0.172 -2.438 3.275) 4.086 10.121 ( 0.987 -1.144 3.438) 3.755 10.733 ( 8.173 5.152 1.162) 9.730 11.052 ( -8.054 -5.216 -7.109) 11.942 11.940 ( -7.020 0.905 -0.355) 7.087 12.439 ( 3.824 1.764 4.664) 6.284 12.927 ( 6.145 -0.401 3.542) 7.104 13.885 ( -10.281 3.941 -17.604) 20.764======================= Grid point 384 (182/355) =======================q-point: (-0.25 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 6.370 1.733 5.390) 8.522 2.033 ( 14.420 -4.759 5.136) 16.030 2.201 ( 12.128 9.641 13.016) 20.235 2.571 ( 1.419 2.021 6.700) 7.140 2.759 ( -9.148 2.193 -3.222) 9.943 2.906 ( 3.703 -4.111 0.857) 5.599 3.243 ( 7.665 0.012 -9.653) 12.326 3.593 ( -4.711 5.694 -1.957) 7.645 3.712 ( 6.485 0.818 -5.733) 8.694 3.931 ( 6.607 -1.392 4.589) 8.164 4.422 ( 9.687 -0.646 -0.299) 9.714 4.610 ( 23.196 -4.027 8.126) 24.906 4.878 ( 4.215 0.005 7.202) 8.345 5.126 ( -11.121 -1.449 1.925) 11.379 5.149 ( 5.697 -4.533 -11.199) 13.357 5.781 ( -3.665 2.071 -6.221) 7.512 5.873 ( -1.736 -0.624 1.948) 2.683 5.999 ( -12.540 0.863 -1.390) 12.646 6.405 ( 6.175 -3.005 8.701) 11.084 6.573 ( -6.195 4.463 -4.803) 9.020 6.688 ( -4.316 1.308 -2.137) 4.991 7.009 ( 1.945 -2.253 9.045) 9.522 7.104 ( 8.507 0.759 11.095) 14.002 7.219 ( 2.146 0.476 1.133) 2.473 7.406 ( -0.989 1.591 -3.227) 3.732 7.979 ( 4.833 -8.085 -2.747) 9.812 8.247 ( 1.887 5.270 3.752) 6.739 8.392 ( 2.856 1.114 2.819) 4.165 8.638 ( 1.108 -6.143 -1.779) 6.491 8.724 ( 0.543 -1.046 1.621) 2.004 8.830 ( -4.333 2.979 0.088) 5.259 8.993 ( 0.064 -6.239 -4.535) 7.713 9.375 ( 2.133 4.075 2.658) 5.313 9.644 ( -4.075 -1.274 -3.027) 5.234 10.055 ( -2.478 -0.998 1.206) 2.932 10.133 ( -0.413 -1.188 3.029) 3.280 10.692 ( -6.002 10.342 -4.977) 12.952 11.099 ( 6.397 -11.819 0.098) 13.439 11.787 ( -7.900 1.762 -5.327) 9.690 12.449 ( -1.680 3.274 1.982) 4.180 13.029 ( 3.732 -0.561 2.397) 4.471 13.686 ( -6.545 3.703 -10.004) 12.515======================= Grid point 385 (183/355) =======================q-point: (-0.17 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.630 ( 5.454 -2.167 3.305) 6.735 2.293 ( 8.616 4.894 8.724) 13.202 2.404 ( 7.088 0.475 2.035) 7.390 2.467 ( -0.985 8.595 3.978) 9.522 2.558 ( -8.703 1.012 -6.389) 10.844 3.064 ( 7.372 -3.435 11.744) 14.285 3.375 ( 6.927 -0.943 -13.092) 14.842 3.475 ( -4.693 1.679 -1.112) 5.107 3.836 ( 8.087 -4.502 -10.377) 13.905 4.072 ( 5.015 -3.843 -0.643) 6.351 4.612 ( 9.703 3.759 6.625) 12.336 4.845 ( -0.738 -1.359 5.789) 5.992 4.886 ( -10.722 -0.141 3.688) 11.339 5.132 ( 18.434 -1.368 -1.517) 18.547 5.327 ( 8.415 -4.663 -6.624) 11.680 5.688 ( -8.360 2.633 -6.796) 11.091 5.703 ( -9.120 -0.635 -3.000) 9.622 5.931 ( 4.355 0.253 5.669) 7.153 6.357 ( -12.997 2.361 -9.078) 16.029 6.512 ( 0.080 2.168 3.566) 4.174 6.691 ( 6.475 -1.311 5.728) 8.744 7.064 ( 1.637 -2.979 9.162) 9.773 7.247 ( 5.005 2.526 8.878) 10.500 7.317 ( 7.748 -0.170 11.009) 13.463 7.411 ( 3.455 -0.281 -1.366) 3.726 8.079 ( 0.197 -6.072 -0.793) 6.127 8.249 ( 1.197 4.898 -1.607) 5.292 8.390 ( -0.357 0.827 -0.647) 1.109 8.624 ( -3.468 1.375 0.634) 3.784 8.723 ( -4.726 -0.917 1.060) 4.929 8.760 ( -0.145 -1.423 0.368) 1.477 9.049 ( 1.134 -12.445 -3.230) 12.907 9.405 ( 2.569 7.590 1.344) 8.125 9.637 ( 3.537 -2.219 1.186) 4.340 10.008 ( -2.134 -0.210 -1.860) 2.839 10.126 ( -1.193 -0.710 2.103) 2.520 10.491 ( -8.727 8.857 -5.730) 13.691 11.300 ( 7.508 -9.755 -0.650) 12.327 11.627 ( -6.562 2.752 -6.789) 9.835 12.359 ( -5.426 3.557 0.002) 6.488 13.075 ( 0.865 -0.309 2.391) 2.561 13.588 ( -1.935 2.044 -5.291) 5.993======================= Grid point 386 (184/355) =======================q-point: (-0.08 0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 6.629 -3.135 0.632) 7.361 2.165 ( -12.347 4.887 -1.736) 13.391 2.341 ( -8.458 0.294 1.681) 8.629 2.457 ( 5.522 4.259 8.205) 10.768 2.746 ( 14.870 0.450 -2.535) 15.091 3.203 ( 6.181 2.055 8.390) 10.622 3.414 ( -1.918 -2.259 1.687) 3.410 3.475 ( 3.307 -2.124 -13.798) 14.347 4.039 ( 9.159 -5.512 -8.020) 13.364 4.163 ( 4.474 -5.459 -4.045) 8.135 4.638 ( -9.813 3.869 -1.574) 10.665 4.706 ( -3.459 1.730 10.624) 11.306 4.857 ( 1.913 1.651 1.218) 2.805 5.404 ( -2.522 0.349 -6.354) 6.846 5.419 ( -0.407 -0.755 4.334) 4.418 5.478 ( 4.258 -3.753 -3.814) 6.838 5.696 ( 2.458 -1.842 -2.837) 4.181 6.063 ( -2.947 4.156 0.723) 5.146 6.070 ( -1.983 -0.106 -7.219) 7.487 6.447 ( -3.546 5.638 -2.692) 7.184 6.858 ( 7.238 -2.927 10.432) 13.030 7.115 ( 0.757 -3.682 10.354) 11.015 7.333 ( 5.067 4.045 11.232) 12.969 7.420 ( 4.670 1.221 1.477) 5.048 7.584 ( 10.772 -2.561 11.499) 15.963 8.009 ( -7.190 -2.540 -2.040) 7.894 8.293 ( 3.174 0.195 -2.216) 3.876 8.368 ( -2.390 4.535 -2.557) 5.729 8.515 ( -2.641 1.479 1.018) 3.194 8.699 ( -4.928 0.021 2.394) 5.478 8.714 ( -1.244 -5.412 -1.146) 5.670 9.155 ( 2.787 -14.603 -2.187) 15.027 9.387 ( 0.176 9.413 1.340) 9.510 9.766 ( 7.491 -0.495 2.102) 7.796 9.999 ( 0.757 -2.981 -2.997) 4.294 10.095 ( -2.434 0.647 0.245) 2.530 10.277 ( -8.193 7.337 -3.676) 11.596 11.363 ( -4.580 3.671 -13.817) 15.012 11.602 ( 5.656 -5.941 3.878) 9.073 12.230 ( -6.097 2.263 -1.561) 6.689 13.081 ( -0.255 -0.231 3.102) 3.121 13.562 ( -0.084 0.842 -3.507) 3.608======================= Grid point 394 (185/355) =======================q-point: ( 0.58 -0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.458 ( 3.479 -0.000 7.800) 8.540 1.702 ( 11.303 -0.000 9.813) 14.969 2.072 ( 12.268 -0.000 12.495) 17.511 2.308 ( 16.280 -0.000 15.986) 22.816 2.884 ( 0.052 -0.000 2.455) 2.455 2.935 ( -3.532 0.000 -12.384) 12.878 3.133 ( 2.867 -0.000 -13.780) 14.075 3.624 ( 7.664 -0.000 -1.570) 7.823 3.712 ( 12.534 -0.000 15.029) 19.570 3.787 ( -2.276 0.000 -0.131) 2.279 4.095 ( 18.987 -0.000 6.195) 19.972 4.289 ( 1.118 -0.000 -5.355) 5.470 4.851 ( -0.985 0.000 9.736) 9.785 4.997 ( 5.355 -0.000 -5.555) 7.716 5.352 ( -11.645 0.000 -4.712) 12.562 5.884 ( -3.896 0.000 10.303) 11.015 5.885 ( -0.928 0.000 -12.921) 12.954 6.107 ( 1.321 -0.000 10.978) 11.057 6.424 ( -11.143 0.000 -6.600) 12.951 6.690 ( 0.944 -0.000 1.786) 2.020 6.775 ( -5.420 0.000 -0.792) 5.477 6.944 ( 1.699 -0.000 8.482) 8.650 6.982 ( 3.562 -0.000 3.236) 4.812 7.193 ( 1.435 -0.000 -4.359) 4.589 7.465 ( -1.527 0.000 -0.528) 1.616 7.792 ( 6.952 -0.000 -4.792) 8.443 8.276 ( -1.083 0.000 3.810) 3.961 8.286 ( 7.860 -0.000 5.986) 9.880 8.511 ( 4.351 -0.000 -2.246) 4.897 8.697 ( 0.764 -0.000 3.976) 4.049 8.869 ( 4.107 -0.000 -2.623) 4.873 9.063 ( -12.515 0.000 -5.918) 13.844 9.387 ( 0.389 -0.000 2.698) 2.726 9.732 ( -4.913 0.000 -3.282) 5.908 10.059 ( 0.351 -0.000 3.839) 3.855 10.115 ( 1.060 -0.000 3.253) 3.421 10.762 ( 11.053 -0.000 2.259) 11.281 11.022 ( -11.339 0.000 -8.222) 14.006 11.945 ( -7.004 0.000 -0.345) 7.013 12.448 ( 4.017 -0.000 4.949) 6.374 12.925 ( 6.106 -0.000 3.497) 7.037 13.905 ( -10.535 0.000 -17.829) 20.709======================= Grid point 396 (186/355) =======================q-point: (-0.33 0.58 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.529 ( 3.944 0.958 6.043) 7.280 1.995 ( 17.120 -2.101 3.941) 17.693 2.278 ( 9.624 4.287 11.127) 15.323 2.586 ( 8.234 0.703 11.912) 14.498 2.768 ( -9.170 -0.123 -0.510) 9.185 2.876 ( -0.109 -1.401 -5.517) 5.693 3.244 ( 7.257 0.168 -8.078) 10.861 3.636 ( -8.424 2.085 -0.750) 8.710 3.721 ( 4.237 0.858 -10.254) 11.128 3.916 ( 7.279 -1.244 4.608) 8.704 4.426 ( 12.236 0.749 1.091) 12.308 4.575 ( 23.943 -2.241 9.953) 26.026 4.878 ( 4.066 -0.030 7.588) 8.609 5.108 ( -10.257 -1.475 -7.573) 12.835 5.125 ( 5.180 -0.716 -2.037) 5.612 5.800 ( -5.035 1.213 -12.977) 13.972 5.867 ( 0.439 -0.502 8.837) 8.862 6.006 ( -13.063 0.313 -1.275) 13.129 6.381 ( 5.988 -1.364 8.649) 10.607 6.608 ( -8.152 1.924 -6.206) 10.425 6.696 ( -2.864 0.295 -0.845) 3.000 6.989 ( 1.574 -1.245 9.403) 9.615 7.112 ( 8.910 0.500 12.117) 15.049 7.224 ( 2.219 0.307 0.418) 2.279 7.423 ( -1.486 1.130 -3.968) 4.386 7.917 ( 5.689 -3.376 -3.621) 7.541 8.290 ( 2.712 2.525 3.838) 5.335 8.398 ( 1.768 0.158 2.639) 3.180 8.589 ( 2.774 -2.757 -3.294) 5.113 8.714 ( 0.486 -0.597 4.108) 4.180 8.869 ( -4.268 4.027 -2.298) 6.302 8.934 ( -1.376 -4.802 -3.748) 6.245 9.407 ( 3.312 1.785 3.674) 5.259 9.631 ( -4.925 -0.818 -4.104) 6.463 10.048 ( -1.796 -0.350 2.174) 2.842 10.125 ( -0.190 -0.428 2.990) 3.026 10.789 ( -8.751 7.099 -7.582) 13.581 10.992 ( 8.946 -7.605 2.774) 12.065 11.799 ( -7.628 0.646 -5.194) 9.252 12.472 ( -1.671 1.073 2.162) 2.935 13.025 ( 3.838 -0.166 2.402) 4.530 13.712 ( -7.385 1.300 -10.497) 12.901======================= Grid point 397 (187/355) =======================q-point: (-0.25 0.58 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 4.662 -0.990 4.297) 6.417 2.320 ( 12.949 0.808 3.514) 13.442 2.418 ( 4.992 1.820 5.329) 7.525 2.545 ( -5.385 4.870 1.542) 7.423 2.576 ( -8.070 3.031 -3.048) 9.144 3.020 ( 9.441 -4.311 13.097) 16.710 3.369 ( 6.737 -0.244 -12.027) 13.788 3.483 ( -6.626 0.074 -1.363) 6.765 3.808 ( 7.431 -1.019 -11.877) 14.047 4.033 ( 3.899 -3.301 -2.914) 5.881 4.655 ( 10.890 3.788 6.991) 13.484 4.828 ( 0.153 -1.575 8.343) 8.491 4.881 ( -9.928 -0.710 3.488) 10.547 5.121 ( 18.596 -0.617 -0.900) 18.628 5.288 ( 8.333 -2.717 -6.375) 10.838 5.694 ( -4.388 -0.289 -8.892) 9.920 5.715 ( -14.345 1.649 -3.324) 14.817 5.935 ( 5.510 0.454 6.723) 8.704 6.379 ( -13.476 1.731 -8.669) 16.117 6.516 ( 2.940 -0.699 7.281) 7.884 6.688 ( 4.090 0.266 1.959) 4.543 7.033 ( 1.271 -2.390 9.718) 10.088 7.272 ( 4.854 1.953 7.245) 8.936 7.315 ( 9.050 -0.260 13.773) 16.482 7.418 ( 2.649 1.197 -2.109) 3.591 8.018 ( 1.749 -4.797 -2.694) 5.773 8.301 ( -1.801 4.703 -2.674) 5.702 8.390 ( 1.613 -0.932 0.465) 1.920 8.625 ( 0.443 -0.984 -2.795) 2.997 8.719 ( -3.845 1.102 3.476) 5.299 8.771 ( -3.889 2.513 0.183) 4.634 8.932 ( -0.406 -9.969 -2.177) 10.212 9.481 ( 3.521 7.024 1.371) 7.975 9.603 ( 3.310 -4.319 0.841) 5.506 10.007 ( -2.390 -0.054 -0.941) 2.569 10.120 ( -0.806 -0.360 2.239) 2.407 10.570 ( -9.830 5.932 -7.842) 13.904 11.212 ( 9.734 -6.595 2.269) 11.975 11.650 ( -6.682 1.639 -7.527) 10.198 12.387 ( -6.004 1.820 -0.041) 6.274 13.073 ( 1.005 -0.147 2.326) 2.538 13.605 ( -2.763 1.166 -5.615) 6.366======================= Grid point 398 (188/355) =======================q-point: (-0.17 0.58 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 6.761 -1.983 1.073) 7.127 2.217 ( -14.387 5.087 -2.688) 15.494 2.336 ( -10.160 -1.390 1.016) 10.305 2.499 ( 5.356 3.731 9.232) 11.306 2.757 ( 15.477 1.394 -2.425) 15.727 3.204 ( 6.848 -1.362 11.082) 13.098 3.392 ( -3.495 -2.116 0.489) 4.115 3.458 ( 2.609 -1.139 -14.437) 14.715 3.999 ( 11.326 -2.162 -7.486) 13.747 4.113 ( 4.635 -4.132 -5.881) 8.552 4.669 ( -9.674 1.808 5.193) 11.128 4.727 ( -3.860 2.629 3.810) 6.027 4.865 ( 2.439 0.057 2.205) 3.289 5.394 ( 7.163 -1.107 -3.780) 8.175 5.424 ( -9.266 0.410 3.244) 9.826 5.448 ( 4.106 -1.990 -4.746) 6.583 5.681 ( 1.845 -1.149 -3.911) 4.475 6.073 ( -4.842 0.546 -8.236) 9.570 6.103 ( 0.654 3.314 2.702) 4.326 6.490 ( -3.336 2.747 -2.709) 5.100 6.833 ( 7.685 -1.876 9.517) 12.375 7.076 ( 0.538 -3.343 10.575) 11.104 7.364 ( 5.139 1.415 8.171) 9.756 7.451 ( 6.216 4.799 5.503) 9.589 7.562 ( 10.374 -1.901 12.768) 16.560 7.970 ( -7.958 -4.387 -3.404) 9.704 8.292 ( 3.305 -0.042 -5.513) 6.428 8.423 ( -1.447 5.201 -0.791) 5.456 8.530 ( -5.320 1.856 0.004) 5.635 8.668 ( 0.535 -3.206 0.429) 3.279 8.701 ( -5.624 -0.045 1.803) 5.906 9.015 ( 3.145 -11.822 -2.085) 12.410 9.475 ( 0.744 7.555 1.518) 7.742 9.752 ( 7.884 -2.173 2.679) 8.605 9.974 ( -1.145 -1.846 -3.100) 3.786 10.099 ( -1.587 0.309 0.845) 1.824 10.348 ( -9.402 5.850 -5.862) 12.529 11.381 ( 2.097 -0.166 -9.671) 9.898 11.559 ( 1.429 -2.117 1.377) 2.902 12.249 ( -7.090 1.400 -1.613) 7.405 13.079 ( -0.296 -0.149 2.977) 2.996 13.570 ( -0.478 0.623 -3.575) 3.661======================= Grid point 399 (189/355) =======================q-point: (-0.08 -0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -7.502 -2.049 -2.720) 8.239 1.983 ( 1.410 0.374 -1.802) 2.318 2.198 ( -6.040 -3.948 2.487) 7.632 2.583 ( 4.984 3.865 7.736) 9.981 2.967 ( 6.257 2.669 -1.907) 7.064 3.316 ( 3.242 -0.772 1.987) 3.880 3.367 ( -1.113 -3.253 7.471) 8.224 3.439 ( -3.261 -3.216 -11.990) 12.835 4.167 ( 8.084 2.616 -7.853) 11.570 4.278 ( 5.508 -3.165 -0.520) 6.374 4.481 ( -6.261 4.319 -6.824) 10.219 4.589 ( -8.522 -1.038 6.341) 10.673 4.901 ( 0.706 -0.151 3.567) 3.640 5.239 ( -4.797 1.414 0.320) 5.012 5.444 ( -1.518 -3.600 -1.549) 4.202 5.550 ( 1.195 0.103 -4.098) 4.270 5.741 ( 2.805 -2.572 2.026) 4.311 5.787 ( -14.180 1.369 -9.127) 16.918 6.320 ( 13.934 3.891 2.687) 14.715 6.394 ( -3.632 4.510 -7.239) 9.270 6.973 ( 5.041 -1.129 10.476) 11.681 7.103 ( -0.597 -3.721 11.850) 12.435 7.451 ( 3.770 3.546 9.622) 10.925 7.551 ( 6.482 5.021 4.032) 9.137 7.758 ( 4.202 -2.038 4.612) 6.564 7.866 ( -1.217 -6.437 6.493) 9.224 8.241 ( -9.638 3.552 1.788) 10.426 8.379 ( 4.872 -2.121 -7.079) 8.852 8.535 ( -0.780 -1.744 -2.542) 3.180 8.570 ( -4.228 3.648 0.025) 5.584 8.715 ( 2.448 -1.883 4.584) 5.527 9.165 ( 6.051 -12.195 -1.463) 13.692 9.425 ( -1.746 9.523 0.485) 9.694 9.878 ( 3.044 -2.354 0.593) 3.893 9.930 ( -6.558 -1.117 -4.937) 8.284 10.078 ( -0.140 0.807 0.501) 0.961 10.199 ( -0.801 1.905 -1.328) 2.456 11.272 ( -6.225 6.956 -15.068) 17.725 11.723 ( 9.260 -5.054 4.776) 11.580 12.115 ( -6.255 0.068 -3.210) 7.031 13.080 ( 0.030 -0.336 3.582) 3.597 13.561 ( -0.110 0.279 -3.149) 3.164======================= Grid point 408 (190/355) =======================q-point: ( 0.67 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 4.338 -0.000 4.674) 6.377 2.322 ( 14.525 -0.000 1.597) 14.613 2.429 ( 4.138 -0.000 6.622) 7.809 2.563 ( -10.654 0.000 -5.504) 11.991 2.604 ( -4.491 0.000 4.118) 6.093 2.994 ( 10.616 -0.000 13.658) 17.299 3.368 ( 6.667 -0.000 -11.622) 13.398 3.482 ( -7.255 0.000 -1.582) 7.426 3.805 ( 6.990 -0.000 -12.309) 14.156 4.014 ( 3.807 -0.000 -3.546) 5.203 4.677 ( 11.170 -0.000 6.412) 12.880 4.819 ( 1.463 -0.000 10.189) 10.294 4.876 ( -10.625 0.000 3.035) 11.050 5.118 ( 18.782 -0.000 -0.589) 18.791 5.274 ( 8.158 -0.000 -6.372) 10.352 5.693 ( -5.070 0.000 -8.452) 9.856 5.724 ( -14.196 0.000 -4.768) 14.976 5.938 ( 5.993 -0.000 7.251) 9.407 6.388 ( -13.733 0.000 -8.578) 16.192 6.510 ( 4.129 -0.000 8.646) 9.582 6.690 ( 3.169 -0.000 0.607) 3.226 7.020 ( 1.250 -0.000 9.943) 10.021 7.283 ( 3.733 -0.000 4.725) 6.022 7.313 ( 10.405 -0.000 16.515) 19.519 7.426 ( 2.431 -0.000 -2.123) 3.228 7.992 ( 2.149 -0.000 -3.338) 3.970 8.332 ( -5.500 0.000 -4.639) 7.195 8.379 ( 5.001 -0.000 2.284) 5.498 8.618 ( 1.456 -0.000 -3.759) 4.031 8.729 ( -0.341 0.000 6.183) 6.192 8.797 ( -10.510 0.000 -3.076) 10.951 8.865 ( 1.647 -0.000 -0.638) 1.766 9.545 ( 9.159 -0.000 4.158) 10.058 9.554 ( -2.109 0.000 -2.147) 3.010 10.006 ( -2.461 0.000 -0.514) 2.514 10.119 ( -0.667 0.000 2.262) 2.358 10.603 ( -10.540 0.000 -8.971) 13.841 11.176 ( 10.751 -0.000 3.591) 11.335 11.659 ( -6.646 0.000 -7.707) 10.177 12.397 ( -6.191 0.000 -0.045) 6.191 13.072 ( 1.048 -0.000 2.304) 2.531 13.611 ( -3.057 0.000 -5.730) 6.494======================= Grid point 410 (191/355) =======================q-point: (-0.25 0.67 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 6.798 -0.676 1.337) 6.962 2.266 ( -15.686 4.040 -3.859) 16.651 2.313 ( -10.665 -2.694 1.044) 11.049 2.528 ( 5.024 1.549 9.899) 11.208 2.769 ( 15.561 0.778 -2.244) 15.742 3.189 ( 7.403 -1.092 12.092) 14.220 3.374 ( -4.258 -1.070 -0.066) 4.391 3.451 ( 2.107 -0.313 -14.413) 14.570 3.989 ( 12.786 -0.138 -7.367) 14.757 4.081 ( 4.656 -1.758 -6.663) 8.317 4.678 ( -8.431 0.260 10.469) 13.444 4.753 ( -6.724 1.746 -2.605) 7.420 4.861 ( 4.140 -0.482 3.803) 5.642 5.388 ( 4.738 0.010 -3.730) 6.030 5.417 ( 5.339 -1.082 2.709) 6.084 5.441 ( -7.684 0.115 -4.058) 8.690 5.673 ( 1.418 -0.394 -4.491) 4.727 6.078 ( -4.886 0.364 -7.887) 9.285 6.127 ( 1.029 1.296 3.032) 3.455 6.507 ( -2.995 0.693 -2.427) 3.917 6.820 ( 7.861 -0.672 8.563) 11.644 7.051 ( 0.560 -1.241 10.946) 11.030 7.370 ( 5.021 0.174 5.350) 7.340 7.503 ( 7.845 4.543 9.453) 13.097 7.540 ( 9.698 -2.528 13.383) 16.720 7.932 ( -8.308 -2.273 -4.941) 9.930 8.292 ( 2.278 0.076 -6.140) 6.549 8.458 ( 1.634 1.424 -1.351) 2.554 8.558 ( -10.699 2.667 -1.527) 11.132 8.650 ( 2.316 -0.223 0.518) 2.384 8.691 ( -5.077 -1.836 4.319) 6.914 8.925 ( 3.627 -4.745 -2.570) 6.501 9.535 ( 0.689 3.471 1.173) 3.728 9.729 ( 8.344 -1.760 3.206) 9.110 9.962 ( -2.051 -0.528 -2.911) 3.600 10.101 ( -1.252 0.095 1.046) 1.635 10.391 ( -10.091 2.260 -7.278) 12.645 11.371 ( 7.110 -0.946 -4.823) 8.643 11.551 ( -2.101 -0.059 -2.315) 3.127 12.259 ( -7.628 0.469 -1.628) 7.814 13.078 ( -0.324 -0.050 2.909) 2.927 13.574 ( -0.705 0.230 -3.616) 3.691======================= Grid point 411 (192/355) =======================q-point: (-0.17 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( -7.049 -0.793 -3.547) 7.930 1.994 ( -0.884 1.600 -2.137) 2.812 2.155 ( -7.935 -3.835 2.111) 9.062 2.615 ( 4.625 2.164 8.138) 9.607 2.998 ( 7.202 2.932 -1.700) 7.960 3.296 ( 1.943 -2.497 3.422) 4.660 3.340 ( -0.187 -1.836 7.267) 7.497 3.413 ( -3.783 -1.793 -12.658) 13.333 4.195 ( 10.556 2.600 -6.152) 12.491 4.250 ( 8.776 -2.334 -1.801) 9.258 4.521 ( -7.778 3.206 -0.217) 8.416 4.577 ( -9.758 -1.139 -0.963) 9.871 4.899 ( -0.002 -0.154 3.024) 3.028 5.250 ( -4.793 0.600 1.082) 4.950 5.416 ( -1.548 -1.766 -2.736) 3.606 5.550 ( 1.519 -0.120 -3.757) 4.054 5.719 ( 2.413 -1.498 1.996) 3.471 5.800 ( -14.354 1.009 -8.395) 16.659 6.354 ( 14.337 2.480 3.010) 14.858 6.428 ( -3.313 2.111 -8.043) 8.951 6.965 ( 5.887 -0.498 10.055) 11.662 7.071 ( -0.470 -2.301 12.220) 12.444 7.474 ( 5.160 1.215 7.090) 8.853 7.618 ( 5.256 7.529 6.468) 11.232 7.744 ( 3.531 -0.730 5.792) 6.822 7.791 ( -0.604 -7.763 7.057) 10.509 8.275 ( -12.245 2.674 -0.069) 12.533 8.358 ( 3.903 -1.588 -6.550) 7.788 8.523 ( 0.143 -0.574 -2.972) 3.031 8.581 ( -5.298 -0.941 3.293) 6.308 8.724 ( 5.259 2.783 3.462) 6.884 9.056 ( 6.866 -8.208 -3.242) 11.181 9.509 ( -1.667 6.327 0.400) 6.555 9.843 ( 0.318 -3.672 -0.371) 3.704 9.924 ( -2.394 -0.186 -2.766) 3.662 10.085 ( -0.067 0.468 0.539) 0.717 10.222 ( -4.052 1.966 -2.895) 5.354 11.328 ( -5.616 3.730 -15.440) 16.848 11.681 ( 10.266 -3.009 5.724) 12.133 12.115 ( -7.008 -0.049 -3.022) 7.632 13.077 ( -0.014 -0.186 3.560) 3.565 13.563 ( -0.276 0.165 -3.129) 3.146======================= Grid point 412 (193/355) =======================q-point: (-0.08 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -15.639 -5.004 0.334) 16.423 2.011 ( -7.110 -5.132 -0.143) 8.770 2.188 ( 11.251 -1.896 -5.439) 12.640 2.701 ( 4.998 1.923 6.459) 8.390 2.935 ( -11.062 2.746 -1.097) 11.451 3.311 ( 1.462 -1.634 -1.517) 2.666 3.340 ( -3.084 -0.073 8.954) 9.471 3.425 ( 2.766 -3.335 -1.233) 4.505 4.161 ( -12.737 7.679 -10.218) 18.045 4.371 ( 8.198 3.404 -3.586) 9.574 4.392 ( -11.910 -2.054 6.500) 13.723 4.513 ( 5.911 -1.981 -2.081) 6.572 4.912 ( 1.892 -1.062 -0.157) 2.175 5.259 ( 2.497 2.200 -0.079) 3.329 5.367 ( -3.200 -3.812 -0.326) 4.988 5.477 ( -7.004 0.644 -4.841) 8.538 5.539 ( -11.079 0.478 -7.740) 13.523 5.760 ( -0.215 -2.925 4.145) 5.078 6.370 ( 0.377 3.949 -9.977) 10.737 6.612 ( 13.605 3.687 3.692) 14.572 7.054 ( 2.266 0.716 10.914) 11.170 7.093 ( 0.768 -2.509 11.614) 11.907 7.493 ( -3.701 2.334 0.854) 4.458 7.618 ( 0.339 -3.717 -1.468) 4.011 7.781 ( 4.491 6.987 7.240) 11.018 7.965 ( 5.072 -3.007 13.348) 14.592 8.065 ( -7.541 -2.334 5.452) 9.594 8.381 ( -4.649 -4.276 -1.163) 6.423 8.503 ( 4.589 2.187 -4.033) 6.489 8.598 ( 2.784 -2.714 -0.769) 3.963 8.815 ( 6.270 6.065 5.047) 10.078 9.251 ( 8.634 -9.001 -2.858) 12.796 9.401 ( -5.594 6.740 -1.891) 8.961 9.713 ( -11.702 -0.293 -6.749) 13.512 9.920 ( 0.481 -1.489 0.723) 1.723 10.051 ( -2.932 0.803 0.866) 3.161 10.268 ( 6.621 -2.103 0.896) 7.004 11.180 ( -5.401 5.495 -15.103) 16.955 11.891 ( 9.364 -1.896 4.292) 10.474 11.996 ( -5.271 -1.492 -4.714) 7.227 13.087 ( 0.538 -0.173 3.618) 3.662 13.552 ( -0.606 -0.219 -3.431) 3.491======================= Grid point 422 (194/355) =======================q-point: (-0.25 -0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -6.605 0.000 -3.839) 7.640 2.006 ( -1.816 0.000 -2.463) 3.060 2.132 ( -8.820 0.000 2.159) 9.080 2.626 ( 4.390 -0.000 8.268) 9.361 3.016 ( 7.930 -0.000 -1.628) 8.095 3.280 ( 1.170 -0.000 3.694) 3.875 3.331 ( 0.346 -0.000 7.731) 7.739 3.403 ( -4.051 0.000 -13.186) 13.794 4.214 ( 10.495 -0.000 -6.862) 12.539 4.232 ( 10.591 -0.000 -0.940) 10.632 4.541 ( -7.835 0.000 11.769) 14.139 4.569 ( -10.431 0.000 -13.216) 16.837 4.898 ( -0.219 0.000 2.858) 2.866 5.252 ( -4.792 0.000 1.418) 4.997 5.407 ( -1.608 0.000 -3.241) 3.618 5.549 ( 1.624 -0.000 -3.683) 4.025 5.711 ( 2.249 -0.000 2.035) 3.033 5.806 ( -14.405 0.000 -8.094) 16.523 6.367 ( 14.464 -0.000 3.117) 14.796 6.439 ( -3.151 0.000 -8.315) 8.892 6.962 ( 6.273 -0.000 9.787) 11.625 7.059 ( -0.491 0.000 12.493) 12.503 7.480 ( 5.778 -0.000 6.201) 8.475 7.687 ( 8.978 -0.000 9.084) 12.772 7.721 ( -7.121 0.000 1.629) 7.305 7.741 ( 5.829 -0.000 10.081) 11.645 8.290 ( -13.317 0.000 -0.971) 13.352 8.350 ( 3.223 -0.000 -6.491) 7.247 8.521 ( 1.401 -0.000 -3.257) 3.546 8.573 ( -6.212 0.000 4.672) 7.773 8.744 ( 6.361 -0.000 4.141) 7.590 9.010 ( 7.008 -0.000 -4.698) 8.437 9.544 ( -1.627 0.000 0.261) 1.648 9.820 ( -0.298 0.000 -0.419) 0.514 9.923 ( -1.381 0.000 -2.158) 2.562 10.087 ( -0.058 0.000 0.568) 0.571 10.233 ( -5.079 0.000 -3.544) 6.193 11.348 ( -5.419 0.000 -15.585) 16.501 11.665 ( 10.657 -0.000 6.102) 12.281 12.115 ( -7.282 0.000 -2.946) 7.855 13.076 ( -0.031 0.000 3.553) 3.553 13.564 ( -0.336 0.000 -3.123) 3.141======================= Grid point 423 (195/355) =======================q-point: (-0.17 -0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -17.918 -1.562 -0.643) 17.997 1.972 ( -9.048 -2.136 -0.294) 9.301 2.175 ( 12.468 -0.630 -6.039) 13.868 2.711 ( 3.825 0.358 5.842) 6.992 2.963 ( -11.382 1.769 -0.445) 11.527 3.298 ( 1.700 -0.700 1.662) 2.479 3.341 ( -1.668 0.136 10.202) 10.338 3.396 ( 3.128 -1.793 -4.788) 5.993 4.222 ( -11.076 3.619 -8.619) 14.494 4.345 ( -8.156 -2.859 6.828) 11.014 4.438 ( 3.740 5.460 -3.907) 7.685 4.486 ( 5.951 -3.487 -3.524) 7.745 4.904 ( 1.762 -0.405 -0.880) 2.011 5.280 ( 4.797 1.617 1.782) 5.367 5.335 ( -4.975 -2.151 -3.017) 6.203 5.480 ( -6.317 0.098 -4.326) 7.657 5.544 ( -12.199 0.290 -7.544) 14.346 5.738 ( -0.654 -1.153 4.507) 4.698 6.399 ( 0.673 1.423 -11.081) 11.192 6.638 ( 13.544 1.358 4.120) 14.222 7.060 ( 1.191 0.483 13.007) 13.070 7.073 ( 2.837 -1.082 10.045) 10.494 7.512 ( -8.241 1.161 -7.550) 11.237 7.587 ( 2.711 -1.922 5.260) 6.221 7.850 ( 7.891 5.084 10.011) 13.724 7.935 ( 7.489 -2.494 16.676) 18.450 8.045 ( -11.803 -1.330 1.620) 11.988 8.343 ( -4.286 -2.209 -1.678) 5.105 8.528 ( 3.112 2.241 -0.954) 3.952 8.566 ( 2.759 -2.767 -1.782) 4.295 8.874 ( 7.836 3.975 6.638) 11.012 9.176 ( 9.429 -4.463 -5.927) 11.998 9.452 ( -7.060 2.716 -3.349) 8.272 9.708 ( -9.912 -0.511 -5.637) 11.414 9.909 ( -0.158 -0.504 0.702) 0.879 10.056 ( -3.228 0.250 0.942) 3.372 10.255 ( 5.894 -0.584 0.898) 5.991 11.218 ( -5.706 1.875 -15.719) 16.827 11.878 ( 10.573 -0.648 4.366) 11.457 11.984 ( -6.197 -0.611 -4.156) 7.486 13.086 ( 0.665 -0.061 3.673) 3.733 13.550 ( -0.883 -0.077 -3.363) 3.478======================= Grid point 424 (196/355) =======================q-point: (-0.08 -0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( -14.209 -8.461 4.963) 17.266 1.788 ( -12.937 -5.515 -1.861) 14.186 2.392 ( 9.725 -0.382 -7.485) 12.278 2.646 ( -14.668 -0.961 -0.650) 14.714 2.825 ( 3.329 2.626 6.598) 7.843 3.263 ( -7.071 1.996 8.235) 11.036 3.375 ( 4.310 -0.770 1.171) 4.533 3.408 ( -3.954 -2.358 4.692) 6.573 3.948 ( -11.429 8.087 -9.996) 17.203 4.128 ( -13.205 -4.375 6.521) 15.364 4.455 ( 0.447 2.232 -2.453) 3.346 4.664 ( 8.488 0.219 -1.243) 8.581 4.972 ( 4.106 -0.953 -3.995) 5.808 5.141 ( -17.173 1.204 -0.462) 17.222 5.190 ( -8.791 -0.279 -4.158) 9.728 5.339 ( -6.978 0.299 -7.766) 10.445 5.595 ( 12.062 -0.841 1.030) 12.135 5.719 ( -0.312 -3.016 3.493) 4.625 6.435 ( 5.159 2.850 -10.453) 12.001 6.841 ( 7.379 2.024 5.346) 9.334 7.104 ( 2.726 0.359 14.274) 14.536 7.122 ( 1.067 0.441 7.263) 7.354 7.398 ( -2.243 -2.208 -8.035) 8.629 7.614 ( -1.806 -0.501 4.682) 5.043 7.790 ( -9.101 2.791 2.069) 9.742 7.987 ( 0.742 2.061 7.562) 7.873 8.045 ( 1.803 -0.894 8.645) 8.876 8.334 ( 3.540 -4.103 10.186) 11.538 8.603 ( 4.434 0.541 -4.614) 6.422 8.641 ( 3.268 -3.107 -1.474) 4.744 9.011 ( 9.022 9.090 6.704) 14.456 9.240 ( -9.736 -1.141 -7.280) 12.210 9.405 ( 7.652 -1.841 -1.921) 8.101 9.506 ( -7.959 -0.061 -5.928) 9.924 9.910 ( -0.743 -1.023 1.026) 1.628 9.992 ( -3.378 -0.062 0.476) 3.412 10.394 ( 7.322 -1.732 2.722) 8.001 11.104 ( -3.241 2.199 -15.092) 15.592 11.873 ( -5.414 -1.336 -4.904) 7.426 12.075 ( 9.155 -0.596 2.842) 9.605 13.099 ( 0.076 0.400 3.063) 3.090 13.527 ( -1.311 -1.085 -4.117) 4.454======================= Grid point 435 (197/355) =======================q-point: (-0.17 -0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -15.962 0.000 4.385) 16.553 1.759 ( -13.087 0.000 -1.804) 13.211 2.390 ( 9.915 -0.000 -7.858) 12.651 2.640 ( -14.026 0.000 -0.573) 14.038 2.840 ( 2.223 -0.000 6.409) 6.783 3.275 ( -6.642 0.000 8.363) 10.680 3.371 ( 5.831 -0.000 2.666) 6.411 3.394 ( -5.340 0.000 3.750) 6.525 4.001 ( -10.496 0.000 -12.344) 16.203 4.095 ( -13.820 0.000 9.569) 16.810 4.468 ( -0.131 0.000 -2.737) 2.740 4.665 ( 8.784 -0.000 -1.363) 8.889 4.967 ( 4.080 -0.000 -4.212) 5.864 5.146 ( -18.180 0.000 0.712) 18.194 5.190 ( -7.272 0.000 -6.197) 9.554 5.341 ( -7.446 0.000 -7.714) 10.721 5.591 ( 12.281 -0.000 1.018) 12.323 5.702 ( -0.444 0.000 3.812) 3.838 6.451 ( 5.103 -0.000 -11.141) 12.254 6.851 ( 7.018 -0.000 5.387) 8.847 7.102 ( 3.042 -0.000 15.114) 15.417 7.130 ( 1.176 -0.000 7.299) 7.393 7.385 ( -2.048 0.000 -10.381) 10.581 7.612 ( -1.792 0.000 6.467) 6.710 7.804 ( -10.978 0.000 2.222) 11.200 8.000 ( -3.287 0.000 6.365) 7.164 8.041 ( 8.124 -0.000 10.145) 12.997 8.308 ( 3.621 -0.000 10.949) 11.532 8.614 ( 4.333 -0.000 -1.932) 4.744 8.616 ( 2.919 -0.000 -4.252) 5.158 9.067 ( 10.491 -0.000 10.742) 15.015 9.227 ( -10.304 0.000 -10.641) 14.813 9.394 ( 9.395 -0.000 -3.558) 10.046 9.507 ( -10.083 0.000 -5.965) 11.716 9.904 ( -0.521 0.000 1.595) 1.678 9.991 ( -3.536 0.000 0.376) 3.556 10.385 ( 7.395 -0.000 3.063) 8.004 11.115 ( -3.956 0.000 -15.893) 16.378 11.866 ( -5.643 0.000 -4.961) 7.513 12.072 ( 9.497 -0.000 3.213) 10.026 13.101 ( 0.328 -0.000 3.085) 3.103 13.521 ( -1.757 0.000 -3.946) 4.320======================= Grid point 436 (198/355) =======================q-point: (-0.08 -0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -10.830 -8.164 11.813) 17.986 1.470 ( -17.694 -2.952 1.382) 17.992 2.376 ( -12.297 0.981 3.079) 12.714 2.513 ( 3.266 -0.880 -5.456) 6.420 2.904 ( 2.705 0.487 4.107) 4.942 3.083 ( -13.887 2.710 2.449) 14.360 3.145 ( -20.467 -1.964 13.854) 24.793 3.522 ( 9.080 -0.726 1.532) 9.237 3.837 ( -3.811 7.042 -6.554) 10.348 3.912 ( -7.388 -4.863 -0.260) 8.849 4.450 ( -1.954 0.812 -0.918) 2.306 4.733 ( -16.774 2.451 2.317) 17.110 4.759 ( -6.281 -2.211 3.222) 7.398 4.948 ( -6.471 -0.699 -6.193) 8.984 5.110 ( 0.741 0.907 -10.871) 10.934 5.317 ( 5.911 -0.486 -3.781) 7.034 5.623 ( -1.608 -1.220 3.257) 3.832 5.926 ( 15.382 -0.543 2.199) 15.548 6.551 ( 6.354 1.136 -9.887) 11.808 6.896 ( -1.350 0.180 1.588) 2.092 7.124 ( -1.897 0.938 5.993) 6.356 7.211 ( 6.968 0.064 12.689) 14.477 7.429 ( 4.801 1.672 -2.963) 5.885 7.511 ( -7.669 -2.310 0.677) 8.038 7.649 ( -6.221 0.083 5.927) 8.593 7.872 ( -8.361 -0.681 -2.215) 8.676 8.184 ( 6.848 3.922 8.966) 11.945 8.452 ( 7.385 0.807 14.473) 16.268 8.646 ( 0.872 -2.913 -3.632) 4.737 8.669 ( 0.076 -1.703 -1.899) 2.552 8.972 ( -12.308 1.191 -9.425) 15.548 9.266 ( 5.483 2.754 7.935) 10.030 9.350 ( -1.240 0.493 -1.594) 2.079 9.615 ( 11.944 -0.391 -4.093) 12.631 9.882 ( -2.100 -0.009 0.351) 2.129 9.931 ( -2.649 -0.400 -0.264) 2.692 10.536 ( 7.887 0.305 6.062) 9.952 11.052 ( -1.062 -1.542 -14.961) 15.078 11.760 ( -5.402 -0.892 -5.585) 7.821 12.240 ( 7.972 0.249 2.138) 8.257 13.093 ( -1.516 1.084 2.121) 2.823 13.485 ( -1.835 -2.040 -4.997) 5.701======================= Grid point 448 (199/355) =======================q-point: (-0.08 -0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( -4.038 0.000 20.411) 20.807 1.146 ( -14.069 0.000 13.242) 19.321 2.192 ( -9.025 0.000 7.227) 11.562 2.499 ( -4.916 0.000 2.255) 5.408 2.631 ( -27.474 0.000 23.707) 36.289 2.844 ( -10.310 0.000 -8.209) 13.179 2.996 ( 2.800 -0.000 -0.996) 2.972 3.680 ( 6.204 -0.000 3.917) 7.337 3.733 ( -9.029 0.000 -2.787) 9.450 3.851 ( 0.156 -0.000 -11.344) 11.345 4.250 ( -17.339 0.000 1.048) 17.371 4.493 ( -2.291 0.000 3.863) 4.492 4.676 ( -6.959 0.000 4.924) 8.525 4.839 ( -2.825 0.000 -5.784) 6.437 5.138 ( 2.566 -0.000 -10.632) 10.937 5.487 ( 10.714 -0.000 0.919) 10.753 5.627 ( 2.184 -0.000 2.379) 3.229 6.191 ( 11.924 -0.000 2.477) 12.178 6.651 ( 4.472 -0.000 -8.457) 9.567 6.860 ( -1.537 0.000 -1.387) 2.071 7.078 ( -3.208 0.000 4.615) 5.620 7.328 ( -9.049 0.000 -1.636) 9.196 7.353 ( 5.159 -0.000 3.856) 6.441 7.526 ( -1.649 0.000 2.952) 3.381 7.526 ( -5.335 0.000 5.804) 7.883 7.750 ( -1.407 0.000 -5.582) 5.757 8.327 ( 6.449 -0.000 6.327) 9.034 8.505 ( -13.306 0.000 -6.681) 14.889 8.594 ( -3.225 0.000 -4.052) 5.179 8.678 ( 9.947 -0.000 13.737) 16.961 8.842 ( -0.181 0.000 1.473) 1.484 9.193 ( -6.066 0.000 -1.730) 6.308 9.497 ( 6.809 -0.000 6.866) 9.670 9.829 ( -3.051 0.000 -0.299) 3.066 9.839 ( 10.845 -0.000 -3.054) 11.267 9.905 ( 0.726 -0.000 -0.424) 0.841 10.707 ( 8.438 -0.000 10.981) 13.848 11.022 ( 0.327 -0.000 -14.877) 14.880 11.658 ( -4.162 0.000 -5.293) 6.733 12.377 ( 6.021 -0.000 0.578) 6.049 13.055 ( -2.908 0.000 1.305) 3.188 13.435 ( -1.825 0.000 -5.871) 6.148======================= Grid point 449 (200/355) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 8.644 -0.000 24.958) 26.412 1.720 ( -6.294 0.000 23.314) 24.149 2.292 ( 14.145 -0.000 15.595) 21.054 2.461 ( 1.585 -0.000 7.947) 8.104 2.477 ( -1.270 0.000 24.410) 24.443 2.607 ( 4.907 -0.000 -6.170) 7.883 2.815 ( -5.845 0.000 -5.533) 8.049 3.180 ( -7.747 0.000 -18.206) 19.786 3.196 ( -8.960 0.000 -13.506) 16.208 3.828 ( 0.848 -0.000 -5.635) 5.698 4.163 ( 2.523 -0.000 0.849) 2.662 4.415 ( -7.048 0.000 -1.228) 7.154 4.651 ( 6.119 -0.000 2.811) 6.734 4.778 ( 3.626 -0.000 -3.742) 5.210 5.513 ( 14.084 -0.000 9.568) 17.026 5.805 ( 1.075 -0.000 2.010) 2.280 5.900 ( 6.428 -0.000 3.148) 7.158 6.397 ( -6.795 0.000 -9.100) 11.357 6.581 ( 0.029 -0.000 -5.323) 5.323 6.674 ( -9.130 0.000 -3.540) 9.792 6.793 ( -1.456 0.000 -0.489) 1.536 6.989 ( -9.480 0.000 -3.831) 10.225 7.068 ( -4.326 0.000 3.136) 5.343 7.294 ( -1.774 0.000 -4.437) 4.778 7.528 ( -2.505 0.000 13.100) 13.338 7.950 ( 7.855 -0.000 0.814) 7.897 8.212 ( -1.443 0.000 5.881) 6.056 8.450 ( -0.070 0.000 -2.601) 2.602 8.683 ( -2.855 0.000 -0.234) 2.865 8.745 ( 7.010 -0.000 7.025) 9.925 8.880 ( -3.450 0.000 -2.200) 4.092 9.205 ( -2.937 0.000 -5.289) 6.050 9.544 ( -8.050 0.000 3.517) 8.785 9.816 ( 3.213 -0.000 -0.313) 3.228 10.113 ( 6.133 -0.000 1.848) 6.405 10.194 ( 5.125 -0.000 0.750) 5.180 10.829 ( -13.010 0.000 1.471) 13.093 10.895 ( 9.855 -0.000 -9.067) 13.391 11.877 ( 12.528 -0.000 8.050) 14.892 12.339 ( -7.085 0.000 -5.400) 8.908 13.006 ( 0.195 -0.000 1.062) 1.079 13.246 ( 0.283 -0.000 -7.489) 7.494======================= Grid point 450 (201/355) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -7.356 1.694 20.699) 22.032 1.656 ( 10.388 -3.090 23.414) 25.800 2.396 ( -0.052 7.165 8.264) 10.938 2.543 ( 1.443 -6.471 -1.299) 6.756 2.695 ( 3.366 4.785 1.692) 6.090 2.741 ( 3.401 -3.828 0.397) 5.136 2.848 ( 27.151 -4.440 30.499) 41.074 3.020 ( -4.094 7.141 -19.152) 20.846 3.104 ( -1.579 -6.628 -16.457) 17.811 3.936 ( 10.409 -0.056 -8.003) 13.130 4.164 ( -1.134 0.113 4.525) 4.666 4.326 ( -1.818 -0.058 -2.477) 3.073 4.791 ( 7.479 -0.701 2.979) 8.081 4.864 ( 5.647 0.228 -6.300) 8.463 5.721 ( 3.908 2.330 5.264) 6.958 5.810 ( -0.272 -0.981 -1.767) 2.039 5.997 ( 2.877 0.118 5.767) 6.446 6.143 ( -15.756 -0.485 -17.155) 23.298 6.448 ( -10.174 -1.465 2.289) 10.531 6.558 ( -1.891 -0.776 1.451) 2.506 6.848 ( -5.603 -0.003 -4.679) 7.300 6.879 ( 7.971 -0.057 7.665) 11.059 7.005 ( -2.675 0.030 1.349) 2.996 7.308 ( 2.471 0.845 -0.187) 2.618 7.510 ( -0.977 0.308 10.638) 10.687 8.093 ( 6.049 -0.018 -0.563) 6.075 8.213 ( 1.832 0.733 6.702) 6.986 8.429 ( -1.460 4.287 -1.096) 4.659 8.664 ( 1.280 1.190 0.948) 1.988 8.797 ( 2.801 1.233 -0.315) 3.076 8.959 ( 7.645 -0.081 8.255) 11.252 9.104 ( -6.848 -2.033 -8.623) 11.197 9.359 ( -11.080 0.073 0.985) 11.123 9.815 ( -3.329 0.053 0.933) 3.458 10.204 ( 3.208 0.938 0.855) 3.450 10.269 ( 2.827 0.746 -5.512) 6.239 10.556 ( -13.888 0.745 0.223) 13.910 11.103 ( 11.333 0.314 -5.342) 12.532 12.082 ( 3.596 2.555 4.634) 6.398 12.154 ( -8.087 -5.584 -4.891) 10.978 13.025 ( 2.433 2.551 1.587) 3.866 13.276 ( 2.015 -4.466 -7.669) 9.100======================= Grid point 451 (202/355) =======================q-point: ( 0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 0.939 0.325 13.028) 13.066 1.918 ( 12.651 -4.333 19.914) 23.987 2.342 ( -1.630 5.360 7.194) 9.118 2.516 ( -7.213 -7.809 -5.539) 11.987 2.693 ( 0.098 6.441 0.149) 6.444 2.911 ( 6.180 -0.146 -9.286) 11.156 2.964 ( 8.015 -1.740 -3.928) 9.094 3.135 ( 2.820 -4.407 -7.290) 8.973 3.471 ( 29.010 -3.329 23.537) 37.506 3.986 ( -4.627 0.616 -6.715) 8.178 4.338 ( 8.138 1.543 -2.305) 8.598 4.349 ( 15.739 0.217 2.335) 15.913 4.920 ( 4.976 -0.056 3.973) 6.367 4.974 ( 7.328 1.612 -8.952) 11.681 5.581 ( -13.848 5.305 1.219) 14.879 5.745 ( -9.220 0.881 -11.495) 14.762 5.863 ( -9.461 -4.751 -11.374) 15.539 6.041 ( 1.085 -0.938 6.392) 6.551 6.426 ( 2.441 -1.576 3.273) 4.377 6.524 ( -2.528 -1.708 5.516) 6.303 6.749 ( -3.106 0.429 -0.786) 3.232 6.979 ( -0.075 -1.524 1.482) 2.128 7.078 ( 11.579 -0.311 11.643) 16.424 7.357 ( 3.175 1.806 4.072) 5.470 7.490 ( -1.865 1.283 5.356) 5.814 8.133 ( -0.963 -2.291 0.595) 2.556 8.303 ( 5.825 4.588 2.880) 7.955 8.365 ( -1.314 4.948 1.439) 5.318 8.711 ( 3.975 1.920 2.780) 5.217 8.873 ( 2.957 3.365 1.016) 4.593 8.975 ( -5.415 -0.653 -8.062) 9.734 9.077 ( 1.416 1.636 9.856) 10.090 9.189 ( -3.217 -3.935 -3.464) 6.151 9.724 ( -5.335 -0.103 0.559) 5.365 10.175 ( -6.006 4.852 -6.750) 10.256 10.282 ( 0.056 1.145 1.281) 1.719 10.357 ( -7.464 -7.131 -3.369) 10.859 11.291 ( 10.027 5.119 -3.517) 11.795 11.843 ( -15.413 -0.352 -7.957) 17.349 12.248 ( 3.021 -5.958 3.985) 7.778 13.070 ( 3.137 2.083 2.328) 4.427 13.339 ( 2.667 -4.373 -7.178) 8.818======================= Grid point 452 (203/355) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.585 ( 5.794 -0.342 3.882) 6.982 2.178 ( 9.284 -3.295 8.909) 13.282 2.342 ( 1.914 -3.772 10.247) 11.086 2.396 ( -6.464 -5.214 -1.178) 8.388 2.633 ( -1.254 8.177 -2.759) 8.721 3.022 ( 7.048 -0.485 -8.524) 11.071 3.173 ( 5.035 -8.371 -11.753) 15.283 3.205 ( 5.981 -0.416 9.904) 11.577 3.850 ( 2.617 6.285 0.238) 6.812 4.010 ( 14.465 -1.718 9.278) 17.270 4.443 ( 8.554 1.108 -2.474) 8.973 4.755 ( 21.386 1.672 -0.643) 21.461 4.952 ( -3.505 -1.483 3.647) 5.271 5.110 ( 9.401 4.000 -11.073) 15.066 5.271 ( -15.313 1.525 6.306) 16.631 5.543 ( -5.378 1.313 -16.310) 17.224 5.756 ( -6.423 -4.042 -7.021) 10.339 6.070 ( 1.112 1.155 7.655) 7.821 6.353 ( -10.159 -1.518 -8.062) 13.058 6.505 ( -2.715 -5.397 8.698) 10.590 6.801 ( 8.147 3.216 9.833) 13.168 7.038 ( 4.617 -4.203 4.539) 7.719 7.319 ( 11.298 -0.204 12.677) 16.982 7.413 ( 1.412 2.801 4.736) 5.681 7.442 ( 0.848 2.811 2.604) 3.925 8.114 ( -2.758 -3.658 -0.429) 4.602 8.303 ( 1.119 9.347 2.177) 9.663 8.378 ( 0.205 -0.027 0.587) 0.622 8.760 ( -6.309 4.752 -4.578) 9.129 8.781 ( 1.363 1.132 4.848) 5.162 8.900 ( -4.437 -0.314 1.346) 4.647 9.116 ( 6.184 5.186 -3.622) 8.846 9.257 ( 3.272 -4.735 4.215) 7.134 9.654 ( -1.454 -0.767 1.290) 2.090 10.008 ( -6.939 0.636 -6.531) 9.551 10.244 ( -4.300 0.171 1.494) 4.555 10.297 ( -3.023 -5.198 -4.876) 7.742 11.379 ( -0.525 6.116 -8.151) 10.204 11.599 ( -6.259 -1.556 -4.102) 7.644 12.293 ( -1.527 -5.576 1.485) 5.969 13.117 ( 2.279 1.071 3.107) 3.999 13.402 ( 2.548 -2.650 -6.041) 7.072======================= Grid point 453 (204/355) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.701 ( 5.750 -0.056 0.272) 5.757 2.217 ( -7.370 -7.746 -6.270) 12.395 2.353 ( 1.667 -1.601 2.913) 3.718 2.491 ( 4.464 -4.061 10.087) 11.755 2.619 ( 5.933 5.987 6.427) 10.600 3.123 ( 1.943 -1.141 -9.045) 9.321 3.200 ( 2.183 -4.024 3.159) 5.562 3.400 ( 8.645 -3.040 -4.335) 10.137 3.887 ( 6.742 7.378 0.601) 10.013 4.163 ( 2.906 8.206 -2.892) 9.173 4.652 ( 10.190 -2.024 3.286) 10.897 4.802 ( -11.739 -4.146 -4.136) 13.119 5.006 ( -6.589 1.401 4.531) 8.118 5.108 ( 12.523 0.052 -0.290) 12.527 5.293 ( 10.273 2.601 -4.781) 11.626 5.534 ( 5.186 2.797 -9.983) 11.592 5.618 ( -9.477 -3.513 -3.835) 10.810 6.084 ( -0.271 3.330 5.484) 6.422 6.118 ( -12.476 -2.994 -8.067) 15.156 6.486 ( -3.939 -7.012 9.017) 12.082 6.964 ( 9.139 3.916 11.229) 14.998 7.188 ( 7.168 -5.082 7.940) 11.843 7.351 ( -1.055 2.861 -2.861) 4.182 7.473 ( 4.822 3.827 10.570) 12.232 7.603 ( 11.660 0.007 11.279) 16.223 8.056 ( -5.440 -4.274 -3.515) 7.760 8.286 ( 1.542 8.434 1.208) 8.658 8.355 ( -2.195 -1.565 1.578) 3.124 8.613 ( -5.755 2.038 -1.707) 6.339 8.739 ( -5.459 1.025 -5.830) 8.053 8.873 ( 1.359 3.766 7.717) 8.694 9.173 ( 3.272 7.111 -7.215) 10.646 9.333 ( 1.509 -5.747 5.839) 8.330 9.694 ( 4.417 -1.630 3.119) 5.647 9.935 ( 0.233 0.477 -4.364) 4.396 10.140 ( -6.884 -2.366 -3.934) 8.274 10.258 ( -3.133 -2.617 -0.206) 4.087 11.201 ( -11.181 -1.934 -14.768) 18.624 11.629 ( 6.015 4.569 1.657) 7.733 12.257 ( -4.778 -4.298 -0.752) 6.470 13.148 ( 1.058 0.520 4.029) 4.198 13.449 ( 1.829 -1.321 -5.113) 5.588======================= Grid point 454 (205/355) =======================q-point: ( 0.42 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 5.286 1.350 0.757) 5.508 2.079 ( -8.921 -2.869 -2.654) 9.740 2.352 ( -2.694 -1.607 -1.061) 3.312 2.578 ( 2.891 -2.472 8.578) 9.384 2.772 ( 9.931 1.508 5.093) 11.262 3.147 ( 1.450 -3.518 -6.984) 7.953 3.294 ( 4.065 -1.440 -2.677) 5.076 3.526 ( 4.672 1.640 -1.109) 5.074 3.965 ( 1.552 4.234 -2.679) 5.246 4.184 ( 8.745 7.880 -1.463) 11.862 4.523 ( -13.487 -2.343 -3.989) 14.258 4.851 ( -0.100 -2.838 4.752) 5.535 4.914 ( 1.006 -0.260 5.694) 5.788 5.266 ( -0.261 -1.216 -6.522) 6.640 5.426 ( 4.209 1.340 -3.299) 5.513 5.490 ( -0.707 0.402 0.846) 1.173 5.636 ( 6.857 3.470 -5.892) 9.683 5.844 ( -13.593 -1.943 -10.188) 17.099 6.145 ( 5.047 -0.740 6.226) 8.049 6.429 ( -6.438 -5.876 6.225) 10.711 7.104 ( 6.270 3.522 10.845) 13.013 7.307 ( 3.199 1.742 4.601) 5.868 7.401 ( 6.191 -3.720 1.592) 7.396 7.546 ( 3.313 1.833 12.293) 12.863 7.804 ( 5.739 0.483 7.793) 9.690 7.976 ( -1.530 -3.131 -2.467) 4.270 8.265 ( -0.156 5.679 -1.919) 5.996 8.330 ( -1.600 -2.302 3.200) 4.254 8.528 ( -1.647 2.672 -3.010) 4.349 8.602 ( -8.043 -1.839 -3.737) 9.058 8.886 ( 1.694 5.948 7.675) 9.856 9.172 ( 2.086 6.498 -8.016) 10.528 9.387 ( 0.666 -5.121 6.332) 8.171 9.807 ( 5.225 -1.615 0.954) 5.551 9.960 ( -1.336 2.648 -4.043) 5.014 10.026 ( -2.189 -2.843 -3.887) 5.289 10.213 ( -2.291 -1.078 2.108) 3.295 11.015 ( -8.982 -6.060 -15.945) 19.278 11.729 ( 6.944 5.202 2.775) 9.109 12.166 ( -6.396 -2.540 -2.397) 7.287 13.161 ( 0.336 0.409 4.800) 4.829 13.476 ( 0.907 -0.663 -4.645) 4.779======================= Grid point 455 (206/355) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( -3.307 5.638 1.164) 6.639 1.969 ( 1.455 0.344 -0.482) 1.572 2.272 ( -5.198 3.612 0.772) 6.377 2.663 ( 3.879 -5.069 5.637) 8.516 2.944 ( 6.213 -1.014 1.693) 6.519 3.170 ( 0.260 -0.432 -8.885) 8.899 3.340 ( 1.268 -0.239 -3.208) 3.458 3.573 ( 1.946 3.880 2.666) 5.094 3.930 ( -4.649 -6.762 -7.498) 11.116 4.298 ( -1.766 -0.706 -6.099) 6.388 4.404 ( 7.371 6.348 7.401) 12.224 4.745 ( -8.774 -0.382 7.011) 11.238 4.980 ( 1.817 1.605 1.731) 2.979 5.182 ( -3.050 -2.787 -3.498) 5.414 5.454 ( -1.245 1.627 -3.362) 3.937 5.510 ( 0.472 2.697 1.061) 2.936 5.587 ( -11.599 -2.495 -8.129) 14.382 5.754 ( 5.471 3.025 -3.872) 7.354 6.286 ( 0.284 -4.785 1.539) 5.034 6.362 ( 4.511 -3.513 4.670) 7.382 7.180 ( 2.376 2.212 9.083) 9.646 7.350 ( 1.988 3.195 7.614) 8.493 7.539 ( 4.652 -2.062 -0.550) 5.118 7.586 ( 0.086 -0.467 9.087) 9.099 7.769 ( -3.874 -2.413 0.891) 4.650 8.107 ( 8.074 -0.925 6.998) 10.725 8.210 ( -2.067 1.875 -6.426) 7.006 8.348 ( 2.966 0.297 7.635) 8.196 8.428 ( -7.496 -0.855 -8.189) 11.135 8.548 ( 1.027 -1.456 2.407) 2.995 8.880 ( -0.005 4.672 4.879) 6.755 9.201 ( 4.890 5.143 -3.978) 8.136 9.421 ( 0.557 -1.331 6.083) 6.252 9.764 ( -10.838 -1.682 -11.479) 15.876 9.928 ( 2.909 1.429 2.438) 4.056 10.063 ( 0.577 -0.949 -1.085) 1.553 10.221 ( 4.058 1.914 3.383) 5.619 10.893 ( -6.383 -7.857 -15.860) 18.815 11.845 ( 7.546 3.843 3.114) 9.022 12.047 ( -6.596 -0.824 -3.333) 7.436 13.168 ( 0.137 0.408 5.138) 5.156 13.483 ( 0.087 -0.331 -4.585) 4.598======================= Grid point 456 (207/355) =======================q-point: (-0.42 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( -6.747 10.829 6.027) 14.111 2.041 ( -0.088 4.534 -2.549) 5.202 2.152 ( 0.249 5.753 -1.733) 6.014 2.777 ( 4.369 -2.975 3.728) 6.468 2.922 ( -9.203 -3.596 2.732) 10.251 3.224 ( 6.380 -0.762 -4.729) 7.978 3.369 ( 2.637 1.815 -5.131) 6.048 3.545 ( -4.703 1.754 1.652) 5.285 3.820 ( -10.190 -12.806 -6.209) 17.504 4.350 ( 6.865 1.214 0.414) 6.984 4.466 ( -1.019 1.547 2.741) 3.308 4.568 ( -8.419 0.372 2.074) 8.678 4.975 ( -0.528 2.933 2.906) 4.163 5.242 ( 4.211 -0.018 0.067) 4.212 5.357 ( -9.157 -1.605 -3.347) 9.881 5.400 ( -6.656 -1.197 -5.246) 8.559 5.461 ( -0.649 4.823 3.043) 5.740 5.821 ( 2.794 3.160 -2.324) 4.816 6.224 ( -3.197 -3.460 -0.858) 4.789 6.632 ( 15.168 -5.674 3.253) 16.518 7.185 ( -2.041 0.221 4.772) 5.195 7.358 ( 0.012 4.103 8.301) 9.260 7.459 ( -5.755 5.141 -1.884) 7.944 7.657 ( 2.352 -1.356 3.514) 4.440 7.808 ( 1.984 -10.723 6.167) 12.528 8.079 ( -5.261 1.529 -0.366) 5.491 8.242 ( -3.527 5.651 -0.648) 6.693 8.353 ( 4.502 -6.830 -5.213) 9.700 8.465 ( 7.471 0.801 10.264) 12.721 8.592 ( 2.688 -1.050 0.322) 2.904 8.861 ( -0.901 -1.848 -0.382) 2.091 9.273 ( 3.591 2.929 2.122) 5.097 9.439 ( 2.341 5.037 5.032) 7.495 9.534 ( -11.641 -0.649 -10.831) 15.913 9.949 ( -0.414 1.017 0.513) 1.211 10.047 ( -2.156 -1.241 -0.180) 2.494 10.331 ( 7.498 2.807 2.980) 8.543 10.826 ( -2.749 -5.503 -14.796) 16.024 11.914 ( -5.498 0.118 -4.670) 7.215 11.989 ( 7.270 2.168 3.698) 8.440 13.171 ( -0.201 0.136 4.914) 4.920 13.474 ( -0.724 0.104 -4.871) 4.926======================= Grid point 457 (208/355) =======================q-point: (-0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( -5.371 16.011 10.368) 19.816 1.858 ( -10.226 8.168 1.756) 13.205 2.259 ( 8.321 2.234 -6.979) 11.088 2.680 ( -12.949 0.449 3.036) 13.308 2.891 ( 2.167 -2.834 2.575) 4.399 3.334 ( -6.958 -0.931 -3.353) 7.779 3.374 ( -0.344 -1.965 0.366) 2.028 3.407 ( 1.203 -0.276 -6.398) 6.516 3.737 ( -4.890 -10.460 2.977) 11.924 4.267 ( -15.496 1.293 2.617) 15.768 4.406 ( -0.438 -0.893 -0.035) 0.995 4.635 ( 10.882 0.063 -1.233) 10.952 4.944 ( -2.909 0.593 -1.235) 3.215 5.105 ( -16.584 -1.769 -0.497) 16.685 5.184 ( -7.293 2.435 -0.352) 7.696 5.269 ( -3.597 2.762 2.134) 5.012 5.657 ( 16.179 1.646 3.953) 16.736 5.810 ( -0.988 3.760 0.343) 3.903 6.241 ( 3.378 -2.605 -5.880) 7.264 6.929 ( 9.646 -4.975 6.971) 12.900 7.113 ( -3.097 -0.043 -4.784) 5.700 7.305 ( -1.627 5.297 -1.625) 5.774 7.407 ( 1.401 3.301 8.920) 9.614 7.664 ( -3.646 -3.976 3.077) 6.210 7.817 ( -7.243 -4.580 3.433) 9.231 8.002 ( -4.305 0.912 -3.208) 5.445 8.158 ( 0.356 -2.291 4.116) 4.724 8.461 ( 2.749 -2.275 -3.293) 4.856 8.613 ( 6.655 1.134 9.320) 11.508 8.672 ( 6.199 1.593 1.283) 6.528 8.857 ( -4.261 -10.578 -8.753) 14.375 9.285 ( 1.771 3.743 7.962) 8.974 9.341 ( -7.388 -3.504 -6.747) 10.601 9.514 ( 7.402 8.890 3.398) 12.057 9.913 ( -3.015 -1.206 -0.719) 3.326 10.002 ( -2.785 0.613 -0.101) 2.854 10.456 ( 5.608 -1.238 1.498) 5.935 10.831 ( 4.144 2.770 -10.763) 11.862 11.794 ( -6.032 0.866 -4.961) 7.858 12.134 ( 7.772 0.548 3.016) 8.355 13.163 ( -1.372 -0.537 4.202) 4.453 13.445 ( -1.522 0.934 -5.508) 5.790======================= Grid point 458 (209/355) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.338 ( -4.601 16.145 13.250) 21.387 1.646 ( -7.544 6.740 11.607) 15.397 2.378 ( 5.424 1.392 -7.630) 9.464 2.440 ( -11.197 0.539 3.397) 11.714 2.907 ( -3.733 -3.897 -2.939) 6.145 3.070 ( -12.345 1.254 -2.227) 12.607 3.381 ( -7.916 -0.827 7.839) 11.171 3.468 ( 4.885 0.781 -7.426) 8.924 3.732 ( -2.006 -11.284 6.595) 13.223 3.954 ( -14.723 2.593 -0.674) 14.965 4.401 ( -1.425 -1.145 -1.714) 2.506 4.737 ( -19.855 -3.922 0.995) 20.264 4.816 ( 0.020 -1.290 1.244) 1.792 4.866 ( 1.917 3.237 -4.999) 6.256 5.015 ( -7.526 4.168 1.658) 8.761 5.330 ( 9.327 2.237 3.716) 10.286 5.734 ( -2.047 2.096 4.423) 5.305 5.989 ( 15.847 1.728 3.145) 16.248 6.340 ( 6.040 -1.263 -9.927) 11.689 6.913 ( -5.484 1.706 -0.917) 5.816 7.156 ( -1.676 -2.581 0.490) 3.116 7.325 ( 6.324 1.997 -1.081) 6.720 7.446 ( 3.170 0.923 2.800) 4.329 7.553 ( -8.782 -0.479 2.704) 9.202 7.675 ( -9.123 -5.885 -1.553) 10.967 7.866 ( -6.300 5.554 1.155) 8.478 8.261 ( 4.039 -10.321 6.392) 12.795 8.479 ( -1.580 -3.628 -1.576) 4.260 8.656 ( -7.012 -2.045 -0.482) 7.320 8.752 ( 2.787 3.457 -4.342) 6.211 8.846 ( 5.998 -2.033 4.823) 7.960 9.236 ( -4.309 1.408 -3.660) 5.826 9.430 ( 11.320 -3.456 7.141) 13.823 9.616 ( 6.700 3.948 1.957) 8.019 9.861 ( -3.155 -1.873 -0.958) 3.792 9.940 ( -2.805 0.954 -0.287) 2.976 10.551 ( 1.885 -8.659 -2.841) 9.306 10.936 ( 11.727 14.036 -1.902) 18.388 11.671 ( -5.965 0.798 -5.070) 7.869 12.273 ( 6.523 -0.213 1.895) 6.796 13.128 ( -3.177 -1.508 3.339) 4.850 13.398 ( -1.952 2.313 -6.528) 7.196======================= Grid point 459 (210/355) =======================q-point: (-0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -1.074 6.668 18.965) 20.132 1.554 ( 0.848 8.639 22.964) 24.550 2.267 ( -6.817 -1.417 3.457) 7.773 2.453 ( 3.691 1.177 -7.716) 8.634 2.727 ( -13.923 -5.303 -1.094) 14.939 2.950 ( -2.161 4.059 -6.173) 7.698 3.090 ( -21.306 1.003 22.796) 31.219 3.516 ( -0.842 -2.238 -14.774) 14.966 3.647 ( -11.266 1.895 -7.697) 13.775 3.839 ( 1.571 -5.969 8.125) 10.203 4.239 ( -15.102 -0.926 -1.414) 15.196 4.532 ( -2.259 -2.838 2.085) 4.184 4.717 ( -4.602 2.912 -6.552) 8.520 4.817 ( -6.709 2.210 5.779) 9.126 5.052 ( 9.827 3.132 1.229) 10.386 5.536 ( 11.873 0.906 3.211) 12.333 5.719 ( 0.993 0.416 5.257) 5.366 6.247 ( 11.186 0.376 3.055) 11.602 6.447 ( 5.852 0.179 -11.630) 13.021 6.820 ( -2.883 1.716 -3.375) 4.759 7.075 ( -6.459 -1.283 -3.104) 7.280 7.315 ( -5.784 2.236 -6.666) 9.104 7.347 ( -10.568 -0.684 2.409) 10.861 7.534 ( -3.964 -3.783 2.178) 5.896 7.628 ( 7.242 -2.282 -2.877) 8.120 7.722 ( -6.678 4.546 6.437) 10.329 8.404 ( 1.562 -13.319 6.035) 14.705 8.422 ( -6.402 -4.049 1.031) 7.644 8.503 ( -3.677 0.516 -2.681) 4.580 8.781 ( 0.785 2.471 -0.308) 2.611 9.003 ( 8.260 1.257 4.858) 9.665 9.147 ( -2.855 5.157 -2.650) 6.463 9.619 ( 4.546 -0.155 5.612) 7.224 9.774 ( 4.684 -4.677 -3.244) 7.371 9.815 ( 2.955 -1.484 1.820) 3.774 9.925 ( 2.881 1.443 1.807) 3.694 10.625 ( 0.618 -13.832 -6.952) 15.493 11.082 ( 10.563 19.491 5.132) 22.756 11.572 ( -2.345 -0.107 -3.435) 4.160 12.377 ( 3.962 -0.372 0.038) 3.980 13.070 ( -4.125 -2.595 2.649) 5.546 13.338 ( -1.855 4.043 -7.622) 8.825======================= Grid point 460 (211/355) =======================q-point: (-0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( 5.417 -0.131 24.168) 24.768 1.638 ( 8.807 5.522 28.790) 30.609 2.196 ( -2.410 -2.499 4.842) 5.958 2.495 ( -0.622 2.681 1.006) 2.930 2.546 ( -3.111 -2.943 -3.472) 5.513 2.665 ( -19.172 0.877 23.384) 30.252 2.913 ( -3.204 1.609 -5.190) 6.308 3.375 ( -11.532 -2.243 -12.249) 16.972 3.419 ( -11.349 1.858 -14.573) 18.564 3.870 ( -3.420 -2.620 2.503) 4.982 4.092 ( 1.911 0.128 -1.641) 2.522 4.540 ( -2.495 -4.239 0.419) 4.937 4.596 ( -2.641 6.246 0.600) 6.808 4.747 ( -0.234 0.757 -1.481) 1.680 5.251 ( 12.406 1.610 7.179) 14.423 5.746 ( 9.801 0.243 2.614) 10.146 5.763 ( 2.564 -0.376 4.875) 5.521 6.402 ( 4.704 -0.642 0.042) 4.748 6.537 ( 4.753 0.557 -9.559) 10.690 6.769 ( -2.030 1.299 -4.423) 5.037 6.928 ( -9.025 -0.542 -6.881) 11.362 7.164 ( -7.649 0.541 -7.010) 10.389 7.175 ( -7.868 -0.600 3.930) 8.816 7.414 ( -8.919 -1.042 -4.860) 10.211 7.594 ( -5.562 0.897 11.756) 13.036 7.797 ( 8.237 -1.117 -0.010) 8.313 8.271 ( -6.289 -1.421 4.325) 7.764 8.460 ( -2.022 -4.527 -2.633) 5.613 8.578 ( 7.835 -2.631 7.496) 11.158 8.749 ( -2.948 0.777 -0.557) 3.099 8.997 ( -6.792 -1.115 -4.727) 8.350 9.188 ( 6.748 5.606 1.992) 8.996 9.641 ( -2.637 -0.941 4.941) 5.679 9.757 ( 0.796 -0.650 -2.749) 2.935 9.982 ( 6.514 -2.504 1.795) 7.206 10.061 ( 9.567 1.700 3.952) 10.489 10.723 ( 3.086 -15.271 -9.277) 18.132 11.057 ( -4.076 15.293 2.579) 16.035 11.646 ( 10.157 1.433 4.376) 11.152 12.413 ( -0.604 -0.181 -2.611) 2.686 13.019 ( -2.627 -2.817 1.833) 4.266 13.278 ( -1.289 4.319 -7.897) 9.093======================= Grid point 462 (212/355) =======================q-point: ( 0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.506 ( 0.671 -0.000 12.674) 12.692 1.895 ( 12.917 -0.000 20.747) 24.440 2.382 ( -2.919 0.000 6.147) 6.805 2.461 ( -7.034 0.000 -5.305) 8.810 2.734 ( 1.113 -0.000 6.255) 6.353 2.902 ( 10.666 -0.000 -5.813) 12.147 2.957 ( -0.233 0.000 -19.329) 19.330 3.112 ( 5.274 -0.000 -1.629) 5.519 3.454 ( 30.283 -0.000 24.447) 38.919 3.989 ( -4.591 0.000 -7.105) 8.459 4.346 ( 3.951 -0.000 -3.920) 5.566 4.350 ( 20.383 -0.000 3.892) 20.751 4.920 ( 5.129 -0.000 4.568) 6.869 4.982 ( 7.563 -0.000 -9.226) 11.930 5.613 ( -15.215 0.000 1.449) 15.284 5.748 ( -7.872 0.000 -10.204) 12.888 5.836 ( -10.191 0.000 -14.902) 18.053 6.036 ( 1.695 -0.000 7.705) 7.890 6.418 ( 2.450 -0.000 3.245) 4.066 6.514 ( -2.864 0.000 5.515) 6.214 6.751 ( -2.522 0.000 -0.977) 2.704 6.971 ( -0.587 0.000 1.403) 1.521 7.077 ( 11.535 -0.000 11.903) 16.575 7.367 ( 3.198 -0.000 3.775) 4.947 7.496 ( -1.616 0.000 5.669) 5.895 8.121 ( -1.098 0.000 0.672) 1.287 8.320 ( 5.915 -0.000 3.810) 7.036 8.401 ( -1.999 0.000 1.195) 2.329 8.721 ( 3.711 -0.000 3.272) 4.947 8.891 ( 3.627 -0.000 2.182) 4.233 8.970 ( -5.451 0.000 -9.784) 11.200 9.086 ( 2.690 -0.000 10.431) 10.773 9.168 ( -4.388 0.000 -4.524) 6.302 9.723 ( -5.456 0.000 0.670) 5.497 10.209 ( -6.360 0.000 -5.831) 8.628 10.287 ( -0.899 0.000 -7.066) 7.123 10.312 ( -7.032 0.000 4.001) 8.091 11.318 ( 10.521 -0.000 -3.754) 11.171 11.842 ( -16.267 0.000 -9.354) 18.764 12.214 ( 3.697 -0.000 5.072) 6.276 13.082 ( 2.615 -0.000 1.791) 3.170 13.315 ( 3.566 -0.000 -6.043) 7.017======================= Grid point 463 (213/355) =======================q-point: ( 0.17 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 5.908 0.026 2.653) 6.476 2.155 ( 10.466 -1.129 9.738) 14.340 2.313 ( -5.000 -1.578 3.719) 6.428 2.357 ( -1.557 -2.120 4.210) 4.964 2.703 ( -2.319 4.288 1.526) 5.108 3.019 ( 7.054 -0.139 -9.847) 12.114 3.103 ( 8.285 -4.201 -14.839) 17.507 3.203 ( 3.831 -0.038 10.071) 10.776 3.903 ( 0.685 3.424 -2.161) 4.106 3.988 ( 20.000 -2.014 14.399) 24.726 4.454 ( 7.864 0.608 -3.462) 8.614 4.767 ( 21.489 0.618 -0.728) 21.511 4.942 ( -4.869 -0.527 3.158) 5.827 5.134 ( 9.633 0.935 -9.207) 13.358 5.289 ( -16.700 1.268 3.526) 17.116 5.553 ( -5.048 0.513 -16.489) 17.252 5.725 ( -5.741 -1.701 -7.591) 9.668 6.079 ( 1.949 0.489 8.006) 8.254 6.344 ( -9.926 -0.366 -8.316) 12.954 6.464 ( -3.571 -2.202 9.419) 10.311 6.826 ( 8.827 1.426 9.352) 12.939 7.005 ( 3.760 -1.841 4.616) 6.232 7.317 ( 11.540 -0.085 12.856) 17.276 7.436 ( 3.476 1.385 6.902) 7.852 7.460 ( -0.838 0.725 -0.016) 1.108 8.087 ( -2.953 -1.392 0.332) 3.282 8.372 ( -0.331 3.358 2.409) 4.146 8.378 ( 0.069 0.364 1.185) 1.241 8.792 ( -5.404 1.164 5.483) 7.786 8.793 ( -1.797 1.053 1.220) 2.414 8.896 ( -1.898 -0.319 -5.818) 6.128 9.153 ( 6.104 1.832 -1.512) 6.550 9.223 ( 3.995 -1.624 2.580) 5.026 9.647 ( -1.863 -0.435 1.033) 2.175 10.015 ( -8.254 0.479 -6.713) 10.651 10.230 ( -5.114 -1.738 -5.726) 7.871 10.272 ( -1.352 -0.344 3.121) 3.418 11.422 ( -4.902 2.021 -11.809) 12.945 11.590 ( -2.627 -0.196 -2.404) 3.566 12.250 ( -0.795 -2.331 2.445) 3.470 13.126 ( 1.858 0.477 2.849) 3.434 13.382 ( 3.441 -1.035 -5.277) 6.384======================= Grid point 464 (214/355) =======================q-point: ( 0.25 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 6.350 0.351 -2.294) 6.761 2.150 ( -6.121 -4.825 -5.837) 9.737 2.346 ( 0.495 0.188 2.104) 2.169 2.449 ( 7.509 -3.525 14.043) 16.310 2.677 ( 3.187 4.479 5.474) 7.757 3.109 ( -1.910 -1.371 -2.927) 3.755 3.167 ( 5.835 -2.081 -3.961) 7.353 3.373 ( 10.336 -1.953 -5.256) 11.759 3.947 ( 6.254 4.109 -0.255) 7.487 4.233 ( 5.150 5.054 -0.060) 7.216 4.640 ( 10.446 -0.229 2.175) 10.672 4.758 ( -12.614 -3.946 -3.622) 13.704 5.014 ( -10.930 0.287 8.822) 14.048 5.111 ( 13.982 0.396 -3.601) 14.444 5.319 ( 10.944 2.257 -7.153) 13.268 5.558 ( 5.096 1.535 -10.796) 12.037 5.587 ( -8.568 -2.237 -3.865) 9.662 6.092 ( -10.447 -1.572 -5.314) 11.826 6.120 ( -2.172 2.969 2.533) 4.466 6.420 ( -4.223 -5.174 10.348) 12.316 7.003 ( 9.304 3.440 10.173) 14.209 7.136 ( 7.027 -4.638 8.558) 12.005 7.378 ( -1.220 1.955 -1.785) 2.915 7.510 ( 4.682 3.043 10.597) 11.978 7.602 ( 11.739 -0.403 9.172) 14.903 8.019 ( -5.184 -2.624 -2.208) 6.216 8.332 ( -3.096 -0.088 0.898) 3.224 8.368 ( 0.582 4.308 2.601) 5.066 8.621 ( -7.183 0.050 3.492) 7.987 8.757 ( -5.101 1.784 -9.765) 11.160 8.912 ( 3.206 3.409 6.956) 8.384 9.198 ( -1.452 -2.299 -0.598) 2.784 9.313 ( 5.270 1.892 -1.791) 5.879 9.679 ( 4.365 -1.171 2.295) 5.069 9.940 ( 1.199 0.407 -3.907) 4.107 10.112 ( -7.728 -2.547 -5.283) 9.702 10.243 ( -2.293 -0.619 2.674) 3.577 11.181 ( -13.291 -1.639 -15.912) 20.798 11.672 ( 6.748 3.274 1.067) 7.576 12.219 ( -3.920 -2.908 -0.075) 4.882 13.152 ( 0.897 0.350 3.973) 4.089 13.438 ( 2.333 -0.779 -4.786) 5.381======================= Grid point 465 (215/355) =======================q-point: ( 0.33 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 6.380 1.278 -1.721) 6.730 2.055 ( -5.472 -1.784 -2.112) 6.131 2.332 ( -1.962 -1.864 -0.877) 2.845 2.560 ( 2.169 -1.162 10.013) 10.311 2.792 ( 8.854 2.027 4.958) 10.348 3.107 ( 1.691 -3.818 -2.197) 4.719 3.281 ( 4.638 -0.883 -6.517) 8.047 3.534 ( 6.212 0.234 -3.148) 6.968 4.012 ( -0.913 4.288 -2.904) 5.259 4.252 ( 4.503 4.891 -3.609) 7.565 4.510 ( -9.660 0.066 -1.956) 9.856 4.821 ( -0.619 -2.875 6.157) 6.824 4.906 ( 2.164 -1.067 6.933) 7.340 5.255 ( -1.857 -0.905 -7.788) 8.058 5.428 ( 0.070 -0.570 -2.162) 2.237 5.505 ( 5.512 1.893 -2.440) 6.318 5.672 ( 6.889 3.242 -5.859) 9.608 5.824 ( -13.799 -1.819 -10.675) 17.540 6.149 ( 3.562 1.550 7.096) 8.090 6.364 ( -5.906 -6.310 7.735) 11.598 7.143 ( 6.168 3.944 10.210) 12.563 7.295 ( 5.369 -4.170 8.517) 10.898 7.382 ( 3.668 0.701 -2.069) 4.269 7.574 ( 2.341 2.980 13.025) 13.565 7.812 ( 6.908 0.963 6.678) 9.656 7.938 ( -1.970 -3.929 -3.624) 5.696 8.275 ( -3.546 -1.980 1.100) 4.207 8.356 ( 0.461 5.033 2.477) 5.628 8.536 ( -2.351 -0.719 4.031) 4.722 8.607 ( -7.841 2.416 -11.009) 13.730 8.948 ( 1.846 5.947 7.577) 9.807 9.170 ( -2.110 -6.077 -3.232) 7.199 9.393 ( 5.202 5.123 0.550) 7.321 9.791 ( 5.149 -1.402 -0.375) 5.350 9.963 ( -7.351 -2.141 -4.425) 8.843 10.013 ( 4.523 0.642 -2.008) 4.990 10.208 ( -1.145 0.041 3.324) 3.516 10.955 ( -10.682 -5.119 -16.023) 19.926 11.779 ( 6.577 4.213 1.833) 8.023 12.140 ( -5.560 -2.330 -2.194) 6.415 13.165 ( 0.334 0.334 4.803) 4.826 13.469 ( 1.129 -0.489 -4.550) 4.714======================= Grid point 466 (216/355) =======================q-point: ( 0.42 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 0.952 5.974 1.052) 6.140 1.980 ( 2.013 1.746 -1.135) 2.897 2.294 ( -2.822 0.576 1.295) 3.158 2.617 ( 3.067 -3.743 6.267) 7.917 2.942 ( 5.442 0.584 1.457) 5.664 3.166 ( 2.228 -0.639 -7.365) 7.721 3.327 ( 1.062 -1.846 -4.683) 5.145 3.600 ( 1.234 1.161 -0.198) 1.706 3.874 ( -10.596 -3.785 -5.658) 12.595 4.291 ( 0.746 -0.692 -4.657) 4.767 4.477 ( 5.476 7.620 6.177) 11.234 4.734 ( -7.932 -1.785 7.416) 11.004 4.994 ( 2.945 1.026 2.329) 3.893 5.156 ( -2.161 -2.118 -4.076) 5.076 5.455 ( -0.919 -0.836 -3.514) 3.727 5.541 ( -4.786 0.998 -2.436) 5.462 5.574 ( -6.613 1.540 -5.978) 9.047 5.785 ( 5.556 2.935 -4.011) 7.455 6.239 ( -1.327 -4.121 2.963) 5.246 6.324 ( 5.100 -3.675 5.373) 8.270 7.208 ( 1.775 3.181 9.144) 9.843 7.375 ( 2.356 1.040 6.930) 7.393 7.502 ( 5.742 -3.635 2.341) 7.188 7.591 ( 0.288 0.676 10.918) 10.943 7.762 ( -5.976 1.072 -4.113) 7.333 8.080 ( 8.374 -4.059 3.324) 9.881 8.219 ( -2.652 -0.535 -1.592) 3.140 8.359 ( 2.026 1.829 6.865) 7.388 8.431 ( -7.508 1.954 -7.464) 10.766 8.543 ( 1.478 0.029 1.594) 2.174 8.921 ( -2.498 2.683 1.703) 4.042 9.203 ( 2.757 -3.261 1.738) 4.610 9.459 ( 4.971 7.308 3.172) 9.391 9.742 ( -9.942 -2.556 -11.483) 15.403 9.939 ( 3.246 0.736 3.123) 4.564 10.053 ( -1.026 -1.151 -1.251) 1.986 10.250 ( 6.423 3.694 3.103) 8.033 10.806 ( -7.179 -8.553 -14.903) 18.622 11.885 ( 6.582 3.654 2.279) 7.865 12.037 ( -5.787 -1.147 -3.595) 6.909 13.172 ( 0.101 0.384 5.112) 5.127 13.480 ( 0.257 -0.286 -4.583) 4.599======================= Grid point 467 (217/355) =======================q-point: (-0.50 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -3.040 12.800 6.489) 14.669 2.082 ( 4.709 3.451 -3.281) 6.697 2.217 ( -1.776 6.176 -0.871) 6.485 2.735 ( 5.959 -4.837 5.135) 9.234 2.900 ( -9.560 -0.521 0.450) 9.585 3.221 ( 5.394 0.163 -5.293) 7.559 3.376 ( 3.146 -0.576 -5.165) 6.076 3.543 ( -8.814 -3.140 -4.525) 10.394 3.700 ( -9.257 -8.918 0.792) 12.878 4.366 ( 5.866 1.917 0.965) 6.246 4.482 ( -2.080 1.540 2.814) 3.823 4.568 ( -9.011 -0.571 1.188) 9.107 5.003 ( -0.907 2.237 1.846) 3.039 5.253 ( 7.249 2.045 0.206) 7.535 5.342 ( -10.065 -0.897 -1.970) 10.295 5.385 ( -5.530 -1.753 -5.508) 7.999 5.509 ( -1.274 4.226 2.823) 5.240 5.853 ( 2.895 2.835 -2.340) 4.679 6.186 ( -2.706 -3.728 -0.115) 4.608 6.573 ( 14.325 -5.596 3.426) 15.757 7.197 ( -2.069 2.071 5.513) 6.243 7.396 ( 0.281 2.848 9.915) 10.319 7.505 ( -4.089 3.364 -0.393) 5.309 7.645 ( -1.692 -0.702 0.654) 1.945 7.710 ( 3.925 -7.542 5.078) 9.903 8.097 ( -4.969 1.752 0.376) 5.283 8.243 ( -5.604 -6.580 -4.972) 9.971 8.336 ( 7.270 4.996 -1.590) 8.963 8.457 ( 6.311 -1.959 7.554) 10.036 8.580 ( 1.814 -1.066 2.066) 2.949 8.849 ( -3.997 -1.180 -3.893) 5.703 9.281 ( 3.208 -0.545 6.777) 7.518 9.477 ( -5.174 1.545 -3.770) 6.585 9.566 ( -1.310 6.646 -2.554) 7.239 9.956 ( -1.725 0.324 -0.306) 1.782 10.033 ( -1.099 -1.394 0.352) 1.809 10.367 ( 6.832 4.332 1.343) 8.200 10.759 ( -0.324 -7.325 -12.268) 14.292 11.916 ( -5.101 0.116 -5.593) 7.571 12.012 ( 6.495 2.106 3.471) 7.660 13.173 ( -0.448 0.173 4.897) 4.920 13.475 ( -0.372 0.121 -4.976) 4.991======================= Grid point 468 (218/355) =======================q-point: (-0.42 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -1.770 18.704 10.351) 21.450 1.954 ( -10.066 10.061 0.092) 14.232 2.288 ( 8.141 3.475 -6.444) 10.949 2.677 ( -13.209 -1.041 2.989) 13.583 2.864 ( 4.021 -2.234 2.955) 5.467 3.311 ( -15.501 -6.621 -4.687) 17.495 3.340 ( 6.318 -1.699 -2.296) 6.933 3.410 ( 0.940 0.570 -4.924) 5.045 3.629 ( -4.979 -9.712 5.231) 12.103 4.272 ( -14.484 -0.137 2.456) 14.691 4.405 ( -1.932 0.387 -1.127) 2.270 4.634 ( 10.869 -0.290 -0.220) 10.875 4.946 ( -4.821 -0.272 -2.769) 5.566 5.087 ( -17.688 -1.670 -0.711) 17.781 5.217 ( -3.592 3.773 0.020) 5.209 5.304 ( -3.592 4.040 4.131) 6.804 5.672 ( 15.024 1.237 4.409) 15.706 5.850 ( -0.262 3.600 0.514) 3.646 6.215 ( 4.154 -2.280 -5.856) 7.533 6.868 ( 11.167 -6.442 5.968) 14.206 7.126 ( -3.391 2.502 -1.620) 4.514 7.359 ( -2.436 4.902 -0.711) 5.520 7.440 ( 0.401 2.831 8.563) 9.028 7.614 ( -3.857 -5.629 1.991) 7.108 7.774 ( -4.024 -3.269 3.026) 6.003 8.008 ( -2.750 0.538 -1.706) 3.281 8.137 ( -4.749 -2.255 0.530) 5.284 8.449 ( 3.043 -0.128 -3.964) 4.998 8.619 ( 7.428 -1.500 9.681) 12.294 8.635 ( 2.685 -7.214 -0.220) 7.700 8.788 ( -2.828 -2.197 -8.958) 9.647 9.301 ( -5.789 -4.037 -5.666) 9.051 9.338 ( 1.315 6.043 9.194) 11.080 9.599 ( 4.846 7.368 4.127) 9.737 9.899 ( -3.820 -1.431 -1.762) 4.443 10.006 ( -2.315 0.292 -0.138) 2.338 10.443 ( 2.199 -1.268 -2.270) 3.405 10.860 ( 10.242 2.683 -5.936) 12.138 11.804 ( -5.567 1.053 -6.462) 8.594 12.140 ( 7.016 0.549 3.460) 7.842 13.157 ( -1.865 -0.509 4.361) 4.771 13.456 ( -0.793 1.068 -5.946) 6.093======================= Grid point 469 (219/355) =======================q-point: (-0.33 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -6.029 20.940 8.095) 23.246 1.734 ( -5.282 10.156 12.087) 16.647 2.397 ( 3.851 2.040 -5.438) 6.969 2.445 ( -10.259 0.346 2.703) 10.615 2.851 ( -9.296 -6.582 -3.116) 11.809 3.092 ( -5.897 2.702 -0.537) 6.509 3.371 ( -6.439 -1.122 6.484) 9.206 3.475 ( 4.299 0.589 -7.210) 8.415 3.599 ( -2.587 -13.895 6.591) 15.595 3.974 ( -15.092 1.301 -2.004) 15.280 4.390 ( -0.730 -0.955 -1.581) 1.986 4.696 ( -20.799 -3.553 0.719) 21.113 4.797 ( -1.315 -2.408 0.634) 2.816 4.901 ( 5.669 3.247 -4.407) 7.880 5.067 ( -7.807 5.760 3.200) 10.216 5.356 ( 8.663 2.684 4.145) 9.972 5.755 ( -2.376 1.762 4.745) 5.591 6.012 ( 15.095 2.612 3.380) 15.688 6.328 ( 7.124 -0.729 -10.066) 12.353 6.931 ( -4.262 1.495 1.242) 4.684 7.130 ( 0.065 -2.070 0.557) 2.144 7.342 ( 3.835 1.197 -1.530) 4.299 7.463 ( 1.576 1.963 5.788) 6.312 7.542 ( -5.697 -1.919 1.068) 6.105 7.624 ( -10.805 -3.359 -2.994) 11.704 7.919 ( -5.428 4.523 1.024) 7.139 8.142 ( 0.041 -11.726 4.224) 12.464 8.446 ( -3.558 -4.165 -1.115) 5.590 8.620 ( -6.795 -4.636 -6.938) 10.761 8.756 ( 3.213 -1.933 0.874) 3.850 8.837 ( 9.156 0.502 2.286) 9.450 9.250 ( -1.231 0.587 -2.697) 3.022 9.419 ( 9.406 1.640 9.232) 13.281 9.648 ( 2.461 2.279 3.563) 4.893 9.841 ( -2.732 -1.775 -1.191) 3.469 9.947 ( -3.189 0.371 -0.961) 3.351 10.476 ( -0.108 -5.951 -4.485) 7.452 11.076 ( 16.054 12.522 0.426) 20.365 11.682 ( -5.971 1.488 -6.798) 9.170 12.269 ( 6.062 -0.588 2.789) 6.699 13.112 ( -3.870 -1.563 3.918) 5.725 13.425 ( -0.655 2.814 -7.760) 8.280======================= Grid point 470 (220/355) =======================q-point: (-0.25 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.323 ( -5.662 11.354 13.358) 18.423 1.679 ( 3.674 14.960 22.126) 26.960 2.249 ( -8.646 -1.893 5.908) 10.642 2.464 ( 2.712 0.457 -8.384) 8.823 2.656 ( -12.067 -7.671 -0.207) 14.300 3.006 ( -3.956 6.697 -5.444) 9.494 3.105 ( -18.827 1.960 21.717) 28.808 3.486 ( -2.904 -3.711 -13.333) 14.141 3.662 ( -5.898 -0.091 -6.614) 8.862 3.759 ( -2.128 -8.261 4.752) 9.765 4.232 ( -15.055 -0.271 -0.342) 15.061 4.499 ( -0.798 -3.390 1.017) 3.628 4.742 ( -1.828 1.581 -6.128) 6.587 4.853 ( -8.064 4.670 6.079) 11.126 5.096 ( 10.549 5.038 1.809) 11.829 5.548 ( 11.361 1.233 2.993) 11.813 5.724 ( -0.047 0.544 5.136) 5.165 6.250 ( 10.084 0.299 2.725) 10.450 6.454 ( 7.016 1.398 -10.872) 13.015 6.845 ( -2.562 3.008 -2.648) 4.757 7.060 ( -6.641 -1.416 -2.001) 7.079 7.323 ( -8.019 -1.503 2.812) 8.630 7.358 ( -9.219 3.439 -8.756) 13.171 7.490 ( -4.171 -4.232 5.129) 7.849 7.600 ( 7.997 -2.965 -2.778) 8.970 7.773 ( -7.674 4.855 3.707) 9.809 8.232 ( -0.041 -17.853 6.748) 19.086 8.364 ( -7.141 -7.399 -0.755) 10.311 8.526 ( -1.153 3.056 -2.268) 3.977 8.798 ( 0.285 0.867 0.383) 0.990 8.995 ( 4.786 -2.244 0.390) 5.301 9.223 ( 2.291 8.295 0.666) 8.632 9.619 ( 5.031 0.462 5.395) 7.391 9.708 ( 5.531 -7.221 -0.267) 9.100 9.803 ( -1.302 -0.938 0.261) 1.625 9.934 ( 3.674 0.074 2.323) 4.348 10.498 ( -1.266 -10.087 -4.935) 11.300 11.290 ( 12.632 19.975 2.292) 23.745 11.571 ( -2.703 -0.175 -4.058) 4.879 12.370 ( 3.717 -1.016 1.273) 4.058 13.040 ( -4.989 -2.843 3.949) 6.969 13.390 ( 0.029 5.502 -10.211) 11.599======================= Grid point 471 (221/355) =======================q-point: (-0.17 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.288 ( 4.085 2.568 22.456) 22.968 1.736 ( 6.407 12.238 26.290) 29.698 2.156 ( -3.050 -4.637 7.134) 9.039 2.488 ( -2.328 -7.813 -4.196) 9.169 2.536 ( -0.260 3.935 1.591) 4.252 2.685 ( -17.942 3.550 22.483) 28.982 2.946 ( -3.961 4.702 -5.101) 7.988 3.348 ( -10.307 -2.645 -13.104) 16.881 3.438 ( -12.748 1.620 -13.567) 18.687 3.817 ( -1.358 -7.311 4.008) 8.447 4.095 ( 1.688 0.369 -1.174) 2.089 4.513 ( -1.531 -0.940 -0.497) 1.864 4.661 ( -2.819 6.107 0.431) 6.740 4.761 ( -0.014 1.865 -1.666) 2.501 5.283 ( 11.925 4.445 6.833) 14.445 5.749 ( 8.726 0.169 2.188) 8.998 5.757 ( 3.180 -0.661 5.008) 5.969 6.388 ( 3.772 -2.043 -1.235) 4.464 6.551 ( 4.992 2.359 -7.819) 9.572 6.795 ( -1.469 3.501 -4.211) 5.670 6.917 ( -8.583 -1.434 -5.684) 10.394 7.162 ( -8.097 -1.631 3.174) 8.849 7.175 ( -8.426 1.253 -7.089) 11.082 7.396 ( -8.125 -2.371 -2.556) 8.842 7.609 ( -6.941 1.845 9.006) 11.519 7.775 ( 8.115 -3.086 0.227) 8.685 8.235 ( -4.858 -6.446 5.224) 9.615 8.365 ( -0.332 -11.959 0.837) 11.993 8.564 ( 6.125 0.483 4.179) 7.431 8.760 ( -3.214 1.094 -0.474) 3.428 8.979 ( -5.806 -2.159 -4.161) 7.462 9.277 ( 5.330 10.161 0.399) 11.481 9.622 ( -3.495 -2.863 4.944) 6.698 9.744 ( 0.860 -1.938 -3.585) 4.165 9.944 ( 8.225 -4.401 1.924) 9.525 10.083 ( 9.791 2.029 5.243) 11.290 10.542 ( -0.130 -16.983 -3.693) 17.380 11.235 ( -5.392 16.140 -5.762) 17.966 11.679 ( 12.491 5.396 6.485) 15.073 12.409 ( -0.549 -0.747 -1.316) 1.610 12.978 ( -3.415 -4.286 4.042) 6.810 13.349 ( 0.394 8.429 -11.808) 14.513======================= Grid point 472 (222/355) =======================q-point: (-0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 9.020 0.622 24.796) 26.393 1.729 ( -7.686 1.574 22.747) 24.062 2.258 ( 9.958 -5.376 12.273) 16.694 2.483 ( 2.878 2.659 25.557) 25.855 2.513 ( 2.856 4.759 8.146) 9.857 2.594 ( 4.234 -0.315 -4.164) 5.947 2.827 ( -5.732 2.163 -6.206) 8.721 3.165 ( -10.117 -2.137 -17.489) 20.317 3.207 ( -6.471 1.639 -13.513) 15.072 3.824 ( 1.606 -0.953 -4.433) 4.810 4.161 ( 2.473 -0.247 1.096) 2.716 4.415 ( -6.526 0.294 -1.447) 6.691 4.671 ( 5.271 3.628 1.861) 6.664 4.783 ( 3.313 0.944 -3.875) 5.185 5.521 ( 13.365 1.378 9.239) 16.306 5.800 ( 1.173 -0.928 2.137) 2.608 5.902 ( 6.419 0.410 2.997) 7.096 6.383 ( -6.796 -2.599 -8.841) 11.450 6.589 ( 0.048 1.547 -4.481) 4.741 6.696 ( -8.810 3.823 -3.836) 10.341 6.792 ( -1.501 -0.233 -0.616) 1.640 6.988 ( -9.582 -0.209 -3.614) 10.243 7.062 ( -4.100 -1.139 2.937) 5.170 7.287 ( -1.863 -1.312 -4.063) 4.658 7.528 ( -2.684 -0.043 12.491) 12.776 7.939 ( 8.007 -2.090 0.980) 8.333 8.206 ( -1.096 -1.426 5.625) 5.906 8.408 ( -0.029 -7.477 -0.989) 7.542 8.667 ( -1.464 -3.192 -0.276) 3.523 8.740 ( 5.069 -0.221 5.379) 7.394 8.878 ( -2.851 -0.199 -1.301) 3.140 9.241 ( -3.833 5.917 -5.702) 9.067 9.533 ( -7.762 -2.071 3.581) 8.796 9.812 ( 3.471 -0.702 -0.501) 3.576 10.102 ( 6.512 -1.987 1.824) 7.048 10.205 ( 4.378 1.978 -0.112) 4.806 10.665 ( 0.022 -18.581 1.951) 18.683 11.035 ( -3.263 13.885 -8.790) 16.754 11.902 ( 12.236 4.657 8.346) 15.526 12.342 ( -6.584 0.454 -4.604) 8.047 12.974 ( 0.190 -4.804 2.969) 5.651 13.299 ( 0.485 8.827 -10.574) 13.783======================= Grid point 475 (223/355) =======================q-point: ( 0.17 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 6.569 -0.000 -3.359) 7.378 2.124 ( -5.744 0.000 -5.566) 7.998 2.350 ( -0.677 0.000 0.560) 0.878 2.428 ( 9.334 -0.000 16.369) 18.843 2.702 ( 2.183 -0.000 5.542) 5.957 3.101 ( -3.760 0.000 1.077) 3.911 3.157 ( 7.760 -0.000 -8.324) 11.381 3.362 ( 10.852 -0.000 -5.638) 12.229 3.969 ( 6.119 -0.000 -0.607) 6.149 4.261 ( 6.375 -0.000 1.330) 6.512 4.642 ( 11.442 -0.000 1.199) 11.505 4.734 ( -14.160 0.000 -3.216) 14.521 5.015 ( -12.164 0.000 10.260) 15.913 5.114 ( 14.225 -0.000 -4.687) 14.978 5.332 ( 11.188 -0.000 -7.997) 13.752 5.562 ( -0.526 0.000 -11.385) 11.398 5.578 ( -2.764 0.000 -3.590) 4.531 6.084 ( -11.347 0.000 -6.547) 13.100 6.138 ( -0.993 0.000 3.404) 3.546 6.391 ( -4.583 0.000 11.147) 12.053 7.026 ( 9.882 -0.000 9.393) 13.634 7.106 ( 6.369 -0.000 9.169) 11.164 7.388 ( -1.081 0.000 -1.273) 1.670 7.528 ( 4.211 -0.000 11.103) 11.875 7.598 ( 12.158 -0.000 7.640) 14.359 8.005 ( -5.148 0.000 -1.608) 5.393 8.329 ( -3.791 0.000 0.944) 3.906 8.394 ( 0.557 -0.000 2.858) 2.911 8.621 ( -7.604 0.000 4.968) 9.083 8.767 ( -4.908 0.000 -10.484) 11.576 8.932 ( 4.335 -0.000 6.056) 7.448 9.177 ( -3.825 0.000 2.862) 4.777 9.329 ( 6.759 -0.000 -5.437) 8.674 9.672 ( 4.422 -0.000 2.029) 4.865 9.943 ( 1.466 -0.000 -3.733) 4.011 10.097 ( -7.868 0.000 -5.306) 9.490 10.240 ( -2.177 0.000 3.329) 3.977 11.172 ( -13.957 0.000 -16.254) 21.424 11.690 ( 6.882 -0.000 0.703) 6.918 12.203 ( -3.581 0.000 0.246) 3.589 13.154 ( 0.826 -0.000 3.955) 4.040 13.434 ( 2.526 -0.000 -4.667) 5.306======================= Grid point 476 (224/355) =======================q-point: ( 0.25 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 6.894 0.563 -3.652) 7.822 2.042 ( -2.882 -0.657 -1.288) 3.224 2.318 ( -2.249 -0.708 -0.891) 2.520 2.552 ( 2.194 -0.364 10.817) 11.043 2.809 ( 8.041 0.980 4.734) 9.383 3.076 ( 1.723 -1.752 1.222) 2.745 3.276 ( 4.884 -0.230 -9.075) 10.308 3.535 ( 6.969 -0.079 -4.525) 8.309 4.046 ( -1.911 1.869 -2.960) 3.988 4.282 ( -0.501 1.143 -5.228) 5.375 4.519 ( -4.388 0.969 -0.887) 4.581 4.797 ( -1.672 -1.390 7.631) 7.935 4.896 ( 3.049 -0.623 7.703) 8.308 5.248 ( -2.697 -0.332 -8.711) 9.125 5.422 ( -1.476 -0.349 -1.810) 2.362 5.520 ( 8.152 0.844 -4.206) 9.212 5.698 ( 7.394 1.455 -5.563) 9.366 5.810 ( -14.184 -0.849 -11.168) 18.073 6.170 ( 2.764 1.809 7.266) 7.981 6.309 ( -5.962 -3.550 9.086) 11.433 7.186 ( 6.656 4.352 9.110) 12.093 7.243 ( 5.499 -5.025 9.983) 12.456 7.394 ( 2.763 0.857 -2.929) 4.117 7.598 ( 1.712 1.326 14.230) 14.394 7.823 ( 9.883 0.897 5.782) 11.485 7.903 ( -4.533 -2.223 -4.466) 6.741 8.258 ( -3.810 -0.897 2.025) 4.407 8.394 ( -0.310 1.996 3.321) 3.887 8.529 ( -2.775 -0.439 4.976) 5.714 8.631 ( -7.058 1.556 -12.686) 14.600 9.011 ( 2.167 6.210 7.071) 9.657 9.092 ( -3.545 -7.587 0.494) 8.389 9.444 ( 6.666 3.175 -3.400) 8.129 9.780 ( 4.667 -0.663 -1.681) 5.005 9.940 ( -7.402 -1.431 -2.269) 7.873 10.021 ( 5.012 0.462 -2.223) 5.502 10.210 ( -0.160 0.279 3.677) 3.691 10.916 ( -11.853 -2.057 -16.098) 20.096 11.811 ( 6.329 1.689 1.242) 6.667 12.121 ( -5.069 -1.015 -2.019) 5.550 13.168 ( 0.326 0.130 4.809) 4.822 13.466 ( 1.259 -0.180 -4.500) 4.676======================= Grid point 477 (225/355) =======================q-point: ( 0.33 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 6.717 2.988 -1.751) 7.557 2.006 ( 0.502 3.090 0.989) 3.283 2.288 ( -1.499 -1.348 1.482) 2.502 2.588 ( 1.838 -1.897 7.114) 7.589 2.952 ( 5.508 1.163 0.994) 5.716 3.155 ( 4.279 -1.306 -3.379) 5.607 3.311 ( 0.141 -0.912 -8.217) 8.269 3.600 ( -0.399 -0.725 -4.677) 4.750 3.851 ( -13.766 -0.987 -2.049) 13.953 4.285 ( 2.437 -0.432 -3.864) 4.589 4.554 ( 3.790 6.631 4.593) 8.912 4.708 ( -7.301 -2.976 8.646) 11.701 5.000 ( 3.790 0.266 3.071) 4.885 5.140 ( -1.065 -0.952 -4.771) 4.980 5.446 ( -0.417 -0.760 -3.537) 3.642 5.532 ( -10.983 -1.262 -7.581) 13.405 5.608 ( -0.789 3.211 -2.635) 4.228 5.811 ( 5.363 1.823 -3.975) 6.920 6.204 ( -4.163 -2.526 4.905) 6.911 6.292 ( 7.081 -2.397 5.503) 9.283 7.246 ( 1.456 4.146 9.420) 10.395 7.359 ( 2.812 -3.954 7.581) 9.001 7.485 ( 6.613 0.148 0.544) 6.637 7.594 ( -2.212 -0.004 13.390) 13.572 7.784 ( -5.144 2.594 -6.656) 8.803 8.033 ( 7.658 -4.337 0.650) 8.825 8.205 ( -2.629 -1.561 1.674) 3.486 8.377 ( -0.415 1.272 8.324) 8.431 8.470 ( -4.124 4.893 -6.996) 9.481 8.539 ( 0.369 -1.018 -0.766) 1.326 8.932 ( -5.588 -0.375 -2.760) 6.243 9.170 ( 4.944 -2.259 8.870) 10.403 9.539 ( 5.812 7.000 0.179) 9.100 9.712 ( -9.089 -3.109 -10.794) 14.449 9.944 ( 3.975 0.368 4.009) 5.657 10.041 ( -2.442 -0.969 -1.427) 2.990 10.291 ( 8.756 3.810 2.266) 9.814 10.725 ( -8.757 -6.457 -14.294) 17.964 11.918 ( 5.966 2.518 1.877) 6.742 12.024 ( -5.267 -1.113 -3.949) 6.676 13.175 ( 0.071 0.235 5.098) 5.104 13.478 ( 0.385 -0.165 -4.585) 4.604======================= Grid point 478 (226/355) =======================q-point: (-0.58 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( -0.009 12.089 6.049) 13.518 2.111 ( 6.187 1.847 -3.324) 7.262 2.269 ( 0.229 3.547 0.833) 3.650 2.684 ( 5.637 -4.655 6.442) 9.744 2.909 ( -9.159 2.091 -2.015) 9.608 3.224 ( 3.954 0.175 -5.671) 6.916 3.357 ( 3.991 -2.826 -4.878) 6.907 3.478 ( -12.976 -7.635 -14.219) 20.709 3.652 ( -8.042 -1.302 10.489) 13.282 4.387 ( 6.733 1.860 0.593) 7.010 4.498 ( -4.773 1.539 3.544) 6.141 4.557 ( -9.420 -1.482 0.803) 9.569 5.019 ( -1.647 0.982 0.353) 1.950 5.281 ( 9.402 3.196 -0.615) 9.949 5.340 ( -7.806 0.419 0.202) 7.820 5.365 ( -5.032 -2.036 -5.652) 7.837 5.545 ( -3.354 2.600 2.533) 4.942 5.877 ( 2.479 1.599 -1.906) 3.512 6.151 ( -1.573 -2.742 0.446) 3.193 6.521 ( 13.411 -4.142 3.574) 14.484 7.228 ( -1.741 3.754 6.591) 7.782 7.403 ( -0.235 -2.072 10.268) 10.477 7.527 ( -2.178 1.155 4.691) 5.300 7.642 ( -4.528 -0.313 -3.952) 6.018 7.665 ( 4.702 -0.734 2.699) 5.471 8.105 ( -3.174 -1.056 -0.553) 3.391 8.174 ( -2.676 -4.924 -4.268) 7.044 8.397 ( 4.690 5.284 4.308) 8.275 8.439 ( 2.812 -0.393 0.985) 3.006 8.567 ( 1.089 -1.948 2.149) 3.098 8.831 ( -4.883 -2.200 -6.463) 8.394 9.272 ( 3.372 -0.820 9.085) 9.725 9.489 ( -8.314 1.104 -6.965) 10.902 9.639 ( 3.264 6.374 2.127) 7.470 9.956 ( -3.368 -0.322 -1.385) 3.656 10.020 ( 0.317 -1.077 1.214) 1.654 10.421 ( 5.173 6.091 -1.529) 8.136 10.676 ( 2.825 -8.451 -9.053) 12.702 11.917 ( -4.880 0.072 -6.312) 7.979 12.031 ( 5.961 1.513 3.226) 6.945 13.174 ( -0.654 0.150 4.888) 4.934 13.476 ( -0.059 0.099 -5.070) 5.071======================= Grid point 479 (227/355) =======================q-point: (-0.50 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 0.941 17.014 9.915) 19.715 2.057 ( -8.348 9.220 -1.456) 12.523 2.333 ( 7.882 5.217 -4.828) 10.614 2.661 ( -13.071 -1.550 3.108) 13.525 2.844 ( 4.989 -1.910 3.535) 6.406 3.197 ( -13.661 -13.833 -8.194) 21.098 3.341 ( 2.786 0.978 -3.559) 4.624 3.415 ( 0.841 0.400 -3.645) 3.762 3.547 ( -5.503 -6.016 7.550) 11.112 4.269 ( -14.064 -0.224 2.644) 14.312 4.409 ( -3.588 0.200 -2.603) 4.437 4.629 ( 11.006 -0.499 0.875) 11.052 4.939 ( -5.687 -0.973 -4.524) 7.332 5.074 ( -18.485 -0.646 -0.675) 18.509 5.256 ( -0.816 3.421 0.575) 3.564 5.352 ( -4.559 5.022 5.605) 8.799 5.678 ( 13.883 -0.210 4.974) 14.749 5.882 ( 0.822 2.533 1.115) 2.887 6.197 ( 5.325 -1.046 -6.104) 8.168 6.802 ( 11.562 -6.023 5.275) 14.064 7.163 ( -2.721 4.560 1.124) 5.428 7.397 ( -2.474 1.486 5.913) 6.580 7.460 ( -1.664 1.264 2.850) 3.534 7.556 ( -4.071 -4.686 1.160) 6.315 7.756 ( -0.375 -0.157 1.404) 1.462 8.017 ( -3.569 1.260 -1.203) 3.971 8.108 ( -5.513 -3.070 -2.027) 6.628 8.440 ( -2.546 -3.767 -3.304) 5.620 8.538 ( 5.000 -5.177 1.417) 7.336 8.622 ( 4.157 -0.825 4.684) 6.317 8.781 ( 0.238 -0.042 -7.605) 7.609 9.261 ( -4.921 -3.511 -5.690) 8.302 9.403 ( 2.244 6.259 11.635) 13.401 9.663 ( 1.668 4.922 5.120) 7.295 9.884 ( -3.981 -1.341 -2.898) 5.104 10.008 ( -2.085 0.027 -0.336) 2.112 10.431 ( -0.507 -1.044 -5.510) 5.631 10.884 ( 15.531 1.955 -1.788) 15.756 11.815 ( -4.947 0.952 -8.054) 9.499 12.145 ( 6.137 0.404 3.979) 7.325 13.153 ( -2.272 -0.347 4.506) 5.058 13.466 ( -0.117 0.919 -6.359) 6.426======================= Grid point 480 (228/355) =======================q-point: (-0.42 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.749 ( -10.644 19.177 1.155) 21.963 1.856 ( 0.113 13.498 13.467) 19.068 2.412 ( -4.625 0.133 2.940) 5.482 2.454 ( -2.409 2.384 -3.721) 5.033 2.779 ( -13.725 -6.771 -1.873) 15.418 3.108 ( 0.884 -1.036 1.762) 2.227 3.356 ( -3.946 -1.703 5.352) 6.864 3.461 ( -8.468 -10.290 6.190) 14.694 3.480 ( 6.530 -0.621 -8.197) 10.498 3.983 ( -15.042 0.383 -2.994) 15.342 4.380 ( -0.104 -1.119 -1.852) 2.167 4.668 ( -22.040 -1.753 0.774) 22.123 4.769 ( -1.657 -2.860 -0.030) 3.305 4.931 ( 8.609 2.511 -3.028) 9.465 5.128 ( -8.305 5.844 3.808) 10.845 5.382 ( 7.742 2.344 4.534) 9.273 5.766 ( -2.297 0.300 5.435) 5.908 6.041 ( 13.890 2.882 3.818) 14.691 6.328 ( 8.662 0.696 -10.409) 13.560 6.935 ( -1.379 -1.126 4.083) 4.454 7.125 ( 0.057 1.637 -0.046) 1.638 7.349 ( -0.144 0.199 -0.118) 0.272 7.473 ( 0.396 -0.224 9.996) 10.007 7.507 ( -3.055 -4.838 -2.032) 6.072 7.626 ( -9.993 4.180 -5.928) 12.348 7.955 ( -4.355 1.740 0.447) 4.711 8.035 ( -3.971 -8.008 2.098) 9.182 8.364 ( -8.661 -12.039 -3.110) 15.153 8.586 ( -0.888 -0.949 -8.232) 8.334 8.733 ( 4.832 -2.219 6.559) 8.444 8.847 ( 7.269 1.166 -2.289) 7.709 9.245 ( 2.078 -1.255 -2.905) 3.786 9.459 ( 6.348 5.504 11.652) 14.365 9.662 ( -0.802 0.412 5.831) 5.900 9.825 ( -2.446 -1.346 -2.075) 3.479 9.947 ( -3.741 -0.234 -1.837) 4.174 10.426 ( -0.901 -3.723 -5.642) 6.819 11.190 ( 19.085 9.363 2.667) 21.425 11.701 ( -5.510 2.149 -9.211) 10.947 12.261 ( 5.344 -0.990 3.991) 6.743 13.098 ( -4.330 -1.132 4.403) 6.278 13.454 ( 0.543 2.561 -8.955) 9.330======================= Grid point 481 (229/355) =======================q-point: (-0.33 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.455 ( -9.090 13.912 8.137) 18.504 1.849 ( 5.132 17.162 18.925) 26.058 2.229 ( -10.338 -1.980 8.261) 13.380 2.445 ( -4.745 -5.291 -6.567) 9.677 2.593 ( -5.243 -2.753 0.522) 5.945 3.080 ( -9.424 6.650 -0.407) 11.541 3.131 ( -11.283 3.318 15.842) 19.730 3.431 ( -2.509 -7.646 -9.021) 12.088 3.615 ( 3.880 -7.533 -0.341) 8.481 3.713 ( -12.656 -0.763 -6.873) 14.422 4.234 ( -15.213 0.755 0.866) 15.256 4.466 ( 1.795 -2.793 0.166) 3.324 4.749 ( 0.316 -0.213 -4.541) 4.557 4.908 ( -9.208 5.453 4.736) 11.703 5.150 ( 11.727 5.182 2.996) 13.167 5.559 ( 10.644 0.858 2.593) 10.989 5.729 ( -1.104 0.269 5.202) 5.325 6.252 ( 8.387 -0.011 1.866) 8.592 6.479 ( 8.740 3.361 -9.612) 13.419 6.877 ( -2.146 2.770 -1.329) 3.748 7.052 ( -6.712 0.422 -0.925) 6.789 7.301 ( -7.967 -2.535 3.587) 9.098 7.387 ( -11.301 0.260 -8.597) 14.202 7.461 ( -2.621 -0.028 5.063) 5.702 7.573 ( 7.320 -1.861 -3.372) 8.271 7.815 ( -9.008 2.587 0.950) 9.420 8.056 ( -1.027 -15.210 8.161) 17.291 8.266 ( -6.775 -11.662 -3.153) 13.851 8.562 ( 0.640 3.907 -3.135) 5.050 8.799 ( 0.527 -0.651 2.867) 2.987 8.972 ( 3.602 -1.826 -1.798) 4.420 9.298 ( 5.238 5.715 0.992) 7.815 9.632 ( 10.499 -0.520 3.053) 10.947 9.635 ( -3.079 -4.082 4.312) 6.689 9.794 ( -2.037 -0.900 0.044) 2.228 9.925 ( 3.300 -1.888 2.739) 4.686 10.417 ( -2.316 -5.784 -5.154) 8.086 11.484 ( 15.972 16.923 2.903) 23.451 11.570 ( -4.595 0.199 -6.431) 7.906 12.355 ( 3.259 -1.878 3.073) 4.857 13.015 ( -5.386 -1.911 4.923) 7.543 13.446 ( 1.816 5.219 -12.793) 13.935======================= Grid point 482 (230/355) =======================q-point: (-0.25 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( 2.118 7.458 18.862) 20.394 1.869 ( 0.740 12.314 22.754) 25.883 2.113 ( -2.073 -2.945 9.739) 10.383 2.387 ( -3.125 -11.486 -2.105) 12.088 2.563 ( -1.488 1.153 2.809) 3.382 2.746 ( -12.662 8.077 18.927) 24.162 3.006 ( -5.225 6.673 -5.698) 10.212 3.323 ( -9.174 -2.080 -13.369) 16.347 3.450 ( -13.357 0.640 -12.794) 18.506 3.724 ( 1.368 -10.293 6.213) 12.100 4.100 ( 1.194 0.552 -0.450) 1.390 4.519 ( 0.701 1.907 -1.521) 2.538 4.717 ( -3.976 4.493 0.434) 6.015 4.782 ( 0.932 1.910 -1.882) 2.839 5.339 ( 11.151 6.108 6.441) 14.253 5.740 ( 2.628 -1.418 3.852) 4.873 5.758 ( 8.656 0.511 2.802) 9.112 6.362 ( 2.563 -2.792 -2.676) 4.639 6.587 ( 5.271 4.403 -5.738) 8.950 6.838 ( -0.579 4.553 -4.009) 6.094 6.901 ( -8.551 -1.424 -3.598) 9.386 7.141 ( -8.725 -2.259 2.966) 9.489 7.188 ( -9.009 0.960 -7.418) 11.709 7.370 ( -7.800 -2.360 -0.802) 8.188 7.626 ( -8.432 0.966 6.038) 10.416 7.736 ( 7.625 -4.037 0.451) 8.639 8.126 ( -1.135 -13.328 8.560) 15.881 8.257 ( 0.355 -8.774 -0.547) 8.798 8.583 ( 3.733 2.996 1.333) 4.969 8.768 ( -3.433 0.219 0.985) 3.578 8.959 ( -4.492 -1.418 -3.817) 6.062 9.378 ( 4.291 8.813 -0.699) 9.827 9.583 ( -4.752 -4.601 4.978) 8.278 9.718 ( 1.092 -2.873 -5.223) 6.060 9.899 ( 9.261 -3.981 2.506) 10.387 10.095 ( 11.401 -0.108 8.230) 14.062 10.394 ( -3.504 -11.176 -3.439) 12.207 11.365 ( -8.101 8.813 -10.620) 16.002 11.762 ( 14.800 10.441 8.783) 20.130 12.396 ( -0.454 -1.692 0.953) 1.994 12.940 ( -3.808 -2.812 5.695) 7.405 13.439 ( 2.213 8.559 -16.087) 18.356======================= Grid point 483 (231/355) =======================q-point: (-0.17 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 9.276 3.323 23.709) 25.675 1.749 ( -9.794 1.972 21.461) 23.672 2.199 ( 4.740 -5.558 12.439) 14.425 2.470 ( 6.752 -7.560 2.739) 10.500 2.526 ( 2.672 1.829 17.471) 17.769 2.675 ( 6.631 13.409 7.374) 16.677 2.857 ( -6.105 3.661 -6.218) 9.452 3.142 ( -11.258 -2.161 -17.089) 20.578 3.229 ( -4.571 2.695 -12.054) 13.170 3.804 ( 3.673 -3.114 -1.215) 4.966 4.158 ( 2.339 -0.400 1.595) 2.859 4.426 ( -6.429 1.835 -2.292) 7.068 4.715 ( 4.397 4.358 0.253) 6.196 4.799 ( 2.433 2.073 -4.212) 5.287 5.539 ( 11.060 1.883 8.315) 13.965 5.787 ( 1.504 -1.542 2.478) 3.283 5.909 ( 6.584 0.989 2.598) 7.147 6.350 ( -6.365 -3.467 -8.039) 10.824 6.614 ( -0.337 3.178 -3.384) 4.654 6.743 ( -7.878 4.661 -2.439) 9.472 6.790 ( -1.836 0.129 -1.944) 2.677 6.983 ( -9.387 -0.751 -2.638) 9.780 7.048 ( -3.830 -1.214 2.069) 4.519 7.267 ( -2.129 -2.476 -3.226) 4.591 7.528 ( -3.054 -0.071 10.850) 11.272 7.905 ( 8.003 -4.563 1.634) 9.356 8.171 ( 0.039 -5.957 5.056) 7.813 8.322 ( 1.074 -7.575 1.134) 7.734 8.632 ( -0.723 -2.687 -0.380) 2.808 8.734 ( 1.161 -1.409 2.309) 2.943 8.882 ( -0.930 1.313 0.908) 1.848 9.307 ( -5.765 6.314 -6.539) 10.764 9.503 ( -6.832 -3.655 3.766) 8.615 9.802 ( 4.187 -1.254 -1.052) 4.496 10.076 ( 7.089 -2.920 1.788) 7.873 10.228 ( 1.923 1.953 -3.054) 4.103 10.483 ( 4.955 -15.809 7.298) 18.103 11.152 ( -7.150 8.824 -11.212) 15.959 11.969 ( 10.990 7.958 8.838) 16.193 12.347 ( -5.187 0.411 -2.486) 5.767 12.927 ( 0.189 -3.935 5.351) 6.645 13.404 ( 0.934 10.692 -15.786) 19.089======================= Grid point 484 (232/355) =======================q-point: (-0.08 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -5.625 -1.485 21.204) 21.987 1.706 ( 9.741 6.150 21.945) 24.785 2.304 ( 0.928 -9.638 9.660) 13.678 2.620 ( 2.508 6.701 -1.412) 7.293 2.644 ( 4.399 -4.451 3.769) 7.305 2.768 ( 4.852 0.962 -1.147) 5.078 2.924 ( 10.821 4.964 8.973) 14.908 2.961 ( 6.755 1.269 0.098) 6.874 3.171 ( 0.086 6.315 -15.799) 17.015 3.935 ( 10.011 -0.313 -6.908) 12.167 4.162 ( -1.149 -0.353 5.111) 5.250 4.326 ( -2.440 -0.008 -2.888) 3.781 4.805 ( 6.561 2.046 1.762) 7.095 4.859 ( 4.856 -0.532 -6.302) 7.974 5.682 ( 0.350 -4.792 3.885) 6.179 5.819 ( 0.960 0.307 -1.319) 1.660 5.999 ( 2.285 0.832 5.256) 5.791 6.152 ( -12.152 1.100 -13.607) 18.276 6.474 ( -11.022 3.056 0.482) 11.448 6.575 ( -2.132 2.650 1.882) 3.887 6.850 ( -4.951 0.517 -4.114) 6.458 6.878 ( 7.545 -0.201 7.994) 10.994 7.005 ( -1.808 0.118 0.664) 1.929 7.291 ( 2.291 -2.459 0.298) 3.374 7.504 ( -1.211 -0.702 9.823) 9.922 8.087 ( 8.251 -1.782 -0.133) 8.442 8.194 ( 0.125 -3.317 4.850) 5.877 8.362 ( -1.108 -6.947 0.740) 7.074 8.640 ( 1.352 -3.253 0.033) 3.523 8.773 ( 2.603 -3.339 -0.233) 4.240 8.963 ( 7.113 0.727 9.031) 11.519 9.135 ( -8.266 3.299 -8.606) 12.381 9.358 ( -9.521 0.076 0.941) 9.567 9.814 ( -3.194 -0.183 0.675) 3.269 10.185 ( 2.225 -2.758 -0.507) 3.579 10.251 ( 1.714 -2.700 -5.781) 6.607 10.547 ( -6.558 -0.690 3.968) 7.696 11.097 ( 6.399 -0.878 -7.155) 9.639 12.065 ( -3.285 -0.284 2.390) 4.072 12.228 ( -0.956 7.861 -1.330) 8.029 12.988 ( 3.162 -3.892 3.488) 6.108 13.351 ( 0.793 9.015 -11.451) 14.595======================= Grid point 488 (233/355) =======================q-point: ( 0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.969 ( 8.350 -0.000 -3.527) 9.064 2.027 ( 0.834 -0.000 2.531) 2.665 2.278 ( -1.395 0.000 1.466) 2.023 2.578 ( 1.279 -0.000 7.472) 7.581 2.960 ( 5.726 -0.000 0.687) 5.767 3.147 ( 4.986 -0.000 -1.071) 5.100 3.307 ( -0.171 0.000 -10.172) 10.174 3.595 ( -1.511 0.000 -6.684) 6.852 3.847 ( -14.493 0.000 -0.375) 14.498 4.282 ( 3.038 -0.000 -3.616) 4.723 4.596 ( 3.870 -0.000 2.512) 4.613 4.686 ( -7.837 0.000 10.640) 13.215 5.001 ( 4.099 -0.000 3.401) 5.326 5.136 ( -0.521 0.000 -5.061) 5.088 5.441 ( -0.220 0.000 -3.613) 3.620 5.525 ( -11.517 0.000 -8.199) 14.137 5.626 ( -0.375 0.000 -2.849) 2.873 5.821 ( 5.218 -0.000 -3.927) 6.531 6.190 ( -5.559 0.000 5.947) 8.141 6.279 ( 8.136 -0.000 5.392) 9.761 7.281 ( 0.572 -0.000 10.727) 10.742 7.323 ( 3.867 -0.000 6.541) 7.599 7.488 ( 6.944 -0.000 -0.694) 6.978 7.593 ( -3.497 0.000 14.512) 14.928 7.801 ( -4.700 0.000 -7.228) 8.622 8.007 ( 7.326 -0.000 -0.224) 7.329 8.196 ( -2.552 0.000 2.501) 3.573 8.383 ( -1.023 0.000 9.050) 9.107 8.516 ( 0.371 -0.000 3.647) 3.666 8.516 ( -3.522 0.000 -12.111) 12.613 8.926 ( -6.856 0.000 -4.591) 8.252 9.159 ( 6.160 -0.000 11.565) 13.103 9.582 ( 6.878 -0.000 -0.387) 6.889 9.690 ( -9.752 0.000 -10.748) 14.513 9.947 ( 4.414 -0.000 4.486) 6.293 10.035 ( -3.071 0.000 -1.579) 3.453 10.314 ( 10.172 -0.000 1.942) 10.356 10.688 ( -9.984 0.000 -14.189) 17.350 11.932 ( 5.909 -0.000 1.910) 6.210 12.017 ( -5.242 0.000 -4.249) 6.748 13.176 ( 0.059 -0.000 5.094) 5.094 13.477 ( 0.433 -0.000 -4.587) 4.608======================= Grid point 489 (234/355) =======================q-point: (-0.67 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 2.019 6.991 4.725) 8.676 2.116 ( 5.567 -0.949 -2.881) 6.340 2.289 ( 3.264 0.649 3.301) 4.687 2.647 ( 4.990 -2.009 6.433) 8.385 2.933 ( -8.686 1.774 -3.590) 9.565 3.220 ( 1.058 -0.839 -4.604) 4.797 3.333 ( 4.325 -1.121 -6.116) 7.574 3.418 ( -12.642 -3.347 -16.170) 20.796 3.649 ( -8.447 0.061 12.604) 15.173 4.401 ( 8.323 0.761 0.110) 8.358 4.515 ( -8.456 1.555 4.927) 9.909 4.539 ( -8.618 -1.667 -0.023) 8.778 5.025 ( -2.226 0.204 -0.616) 2.319 5.313 ( 9.467 2.728 -2.355) 10.130 5.339 ( 0.396 -1.698 -2.000) 2.654 5.351 ( -9.288 0.083 -1.136) 9.358 5.563 ( -5.644 0.806 2.337) 6.162 5.887 ( 1.971 0.391 -1.328) 2.408 6.132 ( -0.463 -0.941 0.624) 1.221 6.491 ( 12.797 -1.540 3.653) 13.397 7.270 ( -1.232 3.662 8.181) 9.048 7.364 ( -0.979 -3.958 8.450) 9.382 7.536 ( -2.611 0.536 7.664) 8.114 7.639 ( 6.960 -0.036 0.844) 7.011 7.673 ( -6.651 0.974 -5.241) 8.524 8.079 ( -0.234 -2.280 -4.534) 5.081 8.152 ( -3.114 -0.484 0.060) 3.152 8.413 ( 2.603 -0.239 11.737) 12.024 8.478 ( 1.565 5.838 -6.159) 8.629 8.535 ( 0.493 -4.241 0.478) 4.296 8.811 ( -4.445 -1.183 -6.865) 8.264 9.266 ( 2.764 -0.312 9.027) 9.446 9.498 ( -7.768 0.607 -6.087) 9.887 9.686 ( 3.913 2.433 3.296) 5.665 9.952 ( -4.675 -0.258 -2.231) 5.186 10.012 ( 1.446 -0.414 1.945) 2.458 10.491 ( 0.302 6.973 -6.509) 9.544 10.589 ( 8.529 -7.867 -4.106) 12.308 11.917 ( -4.782 0.023 -6.699) 8.231 12.042 ( 5.687 0.548 3.071) 6.487 13.175 ( -0.769 0.060 4.885) 4.946 13.477 ( 0.123 0.038 -5.125) 5.127======================= Grid point 490 (235/355) =======================q-point: (-0.58 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 0.989 11.127 7.065) 13.217 2.129 ( -3.953 4.001 -1.167) 5.744 2.394 ( 7.781 5.916 0.274) 9.778 2.661 ( -12.396 2.598 0.970) 12.702 2.814 ( 5.375 -4.676 4.623) 8.493 3.054 ( -16.704 -11.987 -10.344) 23.015 3.355 ( 3.221 1.431 -6.838) 7.693 3.416 ( 1.778 -0.224 -2.264) 2.888 3.502 ( -7.079 -2.837 9.642) 12.293 4.268 ( -14.355 -0.029 2.802) 14.625 4.409 ( -4.475 -0.108 -3.663) 5.784 4.625 ( 11.051 -0.379 1.640) 11.179 4.929 ( -5.779 -0.863 -5.701) 8.163 5.072 ( -18.924 0.006 -0.802) 18.941 5.284 ( 0.734 1.871 1.210) 2.346 5.402 ( -6.468 4.262 6.243) 9.949 5.669 ( 13.522 -1.405 5.594) 14.700 5.902 ( 2.211 1.344 1.703) 3.097 6.192 ( 6.319 -0.110 -6.401) 8.996 6.750 ( 11.540 -3.712 4.849) 13.056 7.218 ( -1.868 5.917 4.014) 7.390 7.373 ( -1.391 -5.437 10.573) 11.970 7.477 ( -3.922 1.787 -5.560) 7.035 7.527 ( -5.364 -1.274 3.644) 6.608 7.764 ( 3.142 1.202 0.139) 3.367 8.034 ( -3.963 1.824 -1.445) 4.595 8.078 ( -4.806 -2.534 -3.317) 6.366 8.369 ( -9.165 -7.152 -0.113) 11.626 8.539 ( 5.953 2.957 -1.286) 6.770 8.605 ( 4.303 -2.346 2.549) 5.524 8.781 ( 1.681 -0.018 -6.274) 6.495 9.231 ( -4.347 -2.025 -5.634) 7.399 9.459 ( 3.152 4.166 13.484) 14.461 9.699 ( -1.485 2.029 5.733) 6.260 9.873 ( -3.508 -0.680 -3.845) 5.249 10.008 ( -1.999 -0.054 -0.521) 2.066 10.422 ( -2.205 -0.605 -7.735) 8.066 10.900 ( 19.066 0.993 0.973) 19.117 11.823 ( -4.382 0.565 -9.275) 10.274 12.148 ( 5.406 0.205 4.410) 6.979 13.150 ( -2.522 -0.161 4.603) 5.251 13.474 ( 0.351 0.529 -6.647) 6.677======================= Grid point 491 (236/355) =======================q-point: (-0.50 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( -12.238 11.801 -0.690) 17.015 2.009 ( 2.390 14.523 8.674) 17.084 2.394 ( -11.033 -3.242 6.959) 13.441 2.505 ( 2.030 7.430 -5.256) 9.325 2.719 ( -15.293 -4.519 -0.287) 15.949 3.040 ( 6.127 -12.233 7.315) 15.514 3.343 ( -2.633 0.015 2.177) 3.417 3.395 ( -9.397 -2.759 5.816) 11.390 3.477 ( 4.922 -0.364 -9.400) 10.617 3.984 ( -14.947 -0.102 -3.623) 15.381 4.368 ( 0.065 -1.177 -2.416) 2.688 4.659 ( -22.821 -0.181 0.991) 22.844 4.741 ( -1.428 -2.318 -0.576) 2.782 4.952 ( 10.477 1.555 -1.655) 10.720 5.182 ( -8.860 4.347 3.835) 10.588 5.403 ( 6.701 1.577 4.875) 8.436 5.762 ( -1.800 -0.833 6.222) 6.531 6.069 ( 12.542 2.261 4.253) 13.435 6.341 ( 10.305 1.607 -10.693) 14.936 6.911 ( 1.694 -2.922 5.432) 6.396 7.164 ( -0.922 5.519 0.909) 5.669 7.344 ( -3.306 -1.412 4.186) 5.517 7.449 ( -4.129 -5.344 -1.497) 6.917 7.467 ( 1.720 -0.979 5.136) 5.504 7.697 ( -6.837 8.618 -6.694) 12.877 7.928 ( -7.015 -5.189 -3.173) 9.285 8.006 ( -3.749 0.872 2.670) 4.685 8.218 ( -11.415 -14.871 -3.824) 19.133 8.595 ( 1.865 1.972 -7.759) 8.221 8.710 ( 4.606 -2.180 7.244) 8.857 8.858 ( 6.548 0.915 -3.368) 7.420 9.230 ( 3.780 -1.397 -2.944) 4.991 9.521 ( 4.378 6.036 13.252) 15.206 9.656 ( -2.444 -1.555 8.226) 8.721 9.814 ( -2.659 -0.776 -3.368) 4.361 9.943 ( -4.391 -0.469 -2.776) 5.216 10.397 ( -1.048 -2.002 -6.409) 6.796 11.267 ( 20.536 5.484 4.551) 21.738 11.725 ( -4.373 2.160 -11.663) 12.642 12.250 ( 4.501 -1.037 5.259) 7.000 13.089 ( -4.534 -0.604 4.727) 6.578 13.476 ( 1.424 1.763 -9.853) 10.110======================= Grid point 492 (237/355) =======================q-point: (-0.42 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -10.442 14.664 4.165) 18.478 2.016 ( 4.788 14.124 12.796) 19.651 2.205 ( -11.028 -3.135 9.165) 14.678 2.360 ( -13.568 -9.393 -0.170) 16.503 2.610 ( 1.236 5.587 0.546) 5.748 3.121 ( -18.370 0.738 17.191) 25.170 3.177 ( 1.941 4.049 -1.261) 4.663 3.330 ( -0.526 -9.876 -2.880) 10.300 3.555 ( 1.445 -3.707 -6.429) 7.560 3.710 ( -13.661 -0.473 -9.029) 16.382 4.245 ( -15.516 1.226 1.848) 15.674 4.442 ( 4.461 -1.802 -0.480) 4.835 4.742 ( 1.638 -0.902 -3.426) 3.903 4.960 ( -10.065 4.437 3.716) 11.610 5.199 ( 12.938 3.984 4.379) 14.228 5.565 ( 9.916 0.249 2.128) 10.145 5.729 ( -1.676 -0.193 5.530) 5.782 6.251 ( 6.841 -0.049 0.865) 6.895 6.521 ( 10.298 4.510 -8.434) 14.054 6.894 ( -2.163 0.251 0.601) 2.259 7.077 ( -6.140 4.398 -0.405) 7.563 7.274 ( -7.297 -2.677 3.363) 8.469 7.358 ( -8.886 -4.359 0.660) 9.919 7.490 ( -4.982 3.841 -2.446) 6.750 7.571 ( 4.865 2.086 -5.082) 7.338 7.800 ( -10.127 -6.805 -2.151) 12.389 7.947 ( -2.369 -4.369 9.511) 10.731 8.129 ( -4.845 -14.235 -4.750) 15.769 8.604 ( 1.846 4.130 -4.271) 6.221 8.786 ( 1.012 -1.703 5.068) 5.441 8.961 ( 3.243 -0.251 -2.973) 4.406 9.339 ( 7.353 2.428 0.196) 7.745 9.570 ( -1.513 -5.294 4.122) 6.878 9.667 ( 4.856 4.245 6.004) 8.812 9.785 ( -2.054 -0.772 0.194) 2.202 9.896 ( 1.998 -3.583 2.425) 4.765 10.374 ( -2.445 -2.764 -5.766) 6.846 11.562 ( 2.082 0.094 -0.705) 2.200 11.648 ( 10.391 12.784 -4.173) 16.994 12.332 ( 2.586 -2.461 5.107) 6.231 13.001 ( -5.371 -0.891 5.489) 7.731 13.494 ( 3.178 3.953 -14.774) 15.620======================= Grid point 493 (238/355) =======================q-point: (-0.33 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.440 ( 0.422 11.598 14.397) 18.492 1.961 ( -9.345 4.290 19.042) 21.641 2.114 ( 2.752 4.059 11.700) 12.686 2.255 ( -3.323 -13.824 -0.216) 14.219 2.568 ( -5.328 0.286 5.829) 7.902 2.844 ( -5.512 10.499 14.754) 18.928 3.076 ( -6.810 6.290 -7.434) 11.882 3.304 ( -7.213 -1.651 -12.712) 14.709 3.452 ( -13.013 -0.408 -11.828) 17.590 3.613 ( 3.261 -10.536 8.278) 13.790 4.106 ( 0.478 0.601 0.267) 0.813 4.547 ( 4.000 3.330 -1.952) 5.558 4.754 ( -6.055 2.633 0.124) 6.604 4.797 ( 1.955 0.924 -1.460) 2.609 5.403 ( 10.433 5.900 6.359) 13.568 5.726 ( 1.464 -1.297 4.223) 4.654 5.763 ( 9.522 0.328 1.786) 9.694 6.334 ( 1.480 -2.448 -3.754) 4.720 6.639 ( 5.320 5.545 -4.210) 8.762 6.862 ( -2.420 -0.996 -3.138) 4.086 6.914 ( -6.622 5.009 -1.921) 8.523 7.117 ( -9.255 -2.264 2.350) 9.813 7.190 ( -8.877 -0.749 -5.402) 10.418 7.351 ( -8.852 -1.150 -1.334) 9.025 7.614 ( -6.977 -4.053 4.079) 9.041 7.706 ( 4.706 -0.816 0.246) 4.783 7.995 ( 1.337 -11.045 9.625) 14.711 8.166 ( 2.037 -9.006 -2.494) 9.564 8.622 ( 2.470 4.260 -0.583) 4.959 8.763 ( -4.068 -1.011 2.896) 5.094 8.953 ( -2.988 0.277 -3.542) 4.642 9.449 ( 3.086 3.965 -0.098) 5.025 9.535 ( -4.199 -3.646 4.180) 6.957 9.688 ( 0.403 -2.633 -7.166) 7.645 9.866 ( 9.074 -2.283 3.006) 9.828 10.075 ( 11.987 -3.815 12.316) 17.605 10.315 ( -5.129 -4.235 -5.610) 8.701 11.425 ( -8.433 3.449 -11.961) 15.036 11.882 ( 14.415 11.955 8.727) 20.661 12.373 ( -0.359 -2.751 3.613) 4.556 12.920 ( -3.807 -1.108 6.460) 7.580 13.520 ( 3.669 6.933 -19.366) 20.894======================= Grid point 494 (239/355) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.513 ( 8.499 7.144 21.194) 23.926 1.768 ( -9.861 1.685 20.027) 22.387 2.148 ( -0.370 -4.243 15.182) 15.768 2.364 ( 6.401 -12.102 2.188) 13.864 2.544 ( 5.552 1.325 11.157) 12.533 2.819 ( 3.938 11.935 -1.478) 12.655 2.912 ( -2.288 8.492 3.943) 9.638 3.122 ( -11.457 -1.717 -16.639) 20.275 3.263 ( -2.755 3.940 -9.860) 10.969 3.758 ( 6.253 -5.688 2.829) 8.914 4.153 ( 2.126 -0.465 1.988) 2.947 4.453 ( -7.786 3.309 -3.140) 9.024 4.754 ( 4.726 2.953 -0.885) 5.643 4.824 ( 1.610 2.582 -4.225) 5.206 5.557 ( 7.260 1.490 6.884) 10.115 5.770 ( 1.998 -1.665 2.962) 3.941 5.924 ( 7.225 1.833 2.118) 7.749 6.315 ( -5.464 -3.298 -6.994) 9.468 6.652 ( -1.617 4.020 -2.702) 5.106 6.769 ( -3.400 0.115 2.893) 4.466 6.812 ( -5.608 4.250 -5.976) 9.232 6.972 ( -7.690 -1.350 -0.833) 7.852 7.041 ( -4.376 -0.149 0.613) 4.421 7.237 ( -2.627 -3.264 -2.615) 4.939 7.527 ( -3.099 -0.107 8.569) 9.113 7.843 ( 6.441 -7.298 3.192) 10.243 8.093 ( 2.506 -7.767 4.369) 9.257 8.260 ( 3.251 -5.105 0.196) 6.056 8.620 ( -2.412 0.251 -0.124) 2.428 8.710 ( -1.154 -2.838 1.200) 3.290 8.902 ( 0.261 2.023 2.294) 3.070 9.363 ( -7.755 4.201 -7.300) 11.449 9.462 ( -5.244 -3.935 3.979) 7.669 9.787 ( 5.227 -1.560 -1.934) 5.788 10.045 ( 7.416 -2.922 1.866) 8.186 10.227 ( -4.375 -3.650 -7.438) 9.370 10.359 ( 12.129 -6.734 13.339) 19.246 11.221 ( -9.054 4.686 -12.532) 16.155 12.058 ( 8.643 8.948 8.995) 15.352 12.348 ( -3.136 -0.232 0.283) 3.157 12.896 ( 0.110 -1.962 6.586) 6.873 13.510 ( 1.445 9.483 -20.091) 22.263======================= Grid point 495 (240/355) =======================q-point: (-0.17 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -5.306 0.728 20.366) 21.058 1.779 ( 11.026 7.979 20.621) 24.708 2.203 ( 0.843 -9.883 12.064) 15.619 2.580 ( 8.095 -6.968 6.012) 12.257 2.694 ( 3.677 6.146 -1.746) 7.372 2.756 ( 3.270 -2.670 -6.416) 7.680 2.910 ( -7.710 -0.887 -15.489) 17.325 3.087 ( 21.658 15.720 23.452) 35.584 3.237 ( 1.725 6.611 -13.568) 15.191 3.926 ( 9.705 -1.737 -4.718) 10.930 4.157 ( -1.201 -0.533 6.043) 6.184 4.324 ( -3.785 -0.477 -3.654) 5.283 4.831 ( 5.272 2.728 -0.175) 5.939 4.854 ( 3.384 -0.221 -5.968) 6.864 5.627 ( -2.551 -5.573 3.101) 6.869 5.812 ( 0.212 -1.432 -1.396) 2.011 6.016 ( 2.554 2.316 4.967) 6.047 6.165 ( -8.188 1.316 -9.641) 12.717 6.502 ( -11.118 2.126 -1.289) 11.393 6.615 ( -3.241 4.918 2.236) 6.300 6.859 ( -5.437 0.962 -2.461) 6.045 6.876 ( 8.477 0.090 7.446) 11.283 7.008 ( -0.392 0.527 -0.025) 0.657 7.258 ( 1.935 -3.857 0.963) 4.421 7.497 ( -1.560 -0.491 8.427) 8.584 8.027 ( 7.472 -10.652 1.454) 13.093 8.159 ( 1.278 -2.008 0.903) 2.546 8.315 ( 0.324 -2.072 2.646) 3.376 8.601 ( 0.986 -4.026 -0.855) 4.232 8.733 ( 2.111 -3.980 0.557) 4.539 8.969 ( 5.386 0.095 9.478) 10.902 9.164 ( -9.989 2.108 -8.532) 13.305 9.363 ( -6.507 0.854 1.015) 6.641 9.811 ( -3.033 -0.304 0.313) 3.064 10.147 ( 0.422 -4.413 -3.218) 5.478 10.214 ( 2.018 -4.148 -3.588) 5.844 10.548 ( 1.982 1.004 7.146) 7.483 11.085 ( -0.036 -1.257 -9.484) 9.567 12.074 ( -6.316 1.801 2.363) 6.980 12.308 ( 2.353 7.232 0.792) 7.646 12.953 ( 3.587 -2.722 5.034) 6.755 13.449 ( -0.386 9.486 -15.686) 18.336======================= Grid point 496 (241/355) =======================q-point: (-0.08 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 1.425 0.543 13.542) 13.628 1.981 ( 12.066 7.502 17.899) 22.852 2.282 ( 1.573 -6.358 11.310) 13.069 2.597 ( -7.807 6.283 -7.640) 12.601 2.629 ( -1.604 -4.074 -7.211) 8.436 2.893 ( 6.490 -3.380 -7.130) 10.217 2.991 ( 12.951 3.183 7.861) 15.481 3.199 ( 0.610 7.620 -13.074) 15.144 3.521 ( 25.153 6.009 20.690) 33.119 3.977 ( -4.450 -1.085 -5.494) 7.153 4.314 ( 8.064 -3.099 -2.589) 9.018 4.346 ( 14.697 -0.505 2.927) 14.994 4.922 ( 4.637 0.138 1.252) 4.805 4.951 ( 6.398 -2.643 -7.034) 9.869 5.519 ( -12.058 -6.251 1.784) 13.698 5.729 ( -9.538 -2.018 -11.258) 14.893 5.921 ( -8.832 5.942 -7.181) 12.841 6.054 ( -0.405 1.492 3.277) 3.623 6.448 ( 2.808 2.398 3.842) 5.329 6.547 ( -2.155 2.688 5.055) 6.117 6.746 ( -4.493 0.171 -0.289) 4.506 7.000 ( 1.354 2.419 1.854) 3.335 7.084 ( 11.523 0.853 10.872) 15.865 7.330 ( 3.157 -3.465 4.740) 6.667 7.472 ( -2.607 -1.995 4.545) 5.607 8.161 ( -0.845 1.050 0.744) 1.539 8.206 ( 4.165 -10.646 -0.048) 11.432 8.337 ( 1.986 -1.063 2.403) 3.293 8.682 ( 4.472 -3.656 1.226) 5.905 8.825 ( 2.164 -5.526 0.340) 5.944 8.979 ( -5.927 0.163 -5.462) 8.062 9.054 ( -0.372 -2.829 8.521) 8.986 9.244 ( -1.555 6.267 -1.424) 6.612 9.724 ( -5.126 -0.154 0.286) 5.136 10.126 ( -4.672 -4.370 -6.912) 9.418 10.264 ( 0.393 -2.271 2.765) 3.600 10.441 ( -6.737 8.782 -4.490) 11.945 11.219 ( 8.734 -8.255 -2.939) 12.372 11.853 ( -14.012 1.630 -5.582) 15.171 12.323 ( 2.018 7.961 2.429) 8.564 13.046 ( 3.920 -2.274 3.312) 5.613 13.397 ( 0.891 6.296 -9.673) 11.576======================= Grid point 501 (242/355) =======================q-point: (-0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.095 ( -0.776 0.000 3.564) 3.648 2.142 ( -0.443 0.000 0.649) 0.786 2.429 ( 7.422 -0.000 5.538) 9.261 2.709 ( -12.066 0.000 -8.357) 14.677 2.755 ( 5.361 -0.000 10.792) 12.051 2.987 ( -17.743 0.000 -10.793) 20.768 3.364 ( 3.589 -0.000 -9.883) 10.514 3.414 ( 2.751 -0.000 -0.332) 2.771 3.487 ( -8.295 0.000 10.641) 13.492 4.268 ( -14.567 0.000 2.854) 14.844 4.408 ( -4.730 0.000 -4.023) 6.209 4.622 ( 11.035 -0.000 1.893) 11.196 4.924 ( -5.732 0.000 -6.061) 8.342 5.072 ( -19.009 0.000 -0.929) 19.032 5.294 ( 1.165 -0.000 1.478) 1.881 5.427 ( -7.859 0.000 6.364) 10.113 5.659 ( 13.952 -0.000 5.911) 15.153 5.909 ( 2.887 -0.000 1.923) 3.469 6.192 ( 6.683 -0.000 -6.515) 9.333 6.730 ( 11.482 -0.000 4.695) 12.404 7.266 ( -1.186 0.000 7.123) 7.221 7.324 ( -1.547 0.000 7.012) 7.180 7.487 ( -3.866 0.000 -5.009) 6.328 7.522 ( -6.709 0.000 3.965) 7.793 7.771 ( 4.776 -0.000 -0.250) 4.782 8.048 ( -1.440 0.000 -1.008) 1.758 8.061 ( -6.719 0.000 -4.465) 8.067 8.328 ( -11.291 0.000 0.819) 11.320 8.573 ( 4.116 -0.000 -10.987) 11.733 8.576 ( 5.705 -0.000 10.809) 12.222 8.781 ( 2.157 -0.000 -5.587) 5.989 9.221 ( -4.170 0.000 -5.636) 7.011 9.482 ( 3.635 -0.000 14.333) 14.787 9.708 ( -2.987 0.000 5.711) 6.445 9.870 ( -3.147 0.000 -4.124) 5.187 10.007 ( -1.978 0.000 -0.588) 2.063 10.419 ( -2.782 0.000 -8.540) 8.982 10.905 ( 20.306 -0.000 1.941) 20.398 11.826 ( -4.150 0.000 -9.734) 10.582 12.150 ( 5.118 -0.000 4.580) 6.868 13.149 ( -2.603 0.000 4.638) 5.319 13.477 ( 0.517 -0.000 -6.749) 6.769======================= Grid point 503 (243/355) =======================q-point: (-0.58 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( -8.872 4.866 -0.012) 10.119 2.118 ( 0.099 5.553 1.916) 5.875 2.360 ( -13.172 -2.397 7.386) 15.291 2.598 ( -8.529 8.344 -3.005) 12.305 2.691 ( -3.754 -0.736 -2.657) 4.657 2.897 ( 5.518 -11.927 14.594) 19.639 3.353 ( -2.417 1.138 -0.973) 2.843 3.380 ( -8.022 -0.716 7.748) 11.176 3.474 ( 4.766 -0.234 -10.532) 11.562 3.982 ( -14.979 -0.115 -3.951) 15.492 4.358 ( -0.016 -0.512 -2.832) 2.877 4.660 ( -23.208 0.158 1.149) 23.237 4.724 ( -1.016 -0.900 -0.887) 1.622 4.963 ( 11.367 0.523 -0.874) 11.413 5.214 ( -9.237 1.617 3.695) 10.079 5.414 ( 5.921 0.568 5.132) 7.856 5.754 ( -1.289 -0.552 6.738) 6.883 6.085 ( 11.634 0.859 4.465) 12.491 6.355 ( 11.424 0.858 -10.763) 15.719 6.886 ( 3.088 -1.448 5.627) 6.580 7.227 ( -1.611 5.651 3.923) 7.065 7.316 ( -3.327 -3.745 5.950) 7.778 7.405 ( -3.537 -2.369 -4.600) 6.267 7.461 ( 0.747 -0.204 4.199) 4.269 7.787 ( -2.900 7.446 -5.590) 9.752 7.884 ( -10.272 -3.197 -8.293) 13.583 8.014 ( -3.042 0.209 2.520) 3.955 8.087 ( -14.004 -8.355 -1.310) 16.360 8.616 ( 2.390 1.535 -9.411) 9.830 8.690 ( 4.544 -1.397 8.495) 9.734 8.865 ( 6.372 0.353 -3.451) 7.255 9.219 ( 4.475 -0.567 -2.920) 5.373 9.578 ( 4.145 4.598 15.442) 16.637 9.631 ( -3.526 -2.997 8.414) 9.603 9.809 ( -3.172 -0.239 -4.267) 5.322 9.939 ( -4.853 -0.229 -3.411) 5.936 10.383 ( -0.991 -0.627 -6.785) 6.886 11.304 ( 20.868 1.755 5.578) 21.672 11.742 ( -3.258 0.944 -13.212) 13.641 12.241 ( 3.881 -0.460 6.141) 7.279 13.085 ( -4.591 -0.178 4.886) 6.707 13.489 ( 1.884 0.626 -10.325) 10.514======================= Grid point 504 (244/355) =======================q-point: (-0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( -10.067 12.644 1.011) 16.194 2.114 ( 0.486 1.084 -1.049) 1.585 2.164 ( -8.150 -1.371 13.329) 15.684 2.284 ( -17.614 -4.294 8.093) 19.854 2.700 ( 1.556 11.180 2.622) 11.588 3.066 ( -3.934 -11.681 15.092) 19.485 3.187 ( -3.605 -0.183 8.531) 9.264 3.292 ( -4.063 1.489 -7.430) 8.598 3.533 ( 0.547 -0.949 -9.348) 9.412 3.702 ( -14.389 -0.812 -9.576) 17.303 4.257 ( -15.765 0.909 2.452) 15.980 4.429 ( 6.329 -0.830 -0.871) 6.443 4.733 ( 2.340 -0.727 -2.817) 3.733 4.996 ( -10.684 2.454 3.212) 11.423 5.230 ( 13.757 2.108 5.441) 14.943 5.565 ( 9.409 -0.058 1.773) 9.575 5.726 ( -1.779 -0.337 5.918) 6.188 6.251 ( 5.883 0.027 0.160) 5.885 6.564 ( 11.410 3.475 -7.781) 14.241 6.887 ( -2.461 -1.120 2.180) 3.473 7.136 ( -5.433 6.480 0.118) 8.457 7.244 ( -6.690 -3.223 2.332) 7.783 7.316 ( -7.356 -3.148 4.046) 8.966 7.522 ( -2.248 2.560 -1.533) 3.736 7.618 ( -2.082 5.979 -8.550) 10.639 7.706 ( -9.976 -8.910 -2.367) 13.583 7.936 ( -5.615 -0.112 6.637) 8.694 7.988 ( -1.197 -11.572 -4.139) 12.348 8.644 ( 2.568 3.192 -5.603) 6.941 8.768 ( 1.452 -1.747 6.304) 6.701 8.963 ( 3.182 0.292 -3.259) 4.564 9.354 ( 8.894 0.681 -0.834) 8.959 9.527 ( -4.969 -2.961 5.993) 8.329 9.716 ( 5.492 4.853 7.819) 10.716 9.778 ( -1.101 -0.722 0.517) 1.414 9.855 ( -0.651 -4.094 0.552) 4.182 10.355 ( -2.221 -1.030 -6.160) 6.629 11.561 ( -0.070 -0.128 -2.703) 2.707 11.754 ( 13.414 7.304 -3.381) 15.643 12.308 ( 1.823 -1.958 6.934) 7.432 12.995 ( -5.214 -0.268 5.777) 7.786 13.526 ( 4.008 2.112 -15.971) 16.601======================= Grid point 505 (245/355) =======================q-point: (-0.42 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( -0.489 13.725 9.936) 16.951 1.971 ( -12.711 -0.835 17.482) 21.631 2.106 ( -4.123 -14.526 3.043) 15.403 2.176 ( 2.527 5.977 10.051) 11.964 2.573 ( -9.625 0.754 8.563) 12.905 2.956 ( 0.659 10.858 10.525) 15.136 3.129 ( -8.287 3.774 -9.873) 13.431 3.283 ( -2.467 -3.029 -8.502) 9.356 3.437 ( -11.747 -2.607 -10.107) 15.715 3.524 ( 1.514 -5.688 7.418) 9.469 4.111 ( -0.265 0.463 0.846) 1.000 4.582 ( 7.843 3.181 -1.733) 8.639 4.771 ( -7.394 0.799 -1.240) 7.540 4.802 ( 1.076 0.227 0.079) 1.103 5.455 ( 9.885 3.898 6.584) 12.501 5.715 ( 0.620 -0.728 4.717) 4.812 5.766 ( 10.745 0.242 0.808) 10.778 6.313 ( 0.558 -1.527 -4.649) 4.924 6.697 ( 5.102 5.285 -3.276) 8.043 6.843 ( -3.757 -2.096 -1.067) 4.432 6.976 ( -6.103 6.245 -1.703) 8.896 7.096 ( -9.596 -1.924 1.701) 9.934 7.173 ( -8.096 -2.088 -1.917) 8.577 7.345 ( -11.083 -0.328 -3.145) 11.526 7.553 ( -3.439 -6.572 3.140) 8.055 7.720 ( 1.870 2.995 -0.290) 3.543 7.902 ( 1.643 -7.433 7.663) 10.801 8.076 ( 4.428 -7.883 -2.751) 9.451 8.666 ( 2.060 4.082 -2.038) 5.006 8.750 ( -4.529 -1.237 4.156) 6.270 8.961 ( -2.173 0.860 -3.085) 3.870 9.442 ( -3.095 -3.615 4.540) 6.577 9.531 ( 3.956 1.611 -0.006) 4.272 9.668 ( -2.687 -1.154 -8.901) 9.369 9.852 ( 8.351 -0.449 2.465) 8.719 10.026 ( 10.525 -4.955 15.039) 19.013 10.293 ( -3.856 -0.652 -6.413) 7.511 11.448 ( -7.901 1.219 -11.977) 14.400 11.996 ( 13.440 9.566 7.577) 18.154 12.341 ( -0.460 -3.307 6.134) 6.983 12.914 ( -3.667 -0.140 6.765) 7.696 13.579 ( 4.632 4.431 -21.395) 22.335======================= Grid point 506 (246/355) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( 6.108 10.023 17.635) 21.184 1.785 ( -6.819 1.748 18.925) 20.192 2.112 ( -5.236 -2.757 17.929) 18.880 2.228 ( 6.152 -13.916 4.452) 15.854 2.553 ( 7.411 0.516 6.038) 9.573 2.891 ( -7.103 3.824 -14.622) 16.699 3.047 ( 9.158 14.997 12.420) 21.519 3.106 ( -11.739 -1.299 -16.330) 20.154 3.310 ( -0.512 5.039 -5.883) 7.763 3.687 ( 8.173 -7.926 6.661) 13.190 4.149 ( 1.890 -0.413 2.190) 2.922 4.490 ( -10.107 3.516 -3.342) 11.211 4.779 ( 5.606 2.068 -1.553) 6.174 4.845 ( 1.756 1.131 -3.506) 4.080 5.569 ( 3.213 0.845 5.184) 6.157 5.754 ( 2.308 -1.398 3.474) 4.399 5.947 ( 8.143 2.590 1.719) 8.717 6.283 ( -4.587 -2.837 -6.087) 8.133 6.692 ( -3.975 3.502 -2.321) 5.783 6.764 ( -2.131 -0.683 3.279) 3.970 6.857 ( -5.989 4.019 -3.979) 8.237 6.958 ( -5.321 -1.135 0.283) 5.448 7.044 ( -4.522 0.681 0.352) 4.587 7.202 ( -3.553 -3.356 -3.047) 5.760 7.525 ( -1.875 -0.292 5.968) 6.263 7.763 ( 2.516 -7.372 5.228) 9.382 8.029 ( 6.024 -4.495 2.784) 8.015 8.206 ( 5.350 -5.389 -2.037) 7.862 8.630 ( -5.614 0.832 1.676) 5.918 8.689 ( -0.453 -0.368 0.632) 0.860 8.916 ( -0.535 0.456 2.430) 2.529 9.389 ( -6.988 0.558 -4.826) 8.511 9.432 ( -5.426 -1.314 1.169) 5.704 9.771 ( 6.380 -1.554 -3.032) 7.233 10.019 ( 7.343 -1.984 2.070) 7.883 10.157 ( -4.460 -7.868 -1.462) 9.162 10.339 ( 12.447 0.734 8.501) 15.091 11.255 ( -9.884 2.194 -13.070) 16.533 12.148 ( 5.663 8.028 8.706) 13.127 12.340 ( -0.598 -1.274 2.985) 3.300 12.884 ( -0.058 -0.544 7.040) 7.062 13.595 ( 1.880 6.848 -22.832) 23.911======================= Grid point 507 (247/355) =======================q-point: (-0.25 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.554 ( -5.188 3.210 18.458) 19.440 1.870 ( 12.445 9.388 18.987) 24.566 2.101 ( -0.326 -9.633 14.332) 17.271 2.494 ( 12.473 -9.586 9.834) 18.552 2.731 ( -2.709 -1.269 -14.078) 14.393 2.748 ( 6.498 3.749 -1.499) 7.650 2.909 ( -5.386 0.205 -12.114) 13.259 3.257 ( 19.281 16.213 16.285) 29.996 3.310 ( 3.153 7.854 -8.376) 11.907 3.896 ( 9.874 -4.196 -1.554) 10.840 4.152 ( -1.245 -0.420 6.988) 7.111 4.315 ( -5.964 -1.198 -4.622) 7.640 4.844 ( 2.310 -0.090 -5.372) 5.848 4.870 ( 3.602 2.966 -1.732) 4.977 5.571 ( -4.640 -5.095 2.581) 7.358 5.793 ( -0.754 -2.050 -1.282) 2.533 6.042 ( 2.403 2.421 4.649) 5.766 6.179 ( -4.797 1.341 -6.380) 8.094 6.516 ( -10.806 0.688 -2.138) 11.037 6.671 ( -4.173 5.681 2.470) 7.469 6.861 ( -0.949 -0.239 4.438) 4.545 6.890 ( 4.682 2.382 1.172) 5.382 7.016 ( 0.806 1.050 -0.089) 1.326 7.213 ( 1.425 -4.888 1.354) 5.268 7.497 ( -1.860 0.611 6.687) 6.967 7.891 ( 4.159 -14.143 1.703) 14.840 8.152 ( 5.571 0.285 -0.257) 5.584 8.302 ( 2.191 -1.162 1.145) 2.731 8.559 ( -0.996 -4.072 -0.315) 4.204 8.701 ( 1.760 -1.559 1.553) 2.817 8.959 ( 3.089 -2.246 8.955) 9.735 9.180 ( -11.287 1.061 -8.124) 13.947 9.376 ( -2.941 1.711 1.414) 3.684 9.808 ( -2.978 -0.334 0.006) 2.997 10.096 ( -0.643 -5.175 -5.570) 7.631 10.172 ( 3.591 -3.797 -0.170) 5.228 10.565 ( 7.782 2.032 8.168) 11.464 11.072 ( -5.560 -1.341 -11.438) 12.788 12.097 ( -7.993 2.474 2.731) 8.801 12.373 ( 4.202 5.402 2.548) 7.303 12.932 ( 3.665 -1.356 5.896) 7.074 13.540 ( -1.208 7.886 -18.903) 20.518======================= Grid point 508 (248/355) =======================q-point: (-0.17 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 1.733 2.532 13.534) 13.877 2.065 ( 10.574 7.720 14.382) 19.448 2.209 ( 5.299 -7.098 15.565) 17.909 2.585 ( -4.089 -1.512 -9.552) 10.500 2.671 ( -5.865 4.922 -11.084) 13.472 2.846 ( 10.878 -5.523 0.436) 12.208 3.028 ( 11.948 3.910 7.740) 14.764 3.287 ( 0.568 9.087 -13.677) 16.430 3.591 ( 18.523 7.212 15.580) 25.256 3.964 ( -3.335 -1.253 -3.383) 4.913 4.275 ( 6.965 -4.292 -3.075) 8.740 4.339 ( 14.811 -0.937 4.500) 15.508 4.904 ( 4.361 -3.697 -9.601) 11.174 4.942 ( 4.499 1.135 2.872) 5.457 5.456 ( -10.339 -5.661 3.093) 12.186 5.707 ( -8.995 -2.226 -10.034) 13.658 5.979 ( -7.726 5.153 -3.131) 9.800 6.071 ( -2.486 1.821 -0.871) 3.202 6.470 ( 4.200 1.494 6.135) 7.584 6.577 ( -3.414 3.097 2.757) 5.371 6.756 ( -5.430 1.833 0.713) 5.775 7.028 ( 3.201 2.940 2.498) 5.013 7.096 ( 11.217 1.285 9.920) 15.030 7.286 ( 3.176 -4.849 5.301) 7.855 7.452 ( -3.694 -1.715 3.341) 5.268 8.045 ( 3.568 -14.883 -0.188) 15.306 8.216 ( 1.522 4.435 -0.925) 4.779 8.331 ( 2.446 -0.219 1.885) 3.096 8.633 ( 4.363 -6.126 -1.311) 7.634 8.771 ( 1.851 -4.350 1.564) 4.979 8.978 ( -6.831 -0.282 -3.035) 7.481 9.020 ( -0.956 -3.620 6.709) 7.683 9.311 ( -0.458 6.577 0.374) 6.604 9.719 ( -5.145 -0.750 -0.077) 5.200 10.086 ( -2.762 -3.148 -6.509) 7.740 10.237 ( 0.763 -2.923 2.796) 4.116 10.535 ( -5.664 9.321 -4.549) 11.818 11.127 ( 7.004 -9.425 -2.358) 11.977 11.875 ( -13.063 2.469 -3.738) 13.810 12.402 ( 1.467 6.988 1.697) 7.339 13.026 ( 4.390 -1.562 4.138) 6.232 13.463 ( -0.847 6.286 -12.284) 13.825======================= Grid point 509 (249/355) =======================q-point: (-0.08 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 5.537 1.481 5.720) 8.098 2.218 ( 7.882 3.845 8.229) 12.026 2.378 ( 8.668 2.223 16.827) 19.059 2.454 ( -8.439 5.547 -6.175) 11.837 2.562 ( -2.640 -3.901 -7.780) 9.094 3.029 ( 7.319 0.848 -5.520) 9.206 3.204 ( 3.792 0.335 9.964) 10.666 3.271 ( 6.542 9.423 -9.849) 15.120 3.778 ( 1.006 -7.465 -0.034) 7.532 4.016 ( 9.060 -0.921 4.068) 9.975 4.436 ( 10.791 -0.012 -0.085) 10.791 4.735 ( 21.058 -2.079 -0.531) 21.167 4.970 ( -1.688 1.821 3.849) 4.580 5.053 ( 7.371 -6.627 -11.011) 14.815 5.262 ( -11.384 -0.364 8.517) 14.222 5.527 ( -5.915 -1.578 -16.096) 17.221 5.803 ( -7.284 4.847 -6.337) 10.803 6.058 ( -0.034 -1.188 7.105) 7.204 6.375 ( -10.433 2.744 -8.018) 13.441 6.569 ( -1.420 6.521 8.506) 10.811 6.764 ( 7.230 -3.832 10.283) 13.141 7.086 ( 5.387 4.837 4.608) 8.582 7.319 ( 10.077 -0.288 11.774) 15.500 7.384 ( -0.547 -2.603 2.871) 3.914 7.405 ( 3.245 -4.104 5.378) 7.503 8.150 ( -0.398 0.139 -2.021) 2.064 8.200 ( 0.651 -6.962 1.699) 7.195 8.379 ( 0.878 0.232 0.259) 0.944 8.696 ( -4.211 -7.570 -8.256) 11.966 8.772 ( 1.266 -0.577 4.755) 4.955 8.900 ( -5.553 -0.223 5.079) 7.529 9.054 ( 4.434 -6.346 -3.650) 8.559 9.315 ( 3.056 6.124 4.410) 8.142 9.659 ( -0.881 -0.034 1.599) 1.826 10.005 ( -5.389 0.153 -6.008) 8.072 10.232 ( -2.828 -1.658 3.433) 4.747 10.368 ( -5.297 7.878 -8.137) 12.503 11.301 ( 3.294 -8.697 -3.993) 10.121 11.622 ( -9.010 2.821 -5.410) 10.881 12.357 ( -2.487 6.296 0.415) 6.782 13.105 ( 2.756 -1.063 3.476) 4.561 13.434 ( 1.239 3.352 -7.251) 8.084======================= Grid point 515 (250/355) =======================q-point: (-0.58 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( -8.906 0.000 -0.980) 8.960 2.078 ( -9.631 0.000 -1.395) 9.731 2.180 ( -0.078 0.000 10.478) 10.478 2.265 ( -18.335 0.000 11.112) 21.439 2.791 ( -1.773 0.000 1.356) 2.232 2.967 ( 5.409 -0.000 15.605) 16.516 3.188 ( -8.044 0.000 13.376) 15.608 3.304 ( -4.168 0.000 -9.796) 10.646 3.529 ( 0.832 -0.000 -9.646) 9.681 3.697 ( -14.851 0.000 -9.813) 17.800 4.262 ( -15.849 0.000 2.649) 16.069 4.424 ( 6.981 -0.000 -0.994) 7.051 4.729 ( 2.550 -0.000 -2.612) 3.650 5.009 ( -10.918 0.000 3.064) 11.339 5.241 ( 14.031 -0.000 5.835) 15.196 5.565 ( 9.238 -0.000 1.643) 9.383 5.724 ( -1.753 0.000 6.086) 6.333 6.251 ( 5.567 -0.000 -0.086) 5.567 6.584 ( 11.895 -0.000 -7.626) 14.129 6.880 ( -2.604 0.000 2.767) 3.800 7.193 ( -4.348 0.000 2.922) 5.239 7.207 ( -7.342 0.000 -1.338) 7.463 7.299 ( -6.757 0.000 5.603) 8.778 7.541 ( 1.206 -0.000 0.414) 1.275 7.643 ( -16.639 0.000 -2.803) 16.874 7.668 ( -2.168 0.000 -12.087) 12.279 7.906 ( -2.033 0.000 -2.402) 3.147 7.947 ( -2.869 0.000 5.523) 6.224 8.662 ( 2.818 -0.000 -6.713) 7.280 8.757 ( 1.634 -0.000 7.185) 7.368 8.965 ( 3.198 -0.000 -3.257) 4.564 9.357 ( 9.526 -0.000 -1.337) 9.619 9.511 ( -6.357 0.000 6.792) 9.303 9.753 ( 7.204 -0.000 15.289) 16.902 9.768 ( 0.883 -0.000 -3.499) 3.609 9.827 ( -4.766 0.000 -2.813) 5.535 10.350 ( -2.098 0.000 -6.281) 6.622 11.560 ( -0.337 0.000 -3.028) 3.046 11.793 ( 14.087 -0.000 -3.640) 14.550 12.297 ( 1.427 -0.000 7.752) 7.883 12.994 ( -5.135 0.000 5.867) 7.797 13.537 ( 4.285 -0.000 -16.366) 16.918======================= Grid point 517 (251/355) =======================q-point: (-0.50 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( -0.134 10.633 5.618) 12.027 1.948 ( -7.005 -6.258 9.731) 13.525 1.981 ( -11.016 -5.094 14.018) 18.542 2.220 ( 0.999 2.174 8.252) 8.591 2.581 ( -13.165 0.518 10.520) 16.860 3.057 ( 3.781 7.308 4.416) 9.338 3.154 ( -8.560 1.155 -11.412) 14.312 3.236 ( 4.903 -4.932 2.223) 7.301 3.411 ( -12.869 -1.549 -10.110) 16.438 3.496 ( -1.868 -0.745 3.321) 3.882 4.115 ( -0.756 0.173 1.187) 1.418 4.607 ( 11.042 1.385 -1.296) 11.204 4.773 ( -7.002 -0.159 -2.519) 7.443 4.804 ( -1.737 0.143 1.367) 2.215 5.482 ( 9.504 1.270 6.770) 11.737 5.710 ( 0.053 -0.212 5.251) 5.256 5.768 ( 11.959 0.148 0.111) 11.960 6.303 ( -0.036 -0.504 -5.244) 5.268 6.741 ( 5.025 2.799 -3.101) 6.535 6.823 ( -3.710 -1.456 0.239) 3.993 7.033 ( -7.756 4.095 -1.244) 8.859 7.076 ( -9.320 -1.852 0.960) 9.550 7.155 ( -7.783 -1.099 0.496) 7.876 7.341 ( -12.807 -0.423 -3.639) 13.320 7.500 ( -1.374 -2.863 2.269) 3.903 7.765 ( 1.686 5.555 0.135) 5.807 7.830 ( 1.304 -6.729 3.239) 7.581 8.017 ( 5.855 -3.020 -0.861) 6.644 8.699 ( 1.925 1.935 -3.003) 4.058 8.740 ( -4.438 -0.676 4.694) 6.495 8.967 ( -2.169 0.351 -2.663) 3.453 9.410 ( -4.297 -1.783 5.811) 7.443 9.542 ( 7.574 0.445 -0.992) 7.652 9.663 ( -5.855 -0.074 -9.704) 11.334 9.853 ( 7.602 0.350 0.599) 7.633 9.985 ( 9.884 -2.397 17.473) 20.217 10.292 ( -2.780 0.026 -6.368) 6.948 11.455 ( -7.572 0.298 -11.893) 14.102 12.070 ( 13.404 4.067 6.310) 15.363 12.311 ( -1.045 -1.904 8.092) 8.379 12.914 ( -3.562 0.056 6.887) 7.754 13.610 ( 5.100 1.517 -22.326) 22.952======================= Grid point 518 (252/355) =======================q-point: (-0.42 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( -1.367 7.502 14.563) 16.439 1.817 ( 1.790 6.043 17.532) 18.630 2.065 ( 5.849 -11.744 13.426) 18.772 2.105 ( -8.839 -4.108 13.418) 16.585 2.556 ( 8.449 0.166 3.195) 9.035 2.919 ( -9.161 1.713 -15.023) 17.679 3.095 ( -12.323 -0.777 -16.212) 20.379 3.181 ( 10.491 9.457 1.633) 14.219 3.374 ( 3.596 7.783 3.266) 9.174 3.595 ( 8.182 -9.724 9.893) 16.106 4.145 ( 1.749 -0.235 2.260) 2.867 4.521 ( -12.417 2.248 -3.118) 12.998 4.798 ( 6.979 1.716 -1.816) 7.413 4.847 ( 2.031 -0.576 -2.610) 3.357 5.575 ( 0.531 0.358 3.829) 3.882 5.742 ( 2.315 -0.826 3.841) 4.560 5.973 ( 8.787 2.196 1.409) 9.166 6.257 ( -4.120 -1.916 -5.494) 7.129 6.720 ( -6.676 1.827 -2.157) 7.250 6.758 ( -1.854 -0.489 3.733) 4.197 6.894 ( -4.944 3.328 -1.708) 6.200 6.946 ( -4.029 -1.415 0.267) 4.279 7.053 ( -3.155 0.845 1.973) 3.816 7.171 ( -5.051 -2.359 -4.984) 7.478 7.520 ( 1.155 -0.558 3.513) 3.740 7.703 ( -2.742 -3.863 6.848) 8.327 7.997 ( 9.070 -1.742 1.077) 9.298 8.155 ( 6.493 -4.031 -3.360) 8.348 8.626 ( -7.381 -0.967 3.586) 8.263 8.709 ( 0.582 3.104 -0.005) 3.158 8.910 ( -2.522 -1.353 2.073) 3.534 9.383 ( -1.302 -0.774 2.287) 2.743 9.431 ( -9.960 0.350 -6.048) 11.658 9.757 ( 7.300 -1.057 -4.000) 8.391 10.006 ( 7.154 -0.512 2.099) 7.474 10.088 ( -3.197 -5.013 2.645) 6.507 10.349 ( 11.109 0.927 5.348) 12.365 11.270 ( -10.221 0.837 -13.253) 16.758 12.221 ( 1.947 6.044 7.994) 10.209 12.321 ( 2.811 -2.444 5.200) 6.396 12.882 ( -0.223 0.009 7.183) 7.186 13.650 ( 2.162 3.550 -24.221) 24.575======================= Grid point 519 (253/355) =======================q-point: (-0.33 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -4.572 4.642 16.044) 17.317 1.963 ( 8.924 5.474 14.087) 17.552 2.016 ( 1.772 -3.679 19.128) 19.559 2.387 ( 15.681 -10.803 12.860) 22.977 2.729 ( -1.194 0.815 -13.088) 13.168 2.773 ( 2.272 1.012 -7.947) 8.327 2.912 ( -2.129 0.247 -8.556) 8.820 3.366 ( 8.593 5.906 -10.133) 14.540 3.443 ( 13.203 15.988 14.803) 25.477 3.837 ( 10.657 -7.341 2.466) 13.173 4.149 ( -1.114 0.006 7.702) 7.782 4.300 ( -8.737 -1.576 -5.555) 10.472 4.842 ( 0.421 -0.146 -5.810) 5.827 4.899 ( 3.620 2.388 -1.272) 4.519 5.526 ( -6.158 -3.502 2.033) 7.370 5.774 ( -1.252 -1.615 -1.158) 2.349 6.063 ( 1.537 1.518 4.375) 4.880 6.192 ( -2.035 1.092 -3.887) 4.521 6.519 ( -10.923 -0.019 -2.735) 11.260 6.724 ( -3.516 4.060 3.616) 6.474 6.862 ( -0.544 0.663 4.373) 4.456 6.915 ( 4.612 2.087 0.879) 5.139 7.031 ( 1.286 1.897 0.813) 2.432 7.159 ( 0.873 -5.245 0.956) 5.403 7.514 ( -2.034 2.747 4.811) 5.902 7.752 ( 2.654 -12.391 1.443) 12.754 8.162 ( 7.890 1.502 -0.247) 8.036 8.282 ( 4.630 -2.808 -2.397) 5.922 8.520 ( -3.856 -3.226 2.081) 5.441 8.706 ( 1.367 2.338 2.036) 3.388 8.923 ( 1.333 -4.428 7.776) 9.048 9.188 ( -12.091 0.638 -7.513) 14.249 9.395 ( -0.055 1.758 2.062) 2.710 9.804 ( -3.097 -0.260 -0.160) 3.112 10.047 ( -0.016 -4.121 -6.168) 7.418 10.139 ( 4.219 -2.540 1.578) 5.171 10.586 ( 11.229 1.798 8.283) 14.069 11.059 ( -9.485 -1.052 -12.792) 15.960 12.121 ( -8.888 1.958 3.095) 9.613 12.418 ( 5.169 3.230 3.782) 7.174 12.923 ( 3.574 -0.468 6.302) 7.260 13.608 ( -1.674 5.119 -20.821) 21.507======================= Grid point 520 (254/355) =======================q-point: (-0.25 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( 1.746 4.695 12.888) 13.827 2.069 ( 4.442 -7.914 10.151) 13.616 2.206 ( 12.139 7.558 18.621) 23.478 2.588 ( -3.114 1.841 -8.562) 9.295 2.702 ( -4.898 1.135 -13.318) 14.235 2.782 ( 13.857 -6.749 5.192) 16.264 3.070 ( 11.424 3.967 6.737) 13.843 3.382 ( 0.995 8.987 -12.550) 15.468 3.663 ( 9.425 6.622 8.366) 14.236 3.950 ( -1.185 -1.803 -1.004) 2.380 4.232 ( 6.740 -3.552 -2.518) 8.024 4.325 ( 15.551 -1.771 6.832) 17.078 4.863 ( 2.368 -3.760 -11.012) 11.875 4.959 ( 3.836 1.859 3.436) 5.475 5.404 ( -8.790 -4.420 4.465) 10.805 5.685 ( -8.396 -1.823 -9.209) 12.594 6.025 ( -5.408 3.634 1.844) 6.772 6.091 ( -5.265 1.884 -5.875) 8.111 6.475 ( 5.386 -0.529 9.364) 10.815 6.612 ( -5.884 3.535 -0.842) 6.916 6.782 ( -4.887 2.875 2.483) 6.190 7.060 ( 4.383 3.276 3.097) 6.288 7.109 ( 11.014 1.162 9.591) 14.651 7.232 ( 3.375 -5.397 5.195) 8.216 7.439 ( -4.931 -0.583 1.611) 5.220 7.898 ( 5.027 -12.958 -0.707) 13.917 8.263 ( 3.121 4.452 -2.216) 5.871 8.332 ( 1.983 0.259 1.316) 2.394 8.556 ( 3.137 -8.213 -2.699) 9.197 8.744 ( 1.923 -0.722 2.530) 3.259 8.971 ( -4.467 -1.978 5.312) 7.217 8.983 ( -3.666 -2.575 -1.351) 4.679 9.375 ( 0.397 5.599 1.757) 5.882 9.708 ( -5.623 -1.350 -0.541) 5.808 10.061 ( -0.703 -1.713 -5.841) 6.128 10.206 ( 1.076 -2.903 2.609) 4.049 10.633 ( -4.479 9.445 -4.599) 11.420 11.028 ( 5.188 -9.606 -1.929) 11.087 11.901 ( -12.584 2.323 -2.520) 13.042 12.464 ( 1.284 4.800 1.567) 5.210 13.014 ( 4.575 -0.791 4.691) 6.600 13.522 ( -2.195 4.944 -14.314) 15.302======================= Grid point 521 (255/355) =======================q-point: (-0.17 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.617 ( 4.951 2.938 7.487) 9.444 2.232 ( 8.374 -2.645 9.346) 12.825 2.389 ( 7.483 1.990 10.026) 12.668 2.512 ( -1.258 5.925 -3.555) 7.023 2.565 ( -6.727 3.065 -8.634) 11.366 3.037 ( 8.864 0.518 0.495) 8.893 3.211 ( 4.128 1.008 9.158) 10.096 3.367 ( 4.686 8.803 -9.673) 13.893 3.700 ( -2.039 -7.232 -1.032) 7.584 3.988 ( 3.672 -4.405 -1.652) 5.968 4.446 ( 13.798 1.955 2.770) 14.209 4.715 ( 20.658 -1.545 -0.165) 20.717 4.965 ( 4.789 -5.592 -9.845) 12.293 5.004 ( 0.789 0.199 4.041) 4.122 5.260 ( -7.761 -0.221 9.849) 12.541 5.512 ( -6.404 -1.417 -15.968) 17.263 5.853 ( -8.149 4.631 -6.016) 11.137 6.048 ( -0.925 -0.685 6.784) 6.881 6.408 ( -10.725 3.386 -8.025) 13.817 6.631 ( 1.612 4.636 10.373) 11.476 6.727 ( 4.365 -2.569 9.182) 10.487 7.132 ( 5.358 3.818 5.140) 8.349 7.307 ( 6.630 -2.305 9.215) 11.584 7.357 ( -3.886 -2.641 -2.413) 5.282 7.374 ( 10.131 -0.955 12.205) 15.890 8.056 ( 4.769 -11.458 -0.332) 12.415 8.226 ( -2.950 5.423 -1.902) 6.460 8.383 ( 1.772 0.508 -0.053) 1.844 8.609 ( -2.990 -8.910 -9.112) 13.090 8.770 ( 1.793 0.197 3.944) 4.337 8.895 ( -4.888 -0.879 5.427) 7.357 8.991 ( 1.439 -5.578 -2.497) 6.279 9.380 ( 2.907 6.313 4.374) 8.212 9.650 ( -0.602 -1.719 1.629) 2.444 10.012 ( -3.907 1.193 -4.951) 6.418 10.213 ( -1.939 -2.014 3.280) 4.310 10.453 ( -6.850 8.227 -9.753) 14.482 11.206 ( 5.621 -9.203 -0.641) 10.803 11.653 ( -10.187 2.951 -5.767) 12.073 12.418 ( -3.255 5.226 -0.297) 6.164 13.096 ( 3.069 -0.724 3.828) 4.959 13.468 ( -0.059 3.167 -8.507) 9.078======================= Grid point 522 (256/355) =======================q-point: (-0.08 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 4.810 0.843 3.256) 5.870 2.300 ( -9.637 7.593 -6.068) 13.687 2.381 ( 3.444 3.828 2.326) 5.650 2.504 ( 2.014 -3.273 0.628) 3.894 2.587 ( 8.246 1.905 13.192) 15.673 3.136 ( 3.579 1.520 -10.011) 10.739 3.242 ( 1.166 3.651 5.812) 6.962 3.432 ( 5.510 2.997 -3.361) 7.116 3.800 ( 7.859 -9.030 1.472) 12.061 4.072 ( 1.365 -9.035 -5.523) 10.677 4.680 ( 10.379 3.205 3.141) 11.308 4.838 ( -11.705 2.555 -4.417) 12.769 4.987 ( -1.373 -2.054 0.465) 2.514 5.109 ( 11.391 0.140 2.237) 11.610 5.269 ( 8.661 -1.897 -1.229) 8.951 5.505 ( 4.659 -2.663 -9.877) 11.240 5.655 ( -10.164 3.434 -2.797) 11.087 6.054 ( -1.155 -2.285 3.662) 4.468 6.154 ( -11.253 3.874 -6.548) 13.584 6.558 ( -4.259 6.524 7.944) 11.127 6.923 ( 9.357 -4.134 12.100) 15.845 7.227 ( 5.025 1.533 6.819) 8.608 7.331 ( 1.192 -0.459 -3.040) 3.297 7.436 ( 5.265 -2.853 10.906) 12.442 7.604 ( 11.708 0.249 12.648) 17.237 8.103 ( -6.400 4.387 -4.357) 8.899 8.188 ( 3.037 -9.894 0.121) 10.351 8.378 ( -1.030 2.619 1.617) 3.246 8.576 ( -3.544 -4.880 -7.690) 9.773 8.742 ( -5.615 1.329 -0.717) 5.815 8.837 ( -0.447 -3.011 6.975) 7.610 9.080 ( 2.938 -10.018 -6.174) 12.129 9.404 ( 2.028 7.117 6.233) 9.675 9.707 ( 5.039 0.537 4.341) 6.673 9.934 ( -1.548 0.401 -4.701) 4.966 10.155 ( -5.087 0.661 -1.210) 5.270 10.297 ( -5.018 4.687 -4.862) 8.413 11.214 ( -7.333 0.406 -12.380) 14.394 11.586 ( 3.946 -3.541 1.419) 5.488 12.302 ( -5.808 4.188 -1.392) 7.295 13.142 ( 1.213 -0.478 4.112) 4.314 13.464 ( 1.178 1.496 -5.559) 5.876======================= Grid point 529 (257/355) =======================q-point: ( 0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( -7.074 0.000 14.940) 16.530 1.923 ( 11.989 0.001 14.251) 18.624 1.925 ( 4.370 -0.001 11.853) 12.633 2.093 ( -12.801 -0.000 17.831) 21.950 2.557 ( 8.787 0.000 2.290) 9.081 2.928 ( -9.429 -0.000 -14.888) 17.623 3.091 ( -12.657 0.000 -16.201) 20.558 3.229 ( 9.069 -0.000 -6.242) 11.009 3.451 ( 11.528 -0.000 9.495) 14.935 3.510 ( 3.241 0.000 11.713) 12.153 4.144 ( 1.715 0.000 2.270) 2.845 4.533 ( -13.423 0.000 -2.971) 13.748 4.810 ( 8.492 -0.000 -1.878) 8.697 4.841 ( 1.324 0.000 -2.211) 2.577 5.576 ( -0.326 0.000 3.334) 3.350 5.738 ( 2.270 0.000 3.968) 4.572 5.986 ( 9.003 0.000 1.268) 9.092 6.247 ( -4.031 -0.000 -5.281) 6.644 6.730 ( -7.840 -0.000 -2.133) 8.125 6.755 ( -1.836 0.000 3.969) 4.373 6.923 ( -4.391 -0.000 1.093) 4.525 6.928 ( -3.639 0.000 -1.710) 4.021 7.058 ( -2.006 -0.000 3.515) 4.047 7.158 ( -6.089 0.000 -6.618) 8.993 7.516 ( 3.085 -0.000 2.443) 3.935 7.684 ( -5.575 0.000 7.526) 9.366 7.989 ( 10.451 -0.000 0.226) 10.453 8.132 ( 6.702 0.000 -3.614) 7.614 8.620 ( -7.497 -0.000 3.972) 8.485 8.729 ( 0.937 0.000 0.089) 0.941 8.900 ( -3.829 -0.000 1.851) 4.253 9.380 ( 0.710 0.000 4.159) 4.219 9.433 ( -11.391 0.000 -7.927) 13.878 9.751 ( 7.645 0.000 -4.385) 8.813 10.005 ( 7.453 -0.000 1.773) 7.661 10.060 ( -3.311 0.000 4.146) 5.306 10.354 ( 10.769 0.000 4.548) 11.690 11.274 ( -10.313 0.000 -13.295) 16.826 12.262 ( -4.471 0.000 7.104) 8.394 12.299 ( 9.127 -0.000 6.590) 11.257 12.882 ( -0.289 0.000 7.217) 7.223 13.668 ( 2.258 0.000 -24.631) 24.734======================= Grid point 531 (258/355) =======================q-point: (-0.42 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.639 ( -3.383 2.761 13.890) 14.560 1.929 ( -4.658 -3.802 15.205) 16.351 2.080 ( 11.971 7.236 17.139) 22.123 2.283 ( 18.746 -7.696 15.778) 25.683 2.743 ( 2.450 1.358 -11.372) 11.712 2.772 ( -3.500 -0.785 -13.063) 13.547 2.914 ( 0.659 0.190 -5.858) 5.898 3.408 ( 8.671 2.130 -10.371) 13.685 3.597 ( 11.894 12.936 10.344) 20.391 3.745 ( 12.404 -9.711 7.540) 17.464 4.151 ( -0.727 0.157 8.129) 8.163 4.287 ( -11.049 -0.812 -6.215) 12.703 4.842 ( -0.558 -0.042 -5.787) 5.814 4.916 ( 3.779 0.873 -0.877) 3.977 5.501 ( -7.049 -1.233 1.579) 7.328 5.762 ( -1.424 -0.597 -1.133) 1.915 6.073 ( 0.812 0.475 4.251) 4.354 6.200 ( -0.440 0.433 -2.452) 2.528 6.518 ( -11.134 -0.085 -3.165) 11.575 6.751 ( -1.964 1.247 5.109) 5.613 6.872 ( -2.074 0.818 2.924) 3.677 6.930 ( 5.688 0.687 1.333) 5.882 7.055 ( 1.349 2.603 3.729) 4.743 7.109 ( 0.423 -3.999 -1.471) 4.281 7.556 ( -2.917 5.370 3.403) 6.995 7.640 ( 2.757 -8.793 1.295) 9.306 8.180 ( 9.526 1.720 1.042) 9.737 8.251 ( 5.623 -2.502 -6.094) 8.661 8.497 ( -5.492 -1.182 3.892) 6.834 8.738 ( 0.864 2.729 2.170) 3.592 8.878 ( 0.614 -3.311 7.035) 7.799 9.193 ( -12.559 0.237 -7.135) 14.446 9.409 ( 1.497 0.754 2.555) 3.056 9.803 ( -3.285 -0.101 -0.199) 3.293 10.016 ( 0.871 -1.565 -6.146) 6.402 10.121 ( 4.231 -0.894 2.126) 4.819 10.599 ( 12.950 0.701 8.265) 15.379 11.051 ( -11.572 -0.403 -13.501) 17.786 12.135 ( -9.268 0.730 3.306) 9.867 12.440 ( 5.569 1.065 4.400) 7.177 12.921 ( 3.482 -0.088 6.457) 7.337 13.644 ( -1.873 1.765 -21.663) 21.816======================= Grid point 532 (259/355) =======================q-point: (-0.33 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 1.447 5.081 11.847) 12.971 1.977 ( 4.555 -8.135 11.514) 14.815 2.292 ( 11.626 7.406 15.852) 21.007 2.616 ( 0.041 3.136 -3.664) 4.823 2.698 ( -3.985 -1.547 -14.687) 15.297 2.714 ( 14.109 -5.778 5.012) 16.049 3.105 ( 11.625 2.478 6.071) 13.347 3.462 ( 1.424 5.911 -11.205) 12.749 3.726 ( 0.868 5.433 0.892) 5.574 3.921 ( -0.138 -3.667 0.097) 3.671 4.211 ( 8.508 -0.300 -0.743) 8.546 4.302 ( 16.643 -2.382 9.842) 19.481 4.831 ( 0.510 -2.261 -11.842) 12.066 4.976 ( 3.437 1.319 3.660) 5.191 5.367 ( -7.741 -2.511 5.413) 9.774 5.670 ( -7.991 -1.016 -8.911) 12.012 6.054 ( -2.721 1.909 6.151) 6.992 6.107 ( -7.958 1.250 -10.086) 12.909 6.464 ( 5.265 -1.092 11.216) 12.439 6.645 ( -7.340 2.621 -3.127) 8.398 6.809 ( -3.891 2.084 4.317) 6.174 7.092 ( 3.694 2.677 4.144) 6.163 7.119 ( 11.440 0.872 10.191) 15.345 7.180 ( 4.373 -4.350 3.706) 7.196 7.439 ( -6.352 0.463 -0.546) 6.392 7.787 ( 6.479 -8.047 -0.473) 10.342 8.307 ( 5.312 3.875 -4.835) 8.161 8.337 ( 1.723 0.775 1.675) 2.525 8.473 ( 1.291 -7.368 -2.037) 7.753 8.750 ( 1.240 1.350 2.369) 2.995 8.935 ( 1.242 -3.477 7.695) 8.535 8.974 ( -8.755 -0.281 -3.462) 9.419 9.423 ( 1.220 3.436 2.762) 4.574 9.694 ( -6.455 -1.266 -1.078) 6.665 10.050 ( 0.997 -0.539 -5.254) 5.375 10.180 ( 1.189 -1.932 2.469) 3.353 10.730 ( -3.685 9.352 -5.157) 11.297 10.929 ( 3.930 -9.432 -1.216) 10.290 11.920 ( -12.384 1.373 -1.821) 12.592 12.501 ( 1.257 2.372 1.630) 3.141 13.008 ( 4.614 -0.281 5.000) 6.810 13.562 ( -3.020 2.702 -15.521) 16.042======================= Grid point 533 (260/355) =======================q-point: (-0.25 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 3.839 3.608 8.831) 10.284 2.174 ( 10.365 -6.905 8.640) 15.158 2.431 ( 4.335 5.049 4.467) 8.015 2.568 ( -0.336 3.716 -2.677) 4.592 2.602 ( -3.713 4.224 -7.145) 9.093 3.035 ( 12.312 -1.007 9.068) 15.324 3.227 ( 2.461 2.053 6.884) 7.594 3.448 ( 3.237 6.598 -10.833) 13.091 3.637 ( -5.771 -4.460 -1.585) 7.464 3.930 ( 0.679 -6.468 -6.031) 8.870 4.473 ( 15.401 2.746 4.144) 16.183 4.705 ( 20.901 -0.258 1.085) 20.931 4.898 ( 5.834 -6.175 -12.388) 15.021 5.017 ( -0.532 1.371 7.213) 7.362 5.257 ( -5.284 -0.370 10.941) 12.156 5.499 ( -6.707 -0.988 -15.950) 17.331 5.895 ( -9.091 3.369 -6.330) 11.578 6.044 ( -1.169 -0.010 7.043) 7.139 6.442 ( -11.093 2.998 -8.032) 14.020 6.645 ( 8.520 -1.596 14.565) 16.949 6.729 ( -2.698 2.442 6.115) 7.116 7.158 ( 3.703 1.040 6.542) 7.589 7.281 ( 5.437 -2.117 6.266) 8.562 7.341 ( -2.128 -0.435 -3.340) 3.984 7.374 ( 11.663 0.436 13.514) 17.856 7.948 ( 5.790 -8.818 -0.198) 10.551 8.284 ( -3.112 5.668 -3.296) 7.258 8.388 ( 2.553 0.525 -0.075) 2.608 8.517 ( -1.731 -8.521 -9.367) 12.781 8.775 ( 2.110 0.716 3.041) 3.770 8.883 ( -3.289 -1.211 3.776) 5.152 8.942 ( -1.799 -3.673 -0.151) 4.093 9.444 ( 3.066 5.892 4.498) 8.022 9.623 ( -0.985 -3.346 1.215) 3.693 10.028 ( -2.668 1.645 -3.621) 4.789 10.193 ( -1.164 -1.820 2.844) 3.572 10.532 ( -8.473 6.865 -11.543) 15.880 11.117 ( 7.391 -7.635 2.233) 10.858 11.680 ( -10.633 2.142 -5.715) 12.260 12.462 ( -3.705 3.306 -0.653) 5.008 13.091 ( 3.211 -0.358 4.091) 5.213 13.497 ( -1.072 2.244 -9.494) 9.814======================= Grid point 534 (261/355) =======================q-point: (-0.17 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.718 ( 3.582 1.328 5.872) 7.006 2.357 ( -7.022 2.825 -2.682) 8.030 2.431 ( 1.408 4.906 -1.822) 5.419 2.458 ( 4.651 -2.989 -0.583) 5.559 2.633 ( 4.784 5.440 12.127) 14.126 3.157 ( 3.584 2.669 -7.649) 8.858 3.269 ( 1.569 1.255 5.894) 6.227 3.457 ( 0.736 1.629 -2.648) 3.195 3.709 ( 10.161 -7.946 1.677) 13.008 3.983 ( 1.105 -7.765 -7.206) 10.651 4.713 ( 10.751 2.981 1.552) 11.264 4.857 ( -11.090 1.518 -4.025) 11.895 4.967 ( 0.524 -1.863 -0.884) 2.128 5.108 ( 12.973 -0.546 1.291) 13.049 5.254 ( 6.007 -0.900 3.135) 6.835 5.481 ( 4.391 -1.834 -9.627) 10.739 5.687 ( -10.960 2.550 -1.809) 11.397 6.039 ( -1.298 -0.694 2.412) 2.826 6.194 ( -10.557 3.737 -5.834) 12.627 6.616 ( -5.090 4.575 7.211) 9.942 6.880 ( 9.717 -3.909 12.751) 16.501 7.222 ( 2.209 -1.513 5.178) 5.830 7.328 ( 2.809 -1.449 -1.152) 3.364 7.431 ( 7.765 2.274 10.002) 12.865 7.609 ( 11.596 0.737 13.450) 17.774 8.080 ( 1.125 -9.013 1.535) 9.212 8.154 ( -4.762 3.797 -7.053) 9.319 8.404 ( 0.162 2.065 1.659) 2.654 8.522 ( -0.976 -4.723 -10.372) 11.439 8.760 ( -5.684 1.941 1.785) 6.266 8.813 ( -1.706 -1.674 4.720) 5.290 8.977 ( 1.424 -9.377 -4.092) 10.330 9.474 ( 2.832 6.313 5.511) 8.846 9.701 ( 6.076 -1.761 5.282) 8.241 9.945 ( -3.406 1.762 -4.122) 5.630 10.157 ( -3.564 -0.171 0.307) 3.582 10.347 ( -6.768 4.640 -8.448) 11.777 11.207 ( -2.318 -1.607 -8.686) 9.133 11.560 ( 0.719 -1.448 -0.136) 1.623 12.341 ( -6.699 3.155 -1.840) 7.630 13.138 ( 1.307 -0.319 4.201) 4.411 13.479 ( 0.556 1.283 -6.003) 6.163======================= Grid point 535 (262/355) =======================q-point: (-0.08 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.790 ( 3.841 -1.064 2.779) 4.859 2.115 ( -11.644 3.938 -2.570) 12.557 2.358 ( -4.701 -0.548 -1.367) 4.926 2.614 ( 4.589 4.379 7.093) 9.516 2.763 ( 10.384 -0.288 4.909) 11.490 3.179 ( 1.140 2.823 -9.454) 9.932 3.305 ( 2.891 0.457 -0.762) 3.024 3.498 ( 2.695 -3.876 0.367) 4.735 3.931 ( 5.120 -2.076 -2.026) 5.884 4.100 ( 11.132 -7.788 0.116) 13.587 4.554 ( -14.731 3.493 -5.864) 16.235 4.877 ( -0.502 2.025 4.146) 4.641 4.911 ( 0.399 -0.901 4.371) 4.481 5.279 ( 1.631 1.275 -5.605) 5.975 5.401 ( 5.561 -3.099 -3.092) 7.077 5.496 ( -4.585 1.072 2.789) 5.473 5.604 ( 6.938 -2.603 -5.660) 9.324 5.864 ( -13.021 1.791 -9.751) 16.365 6.163 ( 6.106 2.653 5.193) 8.443 6.481 ( -7.157 4.072 4.823) 9.543 7.069 ( 6.720 -3.260 11.227) 13.484 7.282 ( 2.767 -2.419 4.776) 6.027 7.423 ( 5.997 -0.333 1.721) 6.247 7.556 ( 5.313 4.387 11.754) 13.625 7.801 ( 5.161 -0.127 7.864) 9.407 7.995 ( -2.254 0.028 0.514) 2.312 8.200 ( 2.460 -5.450 -3.187) 6.776 8.370 ( -2.690 4.398 1.408) 5.344 8.492 ( -1.962 -3.750 -6.998) 8.178 8.634 ( -6.295 3.824 -0.140) 7.367 8.827 ( 0.962 -5.365 7.006) 8.877 9.073 ( 3.529 -11.079 -5.834) 13.009 9.465 ( -0.695 8.355 5.896) 10.249 9.823 ( 5.258 1.130 2.452) 5.910 9.925 ( -0.392 -3.658 -3.705) 5.222 10.056 ( -4.157 2.634 -4.779) 6.860 10.229 ( -3.388 1.889 -0.201) 3.884 11.074 ( -7.208 5.195 -15.816) 18.141 11.676 ( 7.182 -4.827 3.769) 9.439 12.190 ( -7.307 2.086 -2.541) 8.012 13.157 ( 0.320 -0.357 4.807) 4.831 13.483 ( 0.654 0.660 -4.762) 4.852======================= Grid point 543 (263/355) =======================q-point: ( 0.58 -0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( 1.102 -0.000 11.148) 11.202 1.929 ( 4.909 -0.000 12.080) 13.040 2.335 ( 10.710 -0.000 14.623) 18.126 2.640 ( 9.963 -0.000 12.069) 15.650 2.675 ( -3.700 0.000 -16.963) 17.362 2.688 ( 6.038 -0.000 -6.780) 9.079 3.118 ( 11.800 -0.000 5.825) 13.159 3.494 ( 1.517 -0.000 -10.495) 10.604 3.762 ( -2.698 0.000 -3.336) 4.291 3.893 ( -0.061 0.000 1.032) 1.034 4.215 ( 9.590 -0.000 -0.650) 9.612 4.286 ( 17.473 -0.000 12.305) 21.371 4.819 ( -0.242 0.000 -12.196) 12.198 4.983 ( 3.292 -0.000 3.789) 5.020 5.354 ( -7.379 0.000 5.738) 9.347 5.665 ( -7.852 0.000 -8.864) 11.842 6.064 ( -1.540 0.000 7.771) 7.922 6.114 ( -9.064 0.000 -11.654) 14.764 6.458 ( 5.027 -0.000 11.751) 12.781 6.660 ( -7.751 0.000 -3.853) 8.656 6.821 ( -3.509 0.000 5.119) 6.207 7.107 ( 2.841 -0.000 7.281) 7.815 7.129 ( 11.701 -0.000 11.019) 16.072 7.151 ( 5.268 -0.000 -0.152) 5.270 7.443 ( -7.240 0.000 -1.772) 7.454 7.743 ( 7.338 -0.000 -0.073) 7.338 8.327 ( 4.057 -0.000 -5.366) 6.727 8.350 ( 6.167 -0.000 0.025) 6.167 8.424 ( -1.783 0.000 -0.349) 1.816 8.760 ( 0.493 -0.000 2.079) 2.137 8.914 ( 2.304 -0.000 7.413) 7.763 8.973 ( -9.140 0.000 -2.941) 9.601 9.442 ( 1.660 -0.000 3.190) 3.596 9.686 ( -6.946 0.000 -1.369) 7.079 10.048 ( 1.694 -0.000 -5.035) 5.312 10.170 ( 1.170 -0.000 2.433) 2.700 10.813 ( -11.605 0.000 -13.796) 18.028 10.845 ( 11.678 -0.000 7.458) 13.856 11.928 ( -12.332 0.000 -1.591) 12.434 12.513 ( 1.260 -0.000 1.670) 2.092 13.007 ( 4.615 -0.000 5.099) 6.877 13.577 ( -3.295 0.000 -15.913) 16.251======================= Grid point 545 (264/355) =======================q-point: (-0.33 0.58 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.683 ( 2.556 1.866 9.640) 10.146 2.116 ( 11.948 -3.309 7.559) 14.521 2.474 ( 3.106 2.511 3.504) 5.313 2.585 ( -4.477 0.290 -7.868) 9.057 2.644 ( 2.094 2.737 -3.130) 4.656 3.022 ( 15.376 -1.071 15.467) 21.836 3.246 ( 1.117 1.219 5.753) 5.986 3.492 ( 1.862 1.660 -12.540) 12.786 3.616 ( -8.914 0.102 -1.271) 9.004 3.871 ( 0.606 -3.830 -8.398) 9.250 4.495 ( 15.435 1.284 4.031) 16.004 4.708 ( 22.447 0.477 3.546) 22.730 4.848 ( 4.837 -2.853 -13.877) 14.970 5.027 ( -0.808 0.508 7.706) 7.765 5.253 ( -3.957 -0.193 11.603) 12.261 5.492 ( -6.837 -0.358 -15.983) 17.388 5.919 ( -9.877 1.204 -6.877) 12.095 6.046 ( -0.947 0.175 7.542) 7.603 6.465 ( -11.470 1.258 -8.067) 14.079 6.626 ( 9.652 -1.236 14.996) 17.876 6.751 ( -4.028 1.301 6.636) 7.871 7.159 ( 2.458 -0.270 8.173) 8.539 7.267 ( 4.485 -0.579 2.924) 5.386 7.343 ( -0.217 0.431 -3.375) 3.410 7.378 ( 12.486 0.244 14.116) 18.847 7.883 ( 6.267 -3.406 0.081) 7.133 8.341 ( -3.994 5.173 -4.352) 7.852 8.389 ( 1.926 -0.763 1.902) 2.812 8.441 ( 0.964 -5.317 -11.120) 12.364 8.782 ( 2.107 0.419 2.514) 3.307 8.873 ( -2.194 -0.545 1.306) 2.611 8.916 ( -3.681 -1.328 2.612) 4.705 9.497 ( 4.530 3.886 5.543) 8.145 9.586 ( -2.701 -3.107 -0.079) 4.118 10.042 ( -1.987 0.831 -2.672) 3.432 10.178 ( -0.649 -0.813 2.480) 2.690 10.586 ( -10.014 2.928 -13.308) 16.911 11.058 ( 8.886 -3.219 4.501) 10.468 11.695 ( -10.784 0.775 -5.618) 12.184 12.485 ( -3.894 1.116 -0.786) 4.126 13.088 ( 3.254 -0.099 4.231) 5.338 13.513 ( -1.622 0.810 -10.025) 10.188======================= Grid point 546 (265/355) =======================q-point: (-0.25 0.58 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 2.383 1.037 7.654) 8.083 2.357 ( 5.082 -1.806 0.677) 5.436 2.437 ( -8.702 0.372 -5.953) 10.550 2.491 ( 5.107 4.092 -0.250) 6.549 2.685 ( 2.645 4.036 9.985) 11.090 3.191 ( 2.963 3.940 -3.404) 5.991 3.266 ( 2.072 -1.848 4.453) 5.248 3.462 ( -4.585 -0.673 -2.083) 5.081 3.647 ( 13.250 -3.673 0.641) 13.764 3.918 ( 1.837 -4.562 -7.690) 9.128 4.736 ( 10.825 1.370 -1.006) 10.957 4.877 ( -10.066 2.434 -2.597) 10.677 4.946 ( 0.004 -2.287 -0.673) 2.384 5.099 ( 15.613 -0.854 -1.165) 15.679 5.249 ( 3.690 -0.175 6.833) 7.767 5.467 ( 4.389 -0.881 -9.278) 10.302 5.706 ( -11.577 1.242 -1.165) 11.701 6.038 ( -1.322 0.266 1.519) 2.031 6.227 ( -10.114 2.371 -5.431) 11.722 6.650 ( -5.965 2.086 6.689) 9.202 6.846 ( 10.035 -2.537 13.255) 16.817 7.211 ( 2.045 -0.353 7.003) 7.304 7.303 ( 2.607 -2.742 -1.881) 4.225 7.467 ( 9.696 3.577 8.412) 13.326 7.617 ( 11.485 0.687 13.972) 18.100 7.999 ( 2.191 -5.991 1.287) 6.508 8.190 ( -6.822 2.804 -7.347) 10.410 8.409 ( 0.184 -1.207 -0.886) 1.509 8.493 ( 2.537 -0.616 -9.006) 9.377 8.777 ( -6.877 1.231 3.325) 7.737 8.804 ( -1.632 -0.128 1.385) 2.145 8.894 ( 0.118 -6.412 -1.656) 6.624 9.532 ( 2.725 4.785 4.274) 6.971 9.674 ( 7.178 -3.003 6.066) 9.866 9.965 ( -4.455 1.701 -2.939) 5.602 10.154 ( -2.602 -0.314 0.789) 2.737 10.387 ( -8.032 2.855 -10.730) 13.704 11.188 ( 1.672 -1.797 -5.293) 5.834 11.552 ( -1.855 -0.201 -1.828) 2.612 12.366 ( -7.274 1.663 -2.086) 7.747 13.136 ( 1.342 -0.147 4.270) 4.478 13.490 ( 0.113 0.738 -6.325) 6.369======================= Grid point 547 (266/355) =======================q-point: (-0.17 0.58 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.781 ( 2.504 -0.650 4.063) 4.817 2.158 ( -13.114 4.264 -2.202) 13.965 2.342 ( -6.480 -2.413 -1.662) 7.111 2.664 ( 6.170 4.827 6.207) 9.995 2.764 ( 9.846 0.408 4.358) 10.775 3.208 ( 0.921 2.977 -8.764) 9.302 3.300 ( 1.354 -1.323 -1.248) 2.267 3.448 ( 1.309 -5.272 0.409) 5.448 3.924 ( 7.977 0.541 -1.452) 8.126 4.029 ( 13.146 -5.871 1.669) 14.494 4.590 ( -15.142 3.314 -7.522) 17.229 4.891 ( -5.857 0.131 8.271) 10.136 4.899 ( 5.096 -0.590 -0.607) 5.166 5.293 ( 3.153 1.348 -5.478) 6.463 5.369 ( 4.822 -2.942 -2.109) 6.029 5.504 ( -6.029 0.361 3.274) 6.870 5.585 ( 6.932 -1.049 -4.801) 8.497 5.881 ( -12.287 1.530 -9.555) 15.640 6.194 ( 6.586 2.888 4.463) 8.464 6.512 ( -7.753 1.987 3.719) 8.826 7.038 ( 7.298 -2.616 11.412) 13.797 7.263 ( 2.398 -1.130 7.196) 7.669 7.405 ( 6.273 -2.368 0.817) 6.755 7.621 ( 7.001 7.128 10.377) 14.406 7.800 ( 3.858 -0.336 6.356) 7.443 7.973 ( -1.912 -3.883 5.594) 7.073 8.165 ( 3.356 -1.335 -5.094) 6.244 8.408 ( -1.924 1.983 -0.907) 2.908 8.462 ( -3.425 -1.132 -8.141) 8.905 8.674 ( -3.936 3.755 1.335) 5.601 8.779 ( -0.170 -3.812 5.590) 6.768 8.962 ( 3.147 -9.735 -3.387) 10.777 9.545 ( -0.170 6.789 5.378) 8.663 9.824 ( 5.845 -1.152 4.415) 7.415 9.895 ( -2.061 -1.538 -4.484) 5.169 10.077 ( -4.047 1.482 -4.346) 6.121 10.248 ( -4.376 1.753 -2.867) 5.517 11.119 ( -5.599 3.302 -15.549) 16.852 11.633 ( 7.139 -3.351 4.519) 9.090 12.208 ( -8.046 1.328 -2.615) 8.564 13.154 ( 0.294 -0.230 4.821) 4.835 13.489 ( 0.434 0.483 -4.871) 4.914======================= Grid point 548 (267/355) =======================q-point: (-0.08 -0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -5.796 -3.913 0.440) 7.006 1.974 ( -0.447 1.222 0.808) 1.531 2.224 ( -7.455 -5.391 0.120) 9.201 2.717 ( 3.623 4.983 5.865) 8.506 2.962 ( 7.915 2.312 1.208) 8.333 3.179 ( -1.185 1.274 -8.257) 8.438 3.328 ( 0.734 -2.527 -3.081) 4.052 3.525 ( 2.563 -5.150 2.884) 6.435 4.005 ( 2.203 7.253 -7.039) 10.344 4.304 ( -4.181 0.455 -7.978) 9.019 4.350 ( 7.783 -3.841 8.342) 12.038 4.743 ( -9.346 -0.549 7.177) 11.796 4.963 ( 0.749 -1.497 1.416) 2.193 5.211 ( -3.476 2.639 -3.251) 5.442 5.420 ( -0.878 -4.187 -1.553) 4.551 5.497 ( -0.279 -0.523 -0.778) 0.978 5.616 ( -11.215 2.863 -7.367) 13.720 5.726 ( 5.014 -2.277 -3.494) 6.522 6.333 ( -1.264 4.132 0.829) 4.400 6.395 ( 6.975 2.669 3.745) 8.354 7.161 ( 3.355 -1.553 9.010) 9.739 7.318 ( 1.389 -2.765 8.942) 9.462 7.541 ( 5.280 -0.615 -1.170) 5.443 7.598 ( -5.218 0.885 3.602) 6.402 7.809 ( 1.896 5.061 5.952) 8.040 8.100 ( 7.512 -1.847 9.359) 12.142 8.196 ( -2.178 -0.300 -7.324) 7.647 8.343 ( 1.360 -1.211 6.821) 7.060 8.435 ( -3.026 0.209 -7.461) 8.054 8.578 ( -1.549 4.024 1.124) 4.456 8.837 ( 2.115 -3.104 6.231) 7.275 9.112 ( 7.061 -10.538 -2.832) 12.997 9.468 ( -3.459 5.977 3.569) 7.773 9.777 ( -10.692 0.653 -9.923) 14.601 9.911 ( 2.934 -1.729 1.776) 3.841 10.072 ( 1.682 0.739 -0.935) 2.062 10.209 ( 1.885 -0.541 2.616) 3.269 10.964 ( -6.100 5.788 -16.804) 18.790 11.808 ( 8.475 -3.216 4.062) 9.933 12.054 ( -7.335 0.487 -3.100) 7.978 13.164 ( 0.169 -0.323 5.172) 5.185 13.487 ( -0.077 0.288 -4.595) 4.604======================= Grid point 557 (268/355) =======================q-point: ( 0.67 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 1.852 -0.000 8.294) 8.498 2.345 ( 8.269 -0.000 0.804) 8.308 2.441 ( -10.159 0.000 -5.747) 11.671 2.513 ( 4.427 -0.000 -0.756) 4.491 2.707 ( 1.854 -0.000 9.047) 9.235 3.233 ( -0.547 0.000 -2.489) 2.548 3.235 ( 5.473 -0.000 5.013) 7.422 3.455 ( -6.619 0.000 -1.890) 6.883 3.630 ( 14.265 -0.000 -0.232) 14.267 3.893 ( 2.361 -0.000 -7.614) 7.972 4.743 ( 10.603 -0.000 -2.256) 10.840 4.898 ( -12.356 0.000 -2.130) 12.538 4.926 ( 2.399 -0.000 -0.061) 2.400 5.094 ( 16.800 -0.000 -2.280) 16.954 5.249 ( 2.874 -0.000 8.187) 8.677 5.463 ( 4.429 -0.000 -9.118) 10.137 5.713 ( -11.799 0.000 -0.953) 11.838 6.040 ( -1.343 0.000 1.198) 1.800 6.240 ( -9.962 0.000 -5.306) 11.287 6.661 ( -6.322 0.000 6.448) 9.030 6.832 ( 10.159 -0.000 13.493) 16.890 7.211 ( 2.243 -0.000 9.446) 9.709 7.286 ( 2.538 -0.000 -4.181) 4.891 7.488 ( 10.318 -0.000 8.086) 13.109 7.621 ( 11.456 -0.000 14.179) 18.228 7.966 ( 2.215 -0.000 1.313) 2.575 8.206 ( -7.662 0.000 -7.502) 10.723 8.398 ( 0.471 -0.000 -3.285) 3.319 8.494 ( 4.058 -0.000 -7.018) 8.107 8.785 ( -8.401 0.000 2.931) 8.898 8.804 ( -1.097 0.000 0.250) 1.125 8.857 ( 0.020 -0.000 0.018) 0.027 9.562 ( 1.799 -0.000 3.041) 3.533 9.653 ( 8.365 -0.000 7.046) 10.938 9.975 ( -4.766 0.000 -2.369) 5.322 10.152 ( -2.247 0.000 0.866) 2.408 10.403 ( -8.531 0.000 -11.574) 14.378 11.177 ( 3.113 -0.000 -3.965) 5.041 11.552 ( -2.731 0.000 -2.475) 3.685 12.375 ( -7.469 0.000 -2.162) 7.776 13.135 ( 1.349 -0.000 4.296) 4.503 13.493 ( -0.047 0.000 -6.442) 6.442======================= Grid point 559 (269/355) =======================q-point: (-0.25 0.67 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 1.710 -0.215 4.663) 4.971 2.196 ( -13.670 2.385 -1.911) 14.008 2.317 ( -7.350 -1.789 -1.852) 7.788 2.702 ( 7.356 2.179 5.737) 9.580 2.769 ( 8.807 0.270 4.076) 9.708 3.237 ( 0.827 2.007 -7.079) 7.404 3.286 ( 0.146 -1.039 -2.161) 2.402 3.401 ( 1.005 -3.111 -0.439) 3.299 3.938 ( 7.294 1.808 -3.434) 8.262 3.980 ( 16.421 -3.333 4.968) 17.477 4.617 ( -15.403 1.467 -8.762) 17.781 4.881 ( -4.725 -0.799 7.856) 9.202 4.902 ( 3.835 0.280 -0.212) 3.851 5.307 ( 4.041 1.163 -6.918) 8.096 5.343 ( 4.278 -1.764 -0.172) 4.631 5.504 ( -6.525 -0.117 2.790) 7.098 5.580 ( 6.596 -0.112 -3.506) 7.470 5.893 ( -11.859 0.661 -9.549) 15.241 6.217 ( 6.765 1.243 4.141) 8.028 6.524 ( -8.048 0.508 3.097) 8.639 7.018 ( 7.693 -1.053 11.495) 13.871 7.257 ( 1.755 -0.154 9.692) 9.850 7.385 ( 7.233 -1.144 -0.999) 7.391 7.686 ( 9.409 4.450 10.599) 14.854 7.791 ( 0.378 -1.132 2.827) 3.069 7.934 ( -0.057 -2.500 9.979) 10.288 8.162 ( 3.089 0.081 -5.490) 6.300 8.407 ( 0.467 -0.772 -4.755) 4.840 8.470 ( -6.909 1.212 -6.995) 9.906 8.710 ( 0.365 2.962 4.521) 5.417 8.747 ( -2.503 -2.404 2.331) 4.180 8.885 ( 2.184 -4.356 -1.596) 5.127 9.598 ( 0.452 2.893 5.079) 5.862 9.806 ( 5.433 -1.480 4.640) 7.297 9.890 ( -2.628 0.043 -3.935) 4.732 10.087 ( -3.754 0.449 -3.869) 5.409 10.262 ( -4.962 0.707 -4.614) 6.812 11.142 ( -4.551 1.100 -15.265) 15.967 11.609 ( 6.958 -1.187 4.867) 8.574 12.217 ( -8.453 0.452 -2.642) 8.868 13.153 ( 0.273 -0.078 4.831) 4.840 13.492 ( 0.307 0.177 -4.936) 4.949======================= Grid point 560 (270/355) =======================q-point: (-0.17 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( -7.024 -1.929 -0.293) 7.290 1.993 ( -2.223 2.162 2.016) 3.699 2.169 ( -9.047 -4.739 -0.522) 10.226 2.760 ( 2.754 3.098 6.759) 7.928 2.987 ( 9.952 2.257 -0.110) 10.205 3.196 ( -2.487 1.952 -6.785) 7.485 3.294 ( 0.335 -3.353 -3.034) 4.534 3.475 ( 3.252 -4.046 1.990) 5.560 4.069 ( 8.503 4.630 -5.897) 11.336 4.306 ( -0.244 -0.178 -5.877) 5.885 4.325 ( 0.536 -1.138 4.881) 5.041 4.736 ( -9.525 -0.660 7.651) 12.235 4.950 ( -0.022 -0.863 1.240) 1.511 5.235 ( -3.440 1.809 -3.167) 5.014 5.381 ( -1.253 -2.963 -0.872) 3.333 5.491 ( -0.459 -0.601 -1.955) 2.096 5.643 ( -11.175 2.292 -6.699) 13.229 5.707 ( 4.824 -1.350 -3.071) 5.876 6.366 ( -5.452 2.082 0.687) 5.876 6.418 ( 11.811 1.734 2.907) 12.286 7.148 ( 4.345 -0.930 8.897) 9.945 7.295 ( 0.825 -1.506 9.927) 10.074 7.538 ( 6.744 0.115 0.134) 6.747 7.598 ( -10.241 -0.679 -1.926) 10.442 7.862 ( 6.586 4.437 9.079) 12.062 8.076 ( 7.136 -2.532 8.648) 11.494 8.211 ( -1.775 3.268 -3.606) 5.180 8.316 ( -1.992 -4.038 3.971) 6.004 8.435 ( 0.846 -0.044 -6.257) 6.314 8.616 ( -4.367 2.653 0.437) 5.128 8.830 ( 5.480 2.125 6.691) 8.906 9.003 ( 6.793 -9.934 -1.801) 12.168 9.524 ( -5.539 4.298 1.110) 7.098 9.778 ( -9.110 -0.243 -6.724) 11.325 9.896 ( 2.487 -1.051 0.389) 2.728 10.078 ( 2.118 0.430 -0.903) 2.342 10.206 ( 0.428 -0.030 1.574) 1.631 11.010 ( -6.039 3.037 -17.479) 18.740 11.781 ( 9.136 -1.844 4.808) 10.487 12.057 ( -7.830 0.217 -2.921) 8.360 13.161 ( 0.190 -0.174 5.201) 5.208 13.489 ( -0.195 0.167 -4.605) 4.612======================= Grid point 561 (271/355) =======================q-point: (-0.08 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.591 ( -10.313 -7.126 5.178) 13.563 1.992 ( -6.376 -4.445 -1.323) 7.884 2.105 ( 4.885 -3.233 -2.391) 6.327 2.798 ( 1.251 1.277 3.830) 4.226 2.966 ( -8.237 4.306 3.553) 9.950 3.238 ( 7.274 1.953 -4.729) 8.894 3.343 ( 3.198 -3.008 -4.895) 6.576 3.518 ( -2.488 -3.044 2.471) 4.643 3.943 ( -10.966 10.382 -7.809) 17.001 4.339 ( 9.102 -0.981 -1.479) 9.273 4.453 ( -0.626 -0.844 3.855) 3.995 4.562 ( -8.251 -0.797 3.230) 8.896 4.946 ( -0.603 -2.465 3.154) 4.048 5.253 ( 1.302 1.910 -0.188) 2.320 5.364 ( -1.394 -1.036 -3.685) 4.074 5.411 ( -9.242 0.504 -3.542) 9.910 5.418 ( -4.531 -2.282 1.205) 5.214 5.792 ( 2.323 -2.373 -2.015) 3.884 6.254 ( -3.151 2.315 -1.478) 4.180 6.685 ( 15.731 4.312 3.142) 16.611 7.192 ( -1.212 1.340 4.503) 4.852 7.317 ( -1.175 -3.642 5.728) 6.889 7.407 ( -6.574 -4.616 -0.338) 8.040 7.670 ( 4.084 1.141 3.844) 5.723 7.920 ( 1.813 10.453 6.482) 12.433 8.071 ( -5.788 0.138 -0.317) 5.798 8.178 ( -1.125 -6.302 -0.595) 6.429 8.422 ( 1.843 5.774 -3.643) 7.072 8.441 ( 7.970 -3.143 11.267) 14.154 8.591 ( 1.826 -1.489 -0.153) 2.361 8.903 ( 3.641 6.462 1.062) 7.493 9.209 ( 7.522 -8.942 1.410) 11.769 9.404 ( -3.900 -1.561 1.586) 4.490 9.556 ( -11.607 2.618 -9.173) 15.024 9.937 ( 0.549 -1.160 1.046) 1.655 10.057 ( -2.837 0.773 -0.435) 2.973 10.308 ( 7.713 -1.580 3.721) 8.708 10.872 ( -4.488 3.360 -16.616) 17.536 11.913 ( -6.148 -0.058 -3.763) 7.208 11.969 ( 8.264 -1.654 3.819) 9.253 13.170 ( 0.021 -0.076 4.935) 4.936 13.473 ( -1.023 -0.066 -4.785) 4.893======================= Grid point 571 (272/355) =======================q-point: (-0.25 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( -7.370 0.000 -0.591) 7.394 2.008 ( -2.759 0.000 2.749) 3.894 2.140 ( -9.802 0.000 -1.026) 9.856 2.777 ( 2.302 -0.000 7.272) 7.628 3.000 ( 10.948 -0.000 -0.927) 10.987 3.210 ( -3.355 0.000 -5.994) 6.869 3.273 ( 0.371 -0.000 -2.889) 2.913 3.452 ( 3.637 -0.000 1.418) 3.903 4.094 ( 11.442 -0.000 -5.293) 12.607 4.304 ( 6.086 -0.000 -0.294) 6.093 4.321 ( -7.767 0.000 -1.445) 7.900 4.732 ( -9.518 0.000 7.918) 12.381 4.946 ( -0.309 0.000 1.175) 1.215 5.245 ( -3.291 0.000 -3.151) 4.556 5.364 ( -1.587 0.000 -0.729) 1.746 5.487 ( -0.425 0.000 -2.358) 2.396 5.657 ( -12.157 0.000 -6.505) 13.788 5.699 ( 5.691 -0.000 -2.816) 6.350 6.377 ( -7.348 0.000 0.741) 7.385 6.427 ( 13.948 -0.000 2.532) 14.176 7.143 ( 4.769 -0.000 8.838) 10.042 7.288 ( 0.587 -0.000 10.272) 10.289 7.540 ( 8.578 -0.000 1.591) 8.725 7.592 ( -13.152 0.000 -4.830) 14.011 7.888 ( 8.309 -0.000 10.381) 13.296 8.060 ( 6.518 -0.000 7.392) 9.855 8.248 ( 6.027 -0.000 2.540) 6.541 8.275 ( -10.836 0.000 -1.287) 10.912 8.435 ( 2.233 -0.000 -5.856) 6.267 8.629 ( -5.654 0.000 0.806) 5.711 8.860 ( 9.126 -0.000 8.851) 12.713 8.933 ( 4.590 -0.000 -3.927) 6.041 9.548 ( -6.438 0.000 0.018) 6.438 9.776 ( -7.865 0.000 -4.713) 9.169 9.890 ( 1.994 -0.000 -0.566) 2.073 10.081 ( 2.210 -0.000 -0.911) 2.390 10.206 ( -0.076 0.000 1.118) 1.120 11.026 ( -6.036 0.000 -17.723) 18.723 11.772 ( 9.376 -0.000 5.092) 10.669 12.058 ( -8.002 0.000 -2.852) 8.495 13.160 ( 0.197 -0.000 5.213) 5.217 13.490 ( -0.237 0.000 -4.610) 4.616======================= Grid point 572 (273/355) =======================q-point: (-0.17 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -12.571 -2.472 4.509) 13.582 1.958 ( -9.516 -1.850 -0.467) 9.706 2.084 ( 7.310 -0.982 -2.708) 7.858 2.806 ( -0.719 0.365 4.438) 4.511 3.000 ( -8.067 1.872 3.627) 9.041 3.263 ( 8.390 2.494 -5.885) 10.548 3.310 ( 3.508 -2.826 -3.769) 5.873 3.492 ( -1.385 -1.561 2.415) 3.192 4.022 ( -12.346 4.185 -8.173) 15.386 4.329 ( 10.787 -0.764 -3.321) 11.312 4.449 ( 0.581 -0.001 5.063) 5.096 4.555 ( -8.675 -0.437 4.104) 9.606 4.928 ( -0.831 -0.978 3.041) 3.300 5.278 ( -3.386 2.402 -0.344) 4.165 5.337 ( 8.947 -2.871 -1.159) 9.468 5.401 ( -8.756 -0.529 -1.467) 8.894 5.425 ( -11.314 0.724 -3.598) 11.895 5.775 ( 1.903 -0.860 -1.735) 2.715 6.271 ( -2.964 0.798 -1.815) 3.566 6.717 ( 15.988 1.633 3.125) 16.373 7.208 ( 1.070 1.425 5.409) 5.695 7.286 ( -3.935 -2.067 1.733) 4.771 7.372 ( -6.742 -1.877 2.308) 7.369 7.679 ( 4.983 0.426 3.618) 6.173 8.011 ( 2.197 6.146 6.389) 9.133 8.079 ( -6.406 1.167 1.184) 6.618 8.118 ( -1.402 -4.712 -2.142) 5.363 8.405 ( 8.396 -2.453 13.155) 15.798 8.474 ( 2.733 3.148 -4.333) 6.013 8.569 ( -0.025 -1.983 0.887) 2.173 8.989 ( 6.521 9.610 -0.826) 11.643 9.105 ( 9.322 -10.478 4.081) 14.606 9.397 ( -7.699 -0.147 -1.819) 7.913 9.577 ( -10.943 1.235 -7.693) 13.434 9.928 ( 1.137 -0.525 1.325) 1.823 10.063 ( -3.200 0.249 -0.544) 3.256 10.297 ( 7.762 -0.513 3.965) 8.731 10.895 ( -5.408 1.123 -17.580) 18.427 11.913 ( -6.905 -0.001 -3.184) 7.603 11.957 ( 9.227 -0.633 3.846) 10.016 13.169 ( 0.152 -0.023 4.950) 4.952 13.472 ( -1.193 -0.022 -4.736) 4.884======================= Grid point 573 (274/355) =======================q-point: (-0.08 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( -8.404 -9.383 10.555) 16.434 1.791 ( -10.063 -4.566 2.820) 11.405 2.242 ( 8.434 -1.108 -7.170) 11.125 2.672 ( -12.687 -0.712 3.266) 13.120 2.917 ( 0.325 1.978 2.465) 3.177 3.344 ( -6.309 0.855 -5.477) 8.398 3.380 ( -0.582 -0.016 0.716) 0.923 3.411 ( 2.747 0.140 -3.647) 4.568 3.830 ( -4.519 6.849 1.679) 8.375 4.247 ( -15.793 -2.198 3.320) 16.288 4.422 ( -0.722 1.755 0.223) 1.911 4.633 ( 11.205 -0.213 -1.886) 11.364 4.936 ( -1.141 -0.888 -0.260) 1.469 5.123 ( -14.561 1.697 -0.274) 14.663 5.163 ( -11.071 -1.914 -0.255) 11.239 5.249 ( -4.321 -0.970 0.210) 4.434 5.642 ( 17.119 -1.126 3.596) 17.529 5.777 ( -1.568 -2.419 0.561) 2.937 6.264 ( 3.083 1.690 -6.061) 7.007 6.966 ( 6.635 2.274 7.688) 10.407 7.126 ( -1.088 2.278 -8.451) 8.820 7.253 ( -1.003 -4.514 -0.190) 4.628 7.378 ( 1.995 -2.066 9.095) 9.538 7.695 ( -3.591 2.045 3.719) 5.560 7.860 ( -8.359 3.589 3.462) 9.733 7.986 ( -7.835 -2.136 -5.276) 9.684 8.187 ( 6.148 2.882 6.701) 9.540 8.494 ( 2.093 4.068 -2.208) 5.080 8.598 ( 8.050 -2.083 11.424) 14.130 8.633 ( 4.233 -4.466 0.114) 6.155 8.965 ( -5.325 8.756 -9.656) 14.080 9.267 ( 4.905 0.494 7.939) 9.345 9.370 ( -8.251 1.922 -7.218) 11.130 9.420 ( 8.391 -8.782 2.932) 12.496 9.924 ( -1.898 0.812 0.224) 2.077 9.995 ( -3.476 -0.629 -0.323) 3.547 10.467 ( 8.859 0.820 4.909) 10.161 10.806 ( -1.157 -1.835 -15.026) 15.182 11.787 ( -6.284 -0.479 -3.923) 7.424 12.130 ( 8.254 -0.348 2.735) 8.703 13.167 ( -0.950 0.352 4.072) 4.197 13.437 ( -2.098 -0.545 -5.169) 5.604======================= Grid point 584 (275/355) =======================q-point: (-0.17 -0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.324 ( -9.623 0.000 10.680) 14.376 1.766 ( -9.981 0.000 3.179) 10.475 2.236 ( 8.474 -0.000 -7.218) 11.131 2.668 ( -12.627 0.000 3.377) 13.070 2.928 ( -0.410 0.000 2.475) 2.509 3.349 ( -6.377 0.000 -7.050) 9.506 3.380 ( -1.519 0.000 0.742) 1.691 3.411 ( 4.573 -0.000 -1.922) 4.960 3.867 ( -4.176 0.000 1.210) 4.348 4.233 ( -15.898 0.000 3.762) 16.338 4.433 ( -1.234 0.000 0.213) 1.252 4.632 ( 11.460 -0.000 -2.109) 11.652 4.930 ( -0.523 0.000 0.063) 0.527 5.141 ( -8.564 0.000 0.768) 8.598 5.144 ( -17.302 0.000 -1.149) 17.340 5.245 ( -5.007 0.000 -0.528) 5.035 5.635 ( 17.515 -0.000 3.446) 17.850 5.764 ( -1.817 0.000 0.727) 1.957 6.273 ( 3.030 -0.000 -6.157) 6.862 6.978 ( 4.934 -0.000 7.716) 9.159 7.144 ( 0.476 -0.000 -11.896) 11.905 7.225 ( -1.022 0.000 2.729) 2.914 7.367 ( 2.206 -0.000 9.207) 9.467 7.706 ( -3.666 0.000 3.909) 5.359 7.882 ( -7.771 0.000 4.470) 8.965 7.970 ( -9.752 0.000 -7.006) 12.008 8.205 ( 7.907 -0.000 7.249) 10.727 8.531 ( 2.277 -0.000 -4.409) 4.963 8.568 ( 7.015 -0.000 12.680) 14.491 8.610 ( 4.899 -0.000 2.397) 5.454 9.014 ( -7.965 0.000 -11.176) 13.724 9.284 ( 10.264 -0.000 10.836) 14.925 9.355 ( 6.384 -0.000 -0.605) 6.413 9.382 ( -8.358 0.000 -6.001) 10.289 9.928 ( -1.268 0.000 0.694) 1.446 9.991 ( -3.913 0.000 -0.531) 3.949 10.472 ( 10.298 -0.000 6.383) 12.116 10.796 ( -3.366 0.000 -16.827) 17.161 11.784 ( -6.360 0.000 -3.555) 7.286 12.128 ( 8.417 -0.000 2.641) 8.822 13.169 ( -0.781 0.000 4.022) 4.097 13.434 ( -2.319 0.000 -5.040) 5.548======================= Grid point 585 (276/355) =======================q-point: (-0.08 -0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -4.335 -6.192 16.335) 17.999 1.598 ( -8.394 -2.387 11.548) 14.475 2.368 ( 5.819 -0.483 -8.259) 10.114 2.435 ( -11.143 -0.274 3.201) 11.597 2.930 ( -0.065 0.929 -1.780) 2.009 3.066 ( -16.371 0.097 -4.088) 16.874 3.387 ( -8.827 0.334 9.173) 12.735 3.461 ( 5.396 -0.369 -8.025) 9.678 3.825 ( -1.116 6.145 6.560) 9.058 3.922 ( -15.185 -3.153 0.154) 15.510 4.412 ( -1.792 0.659 -1.900) 2.694 4.769 ( -19.907 1.881 1.415) 20.045 4.824 ( 3.008 0.246 2.166) 3.715 4.840 ( -2.185 -1.447 -5.480) 6.075 4.984 ( -7.442 -1.576 0.027) 7.607 5.313 ( 9.674 -0.884 3.398) 10.291 5.717 ( -1.693 -0.920 4.394) 4.798 5.977 ( 16.173 -0.595 3.068) 16.472 6.350 ( 5.502 0.595 -9.947) 11.383 6.900 ( -5.902 -0.668 -1.913) 6.240 7.177 ( -3.463 1.168 -0.100) 3.656 7.306 ( 7.205 -1.150 -0.408) 7.308 7.443 ( 5.671 0.039 1.970) 6.003 7.555 ( -10.487 0.001 3.317) 10.999 7.738 ( -8.956 5.875 -2.663) 11.037 7.806 ( -6.296 -5.723 2.545) 8.881 8.334 ( 5.784 3.342 6.956) 9.644 8.534 ( -0.292 5.990 -2.927) 6.673 8.664 ( -5.729 -0.865 2.216) 6.203 8.699 ( 4.941 -4.594 1.344) 6.880 8.862 ( 0.376 0.781 1.111) 1.409 9.227 ( -5.680 -0.327 -5.563) 7.957 9.476 ( 9.801 4.292 7.731) 13.200 9.571 ( 11.587 -3.961 -0.023) 12.246 9.877 ( -3.539 1.058 -1.176) 3.876 9.930 ( -2.492 -0.741 0.250) 2.612 10.654 ( 6.299 10.961 0.969) 12.679 10.793 ( 5.854 -13.051 -6.001) 15.512 11.665 ( -5.872 -0.245 -4.211) 7.230 12.274 ( 6.734 0.037 1.425) 6.883 13.140 ( -2.569 0.657 2.895) 3.926 13.381 ( -2.893 -0.929 -5.692) 6.452======================= Grid point 597 (277/355) =======================q-point: (-0.08 -0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( 1.247 -0.000 21.626) 21.662 1.508 ( -0.711 0.000 22.869) 22.880 2.275 ( -5.966 0.000 2.331) 6.405 2.446 ( 3.556 -0.000 -7.213) 8.042 2.756 ( -14.828 0.000 -1.120) 14.870 2.927 ( -1.175 0.000 -6.553) 6.658 3.085 ( -21.995 0.000 23.030) 31.846 3.529 ( 0.976 -0.000 -15.583) 15.614 3.635 ( -13.311 0.000 -7.049) 15.063 3.871 ( 1.938 -0.000 8.625) 8.840 4.245 ( -15.162 0.000 -1.845) 15.274 4.549 ( -2.409 0.000 2.852) 3.733 4.698 ( -5.999 0.000 -6.371) 8.751 4.806 ( -6.245 0.000 4.901) 7.938 5.035 ( 9.612 -0.000 1.128) 9.678 5.531 ( 12.061 -0.000 3.269) 12.496 5.717 ( 1.420 -0.000 5.336) 5.522 6.244 ( 11.513 -0.000 3.089) 11.921 6.447 ( 5.493 -0.000 -11.847) 13.059 6.811 ( -2.990 0.000 -3.615) 4.691 7.082 ( -6.387 0.000 -3.586) 7.325 7.302 ( -5.576 0.000 -7.024) 8.969 7.351 ( -10.595 0.000 3.384) 11.122 7.557 ( -3.026 0.000 0.322) 3.043 7.643 ( 5.777 -0.000 -4.234) 7.162 7.693 ( -5.899 0.000 9.549) 11.224 8.448 ( 5.248 -0.000 5.892) 7.890 8.454 ( -11.987 0.000 -0.216) 11.989 8.528 ( -2.113 0.000 -2.408) 3.204 8.760 ( 1.839 -0.000 0.960) 2.075 8.988 ( 9.693 -0.000 7.585) 12.308 9.123 ( -5.326 0.000 -5.129) 7.394 9.620 ( 4.346 -0.000 5.701) 7.169 9.795 ( -0.918 0.000 -4.667) 4.756 9.829 ( 10.872 -0.000 2.708) 11.204 9.914 ( 1.295 -0.000 1.648) 2.096 10.733 ( 1.177 -0.000 -14.375) 14.423 10.943 ( 10.117 -0.000 12.886) 16.383 11.573 ( -2.265 0.000 -3.257) 3.968 12.379 ( 4.035 -0.000 -0.401) 4.055 13.085 ( -3.518 0.000 1.896) 3.997 13.316 ( -2.835 0.000 -6.374) 6.976======================= Grid point 598 (278/355) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 9.172 -0.000 17.849) 20.068 2.009 ( -10.538 0.000 4.353) 11.402 2.468 ( 0.448 -0.000 -0.080) 0.455 2.487 ( 10.446 -0.000 9.418) 14.065 2.617 ( 2.070 -0.000 -7.017) 7.316 2.653 ( 5.555 -0.000 3.257) 6.440 2.904 ( -10.408 0.000 -8.681) 13.553 2.925 ( -7.417 0.000 -12.541) 14.570 3.093 ( 1.295 -0.000 27.940) 27.970 3.564 ( -1.024 0.000 -20.475) 20.501 4.249 ( 3.998 -0.000 6.412) 7.556 4.360 ( -5.992 0.000 -4.598) 7.553 4.691 ( 4.484 -0.000 1.620) 4.768 4.723 ( -0.231 0.000 -2.085) 2.098 5.714 ( 10.685 -0.000 10.545) 15.012 5.829 ( -2.590 0.000 -0.796) 2.710 5.956 ( 9.133 -0.000 3.665) 9.841 6.123 ( -13.023 0.000 -14.380) 19.401 6.574 ( 3.083 -0.000 1.524) 3.439 6.614 ( -5.738 0.000 -2.640) 6.316 6.830 ( 6.576 -0.000 3.590) 7.492 6.910 ( -9.364 0.000 -4.379) 10.338 7.133 ( -4.779 0.000 3.669) 6.025 7.209 ( 2.304 -0.000 -4.318) 4.895 7.765 ( -3.885 0.000 10.904) 11.576 7.917 ( 6.494 -0.000 -4.713) 8.024 8.315 ( -0.893 0.000 4.763) 4.846 8.393 ( 0.417 -0.000 -3.452) 3.477 8.701 ( -0.765 0.000 2.255) 2.381 8.763 ( -1.884 0.000 -3.647) 4.104 8.947 ( 8.274 -0.000 7.734) 11.325 9.089 ( -7.011 0.000 -6.852) 9.804 9.643 ( -8.930 0.000 6.639) 11.127 9.766 ( 6.422 -0.000 -5.128) 8.218 10.146 ( 5.142 -0.000 1.704) 5.417 10.181 ( -1.461 0.000 -1.804) 2.321 10.797 ( 13.693 -0.000 -1.098) 13.737 10.818 ( -14.462 0.000 -1.949) 14.592 12.050 ( 11.705 -0.000 9.434) 15.034 12.216 ( -9.528 0.000 -7.675) 12.235 13.039 ( -0.019 0.000 2.792) 2.792 13.119 ( 0.243 -0.000 -5.591) 5.596======================= Grid point 599 (279/355) =======================q-point: ( 0.08 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.808 ( -10.043 -0.105 4.039) 10.825 2.053 ( 8.371 -1.054 16.399) 18.442 2.475 ( 1.187 1.011 1.528) 2.183 2.531 ( -3.126 3.481 -4.339) 6.381 2.591 ( -5.794 2.791 -8.605) 10.743 2.652 ( -2.927 -6.528 -16.130) 17.645 2.837 ( 4.465 0.256 8.175) 9.319 2.999 ( 12.984 -0.695 7.027) 14.780 3.383 ( 22.488 -1.866 23.798) 32.796 3.661 ( 10.388 -1.098 -19.188) 21.847 4.259 ( -3.202 0.469 -4.486) 5.531 4.305 ( 2.105 -0.496 8.358) 8.633 4.739 ( 1.893 0.163 -6.343) 6.621 4.811 ( 7.804 -0.096 -0.645) 7.831 5.735 ( -8.230 2.027 -10.925) 13.827 5.811 ( -5.334 1.264 0.082) 5.483 5.836 ( -9.660 -3.172 -4.928) 11.299 6.107 ( 4.303 -0.234 6.193) 7.545 6.493 ( -4.571 -1.039 1.597) 4.953 6.608 ( 0.593 -0.864 3.419) 3.576 6.783 ( -3.078 -0.328 -1.260) 3.342 6.987 ( 5.037 -0.347 3.391) 6.082 7.106 ( 4.871 0.637 8.936) 10.197 7.292 ( 5.992 0.535 -1.583) 6.221 7.690 ( -5.071 0.821 7.431) 9.034 8.016 ( 4.285 -0.032 -7.394) 8.546 8.324 ( 1.950 2.207 4.797) 5.629 8.398 ( 0.696 2.414 -1.942) 3.175 8.719 ( 2.376 2.410 3.922) 5.181 8.769 ( 3.838 1.033 -1.620) 4.292 8.946 ( -7.005 -1.955 -7.485) 10.436 9.114 ( 7.009 -1.775 6.051) 9.428 9.444 ( -11.528 0.818 8.556) 14.379 9.811 ( -1.719 0.301 -1.680) 2.422 10.136 ( -1.481 3.679 -6.792) 7.865 10.206 ( 0.351 -1.459 -1.662) 2.239 10.547 ( -12.998 -1.086 -0.620) 13.058 11.051 ( 12.802 1.293 -0.134) 12.868 11.977 ( -14.834 -1.412 -9.213) 17.519 12.235 ( 6.185 -2.332 6.599) 9.340 13.065 ( 2.478 0.568 2.968) 3.908 13.148 ( 2.796 -1.349 -5.658) 6.453======================= Grid point 600 (280/355) =======================q-point: ( 0.17 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -5.066 -1.303 2.711) 5.891 2.169 ( -0.190 -2.643 1.800) 3.203 2.415 ( -0.288 5.007 -7.955) 9.404 2.485 ( -2.193 -1.833 2.473) 3.779 2.568 ( 4.451 1.970 7.991) 9.357 2.668 ( 3.463 -7.263 -18.075) 19.785 2.983 ( 7.841 -2.452 10.651) 13.452 3.264 ( 11.947 0.248 10.822) 16.122 3.782 ( 7.515 3.235 -6.410) 10.393 3.873 ( 17.462 -2.715 8.825) 19.753 4.249 ( 4.048 1.292 -5.278) 6.776 4.434 ( 12.219 0.109 5.234) 13.293 4.781 ( 4.419 1.867 -9.711) 10.831 4.961 ( 6.982 -0.677 -0.306) 7.021 5.451 ( -15.196 -0.268 -15.856) 21.964 5.646 ( -9.705 2.425 2.264) 10.257 5.717 ( -7.615 -4.089 -2.742) 9.067 6.150 ( 1.442 0.181 4.584) 4.809 6.407 ( -8.063 -1.423 -3.915) 9.075 6.635 ( 1.207 -2.378 5.812) 6.394 6.828 ( 6.984 -0.028 7.591) 10.315 7.034 ( 2.963 -1.180 4.657) 5.644 7.307 ( 11.915 0.328 11.139) 16.314 7.413 ( 7.091 0.788 1.584) 7.308 7.569 ( -7.415 2.106 2.688) 8.164 8.061 ( 0.767 -1.287 -7.462) 7.611 8.356 ( 3.210 8.529 2.977) 9.587 8.397 ( 0.953 1.948 2.021) 2.965 8.706 ( -3.322 4.180 -6.407) 8.340 8.868 ( 5.066 2.046 2.350) 5.947 8.896 ( 3.174 -0.679 -1.280) 3.489 9.132 ( -9.508 -5.731 -1.073) 11.153 9.340 ( 2.915 1.545 15.146) 15.501 9.730 ( -5.037 -0.181 -0.110) 5.042 10.031 ( -6.904 5.436 -7.789) 11.743 10.181 ( -3.757 -6.400 -8.568) 11.335 10.387 ( -4.161 1.212 3.679) 5.685 11.243 ( 7.438 2.394 -1.634) 7.983 11.684 ( -14.832 -2.896 -8.242) 17.214 12.318 ( 0.761 -3.347 3.185) 4.683 13.124 ( 3.440 0.567 3.522) 4.956 13.217 ( 3.996 -1.528 -5.533) 6.994======================= Grid point 601 (281/355) =======================q-point: ( 0.25 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.428 -3.969 0.765) 4.065 2.121 ( -3.868 -5.456 -9.397) 11.534 2.367 ( -4.483 -0.869 -8.554) 9.696 2.530 ( 6.652 3.576 10.430) 12.877 2.702 ( 7.573 -1.013 14.056) 15.999 2.807 ( 9.168 -2.264 -14.626) 17.409 3.151 ( 6.416 -6.429 7.440) 11.741 3.384 ( -1.679 -0.592 7.731) 7.934 3.852 ( 7.100 4.036 1.364) 8.280 4.073 ( 4.201 7.821 -3.803) 9.659 4.427 ( 11.848 -1.793 -0.065) 11.983 4.717 ( 15.471 1.964 -2.085) 15.734 4.896 ( 9.386 3.728 -8.263) 13.049 4.997 ( -7.328 -4.204 -1.097) 8.519 5.260 ( 0.834 0.840 -12.507) 12.563 5.463 ( -7.576 -0.585 11.858) 14.084 5.611 ( -6.012 -4.549 -7.228) 10.444 6.177 ( 0.387 1.793 2.556) 3.146 6.198 ( -12.489 -1.901 -6.965) 14.426 6.682 ( 0.711 -4.550 9.248) 10.331 6.994 ( 8.986 1.097 9.499) 13.122 7.159 ( 8.086 -3.092 8.048) 11.820 7.390 ( -7.998 4.138 -2.820) 9.437 7.527 ( 8.623 1.457 7.806) 11.722 7.568 ( 9.637 -0.517 6.283) 11.516 8.045 ( -2.484 -1.715 -5.684) 6.436 8.361 ( 2.134 9.500 4.440) 10.702 8.411 ( 0.598 1.121 2.502) 2.806 8.582 ( -4.955 6.663 -9.971) 12.976 8.861 ( -5.638 1.866 2.327) 6.378 8.987 ( 4.391 2.487 -4.091) 6.497 9.023 ( -1.588 -2.705 4.234) 5.269 9.407 ( 1.264 -1.898 8.855) 9.143 9.683 ( -0.092 -2.649 1.453) 3.023 9.884 ( -4.136 0.467 -5.641) 7.010 10.117 ( -5.148 -3.952 -9.297) 11.338 10.336 ( -1.441 2.368 4.313) 5.127 11.195 ( -12.327 -2.300 -10.226) 16.181 11.565 ( 3.175 1.371 0.059) 3.459 12.310 ( -3.469 -3.446 0.215) 4.894 13.187 ( 2.943 0.339 4.255) 5.185 13.293 ( 3.609 -1.038 -5.290) 6.488======================= Grid point 602 (282/355) =======================q-point: ( 0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 3.735 -6.058 0.326) 7.125 2.086 ( -3.247 -7.049 -7.264) 10.630 2.284 ( -3.013 -1.121 -7.907) 8.536 2.655 ( 6.562 3.420 9.451) 12.003 2.846 ( 5.447 0.403 13.596) 14.652 2.974 ( 8.230 1.105 -7.851) 11.428 3.276 ( -3.772 -3.996 3.710) 6.630 3.316 ( 3.061 -4.807 -0.817) 5.757 3.990 ( 4.573 7.044 3.082) 8.946 4.076 ( 6.529 7.726 -0.344) 10.121 4.625 ( 9.716 0.526 -7.015) 11.996 4.708 ( -15.526 -3.427 -4.658) 16.567 4.966 ( 9.178 2.920 -2.053) 9.847 5.110 ( 9.008 0.446 -2.998) 9.505 5.349 ( 4.317 0.328 -6.382) 7.712 5.421 ( 2.141 -2.427 12.714) 13.119 5.523 ( -4.331 -4.195 -6.563) 8.912 5.924 ( -14.454 -1.695 -8.882) 17.049 6.201 ( 1.683 2.062 2.973) 3.990 6.690 ( -4.738 -4.583 11.905) 13.608 7.157 ( 7.796 1.161 7.648) 10.982 7.249 ( -2.289 3.794 -6.351) 7.744 7.350 ( 8.194 -4.054 8.692) 12.614 7.669 ( 7.057 2.685 8.999) 11.747 7.762 ( 9.086 -0.493 3.281) 9.672 7.981 ( -4.860 -2.005 -2.764) 5.939 8.340 ( -0.813 6.004 3.633) 7.065 8.408 ( -0.439 2.656 1.661) 3.164 8.457 ( -3.082 5.112 -6.694) 8.969 8.728 ( -6.558 -0.124 0.653) 6.592 9.007 ( -0.958 4.592 -6.095) 7.691 9.035 ( 3.510 4.484 5.357) 7.819 9.441 ( -0.158 -7.452 3.770) 8.353 9.719 ( 0.731 -4.424 -2.177) 4.984 9.894 ( 4.710 0.944 0.937) 4.894 10.015 ( -5.892 -1.685 -6.621) 9.021 10.305 ( -1.123 1.734 4.422) 4.881 10.936 ( -13.773 -4.813 -12.439) 19.172 11.664 ( 6.921 3.415 2.079) 7.993 12.232 ( -6.134 -2.928 -1.833) 7.040 13.235 ( 1.803 0.244 5.033) 5.351 13.350 ( 2.347 -0.627 -5.226) 5.763======================= Grid point 603 (283/355) =======================q-point: ( 0.42 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.820 ( 4.104 -4.631 0.655) 6.222 2.026 ( -5.096 -2.439 -2.712) 6.267 2.273 ( 0.879 -2.062 -6.310) 6.697 2.723 ( 0.780 0.976 6.467) 6.586 2.928 ( 3.606 1.978 9.887) 10.709 3.057 ( 1.495 0.191 -1.183) 1.916 3.257 ( 2.678 -0.779 -3.843) 4.748 3.428 ( 4.028 -3.082 -3.560) 6.197 3.945 ( -0.825 7.216 -3.055) 7.879 4.247 ( 5.256 -1.054 7.541) 9.252 4.472 ( -4.234 1.927 -0.242) 4.659 4.801 ( 9.341 1.508 -9.162) 13.171 5.030 ( -3.038 -0.967 5.914) 6.719 5.153 ( -4.790 -1.341 -5.228) 7.217 5.382 ( 2.547 -0.872 -2.266) 3.519 5.512 ( 1.457 -0.273 -0.878) 1.723 5.542 ( 6.665 0.964 -1.070) 6.819 5.688 ( -10.226 -2.941 -5.365) 11.916 6.243 ( 3.934 1.233 3.202) 5.220 6.563 ( -10.039 -2.183 6.868) 12.357 7.268 ( 4.348 1.411 2.970) 5.451 7.293 ( 6.943 0.567 0.058) 6.967 7.485 ( 3.128 -2.311 4.735) 6.128 7.776 ( 3.623 0.964 11.107) 11.722 7.879 ( -6.212 -3.015 -1.285) 7.023 7.913 ( 7.164 2.455 -1.901) 7.808 8.276 ( -3.623 1.725 0.849) 4.101 8.341 ( -2.478 3.186 -8.544) 9.450 8.459 ( 2.948 0.837 8.659) 9.185 8.637 ( -2.983 0.558 2.520) 3.945 8.929 ( -3.887 3.024 -7.690) 9.132 9.116 ( 7.848 7.207 6.916) 12.703 9.483 ( 0.002 -6.798 2.526) 7.253 9.696 ( -6.482 -4.668 -10.759) 13.400 9.947 ( 0.044 1.330 0.438) 1.401 9.991 ( 4.572 0.283 1.315) 4.766 10.291 ( 0.541 2.007 6.282) 6.617 10.731 ( -9.461 -5.796 -13.049) 17.129 11.781 ( 7.076 3.414 2.705) 8.309 12.115 ( -7.215 -2.228 -2.889) 8.085 13.262 ( 0.787 0.304 5.602) 5.665 13.379 ( 1.038 -0.443 -5.347) 5.464======================= Grid point 604 (284/355) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( -0.437 4.162 1.841) 4.572 1.961 ( -0.092 -1.612 -0.572) 1.713 2.263 ( -2.678 2.463 -0.923) 3.754 2.738 ( 1.598 -2.694 1.990) 3.711 3.002 ( 3.520 -0.392 3.287) 4.832 3.067 ( 0.556 -0.286 -2.149) 2.238 3.288 ( -0.968 0.286 -2.179) 2.402 3.485 ( 1.337 -0.655 -6.089) 6.268 3.905 ( -2.876 -1.449 1.151) 3.420 4.214 ( 0.327 0.391 -2.371) 2.425 4.602 ( 8.113 2.687 12.481) 15.127 4.817 ( -12.480 0.400 -4.106) 13.145 4.955 ( 3.802 0.935 0.970) 4.033 5.089 ( -0.210 -2.330 -6.154) 6.583 5.412 ( -0.851 0.381 -0.925) 1.314 5.509 ( -3.931 -1.151 -0.064) 4.096 5.553 ( -2.801 0.733 3.190) 4.307 5.653 ( 5.066 1.824 -5.924) 8.006 6.329 ( -0.201 -1.955 1.806) 2.669 6.438 ( 1.602 -1.369 2.450) 3.232 7.316 ( 0.112 1.412 4.406) 4.628 7.414 ( 3.162 0.559 0.485) 3.248 7.499 ( -0.630 0.755 -1.948) 2.182 7.769 ( -1.297 3.762 8.002) 8.937 7.840 ( -0.926 -8.246 5.473) 9.940 8.017 ( 4.047 3.095 -9.279) 10.585 8.216 ( -1.094 -1.840 2.105) 3.002 8.282 ( -2.808 0.020 -5.473) 6.151 8.539 ( 3.512 -1.749 6.928) 7.962 8.618 ( 1.884 2.504 6.952) 7.625 8.832 ( -4.574 -0.271 -8.841) 9.958 9.259 ( 9.621 6.967 8.766) 14.763 9.499 ( -3.481 -3.962 -3.072) 6.103 9.540 ( -6.878 -0.480 -6.343) 9.369 9.965 ( 1.059 1.523 1.108) 2.161 10.041 ( 0.457 -1.101 -0.850) 1.464 10.329 ( 3.989 2.701 7.322) 8.765 10.612 ( -4.810 -5.055 -12.232) 14.083 11.895 ( 5.006 1.845 1.817) 5.636 11.994 ( -4.838 -0.881 -1.948) 5.289 13.273 ( 0.083 0.337 5.760) 5.770 13.386 ( 0.010 -0.312 -5.492) 5.501======================= Grid point 605 (285/355) =======================q-point: (-0.42 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -3.046 10.665 4.100) 11.825 2.001 ( 1.492 2.111 -0.733) 2.687 2.168 ( -3.033 4.914 3.592) 6.800 2.803 ( 1.970 -2.946 -1.300) 3.775 2.988 ( -6.631 -4.590 2.947) 8.587 3.149 ( 7.578 0.086 -5.360) 9.283 3.226 ( -3.378 0.810 -5.906) 6.852 3.454 ( -4.192 -0.291 -5.161) 6.655 3.860 ( -3.121 -6.730 5.136) 9.022 4.338 ( 10.866 3.732 -1.673) 11.610 4.533 ( -13.045 -1.558 -3.126) 13.504 4.606 ( -7.201 -1.160 8.382) 11.111 5.013 ( -0.450 0.996 2.853) 3.056 5.201 ( 8.043 -0.270 -5.630) 9.821 5.332 ( -6.321 1.195 1.781) 6.675 5.414 ( -5.207 -0.833 5.455) 7.587 5.528 ( 2.038 3.726 3.481) 5.491 5.718 ( 3.482 2.568 -6.702) 7.978 6.252 ( -4.757 -2.386 1.828) 5.627 6.654 ( 14.674 -3.249 -1.843) 15.142 7.235 ( -8.281 1.239 1.454) 8.498 7.351 ( -3.522 3.534 -2.208) 5.456 7.527 ( 1.003 1.753 1.511) 2.522 7.760 ( -0.661 0.303 7.067) 7.104 7.912 ( 2.747 -8.389 2.948) 9.307 7.968 ( -5.495 1.916 -8.981) 10.701 8.219 ( -2.139 0.330 0.679) 2.268 8.296 ( 5.365 -4.346 -0.374) 6.914 8.590 ( 2.178 1.623 -1.516) 3.110 8.693 ( 3.059 -2.695 5.514) 6.857 8.762 ( -2.000 -3.644 -1.980) 4.604 9.304 ( -8.107 -4.770 -10.508) 14.103 9.422 ( 3.647 6.302 8.598) 11.266 9.532 ( 4.497 7.396 4.733) 9.865 9.951 ( -2.267 -0.823 -0.266) 2.426 10.029 ( -1.772 -0.285 -1.635) 2.428 10.395 ( 1.767 -1.630 0.307) 2.424 10.602 ( 4.601 1.590 -4.406) 6.566 11.838 ( -6.698 -1.669 -3.424) 7.705 12.056 ( 7.401 2.045 3.294) 8.355 13.272 ( -0.734 0.186 5.467) 5.519 13.373 ( -0.970 -0.063 -5.543) 5.628======================= Grid point 606 (286/355) =======================q-point: (-0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( -3.575 12.832 5.536) 14.425 1.946 ( -2.864 6.522 6.916) 9.928 2.184 ( 4.876 2.094 0.518) 5.332 2.763 ( -8.857 0.197 3.840) 9.656 2.867 ( -6.138 -4.623 -3.134) 8.299 3.114 ( -6.751 -0.092 -13.695) 15.269 3.329 ( 9.275 -1.233 -2.923) 9.802 3.367 ( -2.848 2.960 -2.907) 5.032 3.870 ( -1.420 -9.941 8.620) 13.234 4.222 ( -15.049 -0.504 -7.249) 16.712 4.470 ( -4.889 -2.317 6.899) 8.768 4.639 ( 13.612 2.114 2.061) 13.928 4.936 ( -7.891 -1.312 1.131) 8.078 5.089 ( -14.614 -1.759 -0.848) 14.744 5.232 ( -5.981 2.306 4.788) 8.001 5.378 ( 1.244 4.418 7.904) 9.140 5.671 ( 8.110 3.568 -9.531) 13.013 5.784 ( 9.877 1.728 4.615) 11.038 6.209 ( -1.276 -2.308 0.999) 2.820 6.918 ( 6.900 1.106 -11.047) 13.072 7.096 ( -0.762 -2.561 7.471) 7.934 7.267 ( -3.674 2.475 -2.865) 5.276 7.487 ( -3.833 3.517 -2.995) 6.002 7.725 ( -5.005 -3.317 3.594) 6.998 7.808 ( -9.479 -1.363 -4.524) 10.591 7.964 ( -0.171 1.439 0.021) 1.449 8.252 ( 3.381 -7.676 6.999) 10.924 8.402 ( 3.310 -2.404 -2.326) 4.706 8.599 ( -1.316 -0.183 -10.081) 10.168 8.728 ( 1.305 -7.281 -0.581) 7.420 8.827 ( 3.947 -1.424 10.186) 11.016 9.191 ( -3.966 -3.642 -8.325) 9.915 9.432 ( 2.266 7.135 5.002) 9.003 9.617 ( 5.921 7.399 6.867) 11.703 9.904 ( -3.009 -1.334 0.233) 3.300 9.980 ( -2.698 -0.111 -1.895) 3.299 10.415 ( -0.331 -5.151 -6.075) 7.972 10.760 ( 13.776 7.946 4.485) 16.523 11.714 ( -6.822 -1.531 -3.359) 7.757 12.189 ( 7.064 1.570 2.645) 7.705 13.250 ( -2.093 -0.101 4.875) 5.306 13.339 ( -2.095 0.317 -5.513) 5.906======================= Grid point 607 (287/355) =======================q-point: (-0.25 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( -1.795 8.598 9.213) 12.729 1.903 ( 1.403 6.197 13.246) 14.691 2.274 ( 5.064 1.819 -0.926) 5.459 2.548 ( -11.644 2.498 8.339) 14.539 2.770 ( -7.028 -6.155 -10.241) 13.862 2.950 ( -7.540 4.134 -10.389) 13.486 3.303 ( -2.571 1.703 -7.699) 8.294 3.470 ( 3.886 -0.034 -0.638) 3.938 3.870 ( -12.884 -5.038 2.952) 14.145 3.953 ( -5.610 -6.471 4.216) 9.546 4.403 ( -4.899 -0.229 1.752) 5.208 4.718 ( -12.745 -2.421 -2.331) 13.181 4.798 ( -13.710 -1.149 1.993) 13.902 4.919 ( 12.817 2.955 5.995) 14.455 5.091 ( -7.557 2.750 5.719) 9.868 5.444 ( 7.009 2.936 7.430) 10.627 5.706 ( 2.327 2.469 -8.542) 9.191 6.067 ( 15.844 1.593 5.548) 16.863 6.219 ( 0.929 -1.518 -2.464) 3.039 6.839 ( -5.202 3.796 -6.619) 9.234 7.128 ( -6.176 -0.297 -4.082) 7.409 7.303 ( 0.734 1.142 -2.531) 2.872 7.376 ( 2.888 -1.895 -5.597) 6.577 7.591 ( -9.739 -1.202 0.314) 9.818 7.652 ( -7.678 -1.222 -1.891) 8.001 7.935 ( -1.569 2.450 5.230) 5.984 8.385 ( 3.361 -12.395 6.748) 14.508 8.441 ( -0.122 -2.835 -2.402) 3.718 8.531 ( -4.889 -3.612 -7.395) 9.573 8.815 ( 3.220 -0.121 6.397) 7.163 8.913 ( 4.513 -1.925 1.869) 5.250 9.143 ( -1.661 3.239 -5.896) 6.929 9.509 ( 7.137 -0.843 -0.289) 7.192 9.674 ( 3.725 4.608 2.896) 6.596 9.840 ( -3.200 -0.162 -1.065) 3.376 9.967 ( 1.230 0.308 4.957) 5.117 10.439 ( 0.476 -5.632 -6.629) 8.711 11.014 ( 16.345 10.030 8.080) 20.809 11.593 ( -5.998 -1.249 -2.877) 6.768 12.302 ( 5.217 1.411 1.034) 5.502 13.201 ( -3.661 -0.365 4.251) 5.622 13.282 ( -3.046 0.752 -5.532) 6.360======================= Grid point 608 (288/355) =======================q-point: (-0.17 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 3.613 2.261 13.777) 14.421 1.972 ( 7.633 4.499 18.724) 20.714 2.318 ( -4.528 -0.401 0.671) 4.595 2.375 ( -0.407 4.260 5.596) 7.045 2.663 ( -6.163 -5.936 -7.126) 11.135 2.783 ( -6.445 5.248 -10.800) 13.628 3.226 ( -4.598 -0.315 -14.571) 15.283 3.432 ( -8.212 0.645 0.877) 8.284 3.535 ( -19.111 -0.047 7.740) 20.619 3.976 ( -3.041 -6.198 3.446) 7.716 4.197 ( -13.403 1.071 -1.555) 13.535 4.541 ( -6.142 -2.451 -4.606) 8.059 4.640 ( -2.730 1.279 3.304) 4.472 4.916 ( -8.070 2.375 4.109) 9.362 5.182 ( 13.762 2.572 11.377) 18.040 5.603 ( 9.583 0.811 3.681) 10.298 5.762 ( 4.565 0.117 -1.851) 4.927 6.244 ( 1.672 -0.668 -6.169) 6.427 6.329 ( 11.642 1.644 3.228) 12.193 6.739 ( -2.994 2.368 -5.000) 6.290 6.976 ( -8.818 0.179 -6.981) 11.249 7.156 ( -6.724 1.025 -8.022) 10.518 7.402 ( -9.594 -1.382 1.731) 9.847 7.489 ( -9.666 0.021 -6.436) 11.613 7.596 ( 10.406 -2.284 -0.633) 10.672 7.888 ( -3.186 0.969 9.754) 10.307 8.411 ( -5.529 -6.407 -1.944) 8.683 8.434 ( -2.505 -5.192 -2.084) 6.130 8.561 ( 6.043 -4.049 7.413) 10.386 8.816 ( -2.370 1.348 3.580) 4.500 8.984 ( -2.301 -3.180 -5.180) 6.499 9.127 ( 6.175 8.504 -0.027) 10.510 9.609 ( 0.299 -3.582 -11.232) 11.793 9.712 ( 2.768 1.193 1.662) 3.442 9.897 ( 7.279 -4.397 5.893) 10.346 10.016 ( 5.280 4.377 7.675) 10.293 10.480 ( 1.598 -5.575 -6.497) 8.709 11.196 ( 2.876 6.923 4.493) 8.740 11.563 ( 6.249 1.342 3.268) 7.179 12.364 ( 1.846 1.319 -1.529) 2.736 13.129 ( -4.279 -0.517 3.732) 5.701 13.211 ( -3.220 1.147 -5.639) 6.594======================= Grid point 609 (289/355) =======================q-point: (-0.08 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 7.843 -0.021 16.285) 18.075 2.148 ( 1.032 1.335 21.343) 21.409 2.225 ( 5.980 -0.136 1.708) 6.221 2.426 ( 4.099 1.429 1.516) 4.598 2.602 ( -1.748 -1.987 0.561) 2.705 2.648 ( -4.182 1.386 -11.800) 12.596 3.095 ( -8.204 -1.640 -16.129) 18.170 3.173 ( -15.435 1.231 -10.142) 18.510 3.230 ( -14.014 1.242 24.541) 28.288 3.750 ( -15.056 0.315 -13.962) 20.536 4.153 ( 4.268 -0.556 6.132) 7.491 4.460 ( -3.729 -0.203 -7.367) 8.260 4.637 ( 1.539 1.002 4.089) 4.483 4.775 ( -5.533 0.527 2.718) 6.187 5.453 ( 14.525 1.075 13.636) 19.952 5.783 ( 9.129 -0.004 1.426) 9.240 5.836 ( 2.090 -0.313 1.800) 2.776 6.263 ( -0.623 -0.468 -10.267) 10.297 6.491 ( 6.070 1.049 1.335) 6.303 6.684 ( -1.930 1.253 -4.373) 4.942 6.817 ( -5.377 0.174 -4.405) 6.953 7.056 ( -4.219 0.246 -4.386) 6.090 7.244 ( -7.746 -1.519 2.444) 8.264 7.284 ( -9.589 0.486 -7.848) 12.401 7.780 ( 7.932 -1.397 -1.984) 8.295 7.828 ( -3.630 0.278 11.490) 12.053 8.346 ( -3.335 -2.241 3.158) 5.110 8.404 ( -1.914 -2.096 -3.206) 4.282 8.710 ( 4.397 -5.136 4.665) 8.214 8.757 ( -1.175 2.344 1.922) 3.251 8.898 ( -4.258 -0.040 -4.181) 5.967 9.183 ( -0.034 3.782 -1.895) 4.230 9.638 ( 5.157 -1.334 -9.600) 10.979 9.743 ( -1.858 -0.729 5.168) 5.540 10.032 ( 5.167 -2.873 3.791) 7.023 10.148 ( 6.510 2.277 4.351) 8.155 10.575 ( 7.598 -3.817 -4.604) 9.669 11.071 ( -10.671 2.571 -1.119) 11.034 11.790 ( 14.798 2.555 9.734) 17.896 12.344 ( -3.250 0.950 -4.725) 5.813 13.064 ( -2.894 -0.480 3.193) 4.336 13.147 ( -2.131 1.111 -5.652) 6.141======================= Grid point 611 (290/355) =======================q-point: ( 0.08 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( -5.425 0.000 2.219) 5.861 2.155 ( -0.503 0.000 1.742) 1.814 2.448 ( 0.769 -0.000 4.104) 4.176 2.468 ( -5.197 0.000 -4.403) 6.811 2.601 ( 1.967 -0.000 -2.489) 3.172 2.608 ( 7.880 -0.000 -13.702) 15.807 2.970 ( 7.063 -0.000 11.752) 13.711 3.266 ( 11.929 -0.000 10.651) 15.992 3.804 ( 4.549 -0.000 -12.581) 13.378 3.854 ( 22.387 -0.000 16.292) 27.688 4.256 ( 3.669 -0.000 -5.518) 6.627 4.434 ( 12.659 -0.000 5.282) 13.717 4.791 ( 4.883 -0.000 -9.960) 11.092 4.957 ( 6.562 -0.000 -0.687) 6.598 5.450 ( -15.631 0.000 -17.110) 23.175 5.676 ( -11.980 0.000 5.066) 13.007 5.677 ( -5.495 0.000 -4.860) 7.336 6.151 ( 1.689 -0.000 4.663) 4.960 6.400 ( -7.892 0.000 -3.891) 8.799 6.623 ( 0.880 -0.000 5.698) 5.766 6.828 ( 7.321 -0.000 7.419) 10.423 7.028 ( 2.660 -0.000 4.834) 5.518 7.309 ( 11.856 -0.000 11.404) 16.450 7.417 ( 6.998 -0.000 1.240) 7.107 7.581 ( -7.289 0.000 2.840) 7.823 8.054 ( 0.627 -0.000 -7.149) 7.177 8.391 ( 2.917 -0.000 3.758) 4.758 8.420 ( 1.006 -0.000 1.176) 1.548 8.728 ( -3.343 0.000 -5.996) 6.865 8.884 ( 7.358 -0.000 -2.877) 7.900 8.888 ( 2.732 -0.000 4.126) 4.948 9.098 ( -9.882 0.000 -2.113) 10.105 9.349 ( 2.135 -0.000 15.654) 15.799 9.729 ( -5.375 0.000 -0.262) 5.382 10.075 ( -11.150 0.000 -7.740) 13.573 10.132 ( -0.844 0.000 -8.664) 8.705 10.394 ( -3.444 0.000 4.626) 5.767 11.256 ( 7.022 -0.000 -3.202) 7.718 11.669 ( -14.423 0.000 -8.419) 16.700 12.300 ( 0.977 -0.000 3.836) 3.958 13.127 ( 3.347 -0.000 3.101) 4.563 13.209 ( 4.244 -0.000 -4.908) 6.489======================= Grid point 612 (291/355) =======================q-point: ( 0.17 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -0.207 -1.392 -0.822) 1.630 2.080 ( -4.647 -2.198 -9.181) 10.523 2.360 ( -5.170 -0.389 -7.479) 9.100 2.557 ( 7.520 1.505 12.054) 14.287 2.693 ( 6.956 -0.552 7.564) 10.290 2.797 ( 12.197 -0.124 -13.070) 17.878 3.102 ( 5.035 -2.706 10.111) 11.615 3.379 ( -2.002 -0.229 7.749) 8.006 3.880 ( 7.289 1.389 0.415) 7.432 4.130 ( 6.153 2.918 -1.248) 6.923 4.415 ( 11.946 -0.635 -0.242) 11.966 4.730 ( 15.119 0.606 -1.958) 15.257 4.926 ( 9.881 1.821 -9.160) 13.597 4.964 ( -7.729 -2.014 -1.804) 8.188 5.266 ( 1.237 0.356 -12.966) 13.029 5.462 ( -9.422 0.215 12.090) 15.329 5.574 ( -5.566 -2.159 -7.855) 9.866 6.185 ( -9.867 -0.604 -4.676) 10.935 6.192 ( -1.661 0.705 0.289) 1.827 6.649 ( 0.479 -1.662 9.535) 9.690 7.002 ( 9.134 0.371 8.404) 12.417 7.136 ( 7.668 -1.153 8.788) 11.720 7.421 ( -8.067 1.639 -2.736) 8.675 7.538 ( 10.339 0.805 9.030) 13.751 7.561 ( 8.243 -0.626 5.031) 9.678 8.032 ( -2.401 -0.687 -5.300) 5.859 8.412 ( -1.044 0.693 2.680) 2.958 8.436 ( 1.463 3.049 4.481) 5.613 8.640 ( -4.085 3.700 -9.715) 11.169 8.876 ( -9.494 0.768 2.409) 9.825 8.981 ( 3.668 -2.260 7.006) 8.225 9.015 ( 5.598 0.814 -8.066) 9.852 9.398 ( -0.699 -0.248 10.470) 10.496 9.662 ( -1.152 -1.234 0.169) 1.696 9.888 ( -4.806 0.317 -5.683) 7.450 10.087 ( -3.761 -1.549 -7.986) 8.962 10.354 ( -1.816 0.919 5.128) 5.517 11.175 ( -13.890 -1.131 -13.145) 19.157 11.577 ( 4.752 0.722 0.391) 4.823 12.284 ( -3.103 -1.352 1.077) 3.552 13.190 ( 2.860 0.175 3.936) 4.869 13.286 ( 3.889 -0.406 -4.764) 6.163======================= Grid point 613 (292/355) =======================q-point: ( 0.25 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.661 ( 3.823 -3.588 -2.662) 5.879 2.027 ( -1.973 -4.050 -6.857) 8.204 2.275 ( -3.081 -0.630 -8.020) 8.614 2.688 ( 5.687 2.604 10.177) 11.945 2.845 ( 6.626 -0.603 12.508) 14.168 3.002 ( 9.814 3.766 -7.919) 13.160 3.215 ( 2.875 -6.349 5.641) 8.966 3.286 ( -3.922 -1.569 -0.321) 4.237 4.045 ( 8.233 3.541 7.498) 11.685 4.148 ( 1.343 5.500 -6.385) 8.533 4.628 ( 10.559 0.041 -5.067) 11.711 4.676 ( -14.329 -2.604 -4.154) 15.144 5.000 ( 8.266 3.172 -3.656) 9.579 5.105 ( 6.182 -1.126 -1.984) 6.590 5.354 ( 3.922 0.580 -6.982) 8.029 5.399 ( 3.268 -1.765 11.172) 11.773 5.489 ( -2.353 -2.128 -6.776) 7.482 5.908 ( -14.829 -1.154 -8.928) 17.348 6.222 ( 1.921 1.764 2.836) 3.853 6.649 ( -3.940 -3.021 13.130) 14.037 7.166 ( 7.590 0.556 6.252) 9.849 7.283 ( -3.161 2.463 -7.098) 8.150 7.315 ( 8.177 -2.448 9.908) 13.078 7.694 ( 7.158 2.229 7.837) 10.845 7.752 ( 9.228 -1.216 4.743) 10.447 7.964 ( -4.725 -1.064 -2.349) 5.382 8.370 ( -2.922 0.752 2.478) 3.904 8.444 ( 0.541 3.279 6.062) 6.913 8.512 ( -5.617 4.812 -10.622) 12.943 8.726 ( -6.202 -0.262 3.550) 7.151 9.046 ( -1.343 2.858 -6.967) 7.649 9.073 ( 5.258 2.438 4.606) 7.403 9.375 ( -1.045 -4.839 3.169) 5.878 9.682 ( 1.003 -2.528 -3.272) 4.255 9.900 ( 4.643 0.365 0.177) 4.660 10.001 ( -4.693 -0.993 -4.571) 6.626 10.321 ( -1.372 1.234 5.807) 6.093 10.892 ( -14.151 -3.204 -13.843) 20.053 11.693 ( 7.044 2.149 1.304) 7.479 12.207 ( -5.745 -1.872 -1.151) 6.151 13.237 ( 1.808 0.198 4.880) 5.208 13.344 ( 2.496 -0.384 -4.955) 5.561======================= Grid point 614 (293/355) =======================q-point: ( 0.33 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( 5.683 -4.067 -2.917) 7.572 2.012 ( -1.135 -0.567 -2.226) 2.562 2.250 ( 0.536 -2.160 -7.153) 7.491 2.738 ( -0.200 1.748 8.138) 8.326 2.948 ( 3.718 1.649 10.715) 11.461 3.070 ( 0.685 2.107 -0.019) 2.216 3.243 ( 2.905 -1.446 -2.107) 3.869 3.379 ( 5.133 -5.624 -5.992) 9.689 4.027 ( -2.721 8.199 -1.723) 8.808 4.224 ( -0.066 -3.408 3.003) 4.543 4.499 ( 1.193 2.832 1.328) 3.348 4.815 ( 9.650 1.169 -7.852) 12.496 5.026 ( -4.052 0.257 5.679) 6.981 5.129 ( -5.343 -3.226 -4.376) 7.622 5.374 ( 2.109 -0.727 -3.110) 3.828 5.508 ( 3.878 -0.418 1.143) 4.064 5.559 ( 7.176 2.011 -4.959) 8.951 5.660 ( -10.302 -2.450 -5.520) 11.941 6.261 ( 3.311 1.954 3.590) 5.259 6.536 ( -9.724 -2.633 9.499) 13.846 7.283 ( 4.544 1.283 2.436) 5.313 7.301 ( 6.229 0.908 -2.888) 6.926 7.457 ( 4.020 -2.780 6.752) 8.335 7.791 ( 2.258 1.254 6.938) 7.403 7.853 ( -4.318 -0.824 -1.379) 4.608 7.928 ( 6.099 -0.371 4.253) 7.445 8.296 ( -4.436 1.891 -0.033) 4.822 8.367 ( -4.805 2.290 -7.967) 9.581 8.470 ( 2.011 1.123 6.076) 6.498 8.648 ( -2.224 1.379 6.087) 6.626 8.945 ( -6.251 0.116 -9.531) 11.399 9.182 ( 7.928 5.191 7.508) 12.090 9.431 ( 3.413 -3.063 1.274) 4.759 9.651 ( -6.251 -3.974 -12.086) 14.176 9.958 ( 1.050 0.935 1.271) 1.895 9.992 ( 3.574 -0.154 0.655) 3.636 10.312 ( 1.162 2.067 7.968) 8.313 10.672 ( -9.972 -5.173 -12.914) 17.116 11.813 ( 6.874 2.789 1.836) 7.642 12.093 ( -6.946 -1.959 -2.716) 7.711 13.265 ( 0.835 0.283 5.544) 5.614 13.375 ( 1.097 -0.353 -5.262) 5.387======================= Grid point 615 (294/355) =======================q-point: (-0.58 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 5.357 -0.967 -2.725) 6.088 1.983 ( 0.023 5.330 1.392) 5.509 2.273 ( 0.024 -0.624 -3.046) 3.109 2.722 ( 0.103 -0.569 4.604) 4.640 3.002 ( 1.299 0.867 3.329) 3.677 3.078 ( 2.181 1.948 -1.114) 3.130 3.275 ( -1.577 -2.457 -1.875) 3.470 3.449 ( -0.603 -5.708 -7.026) 9.072 3.912 ( -6.312 2.263 3.117) 7.395 4.215 ( 3.670 -0.221 -2.718) 4.572 4.636 ( 6.210 3.636 10.135) 12.430 4.822 ( -13.060 0.453 -4.091) 13.693 4.965 ( 4.291 1.001 0.712) 4.464 5.062 ( 0.983 -2.682 -5.368) 6.081 5.411 ( -0.255 -0.563 -1.174) 1.327 5.482 ( -5.951 -3.209 0.337) 6.770 5.575 ( 0.475 2.452 1.869) 3.119 5.676 ( 5.634 2.466 -6.657) 9.063 6.317 ( -2.007 -0.301 3.944) 4.436 6.418 ( 1.567 -2.432 3.679) 4.680 7.333 ( 0.330 1.944 2.977) 3.571 7.420 ( 4.418 0.527 -0.331) 4.462 7.507 ( 1.100 0.656 -1.204) 1.758 7.749 ( -3.958 -7.973 2.086) 9.142 7.811 ( -1.167 3.956 9.361) 10.230 8.054 ( 5.992 1.347 -3.282) 6.964 8.187 ( -5.695 -1.078 -2.494) 6.310 8.292 ( -2.101 1.104 -2.803) 3.673 8.528 ( 3.247 -0.404 6.284) 7.084 8.641 ( 1.679 1.711 8.349) 8.686 8.815 ( -7.148 -2.822 -10.601) 13.093 9.315 ( 5.916 3.360 6.061) 9.111 9.470 ( -3.627 -0.845 -6.622) 7.597 9.549 ( 1.408 1.817 -1.971) 3.028 9.976 ( -0.278 0.580 -0.367) 0.740 10.030 ( 0.616 -0.872 0.237) 1.094 10.359 ( 3.458 3.072 6.558) 8.025 10.555 ( -3.645 -5.858 -9.214) 11.511 11.914 ( 1.861 1.781 0.058) 2.577 11.984 ( -1.923 -0.976 -1.190) 2.463 13.277 ( 0.076 0.355 5.747) 5.758 13.383 ( 0.095 -0.302 -5.506) 5.515======================= Grid point 616 (295/355) =======================q-point: (-0.50 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( -0.216 10.451 1.600) 10.574 2.027 ( 5.074 3.242 -0.643) 6.056 2.221 ( -3.221 5.059 1.718) 6.239 2.777 ( 3.291 -2.075 -0.492) 3.921 2.953 ( -6.689 -1.861 3.194) 7.643 3.150 ( 5.184 0.105 -4.683) 6.987 3.220 ( -3.986 -2.125 -6.659) 8.046 3.417 ( -4.080 -6.682 -2.366) 8.179 3.815 ( -4.032 -1.769 4.971) 6.640 4.372 ( 11.707 2.832 -0.309) 12.049 4.523 ( -14.855 -0.480 -5.603) 15.883 4.594 ( -8.338 -1.236 7.598) 11.348 5.016 ( -1.684 -0.427 2.735) 3.240 5.200 ( 7.176 0.021 -6.020) 9.366 5.346 ( -4.693 1.565 2.721) 5.646 5.412 ( -1.267 0.485 5.753) 5.911 5.562 ( 1.161 2.772 2.161) 3.702 5.747 ( 3.784 2.740 -6.728) 8.192 6.228 ( -4.829 -2.128 2.598) 5.882 6.617 ( 13.752 -3.660 0.515) 14.240 7.257 ( -7.129 3.045 1.116) 7.832 7.386 ( -3.669 3.096 -4.588) 6.641 7.540 ( 1.451 0.433 0.064) 1.516 7.748 ( -3.764 -3.533 7.665) 9.242 7.835 ( 4.656 -4.274 5.648) 8.476 8.010 ( -5.628 5.147 -8.696) 11.566 8.171 ( -2.363 -7.958 0.291) 8.307 8.293 ( 4.795 2.342 -0.271) 5.343 8.595 ( 3.090 -1.168 3.319) 4.683 8.668 ( -4.246 -1.501 -7.291) 8.570 8.722 ( 0.865 -3.764 5.892) 7.045 9.250 ( -8.666 -5.313 -11.780) 15.559 9.495 ( 5.080 7.387 9.733) 13.233 9.614 ( 6.658 8.163 3.664) 11.153 9.937 ( -3.412 -1.907 -1.366) 4.141 10.026 ( -1.586 -0.223 -1.251) 2.033 10.375 ( -1.190 -2.205 -3.563) 4.356 10.617 ( 8.861 1.367 1.316) 9.061 11.821 ( -6.754 -1.516 -4.374) 8.188 12.077 ( 7.198 1.854 3.291) 8.128 13.274 ( -0.846 0.255 5.549) 5.619 13.372 ( -0.783 -0.078 -5.643) 5.697======================= Grid point 617 (296/355) =======================q-point: (-0.42 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( -2.888 14.516 1.509) 14.877 2.020 ( -2.326 7.415 6.757) 10.298 2.215 ( 5.513 4.158 0.165) 6.907 2.764 ( -8.069 -0.063 4.358) 9.171 2.824 ( -6.005 -3.425 -5.013) 8.540 3.105 ( -5.428 -1.670 -11.702) 13.008 3.306 ( 7.930 -3.540 -1.004) 8.742 3.393 ( -0.559 1.717 -0.736) 1.950 3.770 ( -4.013 -8.611 7.926) 12.372 4.211 ( -16.227 -1.395 -8.950) 18.584 4.446 ( -4.985 -2.408 6.273) 8.367 4.662 ( 14.870 2.038 3.075) 15.321 4.919 ( -9.039 -1.859 1.191) 9.304 5.068 ( -15.286 -2.174 -0.992) 15.472 5.264 ( -4.645 3.762 3.851) 7.110 5.430 ( 1.558 5.339 7.977) 9.725 5.711 ( 9.970 3.868 -9.451) 14.271 5.801 ( 8.321 1.477 4.186) 9.431 6.186 ( -1.039 -2.055 1.324) 2.656 6.913 ( 13.445 -2.445 -5.284) 14.652 7.088 ( -7.058 1.608 2.803) 7.762 7.294 ( -3.930 2.676 -4.462) 6.521 7.520 ( -3.437 2.116 -3.845) 5.575 7.690 ( -4.913 -2.924 5.607) 8.008 7.795 ( -9.542 -0.987 -3.185) 10.108 7.976 ( 1.993 0.779 0.345) 2.168 8.167 ( -0.681 -8.322 5.117) 9.793 8.383 ( 2.928 -1.699 -3.024) 4.539 8.560 ( -6.766 -7.223 -10.509) 14.436 8.684 ( 5.963 -0.715 2.169) 6.385 8.806 ( 3.535 -2.486 8.758) 9.766 9.150 ( -2.537 -4.122 -8.535) 9.812 9.517 ( 1.772 8.879 5.862) 10.786 9.696 ( 4.652 7.548 5.590) 10.481 9.889 ( -2.278 -1.650 1.814) 3.347 9.975 ( -3.243 -0.936 -3.057) 4.554 10.366 ( -0.754 -4.270 -5.087) 6.684 10.838 ( 15.914 6.986 3.908) 17.813 11.697 ( -6.791 -1.744 -4.645) 8.410 12.207 ( 6.950 1.692 3.354) 7.900 13.249 ( -2.262 -0.023 5.192) 5.663 13.342 ( -1.793 0.375 -5.804) 6.086======================= Grid point 618 (297/355) =======================q-point: (-0.33 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.670 ( -4.372 11.603 5.753) 13.669 1.976 ( 1.505 7.305 10.852) 13.168 2.305 ( 5.172 4.320 -0.781) 6.784 2.576 ( -10.055 2.425 10.538) 14.766 2.706 ( -8.003 -5.773 -10.789) 14.622 2.993 ( -5.144 4.174 -10.360) 12.297 3.327 ( -3.645 2.803 -5.139) 6.895 3.467 ( 4.746 -0.715 -0.091) 4.800 3.777 ( -3.540 -12.290 10.198) 16.358 3.900 ( -15.534 -3.761 -4.704) 16.661 4.399 ( -2.839 -0.672 2.679) 3.961 4.688 ( -16.095 -2.934 -1.445) 16.424 4.785 ( -12.035 -1.601 0.716) 12.162 4.951 ( 15.353 3.229 7.372) 17.335 5.128 ( -7.752 4.259 3.118) 9.379 5.479 ( 5.797 3.648 7.744) 10.338 5.735 ( 1.059 2.948 -8.359) 8.927 6.089 ( 16.442 2.542 5.153) 17.417 6.202 ( 1.469 -1.521 -2.314) 3.134 6.888 ( -5.457 5.718 -5.770) 9.786 7.121 ( -4.100 -1.354 -2.833) 5.164 7.299 ( 8.557 -1.846 -0.732) 8.784 7.374 ( -7.785 1.793 -10.082) 12.863 7.572 ( -9.091 -2.466 0.177) 9.422 7.642 ( -6.837 -0.408 0.410) 6.861 7.962 ( -2.100 2.282 3.872) 4.961 8.244 ( 0.965 -13.978 6.493) 15.443 8.387 ( -4.470 -8.460 -4.981) 10.787 8.499 ( -0.898 -1.759 -3.671) 4.169 8.814 ( 5.298 0.072 3.997) 6.637 8.886 ( 3.407 -3.062 2.292) 5.122 9.165 ( 2.458 0.730 -5.741) 6.287 9.523 ( 2.962 3.413 0.037) 4.519 9.721 ( 1.592 4.264 3.276) 5.608 9.838 ( -3.454 -0.300 -1.283) 3.697 9.969 ( 2.567 0.015 6.893) 7.355 10.381 ( -0.044 -5.343 -4.664) 7.092 11.126 ( 17.730 10.924 4.176) 21.240 11.578 ( -5.768 -1.663 -3.676) 7.039 12.319 ( 5.284 1.722 2.258) 5.999 13.197 ( -3.812 -0.311 4.962) 6.265 13.291 ( -2.622 1.008 -6.213) 6.819======================= Grid point 619 (298/355) =======================q-point: (-0.25 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 1.225 4.911 12.839) 13.801 2.028 ( 6.624 5.582 12.791) 15.448 2.322 ( -3.564 1.244 -0.917) 3.885 2.428 ( -2.069 5.491 11.421) 12.840 2.601 ( -4.754 -5.456 -6.128) 9.483 2.841 ( -6.923 6.067 -11.701) 14.888 3.222 ( -5.965 -0.299 -12.990) 14.297 3.439 ( -8.052 0.721 1.063) 8.154 3.533 ( -17.629 -0.331 5.821) 18.569 3.887 ( -0.479 -10.614 5.698) 12.056 4.213 ( -13.943 1.980 -1.211) 14.135 4.512 ( -4.055 -2.931 -1.262) 5.160 4.652 ( -1.915 0.958 -0.545) 2.209 4.946 ( -9.181 3.136 3.201) 10.217 5.221 ( 14.405 4.956 10.552) 18.531 5.614 ( 8.716 1.135 3.672) 9.526 5.763 ( 3.341 0.017 -1.959) 3.873 6.234 ( 1.744 -1.030 -5.341) 5.713 6.354 ( 12.129 3.309 2.617) 12.842 6.775 ( -3.184 4.328 -4.706) 7.142 6.979 ( -8.664 0.512 -6.517) 10.854 7.171 ( -7.424 1.681 -8.510) 11.418 7.382 ( -9.314 -2.354 1.406) 9.709 7.489 ( -9.476 -0.023 -5.271) 10.843 7.565 ( 10.073 -3.548 -0.898) 10.717 7.899 ( -4.046 0.746 9.119) 10.004 8.306 ( -3.401 -13.191 -3.459) 14.054 8.355 ( -2.348 -9.380 3.711) 10.357 8.538 ( 4.534 -0.659 3.561) 5.802 8.834 ( -1.881 2.010 2.946) 4.032 8.949 ( -0.972 -3.488 -4.465) 5.748 9.217 ( 6.472 8.101 -1.095) 10.426 9.570 ( 0.367 -3.362 -10.315) 10.856 9.721 ( 0.759 0.518 1.695) 1.928 9.851 ( 3.778 -4.446 4.633) 7.450 10.062 ( 7.476 4.214 9.992) 13.171 10.411 ( 0.597 -7.019 -3.486) 7.860 11.275 ( -0.920 7.181 -3.785) 8.169 11.590 ( 10.992 4.258 5.729) 13.106 12.382 ( 2.024 2.000 -0.145) 2.849 13.123 ( -4.410 -0.486 4.945) 6.644 13.226 ( -2.659 1.781 -6.930) 7.633======================= Grid point 620 (299/355) =======================q-point: (-0.17 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 7.577 0.843 16.968) 18.602 2.170 ( -0.008 2.538 15.279) 15.488 2.223 ( 3.855 -0.316 2.152) 4.426 2.448 ( 3.991 1.790 5.730) 7.209 2.576 ( 0.366 -2.062 -0.834) 2.254 2.670 ( -6.686 2.877 -10.790) 13.015 3.070 ( -9.473 -2.869 -14.168) 17.283 3.188 ( -14.907 1.290 -10.698) 18.394 3.257 ( -11.702 3.929 22.490) 25.655 3.754 ( -12.679 0.370 -10.972) 16.771 4.142 ( 4.558 -1.492 5.744) 7.483 4.459 ( -3.026 0.326 -5.885) 6.625 4.655 ( 1.686 2.264 1.837) 3.368 4.785 ( -5.960 1.259 2.145) 6.459 5.475 ( 13.793 3.148 12.752) 19.046 5.782 ( 8.384 -0.304 1.318) 8.492 5.830 ( 2.630 -0.747 1.962) 3.365 6.253 ( -0.873 -1.309 -9.321) 9.453 6.513 ( 6.288 3.193 1.196) 7.153 6.708 ( -1.853 3.304 -4.742) 6.069 6.821 ( -5.330 0.696 -3.964) 6.679 7.061 ( -4.319 0.638 -4.468) 6.247 7.219 ( -8.443 -2.921 0.762) 8.967 7.288 ( -9.583 -0.001 -6.217) 11.423 7.756 ( 7.789 -2.837 -1.289) 8.390 7.828 ( -3.832 -0.490 10.839) 11.507 8.299 ( -1.857 -6.924 0.824) 7.216 8.360 ( -1.841 -6.455 -0.311) 6.720 8.653 ( 3.533 -4.950 3.832) 7.188 8.775 ( -2.306 1.224 0.853) 2.746 8.900 ( -2.056 0.396 -1.929) 2.846 9.247 ( -1.277 7.644 -3.226) 8.395 9.612 ( 5.712 -3.657 -9.771) 11.894 9.727 ( -2.768 -2.314 5.596) 6.659 9.988 ( 6.864 -4.885 3.146) 8.993 10.179 ( 4.018 3.248 3.713) 6.362 10.511 ( 7.475 -7.521 1.519) 10.713 11.110 ( -10.482 4.227 -6.557) 13.066 11.841 ( 15.219 7.039 9.380) 19.213 12.362 ( -2.986 2.369 -3.565) 5.219 13.057 ( -3.048 -0.664 4.710) 5.649 13.167 ( -1.611 2.539 -7.423) 8.009======================= Grid point 621 (300/355) =======================q-point: (-0.08 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.868 ( 9.402 0.781 18.132) 20.439 2.013 ( -10.658 0.658 4.547) 11.606 2.420 ( 5.457 -4.914 5.551) 9.206 2.530 ( 3.642 3.868 1.221) 5.452 2.598 ( 1.421 -3.186 -4.774) 5.913 2.649 ( 6.220 -0.942 2.646) 6.824 2.899 ( -10.431 -0.720 -8.201) 13.288 2.928 ( -5.890 0.825 -11.110) 12.602 3.130 ( 1.619 6.769 25.788) 26.711 3.581 ( -1.003 3.085 -19.565) 19.832 4.250 ( 4.296 0.103 6.529) 7.817 4.361 ( -6.075 0.274 -4.506) 7.569 4.696 ( 4.161 1.118 1.151) 4.459 4.726 ( -0.328 0.560 -2.132) 2.229 5.714 ( 9.790 -0.022 10.067) 14.043 5.825 ( -2.246 -0.823 -0.846) 2.537 5.958 ( 9.038 0.493 3.853) 9.837 6.123 ( -12.353 0.016 -13.767) 18.497 6.585 ( 2.729 1.978 1.637) 3.747 6.628 ( -5.516 2.663 -2.934) 6.791 6.830 ( 6.387 -0.014 3.634) 7.348 6.910 ( -9.238 0.046 -4.379) 10.223 7.126 ( -4.508 -1.309 3.728) 5.995 7.203 ( 2.064 -1.049 -4.385) 4.958 7.760 ( -4.020 -1.062 10.784) 11.557 7.910 ( 6.682 -1.479 -4.576) 8.232 8.302 ( -0.834 -2.767 4.313) 5.192 8.370 ( 0.363 -4.240 -2.861) 5.128 8.681 ( -0.597 -3.222 2.248) 3.973 8.745 ( -1.702 -3.025 -3.658) 5.042 8.961 ( 8.053 2.450 8.225) 11.769 9.114 ( -7.399 4.246 -7.484) 11.349 9.633 ( -8.823 -1.981 6.657) 11.228 9.758 ( 6.680 -1.573 -5.358) 8.706 10.134 ( 5.731 -2.033 1.736) 6.324 10.174 ( -2.635 -1.332 -2.432) 3.825 10.736 ( 5.996 -6.431 5.825) 10.547 10.873 ( -6.351 5.438 -8.110) 11.648 12.074 ( 11.122 4.415 9.108) 15.038 12.231 ( -8.955 2.779 -7.125) 11.776 13.034 ( -0.099 -0.845 3.817) 3.910 13.134 ( 0.384 2.569 -6.877) 7.351======================= Grid point 624 (301/355) =======================q-point: ( 0.17 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 3.806 -0.000 -3.813) 5.387 2.006 ( -1.414 0.000 -6.672) 6.821 2.271 ( -3.112 0.000 -8.044) 8.625 2.702 ( 5.302 -0.000 11.017) 12.226 2.840 ( 7.277 -0.000 10.931) 13.132 3.029 ( 10.979 -0.000 -8.871) 14.115 3.174 ( 3.211 -0.000 7.392) 8.060 3.278 ( -5.254 0.000 0.278) 5.261 4.064 ( 9.395 -0.000 8.505) 12.673 4.178 ( -0.385 0.000 -8.094) 8.103 4.628 ( 10.925 -0.000 -4.278) 11.733 4.661 ( -13.780 0.000 -3.844) 14.306 5.020 ( 9.293 -0.000 -4.815) 10.466 5.096 ( 3.331 -0.000 -1.037) 3.489 5.359 ( 4.859 -0.000 -9.534) 10.701 5.388 ( 2.333 -0.000 12.940) 13.149 5.479 ( -0.942 0.000 -6.896) 6.960 5.902 ( -14.969 0.000 -8.915) 17.423 6.232 ( 2.025 -0.000 2.629) 3.318 6.633 ( -3.752 0.000 13.675) 14.180 7.169 ( 7.538 -0.000 5.519) 9.343 7.295 ( -0.952 0.000 -4.442) 4.543 7.303 ( 5.630 -0.000 7.662) 9.508 7.709 ( 7.120 -0.000 6.842) 9.875 7.743 ( 9.365 -0.000 5.892) 11.065 7.959 ( -4.661 0.000 -2.277) 5.188 8.372 ( -3.083 0.000 2.901) 4.234 8.462 ( 0.267 -0.000 5.281) 5.287 8.540 ( -6.878 0.000 -11.035) 13.003 8.724 ( -5.654 0.000 5.201) 7.683 9.062 ( -1.926 0.000 -10.848) 11.017 9.084 ( 6.147 -0.000 8.041) 10.121 9.349 ( -1.121 0.000 2.793) 3.010 9.669 ( 1.008 -0.000 -3.724) 3.858 9.902 ( 4.610 -0.000 -0.060) 4.610 9.996 ( -4.237 0.000 -3.812) 5.699 10.328 ( -1.436 0.000 6.385) 6.545 10.875 ( -14.296 0.000 -14.431) 20.313 11.705 ( 7.079 -0.000 0.966) 7.145 12.197 ( -5.604 0.000 -0.861) 5.670 13.238 ( 1.802 -0.000 4.829) 5.154 13.342 ( 2.553 -0.000 -4.860) 5.490======================= Grid point 625 (302/355) =======================q-point: ( 0.25 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.742 ( 6.551 -1.556 -4.864) 8.306 2.010 ( 1.709 -0.031 -2.083) 2.695 2.233 ( -0.280 -0.903 -7.538) 7.598 2.753 ( -0.829 0.819 9.442) 9.513 2.961 ( 4.449 0.747 10.742) 11.651 3.090 ( -0.631 1.205 0.822) 1.589 3.236 ( 2.487 0.121 2.793) 3.742 3.327 ( 6.446 -3.601 -11.617) 13.765 4.108 ( -3.949 7.170 0.847) 8.229 4.177 ( -2.159 -5.460 -0.819) 5.928 4.522 ( 3.952 1.348 1.568) 4.460 4.824 ( 10.026 0.448 -6.596) 12.009 5.036 ( -6.586 1.508 7.291) 9.940 5.094 ( -3.419 -2.888 -5.935) 7.433 5.368 ( 1.206 -0.284 -3.314) 3.538 5.504 ( 5.047 -0.195 1.045) 5.158 5.577 ( 7.854 1.210 -6.849) 10.491 5.640 ( -10.542 -1.147 -4.917) 11.689 6.278 ( 3.148 1.022 3.240) 4.631 6.515 ( -9.700 -1.273 11.483) 15.085 7.293 ( 5.139 0.487 2.194) 5.609 7.310 ( 5.466 0.507 -5.121) 7.507 7.435 ( 4.270 -1.227 8.598) 9.678 7.793 ( -1.876 -0.336 -0.996) 2.151 7.870 ( 0.456 3.284 5.908) 6.775 7.907 ( 4.684 -3.152 5.425) 7.829 8.308 ( -3.836 0.447 2.167) 4.428 8.390 ( -6.380 1.635 -10.446) 12.349 8.478 ( 1.586 0.368 5.105) 5.358 8.660 ( -2.106 0.669 8.163) 8.457 8.939 ( -8.021 -0.663 -10.630) 13.333 9.219 ( 7.568 1.742 9.242) 12.072 9.416 ( 6.470 -0.275 -0.783) 6.523 9.619 ( -6.387 -1.759 -12.781) 14.396 9.967 ( 1.681 0.760 2.832) 3.380 9.987 ( 2.907 -0.545 -0.870) 3.083 10.330 ( 1.805 1.033 9.268) 9.498 10.632 ( -10.582 -2.229 -13.225) 17.083 11.835 ( 6.852 1.123 1.290) 7.062 12.077 ( -6.881 -0.827 -2.565) 7.390 13.267 ( 0.856 0.118 5.534) 5.601 13.372 ( 1.133 -0.137 -5.237) 5.360======================= Grid point 626 (303/355) =======================q-point: ( 0.33 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.881 ( 7.430 -1.016 -4.962) 8.992 2.042 ( 2.744 5.262 1.855) 6.218 2.255 ( 1.678 -2.364 -4.742) 5.558 2.721 ( -1.195 0.185 6.709) 6.817 3.022 ( 1.496 2.843 4.400) 5.448 3.097 ( 2.319 1.197 -1.013) 2.799 3.246 ( -2.413 -2.483 -0.260) 3.472 3.385 ( -2.740 -5.774 -9.484) 11.436 3.939 ( -8.567 2.337 4.541) 9.974 4.211 ( 6.195 -0.379 -3.203) 6.984 4.671 ( 4.498 2.766 8.105) 9.673 4.825 ( -13.451 0.199 -3.339) 13.861 4.976 ( 4.605 1.081 0.714) 4.784 5.036 ( 2.222 -2.193 -5.380) 6.220 5.403 ( 0.569 -0.677 -1.160) 1.458 5.452 ( -5.729 -2.219 0.097) 6.144 5.597 ( 1.148 1.583 0.773) 2.102 5.699 ( 5.756 1.729 -6.854) 9.116 6.322 ( -5.243 1.019 6.010) 8.040 6.391 ( 3.416 -2.549 4.215) 5.994 7.354 ( 1.310 1.935 0.635) 2.421 7.423 ( 3.896 0.011 -0.172) 3.900 7.512 ( 4.434 0.248 2.513) 5.103 7.679 ( -7.388 -5.104 -2.183) 9.241 7.862 ( -0.800 5.847 9.793) 11.434 8.020 ( 3.328 -6.405 2.152) 7.532 8.210 ( -5.674 3.285 -4.758) 8.101 8.305 ( -0.681 1.686 -3.224) 3.701 8.527 ( 2.778 0.064 5.721) 6.360 8.649 ( 0.481 -0.162 9.036) 9.050 8.784 ( -8.043 -2.434 -11.301) 14.083 9.327 ( -0.309 -0.282 0.196) 0.462 9.481 ( -0.160 2.089 -3.314) 3.920 9.569 ( 7.203 1.595 -0.795) 7.420 9.979 ( -2.028 0.109 -2.572) 3.277 10.023 ( 1.439 -0.505 2.050) 2.555 10.394 ( 2.619 3.756 4.685) 6.551 10.494 ( -2.487 -5.729 -5.802) 8.524 11.930 ( -2.939 1.309 -2.227) 3.913 11.974 ( 2.713 -0.856 0.375) 2.870 13.280 ( 0.065 0.236 5.781) 5.786 13.380 ( 0.163 -0.191 -5.559) 5.565======================= Grid point 627 (304/355) =======================q-point: (-0.58 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.986 ( 3.247 4.185 -4.222) 6.773 2.080 ( 5.346 6.890 3.140) 9.269 2.267 ( -0.390 3.757 -0.702) 3.842 2.759 ( 3.904 -1.412 1.191) 4.319 2.952 ( -7.416 1.671 4.492) 8.830 3.151 ( 0.882 -0.065 -3.162) 3.284 3.184 ( -4.505 -4.442 -8.839) 10.870 3.334 ( -1.690 -8.313 -0.420) 8.493 3.814 ( -5.083 0.928 4.665) 6.962 4.396 ( 12.659 1.738 0.800) 12.802 4.522 ( -16.299 0.288 -7.768) 18.058 4.581 ( -9.781 -1.054 7.146) 12.159 5.007 ( -2.940 -1.088 2.722) 4.151 5.199 ( 5.394 -0.169 -6.763) 8.652 5.364 ( -2.420 1.703 4.135) 5.085 5.423 ( 3.863 1.390 5.221) 6.642 5.584 ( -0.318 1.423 1.065) 1.806 5.771 ( 3.547 1.882 -6.696) 7.808 6.210 ( -4.797 -1.263 3.728) 6.205 6.582 ( 12.691 -3.006 2.104) 13.211 7.299 ( -5.604 4.850 0.561) 7.433 7.412 ( -3.323 1.829 -5.955) 7.060 7.525 ( -1.920 -3.683 -1.082) 4.292 7.700 ( 2.275 -3.810 5.569) 7.121 7.831 ( 0.811 2.315 9.573) 9.882 8.055 ( -6.667 0.436 -5.163) 8.443 8.092 ( -1.239 -4.334 -1.517) 4.756 8.323 ( 3.785 3.438 -1.460) 5.318 8.565 ( -2.468 -4.448 2.190) 5.538 8.649 ( -3.305 -2.513 -8.136) 9.134 8.702 ( 2.927 0.213 7.961) 8.484 9.200 ( -8.508 -4.052 -12.495) 15.650 9.568 ( 6.568 6.379 11.185) 14.454 9.692 ( 7.265 6.501 2.422) 10.045 9.913 ( -4.461 -2.550 -2.647) 5.780 10.025 ( -1.781 -0.081 -1.055) 2.071 10.351 ( -2.824 -2.180 -6.168) 7.126 10.629 ( 11.715 0.879 5.458) 12.954 11.807 ( -6.898 -1.050 -5.151) 8.673 12.093 ( 7.102 1.273 3.239) 7.909 13.277 ( -0.943 0.233 5.672) 5.755 13.372 ( -0.606 -0.069 -5.783) 5.815======================= Grid point 628 (305/355) =======================q-point: (-0.50 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -1.800 11.269 -3.301) 11.879 2.091 ( -2.647 5.893 5.936) 8.773 2.277 ( 6.686 7.971 -0.039) 10.403 2.764 ( -8.122 0.286 6.863) 10.637 2.797 ( -6.643 -2.077 -7.399) 10.158 3.078 ( -2.244 -3.621 -6.427) 7.711 3.251 ( 5.401 -6.907 -0.524) 8.784 3.401 ( 3.789 0.105 -0.136) 3.792 3.706 ( -7.622 -3.716 7.233) 11.145 4.197 ( -17.253 -1.312 -10.505) 20.242 4.421 ( -5.668 -2.253 5.305) 8.084 4.680 ( 15.625 1.421 3.999) 16.191 4.899 ( -8.974 -1.954 1.867) 9.373 5.048 ( -15.743 -1.539 -1.867) 15.928 5.304 ( -3.886 3.745 3.127) 6.237 5.486 ( 0.907 5.292 7.754) 9.431 5.748 ( 13.115 3.217 -8.685) 16.056 5.811 ( 6.013 0.353 3.248) 6.843 6.169 ( -0.559 -1.005 1.884) 2.207 6.872 ( 14.781 -4.757 0.018) 15.527 7.128 ( -8.167 5.748 -1.832) 10.153 7.320 ( -4.207 2.224 -6.322) 7.913 7.508 ( -3.431 -4.960 -2.647) 6.586 7.686 ( -3.204 2.531 5.505) 6.854 7.790 ( -9.023 0.133 -0.646) 9.047 7.977 ( 1.100 -0.849 0.820) 1.614 8.089 ( -2.060 -6.254 2.697) 7.115 8.357 ( -2.512 -3.842 -5.901) 7.477 8.486 ( -3.763 -5.479 -4.529) 8.043 8.690 ( 5.667 1.113 0.221) 5.780 8.780 ( 3.363 -2.209 7.619) 8.616 9.109 ( -1.365 -3.636 -8.743) 9.567 9.610 ( 1.118 8.813 5.632) 10.518 9.769 ( 3.284 6.341 5.260) 8.869 9.868 ( -0.977 -2.635 3.914) 4.818 9.963 ( -4.127 -1.225 -4.508) 6.233 10.327 ( -0.929 -3.276 -4.647) 5.761 10.901 ( 17.916 5.080 3.785) 19.003 11.680 ( -6.789 -1.504 -5.866) 9.098 12.223 ( 6.817 1.372 3.988) 8.016 13.250 ( -2.403 0.064 5.541) 6.040 13.346 ( -1.483 0.331 -6.131) 6.316======================= Grid point 629 (306/355) =======================q-point: (-0.42 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( -6.724 12.115 2.492) 14.078 2.042 ( 0.611 4.889 5.940) 7.718 2.364 ( 4.780 6.673 -0.671) 8.236 2.583 ( -10.033 -1.783 8.119) 13.029 2.670 ( -6.122 0.118 -4.474) 7.584 3.037 ( -2.584 4.177 -10.276) 11.389 3.358 ( -3.190 2.873 -2.597) 5.018 3.450 ( 5.450 -2.870 1.672) 6.382 3.641 ( -3.391 -12.777 11.336) 17.415 3.866 ( -17.714 -3.141 -8.396) 19.854 4.386 ( -0.636 -1.760 3.157) 3.670 4.666 ( -18.127 -1.246 -1.070) 18.202 4.764 ( -10.629 -2.335 0.595) 10.899 4.984 ( 16.407 2.966 7.554) 18.304 5.173 ( -7.569 4.250 0.995) 8.737 5.517 ( 4.436 3.517 8.320) 10.063 5.762 ( -0.391 2.094 -7.828) 8.112 6.119 ( 17.561 3.224 4.144) 18.329 6.190 ( 1.871 -0.717 -1.846) 2.724 6.953 ( -6.219 6.339 -3.990) 9.736 7.099 ( 0.826 -2.559 -2.290) 3.532 7.280 ( 6.102 -1.352 -3.537) 7.181 7.395 ( -9.371 1.241 -9.337) 13.287 7.547 ( -9.337 -1.711 -1.431) 9.600 7.647 ( -5.873 1.387 2.466) 6.519 7.972 ( -3.343 -1.320 3.580) 5.073 8.112 ( -0.227 -10.343 5.260) 11.606 8.275 ( -7.343 -12.051 -4.191) 14.722 8.493 ( 1.761 0.155 -2.445) 3.017 8.817 ( 6.489 0.425 1.383) 6.648 8.854 ( 2.511 -2.921 3.360) 5.111 9.161 ( 5.190 -1.168 -5.620) 7.739 9.571 ( -0.157 5.326 -0.937) 5.410 9.761 ( -1.001 3.564 4.268) 5.649 9.834 ( -4.322 -0.581 -2.447) 5.001 9.966 ( 4.489 -0.445 10.119) 11.079 10.332 ( -0.420 -4.021 -3.854) 5.585 11.231 ( 19.021 9.184 0.805) 21.138 11.561 ( -5.327 -1.594 -4.246) 6.997 12.336 ( 5.263 1.485 3.636) 6.567 13.195 ( -3.878 -0.097 5.709) 6.902 13.302 ( -2.175 0.995 -6.928) 7.330======================= Grid point 630 (307/355) =======================q-point: (-0.33 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( -1.292 7.304 11.090) 13.342 2.074 ( 4.631 2.887 5.066) 7.446 2.343 ( -4.511 2.464 0.085) 5.141 2.451 ( -5.434 -3.116 7.363) 9.667 2.593 ( -0.151 6.146 4.249) 7.474 2.907 ( -6.995 6.491 -13.455) 16.496 3.220 ( -8.087 -0.084 -10.644) 13.368 3.445 ( -8.089 0.258 1.834) 8.298 3.527 ( -15.360 -0.981 3.008) 15.682 3.765 ( 2.793 -12.663 8.185) 15.334 4.236 ( -14.674 2.477 -0.762) 14.902 4.484 ( -0.706 -2.472 1.109) 2.800 4.659 ( -1.001 0.358 -3.125) 3.301 4.977 ( -10.040 2.672 2.038) 10.587 5.280 ( 15.191 6.165 9.728) 19.064 5.625 ( 7.403 0.953 3.943) 8.442 5.761 ( 1.767 -0.375 -2.419) 3.019 6.224 ( 1.537 -0.872 -4.391) 4.733 6.396 ( 12.974 4.651 1.949) 13.920 6.825 ( -3.731 5.056 -4.258) 7.590 6.988 ( -8.084 1.380 -6.249) 10.311 7.189 ( -8.388 1.895 -8.816) 12.316 7.354 ( -8.577 -3.125 1.310) 9.222 7.490 ( -9.128 0.226 -4.600) 10.224 7.527 ( 8.985 -3.383 -1.445) 9.709 7.897 ( -5.376 -1.604 8.699) 10.351 8.162 ( -1.795 -13.692 -3.603) 14.271 8.247 ( -1.985 -10.935 7.172) 13.227 8.539 ( 3.785 0.749 0.270) 3.868 8.854 ( -1.395 1.517 2.387) 3.153 8.915 ( 0.455 -2.573 -3.667) 4.503 9.281 ( 8.368 3.997 -2.316) 9.559 9.550 ( -1.828 -0.088 -9.230) 9.410 9.722 ( -1.286 -0.236 2.970) 3.245 9.806 ( 1.491 -4.201 2.822) 5.276 10.101 ( 8.761 3.266 12.861) 15.901 10.343 ( -0.543 -5.941 -2.092) 6.322 11.330 ( -5.290 3.317 -10.776) 12.454 11.653 ( 16.435 7.491 7.208) 19.447 12.402 ( 2.157 1.836 1.743) 3.326 13.120 ( -4.379 -0.070 6.224) 7.611 13.246 ( -2.038 1.904 -8.318) 8.774======================= Grid point 631 (308/355) =======================q-point: (-0.25 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 7.001 3.044 16.986) 18.623 2.192 ( 2.041 1.127 7.721) 8.065 2.219 ( -1.571 -0.429 2.782) 3.224 2.437 ( 1.414 -4.119 7.769) 8.906 2.584 ( 1.282 3.827 2.331) 4.661 2.709 ( -8.186 4.785 -11.350) 14.790 3.040 ( -9.896 -2.744 -13.106) 16.650 3.197 ( -15.060 0.346 -8.603) 17.348 3.308 ( -7.704 5.686 18.283) 20.638 3.753 ( -8.330 -0.751 -5.081) 9.787 4.124 ( 4.204 -1.628 4.294) 6.227 4.471 ( -1.990 2.169 -4.728) 5.570 4.678 ( 2.202 1.915 -0.520) 2.964 4.800 ( -6.388 1.473 1.413) 6.706 5.517 ( 12.313 4.891 11.273) 17.396 5.775 ( 6.627 -1.045 1.230) 6.821 5.822 ( 4.255 -0.852 2.107) 4.824 6.237 ( -1.202 -1.801 -7.858) 8.151 6.556 ( 6.525 5.069 0.907) 8.312 6.747 ( -2.124 3.715 -5.485) 6.957 6.835 ( -4.975 2.205 -2.909) 6.171 7.068 ( -4.393 0.778 -4.630) 6.429 7.187 ( -9.246 -3.275 0.261) 9.812 7.282 ( -10.074 -1.036 -5.856) 11.698 7.725 ( 8.396 -3.185 -1.497) 9.104 7.814 ( -4.928 -2.225 11.063) 12.314 8.206 ( 0.364 -10.698 -2.137) 10.915 8.277 ( -1.594 -9.017 4.396) 10.157 8.619 ( 3.190 -1.619 1.769) 3.991 8.783 ( -4.763 0.460 -1.090) 4.908 8.909 ( 1.023 1.557 0.977) 2.103 9.327 ( -3.306 7.541 -4.552) 9.409 9.566 ( 6.648 -5.083 -9.948) 13.000 9.695 ( -4.134 -3.890 6.501) 8.630 9.939 ( 8.086 -4.479 2.276) 9.520 10.207 ( 0.709 1.938 1.453) 2.524 10.436 ( 8.649 -6.435 8.971) 14.025 11.148 ( -10.302 2.738 -11.499) 15.679 11.929 ( 15.401 9.434 8.100) 19.794 12.390 ( -2.569 2.677 -1.562) 4.026 13.053 ( -3.098 -0.078 6.525) 7.223 13.196 ( -0.913 3.010 -9.673) 10.172======================= Grid point 632 (309/355) =======================q-point: (-0.17 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 9.689 2.075 18.562) 21.041 2.022 ( -10.577 1.134 5.274) 11.874 2.376 ( 5.486 -3.733 5.734) 8.770 2.546 ( 2.645 -1.397 -1.667) 3.424 2.557 ( -0.329 -4.551 -3.984) 6.057 2.640 ( 3.576 -0.204 1.740) 3.982 2.893 ( -8.375 -0.221 -6.825) 10.806 2.945 ( -3.684 2.540 -9.694) 10.677 3.223 ( 2.690 10.720 22.559) 25.120 3.622 ( -0.786 4.508 -16.841) 17.452 4.250 ( 5.232 -0.232 6.840) 8.615 4.366 ( -6.709 0.645 -4.590) 8.154 4.713 ( 3.448 2.011 0.125) 3.993 4.735 ( -0.496 1.330 -2.263) 2.671 5.712 ( 7.096 -0.344 8.956) 11.432 5.814 ( -1.142 -1.312 -0.945) 1.980 5.966 ( 8.925 1.033 4.237) 9.933 6.123 ( -10.646 0.039 -12.295) 16.263 6.614 ( 1.642 3.639 1.909) 4.425 6.666 ( -4.753 4.542 -3.553) 7.473 6.830 ( 5.674 0.102 3.783) 6.820 6.911 ( -8.712 0.232 -4.358) 9.744 7.107 ( -3.899 -2.176 3.779) 5.850 7.187 ( 1.527 -2.022 -4.509) 5.172 7.744 ( -4.309 -1.991 10.429) 11.458 7.887 ( 7.026 -2.913 -4.095) 8.639 8.252 ( -1.486 -6.917 3.588) 7.933 8.310 ( 1.504 -7.074 -2.255) 7.575 8.650 ( -0.578 -2.117 2.480) 3.312 8.713 ( -1.640 -2.725 -3.468) 4.705 8.992 ( 7.914 3.227 8.818) 12.280 9.162 ( -8.440 4.546 -8.547) 12.843 9.604 ( -8.409 -3.572 6.681) 11.318 9.734 ( 7.325 -2.910 -6.003) 9.908 10.107 ( 6.612 -2.980 1.715) 7.453 10.153 ( -4.803 -2.756 -3.409) 6.503 10.678 ( 8.716 -4.648 12.084) 15.608 10.920 ( -8.223 3.527 -12.873) 15.677 12.135 ( 9.429 7.119 8.210) 14.387 12.269 ( -7.358 4.359 -5.650) 10.250 13.026 ( -0.239 -0.441 5.750) 5.772 13.167 ( 0.688 3.691 -9.502) 10.216======================= Grid point 633 (310/355) =======================q-point: (-0.08 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.811 ( -9.724 0.467 5.168) 11.022 2.074 ( 8.617 3.089 15.505) 18.006 2.445 ( 0.643 -5.667 -4.052) 6.997 2.489 ( -4.023 -2.456 -5.144) 6.977 2.575 ( -3.973 -1.051 -1.544) 4.390 2.719 ( 0.674 5.406 -13.147) 14.231 2.834 ( 5.997 0.198 7.240) 9.403 3.014 ( 10.927 2.488 5.091) 12.309 3.420 ( 19.892 5.050 20.590) 29.071 3.682 ( 9.713 2.969 -17.326) 20.084 4.249 ( -3.790 -1.518 -4.336) 5.955 4.315 ( 1.925 1.345 8.056) 8.391 4.736 ( 1.157 -0.268 -5.957) 6.074 4.814 ( 7.606 0.391 -0.717) 7.650 5.703 ( -8.243 -3.578 -5.810) 10.701 5.802 ( -5.374 -0.692 -0.817) 5.480 5.874 ( -8.778 3.888 -8.117) 12.572 6.111 ( 4.050 0.598 5.679) 7.001 6.514 ( -4.700 2.780 1.841) 5.762 6.625 ( 0.286 2.407 3.483) 4.244 6.791 ( -2.796 1.305 -1.187) 3.306 6.994 ( 5.334 0.870 3.216) 6.289 7.094 ( 5.229 -1.680 8.793) 10.367 7.281 ( 6.095 -1.628 -1.289) 6.439 7.674 ( -5.320 -2.092 7.070) 9.092 8.014 ( 5.336 -0.569 -7.412) 9.151 8.268 ( -0.105 -8.824 3.027) 9.329 8.365 ( 1.162 -3.155 -0.257) 3.372 8.677 ( 1.800 -5.151 2.232) 5.896 8.754 ( 4.372 -1.526 -0.302) 4.641 8.975 ( -7.569 3.163 -7.622) 11.198 9.145 ( 8.067 3.827 8.077) 12.040 9.429 ( -11.571 -1.918 7.313) 13.822 9.805 ( -1.208 -0.869 -2.052) 2.535 10.083 ( -3.401 -6.042 -6.781) 9.698 10.215 ( 2.982 0.072 -0.636) 3.050 10.569 ( -12.799 2.988 -2.257) 13.336 11.026 ( 12.147 -3.360 0.883) 12.634 12.005 ( -14.400 3.822 -7.134) 16.519 12.278 ( 5.597 5.762 4.830) 9.373 13.057 ( 2.490 -0.770 4.273) 5.005 13.172 ( 2.551 3.047 -7.515) 8.501======================= Grid point 637 (311/355) =======================q-point: ( 0.25 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.876 ( 8.083 -0.000 -5.626) 9.848 2.074 ( 4.247 -0.000 2.204) 4.785 2.239 ( 1.872 -0.000 -5.677) 5.977 2.723 ( -1.681 0.000 7.483) 7.670 3.044 ( 2.637 -0.000 7.251) 7.716 3.100 ( 1.530 -0.000 -4.030) 4.311 3.234 ( -2.552 0.000 2.702) 3.717 3.350 ( -3.941 0.000 -12.170) 12.792 3.952 ( -9.485 0.000 5.117) 10.777 4.209 ( 7.244 -0.000 -3.470) 8.033 4.687 ( 3.751 -0.000 7.231) 8.146 4.826 ( -13.565 0.000 -2.803) 13.851 4.984 ( 4.703 -0.000 1.348) 4.893 5.023 ( 2.773 -0.000 -6.138) 6.735 5.399 ( 1.085 -0.000 -1.118) 1.558 5.440 ( -5.700 0.000 -0.057) 5.700 5.605 ( 1.309 -0.000 0.328) 1.350 5.708 ( 5.748 -0.000 -6.878) 8.964 6.331 ( -9.229 0.000 7.411) 11.836 6.374 ( 6.892 -0.000 3.797) 7.868 7.366 ( 2.180 -0.000 -1.399) 2.590 7.422 ( 3.003 -0.000 0.923) 3.142 7.513 ( 6.652 -0.000 5.612) 8.704 7.651 ( -9.394 0.000 -5.330) 10.801 7.913 ( -0.832 0.000 15.068) 15.091 7.964 ( 1.985 -0.000 -2.460) 3.161 8.227 ( -5.185 0.000 -2.489) 5.752 8.319 ( 0.146 -0.000 -5.104) 5.106 8.527 ( 2.460 -0.000 5.486) 6.013 8.646 ( -0.830 0.000 8.451) 8.491 8.772 ( -7.550 0.000 -10.499) 12.931 9.324 ( -2.454 0.000 -2.339) 3.390 9.495 ( 0.681 -0.000 -1.443) 1.596 9.577 ( 9.573 -0.000 -0.663) 9.596 9.979 ( -2.984 0.000 -3.809) 4.839 10.020 ( 2.028 -0.000 3.102) 3.705 10.433 ( 7.585 -0.000 10.529) 12.976 10.444 ( -7.384 0.000 -11.109) 13.340 11.938 ( -7.201 0.000 -4.087) 8.280 11.969 ( 6.917 -0.000 1.973) 7.193 13.282 ( 0.060 -0.000 5.806) 5.806 13.379 ( 0.190 -0.000 -5.591) 5.594======================= Grid point 638 (312/355) =======================q-point: (-0.67 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 5.590 0.818 -6.465) 8.586 2.140 ( 3.155 3.528 4.350) 6.429 2.295 ( 4.367 1.485 -2.825) 5.409 2.748 ( 3.913 -0.627 2.845) 4.879 2.978 ( -9.170 2.370 7.460) 12.056 3.136 ( 1.002 -3.063 -8.047) 8.668 3.153 ( -11.706 -0.359 -5.453) 12.919 3.268 ( 4.459 -3.606 -0.638) 5.770 3.824 ( -5.659 0.618 4.615) 7.329 4.408 ( 13.215 0.578 1.255) 13.287 4.526 ( -16.791 0.268 -8.614) 18.873 4.573 ( -11.034 -0.453 6.762) 12.949 4.998 ( -3.686 -0.530 2.735) 4.620 5.197 ( 4.143 -0.164 -7.142) 8.258 5.378 ( -1.518 0.841 5.391) 5.664 5.435 ( 8.487 0.699 4.088) 9.446 5.593 ( -1.883 0.396 0.619) 2.022 5.784 ( 3.138 0.611 -6.718) 7.440 6.202 ( -4.711 -0.372 4.583) 6.583 6.559 ( 11.987 -1.179 2.850) 12.377 7.352 ( -3.326 4.692 -1.737) 6.008 7.421 ( -2.146 -0.264 -1.122) 2.436 7.476 ( -7.415 -4.246 -4.325) 9.577 7.679 ( 7.172 -0.620 3.619) 8.058 7.864 ( -3.128 3.003 13.976) 14.633 8.001 ( 0.656 -4.922 -2.151) 5.412 8.104 ( -7.150 1.508 -5.639) 9.230 8.362 ( 4.134 3.194 -2.037) 5.607 8.514 ( -7.590 -4.108 -2.657) 9.030 8.630 ( 1.319 -0.871 0.254) 1.601 8.710 ( 1.429 0.620 4.226) 4.504 9.170 ( -8.391 -1.529 -13.028) 15.571 9.618 ( 7.988 2.739 12.695) 15.247 9.741 ( 7.383 2.541 1.773) 8.007 9.890 ( -5.611 -1.383 -4.058) 7.061 10.024 ( -1.975 -0.015 -0.979) 2.205 10.334 ( -3.468 -0.973 -7.462) 8.286 10.635 ( 13.094 0.299 7.587) 15.136 11.800 ( -7.005 -0.375 -5.585) 8.967 12.102 ( 7.064 0.452 3.194) 7.766 13.278 ( -1.001 0.095 5.770) 5.857 13.371 ( -0.495 -0.028 -5.891) 5.912======================= Grid point 639 (313/355) =======================q-point: (-0.58 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 0.079 5.061 -6.404) 8.163 2.138 ( -3.228 3.107 4.490) 6.344 2.371 ( 6.870 9.034 -2.130) 11.547 2.773 ( -5.049 -0.285 -3.440) 6.116 2.778 ( -11.646 0.074 4.921) 12.643 3.028 ( 2.472 -5.744 4.454) 7.677 3.183 ( 2.622 -5.105 -6.224) 8.466 3.400 ( 6.696 -0.244 -0.576) 6.725 3.686 ( -9.938 -0.560 7.243) 12.310 4.186 ( -18.082 -0.715 -11.591) 21.490 4.401 ( -6.383 -1.430 4.490) 7.934 4.690 ( 15.824 0.665 4.737) 16.531 4.882 ( -8.356 -1.259 2.435) 8.795 5.037 ( -15.858 -0.697 -2.704) 16.102 5.336 ( -3.626 2.235 2.762) 5.076 5.534 ( -0.445 3.724 7.140) 8.065 5.774 ( 17.917 1.638 -5.656) 18.860 5.810 ( 2.555 -0.351 0.394) 2.609 6.164 ( -0.060 -0.135 2.435) 2.439 6.828 ( 14.038 -3.412 2.028) 14.588 7.197 ( -7.530 7.021 -4.342) 11.173 7.338 ( -4.298 1.250 -7.908) 9.087 7.435 ( -3.226 -7.866 0.343) 8.509 7.727 ( -0.807 4.583 3.669) 5.926 7.795 ( -7.695 0.305 3.755) 8.568 7.953 ( -5.595 -3.367 -0.526) 6.551 8.049 ( 1.523 -1.706 0.847) 2.439 8.308 ( -10.328 -4.583 -7.183) 13.389 8.454 ( 1.833 -1.309 -2.195) 3.145 8.699 ( 5.263 0.397 0.634) 5.316 8.764 ( 3.144 -0.829 6.235) 7.031 9.078 ( -0.497 -2.190 -8.945) 9.223 9.696 ( -0.278 7.640 4.019) 8.637 9.819 ( 2.908 1.561 7.852) 8.517 9.836 ( 0.271 -2.050 4.149) 4.636 9.952 ( -4.990 -0.752 -5.536) 7.491 10.300 ( -0.830 -1.921 -4.539) 4.998 10.942 ( 19.302 2.651 3.779) 19.846 11.667 ( -6.802 -0.869 -6.729) 9.607 12.234 ( 6.705 0.756 4.412) 8.062 13.251 ( -2.486 0.073 5.820) 6.329 13.349 ( -1.251 0.193 -6.394) 6.518======================= Grid point 640 (314/355) =======================q-point: (-0.50 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( -7.844 10.550 0.289) 13.150 2.073 ( -0.966 1.123 0.802) 1.685 2.421 ( 0.596 2.961 -2.129) 3.695 2.559 ( -10.826 -1.177 -0.247) 10.892 2.705 ( 0.267 5.765 9.005) 10.695 3.077 ( -0.570 3.473 -9.373) 10.012 3.349 ( 9.404 -7.395 2.342) 12.190 3.426 ( -6.576 1.027 4.257) 7.901 3.540 ( -3.959 -6.101 7.488) 10.439 3.835 ( -18.496 -2.626 -10.972) 21.665 4.365 ( 0.679 -2.059 3.122) 3.801 4.662 ( -19.219 0.411 -0.690) 19.236 4.739 ( -8.918 -2.247 0.781) 9.230 5.010 ( 16.722 2.059 7.199) 18.321 5.211 ( -7.461 2.941 -0.454) 8.033 5.550 ( 3.153 2.744 9.106) 10.020 5.776 ( -1.446 0.628 -7.134) 7.306 6.152 ( 18.906 3.021 2.040) 19.254 6.187 ( 1.901 0.149 -0.457) 1.961 6.999 ( -5.542 1.066 1.948) 5.971 7.091 ( 4.004 2.646 -7.511) 8.914 7.273 ( 2.230 -0.072 -6.004) 6.405 7.382 ( -6.577 -3.929 -4.035) 8.659 7.552 ( -12.050 2.545 -6.957) 14.145 7.672 ( -4.715 3.569 3.493) 6.868 7.914 ( -4.478 -8.790 6.902) 12.040 8.046 ( -3.313 -3.933 -0.604) 5.178 8.161 ( -6.424 -8.600 0.392) 10.742 8.497 ( 2.678 0.562 -2.826) 3.934 8.816 ( 5.832 -1.063 -0.618) 5.960 8.834 ( 3.154 -0.531 4.449) 5.479 9.147 ( 6.469 -1.349 -5.555) 8.633 9.624 ( -1.742 4.580 -2.197) 5.370 9.793 ( -3.271 2.456 5.318) 6.709 9.826 ( -5.688 -0.900 -4.561) 7.346 9.960 ( 6.470 -0.636 14.083) 15.511 10.298 ( -0.469 -2.421 -3.679) 4.429 11.311 ( 19.679 5.946 -2.178) 20.673 11.547 ( -4.578 -1.076 -4.157) 6.277 12.348 ( 5.150 0.936 4.814) 7.111 13.195 ( -3.852 0.067 6.324) 7.405 13.311 ( -1.813 0.722 -7.519) 7.768======================= Grid point 641 (315/355) =======================q-point: (-0.42 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.746 ( -3.182 8.653 8.938) 12.841 2.084 ( 2.311 -1.064 -0.899) 2.698 2.364 ( -5.278 0.475 3.581) 6.396 2.398 ( -6.874 -4.171 1.379) 8.158 2.698 ( 1.647 12.415 12.026) 17.363 2.971 ( -6.835 5.614 -15.408) 17.766 3.219 ( -10.753 -0.385 -6.992) 12.832 3.444 ( -8.345 -0.295 2.787) 8.803 3.512 ( -13.044 -1.935 -0.199) 13.188 3.635 ( 6.692 -11.728 10.107) 16.867 4.262 ( -15.408 2.303 -0.363) 15.583 4.462 ( 3.063 -1.628 2.758) 4.432 4.661 ( -0.292 0.018 -4.546) 4.555 5.000 ( -10.678 1.846 0.716) 10.860 5.342 ( 16.381 5.488 9.375) 19.656 5.633 ( 5.868 0.662 4.748) 7.577 5.754 ( 0.300 -0.860 -3.426) 3.545 6.217 ( 1.073 -0.436 -3.557) 3.741 6.447 ( 13.923 5.070 1.390) 14.882 6.870 ( -5.149 3.132 -3.709) 7.077 7.013 ( -6.454 3.548 -6.679) 9.942 7.209 ( -9.191 1.808 -8.159) 12.422 7.318 ( -7.775 -3.678 0.989) 8.657 7.488 ( 3.836 -1.267 -4.110) 5.763 7.507 ( -5.710 0.284 -3.530) 6.719 7.858 ( -5.727 -5.670 9.909) 12.772 8.027 ( -2.312 -12.607 -5.108) 13.798 8.150 ( -0.550 -6.775 10.455) 12.471 8.551 ( 3.779 1.285 -1.900) 4.421 8.854 ( -1.562 -1.467 0.292) 2.163 8.906 ( 2.443 0.867 -1.173) 2.845 9.300 ( 9.497 -0.056 -4.278) 10.416 9.570 ( -3.949 3.556 -7.128) 8.891 9.717 ( -3.906 -0.771 5.265) 6.601 9.764 ( 0.803 -3.925 -0.145) 4.009 10.127 ( 9.701 1.780 16.215) 18.979 10.292 ( -1.578 -3.795 -2.432) 4.776 11.349 ( -7.116 0.737 -13.916) 15.647 11.733 ( 19.226 7.409 5.974) 21.453 12.418 ( 2.142 1.146 3.677) 4.407 13.122 ( -4.193 0.321 7.287) 8.414 13.264 ( -1.494 1.575 -9.492) 9.737======================= Grid point 642 (316/355) =======================q-point: (-0.33 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 6.320 5.614 15.827) 17.943 2.180 ( 6.589 -3.555 0.358) 7.496 2.221 ( -8.782 0.792 6.606) 11.018 2.382 ( 1.270 -5.414 7.042) 8.973 2.636 ( -4.506 5.442 4.612) 8.438 2.766 ( -8.080 5.875 -11.704) 15.388 3.016 ( -9.214 -1.705 -12.063) 15.275 3.195 ( -14.965 -0.749 -7.253) 16.646 3.369 ( -3.024 5.801 15.012) 16.375 3.738 ( -2.955 -2.215 2.475) 4.446 4.111 ( 2.617 -0.800 1.865) 3.312 4.504 ( -0.667 4.091 -4.192) 5.896 4.690 ( 2.509 0.246 -2.310) 3.419 4.814 ( -6.262 1.274 1.051) 6.477 5.573 ( 10.186 5.788 9.812) 15.282 5.762 ( 4.617 -1.508 1.127) 4.986 5.812 ( 6.693 -1.054 2.054) 7.080 6.218 ( -1.623 -1.804 -6.414) 6.858 6.614 ( 6.582 6.050 0.525) 8.956 6.775 ( -2.929 1.579 -5.751) 6.644 6.873 ( -4.154 5.331 -2.065) 7.067 7.076 ( -4.337 0.613 -4.786) 6.487 7.153 ( -10.046 -3.066 0.242) 10.506 7.267 ( -10.981 -1.927 -6.142) 12.729 7.691 ( 8.614 -3.265 -1.492) 9.332 7.784 ( -5.239 -3.291 10.950) 12.577 8.086 ( 1.892 -12.255 -3.091) 12.779 8.187 ( -1.135 -7.791 6.973) 10.517 8.616 ( 3.233 0.774 -0.528) 3.366 8.784 ( -5.612 -0.318 -1.628) 5.852 8.931 ( 2.645 2.613 2.579) 4.525 9.397 ( -6.507 5.701 -6.108) 10.590 9.512 ( 8.386 -4.967 -9.378) 13.526 9.649 ( -5.376 -4.760 7.475) 10.365 9.898 ( 8.808 -3.254 1.357) 9.487 10.216 ( -3.115 -0.406 -1.898) 3.670 10.385 ( 10.987 -3.168 15.828) 19.526 11.167 ( -9.957 1.185 -14.495) 17.625 12.027 ( 15.188 9.075 6.087) 18.710 12.414 ( -2.158 1.963 0.824) 3.031 13.055 ( -3.034 0.590 8.044) 8.617 13.227 ( -0.213 2.789 -11.678) 12.009======================= Grid point 643 (317/355) =======================q-point: (-0.25 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.912 ( 9.097 3.748 18.405) 20.869 2.036 ( -9.345 1.525 6.606) 11.546 2.341 ( 5.162 -3.332 4.568) 7.656 2.498 ( 5.566 -5.957 11.145) 13.809 2.518 ( -3.417 -3.849 -14.241) 15.142 2.643 ( -2.524 0.391 -3.537) 4.363 2.895 ( -6.554 0.665 -4.486) 7.970 2.977 ( -0.491 3.401 -9.460) 10.065 3.344 ( 3.987 12.156 19.272) 23.131 3.667 ( -0.234 3.922 -12.417) 13.023 4.244 ( 6.640 -0.840 7.209) 9.837 4.375 ( -8.492 1.156 -5.530) 10.200 4.734 ( 3.095 1.990 -0.441) 3.706 4.754 ( -0.596 2.319 -2.590) 3.528 5.706 ( 3.112 -0.842 7.906) 8.538 5.800 ( 0.533 -1.276 -1.041) 1.731 5.980 ( 8.973 1.534 4.374) 10.100 6.123 ( -8.523 -0.106 -10.587) 13.592 6.657 ( -0.519 4.428 2.227) 4.983 6.718 ( -2.672 5.066 -4.026) 7.001 6.834 ( 3.758 0.665 4.025) 5.546 6.916 ( -7.381 0.728 -4.226) 8.536 7.083 ( -3.320 -2.377 3.503) 5.380 7.162 ( 0.999 -2.830 -4.518) 5.424 7.720 ( -4.365 -2.674 9.881) 11.128 7.850 ( 6.746 -4.138 -3.097) 8.498 8.166 ( -2.206 -9.004 3.386) 9.869 8.229 ( 3.580 -8.388 -3.076) 9.625 8.644 ( -0.993 0.984 2.302) 2.693 8.691 ( -1.651 -1.432 -2.355) 3.213 9.022 ( 7.542 2.445 9.077) 12.052 9.203 ( -9.487 3.239 -9.289) 13.667 9.562 ( -7.485 -4.285 6.603) 10.862 9.699 ( 8.008 -3.705 -6.903) 11.203 10.076 ( 7.045 -2.875 1.623) 7.780 10.120 ( -6.401 -3.366 -3.557) 8.060 10.640 ( 10.728 -2.632 15.928) 19.383 10.947 ( -9.621 1.924 -15.771) 18.574 12.213 ( 6.867 7.542 6.960) 12.348 12.315 ( -5.006 4.309 -3.648) 7.545 13.026 ( -0.408 0.292 7.531) 7.547 13.207 ( 1.063 3.878 -12.161) 12.808======================= Grid point 644 (318/355) =======================q-point: (-0.17 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.819 ( -9.074 1.230 6.971) 11.508 2.115 ( 8.781 4.571 13.723) 16.921 2.372 ( -2.968 -7.532 -7.689) 11.165 2.479 ( -0.022 0.004 1.828) 1.828 2.560 ( -2.954 -1.911 -5.817) 6.798 2.743 ( 7.953 -1.021 0.289) 8.024 2.854 ( 5.866 3.745 0.372) 6.970 3.052 ( 8.292 4.713 1.035) 9.594 3.483 ( 15.206 6.714 14.462) 22.032 3.719 ( 8.912 4.075 -13.515) 16.694 4.228 ( -5.185 -2.605 -4.808) 7.536 4.332 ( 2.219 1.851 8.569) 9.043 4.733 ( -0.249 -0.300 -5.441) 5.455 4.821 ( 7.139 1.086 -1.002) 7.291 5.666 ( -7.563 -3.397 -1.100) 8.363 5.794 ( -5.169 -0.896 -0.701) 5.293 5.913 ( -8.334 3.665 -11.071) 14.334 6.119 ( 3.692 0.724 4.774) 6.079 6.547 ( -4.354 3.416 2.947) 6.270 6.657 ( -0.912 3.576 2.970) 4.737 6.813 ( -2.211 2.934 -0.968) 3.799 7.004 ( 5.777 1.062 2.944) 6.570 7.074 ( 6.090 -2.129 8.518) 10.685 7.259 ( 6.135 -2.737 -0.787) 6.764 7.649 ( -5.631 -2.540 6.473) 8.947 7.996 ( 6.683 -3.763 -6.202) 9.864 8.160 ( -2.521 -10.583 1.159) 10.941 8.331 ( 2.646 -3.835 -0.957) 4.757 8.624 ( 0.126 -4.522 1.619) 4.805 8.742 ( 4.528 -0.839 1.298) 4.785 9.005 ( -8.238 2.511 -7.520) 11.433 9.181 ( 8.665 2.445 10.974) 14.195 9.411 ( -10.600 -1.203 4.858) 11.722 9.794 ( -0.145 -1.320 -2.876) 3.168 10.018 ( -4.503 -6.289 -6.651) 10.201 10.207 ( 4.428 -1.596 0.473) 4.731 10.606 ( -11.894 4.139 -4.472) 13.364 10.985 ( 11.054 -4.420 2.566) 12.178 12.052 ( -13.901 5.071 -4.370) 15.429 12.345 ( 4.839 6.690 2.732) 8.697 13.052 ( 2.395 -0.244 5.824) 6.302 13.207 ( 2.230 3.698 -9.983) 10.877======================= Grid point 645 (319/355) =======================q-point: (-0.08 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.688 ( -4.084 2.690 4.077) 6.367 2.207 ( 0.281 4.601 1.097) 4.738 2.350 ( 1.367 -7.269 -10.698) 13.006 2.499 ( -1.507 0.781 0.170) 1.706 2.563 ( 5.115 0.958 16.208) 17.023 2.754 ( 1.346 9.187 -17.798) 20.074 3.018 ( 9.810 4.079 7.778) 13.167 3.261 ( 11.805 -0.273 11.102) 16.207 3.746 ( 6.941 -3.687 -4.243) 8.932 3.897 ( 11.912 1.443 2.415) 12.239 4.232 ( 5.960 -1.678 -3.838) 7.285 4.434 ( 10.934 0.328 5.112) 12.074 4.754 ( 3.094 -3.319 -9.120) 10.187 4.970 ( 7.948 1.123 0.556) 8.047 5.456 ( -14.057 0.821 -12.392) 18.758 5.625 ( -10.193 -1.581 3.450) 10.877 5.759 ( -6.579 3.924 -5.763) 9.586 6.149 ( 0.847 -0.067 4.360) 4.442 6.430 ( -8.556 2.830 -3.954) 9.841 6.669 ( 2.320 3.969 6.354) 7.842 6.829 ( 5.748 0.300 7.866) 9.747 7.051 ( 3.855 2.078 4.217) 6.080 7.304 ( 11.986 -0.347 10.389) 15.866 7.400 ( 7.402 -1.827 2.550) 8.039 7.540 ( -7.834 -3.435 2.282) 8.853 8.077 ( 1.253 1.691 -8.415) 8.674 8.232 ( 3.113 -14.344 3.103) 15.003 8.378 ( 1.463 -2.120 1.272) 2.873 8.648 ( -3.059 -6.494 -6.216) 9.496 8.845 ( 4.027 -2.402 3.681) 5.962 8.903 ( 0.913 0.732 -2.455) 2.720 9.192 ( -10.890 4.238 1.910) 11.841 9.330 ( 5.914 0.563 12.583) 13.915 9.731 ( -4.367 -0.049 0.249) 4.375 9.978 ( -4.097 -4.678 -7.959) 10.100 10.241 ( -1.727 4.558 -6.804) 8.369 10.376 ( -7.257 -0.203 -0.334) 7.268 11.209 ( 8.177 -4.213 1.980) 9.409 11.726 ( -15.607 4.926 -7.444) 17.979 12.364 ( 0.243 5.188 1.654) 5.451 13.118 ( 3.537 -0.475 4.441) 5.697 13.238 ( 3.450 2.339 -7.007) 8.153======================= Grid point 650 (320/355) =======================q-point: (-0.67 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 0.919 -0.000 -7.168) 7.227 2.154 ( -3.243 0.000 3.888) 5.063 2.426 ( 6.608 -0.000 -4.718) 8.120 2.761 ( -8.640 0.000 -10.825) 13.850 2.791 ( -9.198 0.000 14.621) 17.274 2.989 ( 4.424 -0.000 10.204) 11.122 3.157 ( 1.877 -0.000 -10.168) 10.340 3.398 ( 7.484 -0.000 -0.838) 7.531 3.685 ( -10.559 0.000 7.406) 12.897 4.182 ( -18.418 0.000 -11.973) 21.968 4.394 ( -6.677 0.000 4.171) 7.873 4.694 ( 15.805 -0.000 5.041) 16.589 4.875 ( -8.026 0.000 2.611) 8.440 5.033 ( -15.832 0.000 -3.015) 16.116 5.348 ( -3.585 0.000 2.665) 4.467 5.555 ( -1.289 0.000 6.725) 6.847 5.782 ( 20.986 -0.000 -1.552) 21.043 5.808 ( 0.322 -0.000 -3.491) 3.506 6.164 ( 0.142 -0.000 2.661) 2.664 6.809 ( 13.667 -0.000 2.506) 13.895 7.247 ( -7.913 0.000 -7.027) 10.583 7.345 ( -4.135 0.000 -8.643) 9.581 7.380 ( -2.542 0.000 3.371) 4.222 7.760 ( 0.922 -0.000 -0.079) 0.925 7.792 ( -6.364 0.000 10.417) 12.207 7.931 ( -10.111 0.000 -3.198) 10.604 8.042 ( 3.315 -0.000 0.533) 3.357 8.281 ( -12.913 0.000 -6.901) 14.642 8.448 ( 3.384 -0.000 -2.240) 4.058 8.700 ( 5.163 -0.000 1.450) 5.363 8.761 ( 3.009 -0.000 5.304) 6.098 9.067 ( -0.166 0.000 -9.043) 9.044 9.755 ( -5.915 0.000 -4.067) 7.178 9.789 ( 7.544 -0.000 16.268) 17.932 9.845 ( 1.013 -0.000 4.211) 4.331 9.948 ( -5.306 0.000 -5.811) 7.869 10.290 ( -0.728 0.000 -4.556) 4.614 10.956 ( 19.796 -0.000 3.784) 20.154 11.662 ( -6.810 0.000 -7.038) 9.793 12.238 ( 6.660 -0.000 4.561) 8.072 13.251 ( -2.513 0.000 5.927) 6.437 13.350 ( -1.166 0.000 -6.496) 6.600======================= Grid point 652 (321/355) =======================q-point: (-0.58 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -7.770 6.925 0.367) 10.415 2.065 ( -2.431 -2.606 -3.330) 4.877 2.425 ( -5.360 -0.709 -1.611) 5.641 2.561 ( -9.067 0.618 -5.018) 10.381 2.769 ( 5.324 4.744 15.029) 16.634 3.104 ( 0.605 1.398 -7.749) 7.897 3.260 ( 10.179 -6.399 7.115) 13.971 3.449 ( -11.374 1.917 4.437) 12.359 3.502 ( -0.010 -1.994 3.973) 4.445 3.815 ( -19.135 -1.099 -12.620) 22.948 4.349 ( 1.171 -0.893 2.947) 3.294 4.669 ( -20.538 0.573 -0.246) 20.547 4.721 ( -6.834 -1.089 0.743) 6.960 5.025 ( 16.851 0.726 6.927) 18.234 5.232 ( -7.464 1.028 -1.223) 7.633 5.571 ( 2.309 1.108 9.783) 10.113 5.778 ( -1.847 -0.043 -6.773) 7.020 6.175 ( 18.350 1.129 -1.890) 18.482 6.191 ( 3.209 0.390 3.005) 4.413 6.989 ( -0.698 -1.229 4.118) 4.354 7.138 ( 0.673 4.135 -11.375) 12.122 7.274 ( 0.363 0.139 -7.259) 7.270 7.334 ( -4.291 -3.823 0.588) 5.777 7.581 ( -13.626 2.146 -9.866) 16.959 7.718 ( -4.090 4.724 -0.176) 6.251 7.825 ( -4.395 -7.113 11.936) 14.573 8.002 ( -9.890 -3.375 -4.038) 11.203 8.114 ( -1.921 -1.422 4.379) 4.989 8.502 ( 3.068 0.273 -3.303) 4.516 8.804 ( 3.917 -0.772 1.140) 4.152 8.835 ( 4.988 0.222 2.351) 5.519 9.136 ( 6.981 -0.558 -5.553) 8.938 9.659 ( -2.255 1.912 -2.895) 4.137 9.811 ( -4.612 0.913 5.880) 7.528 9.817 ( -6.854 -0.593 -6.413) 9.405 9.955 ( 7.722 -0.303 17.014) 18.687 10.282 ( -0.345 -0.800 -3.702) 3.803 11.352 ( 19.645 2.022 -4.286) 20.209 11.539 ( -3.756 -0.352 -3.602) 5.216 12.355 ( 5.040 0.310 5.493) 7.461 13.196 ( -3.803 0.054 6.676) 7.683 13.316 ( -1.612 0.263 -7.856) 8.024======================= Grid point 653 (322/355) =======================q-point: (-0.50 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -4.209 7.938 7.251) 11.546 2.055 ( 0.025 -4.097 -3.713) 5.530 2.333 ( -4.208 -3.375 4.581) 7.077 2.398 ( -8.179 1.232 1.554) 8.416 2.825 ( 1.135 10.871 11.753) 16.050 3.018 ( -6.620 3.192 -16.772) 18.311 3.206 ( -12.183 -2.115 -0.488) 12.375 3.440 ( -9.004 -0.498 2.159) 9.273 3.487 ( -12.507 -2.820 -2.725) 13.107 3.539 ( 11.163 -5.977 10.517) 16.461 4.281 ( -15.922 1.389 -0.101) 15.982 4.450 ( 6.003 -0.751 3.723) 7.103 4.660 ( 0.110 -0.053 -5.127) 5.129 5.014 ( -11.164 0.939 -0.383) 11.210 5.388 ( 17.762 3.177 9.388) 20.340 5.639 ( 4.538 0.451 6.098) 7.614 5.745 ( -0.764 -0.874 -4.893) 5.029 6.215 ( 0.596 -0.110 -2.983) 3.044 6.494 ( 14.744 3.625 1.039) 15.218 6.887 ( -6.580 0.422 -3.458) 7.446 7.058 ( -4.822 4.491 -7.822) 10.227 7.225 ( -8.574 1.164 -5.022) 10.005 7.281 ( -8.101 -3.177 -0.793) 8.737 7.477 ( 8.743 -0.411 -5.425) 10.298 7.521 ( -13.569 1.732 -6.333) 15.074 7.794 ( -3.613 -5.645 13.636) 15.194 7.908 ( -3.044 -9.417 -3.862) 10.623 8.109 ( -0.457 -1.856 10.091) 10.271 8.563 ( 4.033 1.024 -3.339) 5.335 8.837 ( -1.152 -1.493 -0.652) 1.995 8.920 ( 3.358 1.214 0.253) 3.580 9.292 ( 9.100 -0.975 -5.862) 10.868 9.615 ( -4.930 4.723 -4.979) 8.450 9.703 ( -6.873 -2.480 6.913) 10.059 9.729 ( 1.978 -2.225 -2.887) 4.147 10.138 ( 10.023 0.401 18.902) 21.399 10.265 ( -2.018 -1.507 -3.241) 4.104 11.352 ( -7.485 -0.014 -15.107) 16.859 11.796 ( 20.294 4.374 4.287) 21.198 12.426 ( 2.015 0.457 5.162) 5.560 13.126 ( -3.980 0.341 7.997) 8.939 13.277 ( -1.123 0.886 -10.279) 10.378======================= Grid point 654 (323/355) =======================q-point: (-0.42 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 5.911 7.485 13.962) 16.909 2.123 ( 4.800 -7.116 0.360) 8.591 2.229 ( -9.493 0.651 7.976) 12.416 2.337 ( 2.312 -3.150 5.076) 6.405 2.688 ( -11.377 4.271 3.746) 12.716 2.820 ( -9.144 3.905 -13.318) 16.620 3.010 ( -6.910 0.755 -9.749) 11.973 3.181 ( -14.761 -1.903 -6.674) 16.311 3.422 ( 1.693 4.222 12.721) 13.510 3.712 ( 1.517 -2.384 9.043) 9.474 4.108 ( 0.650 -0.014 -0.153) 0.668 4.553 ( 0.979 5.092 -3.736) 6.391 4.681 ( 2.027 -1.828 -3.797) 4.676 4.825 ( -5.690 0.762 1.169) 5.858 5.631 ( 7.551 5.216 9.406) 13.142 5.747 ( 3.052 -1.306 0.280) 3.332 5.800 ( 9.731 -1.356 1.933) 10.013 6.201 ( -2.176 -1.345 -5.310) 5.894 6.676 ( 6.279 5.712 0.116) 8.489 6.781 ( -2.803 -0.336 -5.077) 5.810 6.938 ( -4.068 6.562 -2.136) 8.011 7.080 ( -4.382 0.291 -4.716) 6.444 7.124 ( -10.301 -2.635 0.458) 10.643 7.244 ( -12.351 -2.308 -6.880) 14.325 7.655 ( 6.347 -3.695 0.989) 7.410 7.760 ( -2.269 -0.647 7.887) 8.233 7.959 ( 2.756 -11.868 -1.839) 12.322 8.124 ( -1.060 -4.271 7.201) 8.440 8.630 ( 3.631 1.674 -2.173) 4.551 8.778 ( -5.084 -0.821 -1.272) 5.305 8.960 ( 2.729 2.621 3.264) 4.997 9.431 ( -7.554 -0.568 -12.941) 14.995 9.482 ( 7.780 0.747 -3.159) 8.430 9.601 ( -6.143 -4.428 8.034) 11.040 9.872 ( 9.252 -1.924 0.630) 9.471 10.203 ( -5.035 -1.630 -2.901) 6.035 10.367 ( 11.990 -0.671 18.979) 22.460 11.175 ( -9.587 0.364 -16.093) 18.736 12.109 ( 14.900 6.484 4.017) 16.739 12.429 ( -1.901 0.897 3.102) 3.747 13.063 ( -2.940 0.794 9.100) 9.596 13.252 ( 0.365 1.968 -13.134) 13.285======================= Grid point 655 (324/355) =======================q-point: (-0.33 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.958 ( 6.100 4.983 17.319) 19.026 2.054 ( -5.657 2.080 8.143) 10.131 2.300 ( 6.736 -4.926 4.175) 9.331 2.440 ( 2.774 -4.704 13.703) 14.751 2.479 ( -3.431 -3.455 -13.824) 14.657 2.645 ( -6.182 0.002 -9.276) 11.147 2.905 ( -6.497 0.991 -2.034) 6.880 3.011 ( 2.915 2.972 -9.868) 10.710 3.467 ( 5.237 11.337 15.472) 19.883 3.698 ( 0.363 1.770 -6.777) 7.014 4.234 ( 7.936 -1.050 7.431) 10.922 4.389 ( -11.113 1.350 -7.326) 13.379 4.754 ( 3.700 1.871 -0.329) 4.160 4.778 ( -0.725 2.069 -2.777) 3.538 5.696 ( -0.616 -1.005 7.343) 7.437 5.788 ( 1.882 -0.938 -1.120) 2.382 5.997 ( 9.028 1.767 3.928) 10.003 6.120 ( -6.525 -0.421 -8.983) 11.111 6.701 ( -4.139 3.759 2.488) 6.119 6.763 ( 2.466 3.381 -3.548) 5.486 6.849 ( -0.771 2.482 3.722) 4.540 6.927 ( -5.021 1.462 -3.716) 6.415 7.060 ( -2.927 -1.907 2.537) 4.318 7.130 ( 0.607 -3.384 -4.237) 5.457 7.690 ( -3.328 -2.998 9.285) 10.309 7.805 ( 4.193 -4.367 -1.730) 6.297 8.080 ( 0.143 -7.231 2.628) 7.695 8.143 ( 3.638 -7.766 -4.014) 9.469 8.664 ( -2.848 2.289 1.470) 3.938 8.684 ( 0.076 0.109 -0.752) 0.764 9.039 ( 6.140 0.762 9.465) 11.308 9.230 ( -9.898 2.051 -9.767) 14.056 9.519 ( -5.878 -3.810 6.336) 9.445 9.661 ( 8.284 -3.557 -7.762) 11.897 10.050 ( 7.155 -2.036 1.461) 7.581 10.087 ( -7.217 -2.922 -2.866) 8.297 10.621 ( 11.707 -1.247 17.637) 21.206 10.962 ( -10.388 0.913 -17.328) 20.224 12.285 ( 3.689 6.203 5.569) 9.116 12.354 ( -2.059 2.975 -1.531) 3.929 13.031 ( -0.615 0.724 8.843) 8.894 13.244 ( 1.446 3.248 -14.260) 14.697======================= Grid point 656 (325/355) =======================q-point: (-0.25 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.837 ( -8.111 2.349 8.845) 12.229 2.160 ( 6.979 3.132 10.514) 13.003 2.302 ( -2.988 -4.904 -5.463) 7.926 2.485 ( 2.425 1.137 3.440) 4.360 2.536 ( -1.824 -2.837 -8.902) 9.520 2.712 ( 12.339 -4.176 7.820) 15.193 2.896 ( 7.495 3.615 -0.090) 8.321 3.109 ( 7.167 5.987 -4.011) 10.164 3.552 ( 9.237 6.371 6.388) 12.912 3.763 ( 8.629 4.280 -8.068) 12.565 4.197 ( -7.034 -3.155 -5.657) 9.562 4.351 ( 3.283 1.902 10.224) 10.905 4.729 ( -2.229 -0.535 -5.314) 5.787 4.837 ( 6.442 1.864 -1.575) 6.888 5.635 ( -6.516 -2.669 2.956) 7.637 5.784 ( -5.144 -1.109 -0.256) 5.268 5.949 ( -8.012 3.073 -13.238) 15.776 6.126 ( 3.419 0.625 3.732) 5.100 6.579 ( -3.011 2.535 5.255) 6.565 6.698 ( -3.507 4.396 1.254) 5.761 6.852 ( -1.402 4.556 -0.208) 4.772 7.015 ( 6.169 1.074 2.607) 6.782 7.053 ( 7.621 -1.795 8.043) 11.225 7.225 ( 5.923 -3.780 -0.167) 7.028 7.625 ( -5.891 -2.024 5.664) 8.419 7.919 ( 4.222 -10.726 -0.397) 11.534 8.080 ( -0.701 -4.501 -5.082) 6.825 8.283 ( 4.717 -5.335 -2.800) 7.653 8.590 ( -2.409 -2.035 2.149) 3.816 8.738 ( 4.000 0.277 2.366) 4.655 9.027 ( -8.379 1.889 -6.693) 10.889 9.185 ( 6.222 -1.689 13.252) 14.737 9.412 ( -6.512 1.484 2.587) 7.162 9.779 ( 1.576 -1.582 -4.275) 4.823 9.956 ( -5.519 -5.481 -6.028) 9.841 10.186 ( 4.832 -2.137 1.091) 5.395 10.651 ( -10.639 4.503 -7.004) 13.510 10.938 ( 9.922 -4.668 4.860) 11.994 12.105 ( -13.506 4.864 -1.947) 14.486 12.410 ( 4.175 5.586 1.175) 7.073 13.052 ( 2.225 0.274 7.121) 7.465 13.245 ( 1.906 3.573 -12.255) 12.906======================= Grid point 657 (326/355) =======================q-point: (-0.17 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.724 ( -2.770 4.092 5.944) 7.730 2.252 ( -2.962 -0.865 -13.566) 13.913 2.276 ( 6.043 -2.152 6.301) 8.992 2.499 ( -1.483 -0.795 -5.280) 5.542 2.587 ( 6.760 3.476 18.674) 20.162 2.851 ( 1.849 9.127 -12.203) 15.351 3.065 ( 11.834 5.039 3.593) 13.355 3.260 ( 10.915 0.139 10.652) 15.252 3.707 ( 4.250 -3.635 -4.542) 7.205 3.895 ( 4.656 -2.107 -4.401) 6.745 4.221 ( 10.150 -0.178 -0.502) 10.164 4.442 ( 9.095 1.331 5.077) 10.501 4.714 ( 1.241 -4.384 -8.333) 9.497 4.983 ( 8.839 1.344 1.123) 9.011 5.469 ( -12.581 1.603 -7.643) 14.808 5.610 ( -10.164 -1.519 4.131) 11.076 5.796 ( -5.691 3.236 -8.791) 10.961 6.150 ( 0.246 0.347 4.030) 4.053 6.465 ( -9.306 4.035 -3.936) 10.880 6.710 ( 4.700 3.374 8.013) 9.884 6.838 ( 3.020 1.724 7.460) 8.230 7.076 ( 5.225 2.748 3.692) 6.963 7.300 ( 11.555 -0.383 8.929) 14.608 7.375 ( 8.189 -2.840 4.339) 9.693 7.502 ( -8.509 -3.806 1.708) 9.477 8.076 ( 4.104 -15.152 3.287) 16.039 8.092 ( 1.590 0.925 -9.736) 9.908 8.352 ( 1.496 -3.018 -1.544) 3.705 8.580 ( -3.013 -6.222 -3.998) 7.986 8.821 ( 3.105 -2.162 4.041) 5.535 8.912 ( -1.176 1.055 -2.300) 2.791 9.200 ( -9.326 -2.232 7.588) 12.228 9.367 ( 5.803 6.046 6.999) 10.918 9.727 ( -4.068 -0.753 0.695) 4.196 9.936 ( -1.243 -3.466 -8.576) 9.333 10.261 ( 1.997 -0.710 -1.078) 2.378 10.397 ( -11.205 4.095 -8.843) 14.850 11.160 ( 8.650 -4.979 6.053) 11.672 11.781 ( -16.227 5.459 -6.008) 18.144 12.419 ( -0.311 5.156 0.004) 5.166 13.115 ( 3.519 -0.070 5.405) 6.450 13.264 ( 2.800 2.550 -8.717) 9.504======================= Grid point 658 (327/355) =======================q-point: (-0.08 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( 1.372 5.875 3.365) 6.909 2.181 ( -2.217 5.320 -10.853) 12.289 2.376 ( -1.846 0.882 -7.535) 7.807 2.491 ( 4.546 -3.516 10.156) 11.669 2.716 ( 6.886 1.979 15.208) 16.811 2.849 ( 5.806 5.691 -13.354) 15.634 3.226 ( 7.717 7.615 4.722) 11.826 3.390 ( -1.230 0.670 7.674) 7.801 3.798 ( 6.817 -6.270 3.001) 9.736 3.976 ( 1.787 -10.684 -7.324) 13.076 4.449 ( 10.848 2.272 -0.689) 11.104 4.691 ( 15.221 -2.883 -2.447) 15.684 4.853 ( 10.432 -4.328 -6.659) 13.111 5.045 ( -7.620 4.795 0.208) 9.006 5.251 ( 0.267 -0.862 -11.677) 11.712 5.475 ( -5.527 1.754 12.507) 13.786 5.661 ( -5.820 4.877 -7.324) 10.550 6.157 ( -1.141 -1.865 2.372) 3.226 6.224 ( -11.947 2.949 -6.926) 14.121 6.740 ( 0.888 6.478 8.989) 11.115 6.979 ( 8.755 -1.943 10.980) 14.177 7.197 ( 8.642 4.238 7.201) 12.021 7.341 ( -8.171 -5.154 -3.124) 10.153 7.505 ( 7.535 -2.806 7.031) 10.680 7.574 ( 10.526 0.707 7.332) 12.848 8.064 ( -2.300 1.634 -6.113) 6.732 8.244 ( 4.285 -12.129 3.912) 13.445 8.394 ( 1.215 -2.696 -0.850) 3.077 8.514 ( -5.379 -5.971 -7.510) 10.999 8.840 ( -3.591 -2.004 1.710) 4.453 8.953 ( 3.044 -3.604 -4.334) 6.406 9.042 ( -5.556 0.653 6.542) 8.608 9.439 ( 3.061 4.097 7.185) 8.819 9.709 ( 1.906 1.827 3.354) 4.268 9.883 ( -3.367 0.579 -6.076) 6.971 10.164 ( -7.137 4.953 -11.153) 14.137 10.308 ( -0.630 -2.960 3.116) 4.343 11.214 ( -8.803 1.177 -4.828) 10.109 11.555 ( -0.408 -0.342 -1.315) 1.419 12.351 ( -4.033 4.212 -1.050) 5.925 13.184 ( 2.994 -0.208 4.751) 5.620 13.306 ( 3.178 1.327 -6.145) 7.044======================= Grid point 664 (328/355) =======================q-point: (-0.58 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.886 ( -4.581 0.000 7.333) 8.646 2.023 ( -0.975 0.000 -4.987) 5.081 2.315 ( -3.683 0.000 4.263) 5.634 2.405 ( -8.499 0.000 2.227) 8.786 2.890 ( 0.358 -0.000 9.922) 9.928 3.034 ( -6.603 0.000 -17.091) 18.322 3.188 ( -11.328 0.000 4.832) 12.315 3.437 ( -9.949 0.000 -0.633) 9.969 3.469 ( -11.782 0.000 -1.219) 11.845 3.511 ( 12.108 -0.000 9.009) 15.092 4.289 ( -16.093 0.000 -0.008) 16.093 4.446 ( 7.100 -0.000 4.031) 8.165 4.660 ( 0.231 -0.000 -5.259) 5.264 5.019 ( -11.355 0.000 -0.812) 11.384 5.405 ( 18.416 -0.000 9.432) 20.691 5.642 ( 4.009 -0.000 6.965) 8.036 5.740 ( -1.186 0.000 -5.780) 5.901 6.214 ( 0.396 -0.000 -2.776) 2.804 6.515 ( 15.121 -0.000 0.932) 15.149 6.887 ( -6.986 0.000 -3.453) 7.793 7.086 ( -4.484 0.000 -9.000) 10.055 7.230 ( -6.014 0.000 0.637) 6.047 7.263 ( -10.233 0.000 -5.037) 11.406 7.476 ( 8.574 -0.000 -6.882) 10.995 7.532 ( -15.638 0.000 -8.325) 17.716 7.762 ( -1.602 0.000 16.938) 17.014 7.855 ( -3.382 0.000 -3.166) 4.632 8.100 ( -0.722 0.000 9.579) 9.606 8.569 ( 4.183 -0.000 -3.886) 5.709 8.828 ( -1.033 0.000 -0.690) 1.242 8.927 ( 3.726 -0.000 0.548) 3.766 9.286 ( 8.762 -0.000 -6.427) 10.866 9.657 ( -8.547 0.000 -8.779) 12.253 9.670 ( -2.287 0.000 8.178) 8.491 9.720 ( 0.158 -0.000 -0.040) 0.163 10.139 ( 9.917 -0.000 19.710) 22.065 10.258 ( -1.961 0.000 -3.395) 3.921 11.351 ( -7.520 0.000 -15.440) 17.174 11.819 ( 20.591 -0.000 3.600) 20.904 12.428 ( 1.939 -0.000 5.730) 6.049 13.128 ( -3.888 0.000 8.250) 9.120 13.282 ( -0.991 0.000 -10.559) 10.605======================= Grid point 666 (329/355) =======================q-point: (-0.50 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 6.450 6.225 12.878) 15.690 2.046 ( 2.970 -6.322 1.732) 7.197 2.234 ( -9.867 0.237 8.689) 13.150 2.316 ( 3.035 -0.926 3.209) 4.512 2.720 ( -15.554 1.726 3.358) 16.006 2.843 ( -10.632 0.788 -16.430) 19.586 3.027 ( -4.543 1.685 -7.020) 8.530 3.160 ( -14.855 -1.561 -6.568) 16.318 3.453 ( 5.079 1.500 11.553) 12.709 3.694 ( 3.614 -0.970 12.598) 13.142 4.109 ( -0.570 0.107 -1.058) 1.206 4.605 ( 3.843 4.716 -2.086) 6.431 4.653 ( -0.222 -3.500 -6.018) 6.965 4.830 ( -5.267 0.229 1.403) 5.455 5.674 ( 4.841 2.467 11.507) 12.725 5.736 ( 1.663 -0.615 -2.673) 3.208 5.787 ( 13.369 -0.869 2.004) 13.546 6.191 ( -2.632 -0.504 -4.707) 5.416 6.727 ( 6.413 3.693 0.416) 7.412 6.770 ( -2.680 -1.658 -5.207) 6.087 6.996 ( -4.202 3.848 -2.521) 6.231 7.083 ( -5.211 0.430 -3.999) 6.583 7.099 ( -9.387 -2.103 0.535) 9.635 7.224 ( -13.815 -1.264 -7.652) 15.843 7.623 ( 3.798 -1.880 3.971) 5.807 7.779 ( 1.097 4.321 2.931) 5.335 7.849 ( 3.305 -8.954 0.874) 9.585 8.096 ( -1.341 -1.257 6.906) 7.146 8.644 ( 4.095 0.909 -3.095) 5.212 8.770 ( -4.601 -0.512 -0.916) 4.719 8.980 ( 2.429 1.147 3.762) 4.622 9.412 ( -0.486 -1.453 -15.078) 15.155 9.506 ( -0.546 2.304 -2.133) 3.187 9.562 ( -6.375 -2.687 8.875) 11.253 9.858 ( 9.529 -0.638 0.239) 9.553 10.189 ( -5.262 -0.781 -2.254) 5.777 10.365 ( 11.790 -0.021 19.392) 22.695 11.177 ( -9.360 0.064 -16.789) 19.222 12.156 ( 14.779 2.373 2.603) 15.193 12.434 ( -1.844 0.185 4.629) 4.986 13.070 ( -2.882 0.362 9.644) 10.072 13.266 ( 0.695 0.709 -13.894) 13.930======================= Grid point 667 (330/355) =======================q-point: (-0.42 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.007 ( -2.105 3.767 15.665) 16.249 2.083 ( 2.480 3.704 8.763) 9.832 2.238 ( 10.644 -6.654 7.237) 14.490 2.405 ( -2.783 -2.020 13.486) 13.917 2.450 ( -2.388 -1.944 -13.752) 14.092 2.644 ( -7.629 -0.106 -12.978) 15.055 2.914 ( -7.323 0.672 -0.395) 7.364 3.036 ( 5.434 1.674 -10.318) 11.781 3.571 ( 6.958 8.376 11.135) 15.575 3.702 ( 0.005 -1.063 -0.841) 1.356 4.225 ( 8.725 -0.679 7.459) 11.499 4.401 ( -13.429 0.907 -9.064) 16.227 4.772 ( 4.950 1.464 -0.294) 5.170 4.794 ( -1.054 0.844 -2.376) 2.733 5.687 ( -2.900 -0.640 7.159) 7.750 5.781 ( 2.426 -0.506 -1.138) 2.727 6.014 ( 8.962 1.344 3.098) 9.577 6.115 ( -5.102 -0.530 -7.698) 9.250 6.731 ( -8.005 1.914 2.598) 8.631 6.785 ( 6.944 0.986 -1.764) 7.232 6.884 ( -4.326 3.799 2.139) 6.142 6.942 ( -2.751 0.927 -2.096) 3.581 7.048 ( -2.492 -0.276 0.358) 2.533 7.094 ( 0.333 -3.491 -3.532) 4.978 7.661 ( -0.806 -2.365 8.895) 9.239 7.767 ( -0.980 -2.655 -0.960) 2.989 8.021 ( 6.605 -4.008 1.622) 7.894 8.078 ( 0.409 -4.464 -4.303) 6.213 8.674 ( -5.459 0.107 1.729) 5.727 8.701 ( 3.035 2.369 -0.920) 3.958 9.039 ( 3.883 -0.507 10.403) 11.115 9.247 ( -9.728 1.237 -10.374) 14.275 9.487 ( -3.797 -2.304 6.126) 7.567 9.630 ( 7.976 -2.205 -8.307) 11.726 10.035 ( 7.544 -0.934 1.212) 7.697 10.062 ( -7.930 -1.724 -1.987) 8.354 10.612 ( 12.085 -0.472 18.198) 21.850 10.968 ( -10.750 0.347 -18.057) 21.018 12.338 ( -0.514 3.870 4.155) 5.701 12.375 ( 1.987 1.012 0.396) 2.265 13.039 ( -0.807 0.583 9.626) 9.677 13.271 ( 1.742 1.860 -15.552) 15.759======================= Grid point 668 (331/355) =======================q-point: (-0.33 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( -6.833 3.185 10.512) 12.936 2.152 ( -1.926 -4.200 3.613) 5.865 2.298 ( 3.723 3.776 -0.853) 5.370 2.494 ( 2.973 -1.679 -6.792) 7.601 2.510 ( 1.204 -0.092 2.191) 2.501 2.666 ( 13.891 -4.547 10.155) 17.798 2.925 ( 9.089 2.097 1.920) 9.523 3.167 ( 8.026 4.950 -7.764) 12.215 3.609 ( 3.370 4.350 -1.333) 5.661 3.804 ( 8.880 3.405 -2.662) 9.876 4.166 ( -8.663 -2.643 -6.277) 11.019 4.369 ( 4.808 1.458 12.518) 13.489 4.723 ( -4.393 -0.599 -5.801) 7.301 4.857 ( 5.732 1.806 -2.287) 6.430 5.612 ( -5.512 -1.688 6.128) 8.413 5.773 ( -5.252 -0.969 0.165) 5.343 5.976 ( -7.809 2.122 -14.630) 16.719 6.131 ( 3.325 0.399 2.848) 4.396 6.598 ( -1.578 1.188 7.499) 7.755 6.743 ( -6.364 3.984 -0.624) 7.534 6.901 ( -0.734 4.564 1.486) 4.855 7.027 ( 7.584 1.224 2.712) 8.147 7.039 ( 8.599 -0.603 6.560) 10.832 7.181 ( 5.398 -4.486 0.477) 7.035 7.611 ( -6.326 -0.365 4.489) 7.766 7.800 ( 1.422 -11.105 3.291) 11.669 8.052 ( 1.538 -1.569 -9.870) 10.112 8.228 ( 6.662 -4.864 -3.281) 8.877 8.579 ( -4.305 -0.444 3.131) 5.341 8.747 ( 2.946 1.227 1.792) 3.660 9.046 ( -7.792 1.773 -4.814) 9.330 9.152 ( 2.739 -4.181 13.360) 14.264 9.435 ( -1.806 2.627 2.229) 3.890 9.762 ( 3.826 -1.534 -6.201) 7.446 9.908 ( -6.951 -3.724 -4.908) 9.289 10.166 ( 4.751 -1.680 1.394) 5.228 10.697 ( -9.982 4.160 -10.754) 15.251 10.891 ( 9.441 -4.246 8.507) 13.399 12.148 ( -13.219 3.426 -0.246) 13.658 12.457 ( 3.686 3.501 0.239) 5.089 13.056 ( 2.049 0.436 8.022) 8.291 13.278 ( 1.644 2.623 -13.905) 14.246======================= Grid point 669 (332/355) =======================q-point: (-0.25 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.772 ( -1.529 5.259 7.806) 9.536 2.172 ( 1.035 -8.852 -7.033) 11.353 2.323 ( 2.484 5.422 1.664) 6.192 2.485 ( -0.827 -1.809 -8.550) 8.778 2.630 ( 7.900 4.498 18.626) 20.726 2.930 ( 7.153 5.535 -2.279) 9.327 3.123 ( 12.224 6.063 -1.511) 13.728 3.266 ( 8.466 1.064 7.713) 11.502 3.673 ( 1.201 -2.781 -5.790) 6.534 3.853 ( -2.531 -5.728 -9.996) 11.795 4.230 ( 14.195 1.721 2.351) 14.491 4.462 ( 7.380 2.421 5.522) 9.530 4.665 ( -0.663 -4.876 -7.609) 9.061 4.997 ( 9.245 1.192 0.948) 9.370 5.489 ( -11.131 2.265 -2.779) 11.694 5.592 ( -9.830 -1.982 4.539) 11.007 5.825 ( -5.112 2.271 -11.468) 12.760 6.156 ( -0.053 0.715 3.653) 3.723 6.511 ( -10.250 4.580 -3.861) 11.872 6.729 ( 7.164 0.238 10.638) 12.828 6.870 ( 0.202 4.350 6.395) 7.737 7.108 ( 6.693 3.345 3.253) 8.159 7.290 ( 8.948 -2.227 5.550) 10.762 7.347 ( 10.869 -1.926 8.103) 13.693 7.463 ( -9.253 -3.487 1.064) 9.945 7.928 ( 4.550 -12.697 3.773) 14.006 8.096 ( 2.954 -0.244 -12.224) 12.578 8.317 ( 1.307 -3.473 -5.352) 6.513 8.528 ( -3.296 -3.748 0.028) 4.991 8.802 ( 2.277 -1.387 3.501) 4.400 8.925 ( -2.828 1.385 -1.529) 3.501 9.164 ( -6.113 -3.955 9.802) 12.211 9.435 ( 4.316 6.501 5.135) 9.341 9.714 ( -4.706 -1.753 1.039) 5.128 9.907 ( 1.874 -2.032 -9.513) 9.906 10.241 ( 2.151 -2.414 1.314) 3.490 10.446 ( -11.408 4.869 -14.080) 18.764 11.110 ( 8.838 -4.513 9.884) 14.006 11.834 ( -16.619 4.518 -4.470) 17.793 12.467 ( -0.705 3.827 -1.290) 4.100 13.116 ( 3.429 0.236 6.200) 7.089 13.289 ( 2.160 2.203 -10.230) 10.685======================= Grid point 670 (333/355) =======================q-point: (-0.17 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 2.123 6.711 6.169) 9.359 2.213 ( 0.853 0.262 -13.026) 13.057 2.390 ( 2.575 2.074 0.706) 3.381 2.463 ( 0.708 -1.695 4.927) 5.258 2.747 ( 5.469 3.991 13.726) 15.305 2.922 ( 2.672 8.271 -11.851) 14.696 3.302 ( 7.929 6.648 2.852) 10.733 3.397 ( -0.649 0.612 7.640) 7.692 3.726 ( 6.511 -7.463 4.562) 10.904 3.859 ( 0.085 -11.500 -10.406) 15.509 4.470 ( 8.356 1.448 -2.747) 8.914 4.664 ( 15.081 -2.005 -2.399) 15.402 4.810 ( 12.124 -4.041 -4.465) 13.537 5.092 ( -8.089 3.985 1.268) 9.106 5.243 ( -0.128 -0.594 -10.610) 10.628 5.496 ( -3.610 2.148 13.651) 14.283 5.708 ( -5.182 4.052 -7.903) 10.283 6.142 ( -2.522 -1.045 2.330) 3.589 6.258 ( -11.812 3.462 -7.136) 14.228 6.812 ( 0.696 7.226 9.100) 11.641 6.954 ( 8.470 -2.768 12.222) 15.126 7.240 ( 7.546 3.359 6.284) 10.378 7.290 ( -6.913 -3.839 -3.224) 8.540 7.468 ( 7.356 -4.261 6.838) 10.910 7.584 ( 10.930 1.361 8.109) 13.677 8.061 ( 1.105 -4.605 -1.558) 4.986 8.139 ( 3.166 -5.397 -2.756) 6.837 8.347 ( 0.383 -6.229 -7.621) 9.850 8.470 ( -3.888 -2.480 -1.214) 4.768 8.822 ( -2.314 -1.488 1.066) 2.950 8.918 ( 0.901 -3.108 -2.907) 4.350 9.039 ( -6.986 -0.968 6.783) 9.785 9.488 ( 3.403 5.069 6.160) 8.673 9.715 ( 3.573 -0.823 4.999) 6.200 9.899 ( -1.955 2.431 -6.561) 7.265 10.213 ( -9.214 3.897 -11.797) 15.468 10.279 ( 0.529 -2.055 0.779) 2.260 11.215 ( -4.185 -0.972 1.483) 4.545 11.560 ( -5.122 1.298 -3.382) 6.274 12.393 ( -4.573 3.733 -2.251) 6.318 13.183 ( 2.962 0.030 5.269) 6.044 13.320 ( 2.706 1.289 -7.078) 7.686======================= Grid point 671 (334/355) =======================q-point: (-0.08 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 3.208 6.722 3.993) 8.451 2.166 ( -3.872 7.783 -7.707) 11.617 2.298 ( -3.313 1.656 -7.214) 8.109 2.621 ( 7.833 -2.998 9.852) 12.939 2.842 ( 4.323 0.042 11.019) 11.837 2.979 ( 6.121 1.903 -6.910) 9.426 3.296 ( -5.928 0.311 0.230) 5.940 3.374 ( 3.792 5.133 0.217) 6.385 3.905 ( 1.764 -8.867 -3.096) 9.556 3.999 ( 12.075 -6.952 8.174) 16.154 4.615 ( 8.864 -1.497 -9.347) 12.968 4.743 ( -16.331 3.059 -4.846) 17.307 4.944 ( 11.109 -1.177 -0.787) 11.199 5.094 ( 10.024 -2.645 -3.851) 11.059 5.350 ( 5.266 0.675 -5.216) 7.443 5.449 ( 0.118 2.847 14.425) 14.704 5.571 ( -5.433 4.812 -6.144) 9.509 5.940 ( -13.838 1.263 -8.555) 16.319 6.185 ( 1.249 -0.762 2.326) 2.748 6.738 ( -6.496 4.219 10.395) 12.963 7.141 ( 8.242 -1.769 8.437) 11.926 7.211 ( -0.607 -3.110 -4.424) 5.442 7.392 ( 7.508 3.637 7.478) 11.204 7.641 ( 7.806 -2.476 9.755) 12.737 7.764 ( 8.268 0.178 2.171) 8.550 8.005 ( -4.821 2.685 -3.542) 6.557 8.257 ( 2.529 -8.829 5.507) 10.709 8.366 ( -1.552 -6.399 -9.743) 11.759 8.428 ( -1.004 -0.207 2.523) 2.723 8.731 ( -6.072 0.603 -1.742) 6.345 8.953 ( -0.333 -5.702 -6.479) 8.637 8.987 ( 0.553 -4.507 7.947) 9.153 9.520 ( 1.694 7.272 4.551) 8.744 9.771 ( 0.380 5.362 -0.508) 5.400 9.881 ( 4.186 -1.466 1.519) 4.688 10.034 ( -7.214 1.963 -9.065) 11.750 10.287 ( -0.755 -1.701 2.725) 3.300 10.986 ( -13.175 4.591 -10.714) 17.592 11.627 ( 6.626 -3.540 2.831) 8.028 12.264 ( -6.654 3.009 -2.585) 7.746 13.233 ( 1.757 -0.145 5.264) 5.551 13.357 ( 2.153 0.686 -5.619) 6.056======================= Grid point 678 (335/355) =======================q-point: ( 0.50 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -7.667 0.000 14.853) 16.716 2.117 ( 5.834 -0.000 6.492) 8.728 2.187 ( 14.503 0.000 11.609) 18.577 2.395 ( -5.618 0.000 12.771) 13.952 2.440 ( -1.478 0.000 -13.707) 13.787 2.644 ( -7.969 0.000 -14.224) 16.304 2.917 ( -7.771 0.000 0.158) 7.773 3.045 ( 6.364 0.000 -10.495) 12.274 3.624 ( 10.261 -0.000 7.801) 12.890 3.687 ( -2.796 0.000 3.116) 4.187 4.221 ( 8.976 0.000 7.437) 11.656 4.406 ( -14.343 0.000 -9.764) 17.351 4.781 ( 6.103 -0.000 -0.456) 6.120 4.797 ( -1.756 0.000 -1.958) 2.630 5.684 ( -3.629 0.000 7.124) 7.995 5.778 ( 2.526 0.000 -1.129) 2.767 6.022 ( 8.924 0.000 2.649) 9.309 6.111 ( -4.609 -0.000 -7.159) 8.514 6.740 ( -9.586 -0.000 2.611) 9.936 6.789 ( 7.828 0.000 -1.052) 7.898 6.910 ( -5.307 -0.000 1.115) 5.423 6.943 ( -1.559 0.000 -0.187) 1.571 7.056 ( -3.824 -0.000 -2.759) 4.715 7.065 ( 1.956 0.000 -1.780) 2.645 7.647 ( 0.647 0.000 8.787) 8.810 7.753 ( -3.909 0.000 -0.912) 4.014 8.000 ( 10.791 -0.000 1.271) 10.865 8.054 ( -2.093 0.000 -4.299) 4.782 8.675 ( -5.293 -0.000 2.270) 5.759 8.715 ( 3.168 0.000 -1.662) 3.578 9.035 ( 2.684 -0.000 11.062) 11.383 9.254 ( -9.645 0.000 -10.796) 14.477 9.474 ( -2.663 -0.000 6.134) 6.687 9.618 ( 7.676 0.000 -8.475) 11.435 10.030 ( 8.103 -0.000 1.054) 8.171 10.053 ( -8.576 0.000 -1.571) 8.718 10.610 ( 12.178 0.000 18.311) 21.991 10.970 ( -10.856 0.000 -18.268) 21.250 12.361 ( -6.690 0.000 3.169) 7.402 12.377 ( 8.110 -0.000 1.564) 8.260 13.042 ( -0.886 0.000 9.884) 9.924 13.281 ( 1.855 0.000 -15.981) 16.088======================= Grid point 680 (336/355) =======================q-point: (-0.42 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -5.430 1.943 12.009) 13.322 2.109 ( -6.213 -2.915 0.979) 6.933 2.345 ( 5.187 3.718 -2.579) 6.883 2.460 ( 2.609 -2.883 -8.697) 9.527 2.524 ( 5.072 1.329 8.438) 9.935 2.627 ( 13.863 -2.416 9.753) 17.121 2.939 ( 9.816 0.676 2.960) 10.275 3.204 ( 9.229 1.902 -9.598) 13.450 3.639 ( -0.306 1.514 -5.837) 6.038 3.830 ( 9.059 1.325 0.404) 9.164 4.146 ( -9.529 -1.041 -6.464) 11.561 4.380 ( 5.975 0.557 14.262) 15.473 4.718 ( -5.892 -0.267 -6.391) 8.697 4.870 ( 5.285 0.740 -2.818) 6.035 5.600 ( -4.904 -0.576 7.916) 9.329 5.765 ( -5.366 -0.389 0.397) 5.395 5.991 ( -7.712 0.771 -15.290) 17.142 6.134 ( 3.342 0.134 2.348) 4.087 6.605 ( -0.890 0.310 8.661) 8.713 6.774 ( -8.089 1.623 -1.610) 8.406 6.937 ( -0.414 1.828 3.511) 3.980 7.033 ( 14.769 0.072 7.570) 16.596 7.048 ( 3.462 1.710 -0.112) 3.863 7.138 ( 4.722 -3.180 1.043) 5.787 7.619 ( -8.206 1.606 2.447) 8.713 7.707 ( 2.113 -6.071 5.653) 8.560 8.042 ( 1.775 -0.438 -12.597) 12.729 8.191 ( 7.962 -1.959 -2.467) 8.562 8.577 ( -5.093 -0.045 3.992) 6.471 8.759 ( 1.942 0.782 0.213) 2.104 9.066 ( -7.312 1.984 -3.493) 8.343 9.110 ( 1.307 -3.352 13.579) 14.048 9.457 ( 0.519 1.235 2.559) 2.888 9.750 ( 5.582 -0.725 -7.839) 9.651 9.881 ( -8.196 -1.296 -3.895) 9.166 10.154 ( 4.600 -0.625 1.522) 4.885 10.732 ( -11.087 2.215 -16.903) 20.336 10.855 ( 10.650 -2.242 14.605) 18.214 12.173 ( -13.058 1.226 0.622) 13.130 12.481 ( 3.421 1.171 -0.200) 3.621 13.060 ( 1.938 0.201 8.481) 8.702 13.297 ( 1.500 0.967 -14.751) 14.859======================= Grid point 681 (337/355) =======================q-point: (-0.33 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.828 ( -0.723 5.185 9.577) 10.914 2.086 ( 1.549 -7.225 -4.051) 8.427 2.374 ( 1.789 4.331 -1.543) 4.934 2.463 ( -0.060 -2.361 -9.509) 9.798 2.673 ( 8.618 3.411 17.849) 20.112 2.964 ( 13.877 1.462 6.931) 15.580 3.181 ( 13.396 4.294 -1.055) 14.107 3.283 ( 4.153 2.025 0.027) 4.621 3.654 ( -0.298 -0.786 -7.307) 7.355 3.788 ( -8.151 -6.001 -12.391) 16.000 4.250 ( 16.113 1.675 3.043) 16.483 4.491 ( 6.902 2.933 7.226) 10.414 4.616 ( -2.757 -4.311 -8.063) 9.550 5.006 ( 9.271 0.686 0.405) 9.306 5.515 ( -9.994 2.613 1.193) 10.398 5.569 ( -9.574 -2.456 4.428) 10.831 5.843 ( -4.874 1.171 -13.333) 14.244 6.163 ( -0.036 0.608 3.324) 3.379 6.555 ( -11.524 3.605 -4.024) 12.727 6.721 ( 8.052 -1.333 12.359) 14.810 6.917 ( -0.338 3.944 6.421) 7.543 7.145 ( 7.689 3.950 3.052) 9.167 7.250 ( 6.239 -4.853 3.423) 8.614 7.341 ( 13.879 0.318 10.559) 17.442 7.431 ( -10.320 -2.500 0.414) 10.626 7.823 ( 5.428 -7.282 3.807) 9.848 8.089 ( 3.582 -0.833 -14.806) 15.256 8.286 ( 1.149 -2.215 -7.305) 7.720 8.502 ( -3.560 -1.437 3.175) 4.982 8.792 ( 1.617 -0.553 2.433) 2.974 8.939 ( -4.149 1.286 -0.866) 4.429 9.126 ( -3.962 -3.040 10.813) 11.910 9.494 ( 4.461 4.498 5.071) 8.114 9.693 ( -6.216 -2.059 0.924) 6.613 9.893 ( 4.474 -0.785 -10.292) 11.249 10.219 ( 1.736 -1.654 1.860) 3.035 10.489 ( -11.116 3.026 -17.033) 20.563 11.071 ( 8.924 -2.762 12.964) 15.980 11.871 ( -16.838 2.525 -3.356) 17.354 12.497 ( -0.903 1.963 -2.077) 2.997 13.119 ( 3.339 0.240 6.723) 7.510 13.307 ( 1.681 1.292 -11.253) 11.451======================= Grid point 682 (338/355) =======================q-point: (-0.25 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 2.160 6.080 8.474) 10.651 2.190 ( 5.037 -3.802 -9.751) 11.615 2.417 ( 4.454 2.679 5.706) 7.718 2.453 ( -1.442 -0.578 -2.602) 3.030 2.795 ( 4.820 4.926 13.596) 15.243 3.012 ( 0.132 8.632 -12.160) 14.913 3.349 ( 2.221 1.654 1.887) 3.351 3.411 ( 4.190 2.800 7.897) 9.368 3.652 ( 5.872 -6.127 4.519) 9.615 3.744 ( 0.097 -10.356 -11.749) 15.662 4.476 ( 4.991 -0.122 -5.790) 7.645 4.655 ( 15.930 0.380 -1.597) 16.015 4.771 ( 13.410 -3.391 -2.450) 14.047 5.125 ( -8.748 2.453 1.888) 9.279 5.238 ( -0.171 -0.305 -9.560) 9.566 5.517 ( -2.016 1.698 14.944) 15.175 5.742 ( -4.489 2.509 -8.731) 10.133 6.136 ( -3.604 -0.045 2.275) 4.262 6.292 ( -11.979 3.001 -7.333) 14.362 6.883 ( -0.872 6.000 9.774) 11.502 6.925 ( 9.083 -2.525 12.908) 15.985 7.235 ( -5.916 -2.681 -1.500) 6.666 7.290 ( 5.717 1.720 3.718) 7.033 7.425 ( 8.845 -3.326 7.026) 11.776 7.600 ( 11.199 1.449 8.821) 14.329 7.980 ( 6.157 -8.108 3.469) 10.756 8.129 ( 0.818 0.838 -11.160) 11.222 8.279 ( -1.788 -6.197 -10.096) 11.980 8.456 ( -2.005 -0.609 1.882) 2.816 8.810 ( -1.335 -0.847 0.536) 1.669 8.892 ( -1.190 -1.890 -1.672) 2.790 9.026 ( -7.198 -1.254 6.687) 9.904 9.541 ( 2.638 5.029 5.315) 7.778 9.694 ( 4.515 -2.953 6.042) 8.100 9.928 ( 0.039 2.847 -6.625) 7.211 10.227 ( -5.531 -1.073 -2.898) 6.336 10.281 ( -3.790 2.257 -10.448) 11.342 11.199 ( -0.704 -1.796 6.399) 6.684 11.577 ( -8.689 1.691 -4.736) 10.039 12.425 ( -4.941 2.467 -3.125) 6.346 13.184 ( 2.877 0.152 5.694) 6.382 13.331 ( 2.295 0.943 -7.861) 8.243======================= Grid point 683 (339/355) =======================q-point: (-0.17 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 2.027 5.538 7.024) 9.171 2.234 ( -1.268 4.707 -8.456) 9.761 2.322 ( -5.517 3.255 -4.583) 7.877 2.595 ( 9.122 -2.019 10.040) 13.715 2.854 ( 2.960 2.492 8.933) 9.735 3.009 ( 3.995 3.799 -7.821) 9.569 3.282 ( -5.262 -3.120 -2.094) 6.466 3.409 ( -0.631 1.517 -0.814) 1.833 3.823 ( 3.215 -6.186 -4.982) 8.569 3.934 ( 15.135 -5.392 13.608) 21.055 4.596 ( 8.658 -2.054 -11.091) 14.219 4.771 ( -16.585 2.516 -5.098) 17.532 4.941 ( 12.022 0.435 -0.107) 12.030 5.059 ( 10.259 -3.934 -4.413) 11.841 5.362 ( 6.357 1.351 -3.342) 7.308 5.477 ( -1.749 2.533 15.304) 15.611 5.618 ( -5.842 4.104 -5.444) 8.978 5.948 ( -13.071 0.404 -8.045) 15.353 6.186 ( 0.511 0.882 0.884) 1.349 6.771 ( -8.900 2.060 8.399) 12.409 7.125 ( 8.931 -1.182 9.868) 13.362 7.189 ( 1.472 -1.008 -2.500) 3.071 7.412 ( 5.539 -0.476 6.379) 8.462 7.627 ( 10.117 0.425 9.893) 14.157 7.767 ( 6.861 0.406 1.681) 7.076 8.035 ( -4.464 2.919 -4.290) 6.845 8.171 ( 5.092 -7.406 6.858) 11.306 8.290 ( -0.412 -7.694 -11.269) 13.651 8.434 ( -0.738 0.878 1.439) 1.840 8.740 ( -5.071 1.064 -3.157) 6.067 8.896 ( -0.511 -4.909 -4.754) 6.853 8.944 ( -1.921 -3.791 8.307) 9.331 9.587 ( 3.599 5.592 5.332) 8.524 9.817 ( 3.763 2.266 4.661) 6.404 9.873 ( -0.285 1.118 -1.694) 2.050 10.054 ( -8.111 1.703 -10.880) 13.677 10.270 ( -0.523 -1.520 0.968) 1.876 11.027 ( -12.331 3.210 -8.927) 15.558 11.594 ( 6.090 -2.730 3.222) 7.411 12.292 ( -7.143 2.356 -3.196) 8.172 13.232 ( 1.673 -0.021 5.514) 5.763 13.363 ( 1.960 0.576 -6.029) 6.366======================= Grid point 684 (340/355) =======================q-point: (-0.08 0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 1.493 2.792 4.222) 5.277 2.067 ( -7.855 5.478 -2.772) 9.970 2.288 ( -0.165 0.524 -4.826) 4.857 2.722 ( 2.373 0.852 4.718) 5.349 2.911 ( 3.523 -1.124 8.607) 9.368 3.068 ( 2.261 2.304 -1.901) 3.746 3.253 ( 1.997 -1.593 -4.807) 5.443 3.432 ( 2.614 -2.549 -3.480) 5.044 3.887 ( 1.853 -3.684 -3.322) 5.296 4.249 ( 11.547 -0.322 12.485) 17.009 4.462 ( -10.076 -0.089 -2.739) 10.442 4.785 ( 9.383 -1.579 -10.003) 13.806 5.042 ( -3.143 1.058 6.454) 7.256 5.157 ( -2.111 -0.568 -6.753) 7.098 5.392 ( 1.413 1.097 -0.428) 1.839 5.509 ( 0.545 -0.868 -3.689) 3.828 5.545 ( 3.883 1.394 2.684) 4.922 5.717 ( -9.620 2.510 -4.749) 11.018 6.238 ( 4.808 0.220 1.966) 5.199 6.578 ( -10.389 0.796 4.329) 11.283 7.255 ( 4.081 -1.245 5.892) 7.275 7.293 ( 7.802 0.756 0.794) 7.879 7.497 ( 2.217 -0.417 3.983) 4.577 7.776 ( 2.968 0.648 10.589) 11.016 7.864 ( 0.792 -3.375 -0.507) 3.504 7.932 ( 0.761 4.278 -4.751) 6.438 8.263 ( -1.106 -0.748 4.604) 4.794 8.299 ( -0.233 -4.652 -10.631) 11.606 8.451 ( 3.423 -1.138 8.719) 9.436 8.640 ( -3.882 1.282 -0.804) 4.167 8.888 ( -2.289 -4.496 -6.061) 7.886 9.040 ( 7.172 -7.352 8.010) 13.025 9.564 ( -2.099 8.359 2.987) 9.121 9.745 ( -6.775 4.530 -8.895) 12.064 9.927 ( -0.536 -2.597 0.345) 2.674 9.989 ( 4.937 0.022 0.842) 5.008 10.271 ( 0.107 -1.763 4.529) 4.861 10.787 ( -9.166 4.895 -13.516) 17.049 11.746 ( 7.399 -3.153 3.641) 8.829 12.137 ( -7.609 1.906 -3.001) 8.398 13.259 ( 0.715 -0.221 5.715) 5.764 13.384 ( 0.969 0.411 -5.489) 5.589======================= Grid point 692 (341/355) =======================q-point: ( 0.58 -0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( -0.536 0.000 11.091) 11.104 2.042 ( 1.758 -0.000 -4.035) 4.402 2.403 ( 1.345 -0.000 -2.379) 2.733 2.445 ( 0.434 -0.000 -9.978) 9.988 2.692 ( 8.818 -0.000 17.343) 19.456 2.970 ( 16.462 -0.000 10.208) 19.370 3.203 ( 14.861 -0.000 2.296) 15.037 3.297 ( 1.836 -0.000 -5.646) 5.937 3.653 ( 0.613 -0.000 -8.118) 8.141 3.751 ( -11.725 0.000 -12.780) 17.344 4.259 ( 16.598 -0.000 2.976) 16.862 4.511 ( 8.389 -0.000 10.369) 13.337 4.589 ( -5.172 0.000 -10.646) 11.836 5.010 ( 9.232 -0.000 0.131) 9.233 5.542 ( -2.090 0.000 12.379) 12.554 5.543 ( -16.958 0.000 -5.346) 17.781 5.849 ( -4.828 0.000 -14.002) 14.811 6.167 ( 0.027 -0.000 3.187) 3.187 6.576 ( -12.594 0.000 -4.451) 13.358 6.712 ( 8.738 -0.000 13.225) 15.851 6.939 ( -0.212 0.000 6.699) 6.702 7.181 ( 9.245 -0.000 3.164) 9.771 7.209 ( 4.457 -0.000 3.146) 5.455 7.344 ( 15.234 -0.000 10.996) 18.788 7.417 ( -11.519 0.000 -0.083) 11.519 7.784 ( 5.820 -0.000 3.769) 6.934 8.084 ( 3.730 -0.000 -16.036) 16.464 8.274 ( 1.144 -0.000 -7.560) 7.646 8.495 ( -3.658 0.000 4.188) 5.561 8.789 ( 1.349 -0.000 1.865) 2.302 8.947 ( -4.809 0.000 -0.734) 4.864 9.109 ( -3.014 0.000 11.340) 11.734 9.519 ( 5.150 -0.000 5.358) 7.432 9.680 ( -7.380 0.000 0.608) 7.405 9.889 ( 5.478 -0.000 -10.577) 11.912 10.210 ( 1.557 -0.000 2.000) 2.534 10.505 ( -11.029 0.000 -18.195) 21.277 11.056 ( 8.965 -0.000 14.240) 16.827 11.884 ( -16.910 0.000 -2.955) 17.166 12.507 ( -0.959 0.000 -2.339) 2.528 13.120 ( 3.302 -0.000 6.905) 7.654 13.314 ( 1.502 -0.000 -11.613) 11.710======================= Grid point 694 (342/355) =======================q-point: (-0.33 0.58 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 1.406 2.837 9.906) 10.400 2.154 ( 7.964 -2.366 -6.357) 10.461 2.438 ( 3.807 1.261 4.515) 6.039 2.448 ( -0.866 -0.358 -4.697) 4.790 2.836 ( 5.095 2.416 14.491) 15.549 3.084 ( -0.840 4.301 -13.416) 14.113 3.346 ( -4.659 -0.965 1.923) 5.132 3.443 ( 9.421 2.114 9.535) 13.570 3.614 ( 2.855 -0.836 1.916) 3.539 3.655 ( 3.094 -6.227 -11.591) 13.517 4.472 ( 2.965 -0.358 -7.725) 8.282 4.665 ( 16.656 1.026 -1.498) 16.755 4.742 ( 13.848 -1.761 -0.902) 13.989 5.142 ( -9.309 0.801 2.116) 9.580 5.236 ( -0.002 -0.089 -8.875) 8.875 5.529 ( -1.077 0.644 15.863) 15.912 5.759 ( -4.094 0.806 -9.389) 10.275 6.138 ( -4.127 0.184 2.219) 4.690 6.315 ( -12.262 1.238 -7.440) 14.396 6.899 ( 3.944 -1.102 12.381) 13.041 6.936 ( 3.275 2.529 11.508) 12.229 7.217 ( -6.487 -0.750 -3.275) 7.306 7.292 ( 4.147 -0.768 4.691) 6.308 7.408 ( 11.962 -0.286 7.311) 14.022 7.611 ( 11.364 0.626 9.368) 14.740 7.918 ( 7.219 -3.202 3.569) 8.667 8.137 ( 2.797 0.530 -16.010) 16.261 8.231 ( -4.383 -2.575 -7.992) 9.472 8.452 ( -1.207 -0.121 2.598) 2.867 8.804 ( -0.776 -0.268 0.171) 0.838 8.879 ( -2.509 -0.594 -0.961) 2.751 9.016 ( -7.044 -0.553 6.625) 9.686 9.588 ( 0.556 3.551 3.749) 5.194 9.660 ( 6.376 -2.956 7.645) 10.384 9.950 ( 1.371 1.251 -6.694) 6.946 10.214 ( -2.855 -0.844 -0.023) 2.978 10.302 ( -6.846 1.209 -14.583) 16.155 11.184 ( 0.914 -0.841 8.957) 9.042 11.590 ( -10.346 0.724 -5.206) 11.605 12.443 ( -5.112 0.851 -3.574) 6.295 13.185 ( 2.809 0.081 5.936) 6.567 13.338 ( 2.051 0.348 -8.308) 8.564======================= Grid point 695 (343/355) =======================q-point: (-0.25 0.58 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.890 ( 0.600 3.055 8.645) 9.189 2.261 ( 2.107 1.101 -8.077) 8.419 2.360 ( -7.097 3.304 -1.582) 7.987 2.579 ( 9.675 -1.047 8.877) 13.172 2.889 ( 1.614 3.661 9.812) 10.597 3.055 ( 2.660 4.920 -11.321) 12.628 3.232 ( -4.924 -6.143 -4.708) 9.173 3.409 ( -5.428 -1.109 -1.634) 5.776 3.783 ( 5.544 -1.912 -4.412) 7.338 3.890 ( 17.361 -3.022 16.879) 24.402 4.577 ( 9.022 -1.444 -11.999) 15.082 4.793 ( -17.125 1.634 -5.758) 18.141 4.951 ( 12.128 1.489 0.686) 12.238 5.017 ( 10.634 -3.765 -4.888) 12.294 5.375 ( 7.391 0.988 -1.871) 7.688 5.499 ( -3.282 1.521 15.764) 16.173 5.652 ( -5.724 2.309 -4.668) 7.738 5.950 ( -12.650 0.072 -7.927) 14.929 6.198 ( -0.134 1.147 -0.424) 1.230 6.781 ( -10.459 0.049 6.243) 12.181 7.117 ( 8.514 -0.452 13.176) 15.693 7.193 ( 3.978 1.599 -2.464) 4.945 7.384 ( 3.705 -3.890 5.581) 7.746 7.648 ( 12.329 2.898 9.931) 16.095 7.770 ( 5.392 -0.004 1.442) 5.582 8.063 ( -2.837 2.247 -3.764) 5.221 8.112 ( 5.302 -3.522 7.877) 10.128 8.216 ( 0.849 -6.264 -13.247) 14.678 8.442 ( -0.676 0.533 -0.218) 0.888 8.751 ( -4.000 0.879 -3.711) 5.527 8.856 ( -0.968 -2.681 -3.107) 4.217 8.911 ( -3.683 -2.330 8.168) 9.258 9.634 ( 4.692 3.316 5.703) 8.095 9.813 ( 6.998 -1.505 7.996) 10.732 9.904 ( -4.066 3.319 -3.536) 6.328 10.068 ( -8.496 0.966 -11.737) 14.522 10.257 ( -0.558 -1.052 -0.556) 1.315 11.051 ( -11.462 1.527 -7.443) 13.752 11.572 ( 5.472 -1.421 3.241) 6.516 12.311 ( -7.475 1.272 -3.580) 8.385 13.232 ( 1.589 0.029 5.708) 5.925 13.368 ( 1.816 0.329 -6.340) 6.604======================= Grid point 696 (344/355) =======================q-point: (-0.17 0.58 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -1.457 0.950 5.874) 6.127 2.133 ( -8.633 6.903 -1.328) 11.133 2.282 ( -2.404 -1.607 -3.051) 4.203 2.736 ( 4.666 1.396 2.905) 5.671 2.910 ( 2.621 1.059 8.503) 8.961 3.102 ( 3.436 4.245 -3.035) 6.248 3.225 ( 1.341 -3.570 -5.816) 6.955 3.380 ( 1.250 -6.835 -4.572) 8.317 3.867 ( 4.138 -0.570 -2.620) 4.931 4.245 ( 15.786 -0.317 15.801) 22.338 4.467 ( -13.694 0.832 -4.559) 14.457 4.769 ( 9.728 -1.349 -10.463) 14.350 5.050 ( -3.893 0.562 7.183) 8.190 5.146 ( 1.151 -1.244 -8.315) 8.486 5.406 ( -0.870 1.526 2.000) 2.662 5.496 ( 0.355 -1.528 -2.927) 3.321 5.564 ( 1.240 2.115 1.975) 3.148 5.738 ( -8.738 1.501 -4.326) 9.865 6.246 ( 5.547 1.095 0.503) 5.676 6.580 ( -10.474 -0.310 2.365) 10.743 7.242 ( 3.938 -1.275 8.748) 9.678 7.313 ( 8.203 3.216 1.151) 8.886 7.474 ( 2.722 -3.837 4.381) 6.429 7.772 ( -3.098 -1.638 1.885) 3.979 7.858 ( 5.526 2.563 4.039) 7.309 7.970 ( 0.994 2.480 -2.253) 3.495 8.244 ( -0.874 -3.830 -9.636) 10.406 8.269 ( 4.840 0.460 5.594) 7.411 8.430 ( 1.616 -2.946 5.026) 6.046 8.660 ( -3.971 2.317 -2.650) 5.307 8.846 ( -1.283 -3.136 -4.883) 5.943 8.969 ( 6.217 -6.054 9.810) 13.097 9.647 ( -2.987 7.363 3.813) 8.813 9.788 ( -6.760 3.742 -6.854) 10.328 9.894 ( -0.772 -3.624 0.055) 3.705 9.991 ( 4.557 0.228 -0.142) 4.565 10.255 ( -0.105 -1.415 2.965) 3.287 10.829 ( -8.992 3.176 -13.986) 16.928 11.718 ( 7.698 -2.205 4.416) 9.145 12.153 ( -7.966 1.254 -3.049) 8.621 13.258 ( 0.641 -0.115 5.840) 5.877 13.388 ( 0.909 0.286 -5.639) 5.719======================= Grid point 697 (345/355) =======================q-point: (-0.08 -0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.831 ( -4.627 -4.359 3.145) 7.092 1.995 ( -1.696 4.479 0.612) 4.829 2.225 ( -4.957 -4.774 1.015) 6.956 2.776 ( 2.589 4.404 -0.285) 5.116 3.002 ( 5.968 -0.246 2.476) 6.466 3.090 ( -1.141 4.014 -1.534) 4.446 3.269 ( -0.604 -3.143 -2.261) 3.918 3.461 ( 2.699 -4.766 -6.110) 8.205 3.941 ( 1.964 4.973 -0.899) 5.422 4.206 ( -3.871 -1.162 -2.177) 4.590 4.583 ( 9.806 -1.045 14.538) 17.567 4.814 ( -11.857 -0.160 -3.405) 12.337 4.946 ( 3.149 -0.884 1.116) 3.456 5.109 ( -0.776 1.578 -7.246) 7.456 5.402 ( -1.353 -1.387 -0.070) 1.939 5.496 ( -0.754 -2.566 -0.299) 2.691 5.569 ( -6.885 2.657 2.980) 7.959 5.641 ( 3.967 -0.565 -4.654) 6.141 6.356 ( 0.115 2.953 0.178) 2.960 6.445 ( 3.023 0.066 0.907) 3.157 7.303 ( 0.551 -1.078 5.380) 5.515 7.409 ( 0.031 -0.510 1.327) 1.422 7.498 ( -0.275 0.855 -1.001) 1.345 7.717 ( -0.825 -6.384 6.376) 9.061 7.909 ( 2.087 4.784 1.061) 5.326 8.026 ( 2.720 4.895 -3.805) 6.770 8.200 ( -1.866 -3.763 -1.878) 4.601 8.302 ( 0.267 2.773 -4.024) 4.894 8.555 ( 5.662 0.187 11.044) 12.412 8.594 ( -0.399 -1.366 2.035) 2.483 8.826 ( -1.842 -0.862 -7.628) 7.894 9.182 ( 10.471 -7.325 10.588) 16.595 9.531 ( -4.562 2.017 2.289) 5.488 9.570 ( -11.197 4.846 -11.050) 16.461 9.945 ( 2.102 -2.190 1.850) 3.555 10.052 ( 0.712 0.944 -1.206) 1.689 10.303 ( 4.205 -2.266 7.127) 8.579 10.657 ( -5.766 3.614 -14.474) 15.994 11.877 ( 6.983 -1.533 3.128) 7.803 12.002 ( -6.574 0.670 -2.237) 6.976 13.270 ( 0.085 -0.235 5.821) 5.827 13.389 ( -0.069 0.246 -5.527) 5.533======================= Grid point 706 (346/355) =======================q-point: ( 0.67 -0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( -0.068 0.000 9.063) 9.063 2.266 ( 2.971 -0.000 -7.346) 7.924 2.378 ( -6.798 0.000 -0.403) 6.810 2.573 ( 9.666 -0.000 7.927) 12.501 2.912 ( 0.995 -0.000 11.351) 11.394 3.093 ( 3.500 -0.000 -14.973) 15.377 3.185 ( -6.136 0.000 -5.072) 7.960 3.400 ( -7.211 0.000 -1.488) 7.362 3.775 ( 6.142 -0.000 -4.236) 7.461 3.874 ( 18.439 -0.000 18.252) 25.945 4.569 ( 9.259 -0.000 -12.279) 15.379 4.802 ( -17.563 0.000 -6.180) 18.619 4.965 ( 11.985 -0.000 3.701) 12.544 4.991 ( 11.062 -0.000 -7.643) 13.446 5.380 ( 7.829 -0.000 -1.332) 7.942 5.507 ( -3.909 0.000 15.928) 16.401 5.664 ( -5.561 0.000 -4.309) 7.035 5.951 ( -12.599 0.000 -8.025) 14.938 6.205 ( -0.356 0.000 -0.905) 0.973 6.780 ( -10.794 0.000 5.324) 12.036 7.115 ( 7.851 -0.000 14.368) 16.373 7.207 ( 5.512 -0.000 -2.305) 5.974 7.358 ( 2.912 -0.000 5.300) 6.047 7.667 ( 13.342 -0.000 10.318) 16.866 7.769 ( 4.438 -0.000 1.051) 4.561 8.072 ( 4.292 -0.000 1.909) 4.697 8.101 ( -2.241 0.000 4.673) 5.183 8.177 ( 2.428 -0.000 -15.943) 16.127 8.445 ( -0.699 0.000 -0.920) 1.155 8.756 ( -3.474 0.000 -3.793) 5.144 8.842 ( -1.151 0.000 -2.513) 2.764 8.899 ( -4.428 0.000 8.112) 9.242 9.652 ( 4.973 -0.000 5.714) 7.575 9.804 ( 7.164 -0.000 8.372) 11.018 9.923 ( -4.314 0.000 -3.252) 5.402 10.073 ( -8.566 0.000 -11.922) 14.681 10.251 ( -0.642 0.000 -1.220) 1.379 11.059 ( -11.076 0.000 -6.843) 13.019 11.565 ( 5.185 -0.000 3.183) 6.084 12.318 ( -7.590 0.000 -3.709) 8.448 13.232 ( 1.554 -0.000 5.781) 5.987 13.370 ( 1.763 -0.000 -6.456) 6.693======================= Grid point 708 (347/355) =======================q-point: (-0.25 0.67 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( -3.135 0.186 6.316) 7.054 2.200 ( -8.252 5.568 0.791) 9.986 2.255 ( -4.737 -3.474 -2.552) 6.405 2.746 ( 6.445 0.446 1.788) 6.704 2.927 ( 1.646 1.434 9.443) 9.692 3.149 ( 4.179 4.135 -3.907) 7.059 3.189 ( 2.316 -2.916 -7.378) 8.264 3.312 ( -0.511 -4.868 -5.224) 7.159 3.867 ( 5.208 0.119 -1.977) 5.572 4.243 ( 17.645 -0.057 17.194) 24.637 4.475 ( -15.225 0.491 -5.381) 16.156 4.759 ( 10.102 -0.571 -10.669) 14.704 5.054 ( -4.689 0.133 7.874) 9.166 5.136 ( 3.375 -0.587 -9.452) 10.054 5.421 ( -3.238 1.124 4.719) 5.832 5.480 ( 0.711 -1.141 -3.576) 3.821 5.582 ( 0.107 0.987 1.510) 1.808 5.748 ( -8.081 0.475 -4.303) 9.168 6.256 ( 5.942 0.606 -0.444) 5.990 6.576 ( -10.391 -0.315 1.330) 10.481 7.231 ( 3.965 -0.578 10.022) 10.793 7.356 ( 8.703 4.645 1.826) 10.033 7.425 ( 3.192 -5.090 4.470) 7.488 7.756 ( -6.768 -0.868 -2.846) 7.393 7.894 ( 9.009 2.962 8.646) 12.833 7.978 ( -0.657 -0.468 -2.251) 2.391 8.214 ( 1.864 -1.606 -13.482) 13.705 8.285 ( 8.900 1.797 12.847) 15.731 8.396 ( -3.216 -2.758 -0.827) 4.317 8.681 ( -3.747 1.233 -3.714) 5.418 8.827 ( -0.406 -0.750 -4.605) 4.684 8.921 ( 5.428 -2.706 11.878) 13.337 9.706 ( -3.538 3.434 5.120) 7.108 9.822 ( -5.696 2.937 -4.924) 8.082 9.856 ( -1.664 -3.611 -1.480) 4.242 9.993 ( 4.222 0.112 -0.783) 4.295 10.244 ( -0.134 -0.587 1.986) 2.075 10.851 ( -8.901 1.091 -14.259) 16.844 11.702 ( 7.869 -0.791 4.854) 9.280 12.162 ( -8.171 0.435 -3.062) 8.736 13.257 ( 0.593 -0.033 5.923) 5.952 13.390 ( 0.873 0.102 -5.735) 5.802======================= Grid point 709 (348/355) =======================q-point: (-0.17 -0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( -6.763 -2.418 3.470) 7.977 2.048 ( -4.008 5.511 2.136) 7.141 2.169 ( -6.059 -5.796 2.139) 8.653 2.821 ( 3.225 3.608 -2.187) 5.311 3.001 ( 6.022 0.104 3.122) 6.784 3.141 ( -1.256 5.201 -1.309) 5.509 3.230 ( -0.475 -3.988 -1.807) 4.404 3.402 ( 4.130 -5.677 -7.240) 10.084 3.993 ( 7.660 4.364 -2.339) 9.120 4.191 ( -9.067 -1.439 -1.985) 9.392 4.579 ( 10.987 -0.017 15.883) 19.313 4.813 ( -11.302 -0.011 -2.543) 11.585 4.938 ( 2.467 -0.591 1.115) 2.771 5.122 ( -0.630 0.803 -8.181) 8.244 5.387 ( -2.155 -1.251 0.952) 2.668 5.471 ( -0.890 -1.984 -0.842) 2.332 5.595 ( -7.259 2.063 2.378) 7.912 5.638 ( 3.154 -0.058 -3.424) 4.656 6.386 ( -2.128 2.711 -0.263) 3.457 6.440 ( 6.467 -0.919 -0.872) 6.590 7.293 ( 1.133 -0.750 6.010) 6.162 7.404 ( -3.122 -0.386 1.905) 3.678 7.521 ( 0.578 3.665 0.297) 3.722 7.643 ( 0.429 -7.345 3.620) 8.200 7.954 ( 2.149 4.380 -3.286) 5.883 8.072 ( 5.564 1.099 5.215) 7.704 8.173 ( -5.099 0.376 -7.736) 9.273 8.325 ( 1.944 1.671 -3.298) 4.177 8.526 ( 8.580 -4.378 14.461) 17.375 8.601 ( -3.199 1.349 -2.057) 4.035 8.823 ( 0.291 0.439 -7.282) 7.301 9.116 ( 10.588 -5.099 12.942) 17.481 9.549 ( -8.799 1.355 1.213) 8.985 9.618 ( -10.526 3.827 -9.428) 14.640 9.923 ( 3.207 -1.836 2.405) 4.409 10.059 ( 0.948 0.520 -1.306) 1.696 10.284 ( 4.290 -1.375 6.578) 7.972 10.686 ( -6.403 1.860 -15.850) 17.196 11.864 ( 8.081 -0.874 3.962) 9.042 12.007 ( -7.489 0.363 -2.309) 7.846 13.269 ( 0.085 -0.114 5.890) 5.892 13.391 ( -0.124 0.134 -5.577) 5.579======================= Grid point 710 (349/355) =======================q-point: (-0.08 -0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( -5.744 -7.530 5.110) 10.762 1.982 ( -2.956 -1.561 0.582) 3.394 2.124 ( -0.803 -3.393 4.509) 5.700 2.835 ( 0.288 3.107 -1.106) 3.310 3.041 ( -7.249 5.296 3.546) 9.652 3.149 ( 8.894 0.104 -5.543) 10.481 3.207 ( -2.078 -2.548 -6.224) 7.039 3.433 ( -3.318 -3.495 -7.477) 8.896 3.941 ( -3.164 7.938 4.864) 9.833 4.297 ( 10.661 -4.058 -2.957) 11.784 4.553 ( -11.587 1.955 -1.818) 11.890 4.617 ( -6.435 0.967 9.904) 11.850 4.998 ( 0.409 -1.660 3.097) 3.537 5.206 ( 7.328 0.666 -6.498) 9.817 5.320 ( -6.128 -1.107 1.644) 6.440 5.427 ( -7.145 1.464 5.081) 8.889 5.489 ( 2.016 -3.499 4.500) 6.046 5.696 ( 2.787 -1.602 -6.443) 7.200 6.275 ( -4.606 1.817 1.581) 5.198 6.682 ( 15.150 2.192 -4.413) 15.931 7.230 ( -9.301 -0.020 1.583) 9.435 7.316 ( -2.873 -2.932 0.134) 4.107 7.509 ( -0.632 -1.520 2.592) 3.070 7.750 ( 3.225 -1.305 4.815) 5.940 7.946 ( -1.776 0.800 -7.248) 7.505 8.011 ( -5.197 6.412 -0.981) 8.312 8.197 ( 3.302 -2.182 4.013) 5.636 8.352 ( 3.285 4.988 -2.523) 6.484 8.572 ( 0.643 -1.673 -2.709) 3.248 8.705 ( 6.976 -0.616 12.981) 14.749 8.803 ( -0.826 4.399 -8.103) 9.257 9.331 ( 1.149 -1.109 -0.101) 1.600 9.379 ( -3.989 -0.630 1.576) 4.335 9.470 ( -0.520 -4.295 3.231) 5.400 9.955 ( -0.896 0.195 0.773) 1.200 10.031 ( -2.384 0.115 -2.155) 3.216 10.408 ( 5.655 0.953 4.813) 7.487 10.586 ( -0.309 -1.330 -10.561) 10.649 11.854 ( -6.849 1.394 -2.532) 7.434 12.036 ( 7.762 -1.693 3.225) 8.574 13.270 ( -0.634 -0.094 5.440) 5.478 13.374 ( -1.120 0.038 -5.502) 5.615======================= Grid point 720 (350/355) =======================q-point: (-0.25 -0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( -7.472 0.000 3.551) 8.273 2.105 ( -3.464 0.000 7.003) 7.813 2.110 ( -7.865 0.000 -1.776) 8.063 2.841 ( 3.621 -0.000 -3.208) 4.838 3.002 ( 5.539 -0.000 4.265) 6.990 3.181 ( -0.542 0.000 -6.402) 6.425 3.198 ( -1.483 0.000 3.924) 4.195 3.367 ( 5.262 -0.000 -8.598) 10.081 4.018 ( 11.274 -0.000 -2.912) 11.644 4.182 ( -12.520 0.000 -1.826) 12.653 4.579 ( 11.410 -0.000 16.339) 19.929 4.814 ( -11.061 0.000 -2.157) 11.270 4.935 ( 2.158 -0.000 1.085) 2.415 5.126 ( -0.416 0.000 -8.556) 8.566 5.380 ( -2.668 0.000 1.382) 3.005 5.460 ( -0.945 0.000 -1.095) 1.446 5.607 ( -7.782 0.000 2.099) 8.060 5.638 ( 3.347 -0.000 -2.934) 4.451 6.404 ( -7.675 0.000 0.671) 7.704 6.432 ( 12.440 -0.000 -2.603) 12.709 7.289 ( 1.366 -0.000 6.230) 6.378 7.402 ( -4.242 0.000 2.136) 4.750 7.570 ( -8.351 0.000 0.783) 8.387 7.574 ( 10.156 -0.000 2.616) 10.487 7.986 ( 1.089 -0.000 -5.536) 5.642 8.061 ( 6.381 -0.000 6.966) 9.447 8.188 ( -4.988 0.000 -8.118) 9.528 8.335 ( 1.591 -0.000 -3.324) 3.685 8.497 ( 9.846 -0.000 15.052) 17.986 8.608 ( -3.694 0.000 -2.396) 4.403 8.828 ( 1.128 -0.000 -7.569) 7.652 9.087 ( 10.607 -0.000 14.407) 17.891 9.556 ( -9.984 0.000 1.081) 10.042 9.639 ( -10.755 0.000 -9.143) 14.116 9.913 ( 3.845 -0.000 2.715) 4.707 10.062 ( 1.032 -0.000 -1.331) 1.684 10.276 ( 4.319 -0.000 6.301) 7.639 10.696 ( -6.628 0.000 -16.315) 17.610 11.860 ( 8.435 -0.000 4.251) 9.445 12.009 ( -7.775 0.000 -2.316) 8.112 13.268 ( 0.085 -0.000 5.919) 5.920 13.392 ( -0.144 0.000 -5.599) 5.601======================= Grid point 721 (351/355) =======================q-point: (-0.17 -0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( -7.396 -2.705 5.553) 9.636 1.970 ( -6.231 -0.606 1.703) 6.488 2.100 ( 1.356 -1.183 4.678) 5.012 2.861 ( -1.045 1.460 -0.513) 1.867 3.086 ( -8.438 2.675 4.789) 10.064 3.153 ( 9.343 0.560 -4.065) 10.204 3.182 ( -0.270 -1.948 -8.503) 8.727 3.400 ( -2.383 -2.202 -9.325) 9.873 4.006 ( -4.173 3.830 5.099) 7.621 4.261 ( 11.394 -2.245 -4.154) 12.334 4.569 ( -10.810 0.885 -1.849) 11.002 4.625 ( -6.027 0.464 11.576) 13.059 4.984 ( 0.867 -0.819 3.306) 3.515 5.212 ( 5.865 0.394 -8.158) 10.056 5.311 ( -4.947 -0.547 2.345) 5.502 5.442 ( -6.276 1.400 5.034) 8.167 5.459 ( 0.286 -2.156 4.909) 5.370 5.685 ( 2.212 -0.509 -6.158) 6.563 6.288 ( -4.467 0.669 1.600) 4.792 6.698 ( 15.262 0.777 -6.155) 16.475 7.232 ( -10.391 0.239 1.307) 10.476 7.294 ( -1.828 -1.230 1.921) 2.923 7.498 ( -1.871 -0.580 3.174) 3.729 7.739 ( 5.581 -0.701 3.044) 6.395 7.959 ( -3.514 1.144 -6.906) 7.832 8.048 ( -7.270 1.005 -4.263) 8.488 8.189 ( 6.586 0.355 7.805) 10.218 8.388 ( 3.622 1.872 -4.114) 5.793 8.559 ( -0.522 -0.675 -2.384) 2.532 8.691 ( 8.307 -1.200 14.678) 16.908 8.841 ( 1.081 2.254 -10.216) 10.517 9.304 ( 7.850 -2.028 9.591) 12.558 9.388 ( -7.022 0.753 -0.042) 7.062 9.444 ( -6.447 -0.965 -2.834) 7.108 9.956 ( 0.140 0.026 1.522) 1.528 10.032 ( -2.952 -0.008 -2.587) 3.925 10.415 ( 8.722 0.313 8.168) 11.954 10.576 ( -3.919 -0.527 -14.884) 15.401 11.864 ( -7.124 0.571 -1.973) 7.414 12.023 ( 8.152 -0.685 3.139) 8.762 13.270 ( -0.576 -0.026 5.441) 5.472 13.374 ( -1.202 0.012 -5.495) 5.625======================= Grid point 722 (352/355) =======================q-point: (-0.08 -0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -4.211 -7.476 8.114) 11.809 1.891 ( -3.481 -3.751 7.010) 8.679 2.169 ( 4.750 -0.938 0.828) 4.912 2.761 ( -10.154 -0.132 4.592) 11.145 2.912 ( -6.222 3.672 -1.690) 7.420 3.110 ( -7.388 -0.770 -14.743) 16.509 3.335 ( 4.335 -0.791 -4.956) 6.632 3.340 ( 2.557 -1.080 -4.642) 5.409 3.961 ( -0.079 6.865 9.252) 11.521 4.220 ( -13.899 -0.745 -5.910) 15.122 4.492 ( -5.601 1.823 6.865) 9.046 4.620 ( 12.514 -1.420 1.153) 12.646 4.946 ( -6.374 0.540 1.796) 6.644 5.103 ( -13.662 0.997 -1.474) 13.777 5.215 ( -7.064 -1.191 5.595) 9.090 5.343 ( -0.037 -2.284 7.790) 8.118 5.640 ( 7.267 -2.201 -9.395) 12.080 5.769 ( 10.758 -1.091 4.797) 11.829 6.230 ( -1.320 1.503 0.906) 2.196 6.903 ( 2.251 -1.319 -13.110) 13.367 7.125 ( 3.980 2.486 8.569) 9.770 7.245 ( -3.826 -1.642 -1.821) 4.544 7.457 ( -3.946 -2.115 -2.540) 5.148 7.752 ( -4.882 1.606 1.880) 5.472 7.823 ( -8.831 1.531 -5.112) 10.318 7.947 ( -2.330 -1.740 0.418) 2.938 8.317 ( 6.733 4.410 7.671) 11.119 8.433 ( 2.721 3.337 -2.822) 5.149 8.587 ( 1.679 -1.797 -6.181) 6.652 8.801 ( -1.006 5.630 -5.604) 8.007 8.835 ( 4.370 0.213 11.916) 12.694 9.221 ( -6.039 1.959 -7.948) 10.173 9.377 ( 3.562 -3.229 2.819) 5.574 9.549 ( 6.725 -5.330 9.123) 12.524 9.917 ( -3.430 1.056 -0.795) 3.676 9.978 ( -2.335 -0.448 -1.112) 2.625 10.471 ( -0.235 5.312 -8.526) 10.048 10.680 ( 12.444 -7.095 6.609) 15.776 11.727 ( -6.867 0.899 -2.365) 7.318 12.176 ( 7.143 -0.957 2.065) 7.497 13.251 ( -1.952 0.092 4.664) 5.057 13.336 ( -2.310 -0.180 -5.324) 5.806======================= Grid point 733 (353/355) =======================q-point: (-0.17 -0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.526 ( -4.488 0.000 9.023) 10.078 1.872 ( -3.725 0.000 7.058) 7.981 2.164 ( 4.751 -0.000 0.932) 4.842 2.761 ( -10.763 0.000 5.042) 11.886 2.933 ( -6.195 0.000 -0.797) 6.246 3.104 ( -7.725 0.000 -15.347) 17.182 3.325 ( -2.119 0.000 -6.524) 6.859 3.340 ( 9.482 -0.000 -4.640) 10.557 3.999 ( 0.494 -0.000 9.750) 9.763 4.214 ( -13.511 0.000 -5.572) 14.615 4.503 ( -6.216 0.000 6.706) 9.143 4.613 ( 12.215 -0.000 0.752) 12.238 4.948 ( -5.818 0.000 2.248) 6.238 5.109 ( -13.020 0.000 -2.017) 13.176 5.208 ( -7.268 0.000 6.051) 9.457 5.331 ( -1.012 0.000 7.729) 7.795 5.629 ( 7.067 -0.000 -9.314) 11.691 5.763 ( 11.037 -0.000 4.841) 12.052 6.238 ( -1.312 0.000 0.902) 1.593 6.896 ( 0.945 -0.000 -13.607) 13.639 7.139 ( 5.610 -0.000 8.737) 10.383 7.236 ( -4.199 0.000 -1.515) 4.464 7.446 ( -3.927 0.000 -2.415) 4.610 7.759 ( -4.882 0.000 1.114) 5.007 7.833 ( -8.535 0.000 -5.489) 10.147 7.936 ( -3.002 0.000 1.027) 3.173 8.340 ( 7.370 -0.000 7.373) 10.425 8.456 ( 3.242 -0.000 -3.144) 4.516 8.574 ( 1.970 -0.000 -4.590) 4.995 8.828 ( 2.328 -0.000 -2.096) 3.133 8.838 ( 0.827 -0.000 7.625) 7.670 9.231 ( -7.469 0.000 -7.440) 10.542 9.363 ( 4.774 -0.000 0.758) 4.833 9.519 ( 6.944 -0.000 10.841) 12.874 9.923 ( -3.645 0.000 -1.240) 3.850 9.975 ( -2.129 0.000 -0.751) 2.257 10.507 ( -1.335 0.000 -12.709) 12.779 10.634 ( 13.089 -0.000 10.670) 16.887 11.732 ( -6.890 0.000 -1.987) 7.171 12.171 ( 7.172 -0.000 1.836) 7.403 13.252 ( -1.897 0.000 4.592) 4.968 13.335 ( -2.387 0.000 -5.260) 5.776======================= Grid point 734 (354/355) =======================q-point: (-0.08 -0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -0.137 -3.210 11.510) 11.950 1.857 ( 1.007 -2.360 13.881) 14.116 2.263 ( 5.142 -0.460 -0.744) 5.216 2.529 ( -12.616 -1.003 7.365) 14.643 2.826 ( -5.344 4.035 -8.877) 11.120 2.910 ( -9.875 -3.224 -11.402) 15.425 3.292 ( -1.809 -0.553 -9.209) 9.401 3.470 ( 3.458 -0.043 -0.858) 3.563 3.897 ( -18.132 1.032 -0.717) 18.176 4.009 ( -0.206 3.149 9.041) 9.575 4.405 ( -6.002 0.163 0.908) 6.073 4.733 ( -9.394 0.569 -2.923) 9.855 4.809 ( -15.728 0.783 3.126) 16.055 4.895 ( 10.223 -1.390 4.590) 11.292 5.072 ( -6.996 -0.849 7.556) 10.333 5.422 ( 7.781 -1.158 7.305) 10.735 5.687 ( 3.041 -0.948 -8.558) 9.132 6.056 ( 15.624 -0.542 5.671) 16.630 6.230 ( 0.576 0.631 -2.507) 2.648 6.812 ( -5.100 -1.331 -7.059) 8.810 7.130 ( -6.669 0.027 -4.757) 8.192 7.290 ( -3.013 -0.776 -3.975) 5.048 7.395 ( 7.898 1.197 -2.778) 8.458 7.599 ( -10.140 0.282 0.452) 10.154 7.662 ( -8.401 0.634 -3.711) 9.206 7.916 ( -1.220 -1.057 6.397) 6.598 8.446 ( 3.393 0.780 2.144) 4.089 8.497 ( 2.508 5.942 2.318) 6.854 8.557 ( -4.510 1.075 -7.724) 9.008 8.814 ( 1.001 -0.220 7.736) 7.804 8.924 ( 5.174 0.276 2.331) 5.681 9.112 ( -4.656 -1.928 -6.456) 8.190 9.531 ( 10.529 2.408 -2.101) 11.003 9.630 ( 4.174 -3.211 3.870) 6.535 9.842 ( -3.258 0.060 -1.218) 3.479 9.964 ( 0.602 -0.182 4.136) 4.184 10.487 ( 0.755 2.880 -9.404) 9.864 10.934 ( 15.535 -4.567 11.914) 20.104 11.603 ( -6.096 0.464 -2.327) 6.542 12.291 ( 5.147 -0.548 0.307) 5.185 13.204 ( -3.525 0.164 3.792) 5.180 13.276 ( -3.318 -0.280 -5.093) 6.085======================= Grid point 746 (355/355) =======================q-point: (-0.08 -0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 4.651 -0.000 14.007) 14.759 1.947 ( 7.817 -0.000 20.857) 22.274 2.325 ( -8.846 0.000 4.745) 10.039 2.348 ( 3.991 -0.000 -0.010) 3.991 2.709 ( -7.901 0.000 -5.241) 9.482 2.741 ( -4.834 0.000 -12.639) 13.532 3.227 ( -4.100 0.000 -15.181) 15.725 3.428 ( -8.331 0.000 0.925) 8.382 3.535 ( -19.616 0.000 8.417) 21.346 4.009 ( -4.096 0.000 2.481) 4.789 4.191 ( -13.196 0.000 -1.674) 13.302 4.556 ( -6.867 0.000 -7.367) 10.071 4.632 ( -3.002 0.000 6.343) 7.017 4.903 ( -7.480 0.000 4.509) 8.734 5.169 ( 13.454 -0.000 11.696) 17.827 5.599 ( 9.886 -0.000 3.719) 10.563 5.761 ( 5.027 -0.000 -1.852) 5.357 6.247 ( 1.581 -0.000 -6.505) 6.694 6.320 ( 11.513 -0.000 3.482) 12.028 6.727 ( -2.941 0.000 -5.107) 5.893 6.975 ( -8.852 0.000 -7.193) 11.406 7.151 ( -6.470 0.000 -7.809) 10.141 7.409 ( -9.624 0.000 2.012) 9.832 7.489 ( -9.803 0.000 -7.082) 12.093 7.608 ( 10.533 -0.000 -0.563) 10.548 7.883 ( -2.924 0.000 10.026) 10.444 8.445 ( -6.149 0.000 -1.142) 6.254 8.456 ( -1.851 0.000 -2.931) 3.466 8.593 ( 5.565 -0.000 6.932) 8.889 8.808 ( -2.356 0.000 4.045) 4.681 9.008 ( -5.342 0.000 -6.763) 8.618 9.070 ( 8.800 -0.000 1.868) 8.996 9.631 ( -0.918 0.000 -12.572) 12.605 9.703 ( 4.393 -0.000 2.759) 5.188 9.929 ( 11.992 -0.000 7.078) 13.925 9.985 ( 1.167 -0.000 6.027) 6.139 10.511 ( 2.041 -0.000 -8.517) 8.759 11.156 ( 4.010 -0.000 8.382) 9.292 11.557 ( 4.706 -0.000 2.399) 5.282 12.357 ( 1.767 -0.000 -2.041) 2.699 13.132 ( -4.173 0.000 3.178) 5.245 13.205 ( -3.475 0.000 -5.057) 6.136=================== 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 3/54432 10.0 468.704 1019.540 444.671 0.000 70.173 0.000 3/54432 20.0 132.606 175.897 133.437 0.000 31.332 0.000 3/54432 30.0 58.044 65.064 61.389 0.000 14.039 0.000 3/54432 40.0 33.959 34.443 36.288 0.000 8.038 0.000 3/54432 50.0 23.010 21.837 24.587 0.000 5.294 0.000 3/54432 60.0 17.024 15.394 18.126 0.000 3.808 0.000 3/54432 70.0 13.353 11.636 14.157 0.000 2.915 0.000 3/54432 80.0 10.920 9.242 11.532 0.000 2.338 0.000 3/54432 90.0 9.212 7.617 9.697 0.000 1.944 0.000 3/54432 100.0 7.957 6.457 8.356 0.000 1.661 0.000 3/54432 110.0 7.002 5.596 7.340 0.000 1.451 0.000 3/54432 120.0 6.254 4.935 6.547 0.000 1.289 0.000 3/54432 130.0 5.654 4.415 5.912 0.000 1.162 0.000 3/54432 140.0 5.161 3.996 5.393 0.000 1.058 0.000 3/54432 150.0 4.750 3.651 4.961 0.000 0.973 0.000 3/54432 160.0 4.401 3.363 4.595 0.000 0.901 0.000 3/54432 170.0 4.103 3.118 4.282 0.000 0.840 0.000 3/54432 180.0 3.843 2.908 4.011 0.000 0.786 0.000 3/54432 190.0 3.616 2.725 3.773 0.000 0.740 0.000 3/54432 200.0 3.415 2.565 3.563 0.000 0.699 0.000 3/54432 210.0 3.236 2.424 3.376 0.000 0.663 0.000 3/54432 220.0 3.075 2.298 3.208 0.000 0.630 0.000 3/54432 230.0 2.930 2.185 3.057 0.000 0.601 0.000 3/54432 240.0 2.799 2.083 2.920 0.000 0.574 0.000 3/54432 250.0 2.679 1.990 2.795 0.000 0.550 0.000 3/54432 260.0 2.569 1.906 2.680 0.000 0.528 0.000 3/54432 270.0 2.468 1.828 2.575 0.000 0.507 0.000 3/54432 280.0 2.375 1.757 2.478 0.000 0.488 0.000 3/54432 290.0 2.289 1.692 2.389 0.000 0.471 0.000 3/54432 300.0 2.209 1.631 2.305 0.000 0.455 0.000 3/54432 310.0 2.135 1.574 2.228 0.000 0.439 0.000 3/54432 320.0 2.065 1.522 2.155 0.000 0.425 0.000 3/54432 330.0 2.000 1.473 2.087 0.000 0.412 0.000 3/54432 340.0 1.939 1.427 2.024 0.000 0.400 0.000 3/54432 350.0 1.882 1.384 1.964 0.000 0.388 0.000 3/54432 360.0 1.828 1.343 1.908 0.000 0.377 0.000 3/54432 370.0 1.777 1.305 1.855 0.000 0.366 0.000 3/54432 380.0 1.729 1.269 1.805 0.000 0.357 0.000 3/54432 390.0 1.683 1.235 1.757 0.000 0.347 0.000 3/54432 400.0 1.640 1.203 1.712 0.000 0.338 0.000 3/54432 410.0 1.599 1.173 1.669 0.000 0.330 0.000 3/54432 420.0 1.560 1.144 1.629 0.000 0.322 0.000 3/54432 430.0 1.523 1.116 1.590 0.000 0.315 0.000 3/54432 440.0 1.488 1.090 1.553 0.000 0.307 0.000 3/54432 450.0 1.454 1.065 1.518 0.000 0.300 0.000 3/54432 460.0 1.422 1.041 1.484 0.000 0.294 0.000 3/54432 470.0 1.391 1.018 1.452 0.000 0.287 0.000 3/54432 480.0 1.361 0.996 1.422 0.000 0.281 0.000 3/54432 490.0 1.333 0.975 1.392 0.000 0.276 0.000 3/54432 500.0 1.306 0.955 1.364 0.000 0.270 0.000 3/54432 510.0 1.280 0.936 1.337 0.000 0.265 0.000 3/54432 520.0 1.255 0.918 1.311 0.000 0.260 0.000 3/54432 530.0 1.231 0.900 1.286 0.000 0.255 0.000 3/54432 540.0 1.208 0.883 1.261 0.000 0.250 0.000 3/54432 550.0 1.186 0.866 1.238 0.000 0.245 0.000 3/54432 560.0 1.164 0.851 1.216 0.000 0.241 0.000 3/54432 570.0 1.144 0.835 1.194 0.000 0.237 0.000 3/54432 580.0 1.124 0.821 1.173 0.000 0.232 0.000 3/54432 590.0 1.104 0.807 1.153 0.000 0.229 0.000 3/54432 600.0 1.086 0.793 1.134 0.000 0.225 0.000 3/54432 610.0 1.068 0.780 1.115 0.000 0.221 0.000 3/54432 620.0 1.050 0.767 1.097 0.000 0.217 0.000 3/54432 630.0 1.034 0.754 1.079 0.000 0.214 0.000 3/54432 640.0 1.017 0.743 1.062 0.000 0.211 0.000 3/54432 650.0 1.001 0.731 1.046 0.000 0.207 0.000 3/54432 660.0 0.986 0.720 1.030 0.000 0.204 0.000 3/54432 670.0 0.971 0.709 1.014 0.000 0.201 0.000 3/54432 680.0 0.957 0.698 0.999 0.000 0.198 0.000 3/54432 690.0 0.943 0.688 0.985 0.000 0.195 0.000 3/54432 700.0 0.929 0.678 0.971 0.000 0.192 0.000 3/54432 710.0 0.916 0.668 0.957 0.000 0.190 0.000 3/54432 720.0 0.903 0.659 0.943 0.000 0.187 0.000 3/54432 730.0 0.891 0.650 0.930 0.000 0.184 0.000 3/54432 740.0 0.879 0.641 0.918 0.000 0.182 0.000 3/54432 750.0 0.867 0.632 0.905 0.000 0.180 0.000 3/54432 760.0 0.855 0.624 0.894 0.000 0.177 0.000 3/54432 770.0 0.844 0.616 0.882 0.000 0.175 0.000 3/54432 780.0 0.833 0.608 0.870 0.000 0.173 0.000 3/54432 790.0 0.823 0.600 0.859 0.000 0.170 0.000 3/54432 800.0 0.812 0.592 0.849 0.000 0.168 0.000 3/54432 810.0 0.802 0.585 0.838 0.000 0.166 0.000 3/54432 820.0 0.793 0.578 0.828 0.000 0.164 0.000 3/54432 830.0 0.783 0.571 0.818 0.000 0.162 0.000 3/54432 840.0 0.774 0.564 0.808 0.000 0.160 0.000 3/54432 850.0 0.764 0.557 0.798 0.000 0.158 0.000 3/54432 860.0 0.755 0.551 0.789 0.000 0.157 0.000 3/54432 870.0 0.747 0.544 0.780 0.000 0.155 0.000 3/54432 880.0 0.738 0.538 0.771 0.000 0.153 0.000 3/54432 890.0 0.730 0.532 0.762 0.000 0.151 0.000 3/54432 900.0 0.722 0.526 0.754 0.000 0.150 0.000 3/54432 910.0 0.714 0.520 0.746 0.000 0.148 0.000 3/54432 920.0 0.706 0.514 0.737 0.000 0.146 0.000 3/54432 930.0 0.698 0.509 0.729 0.000 0.145 0.000 3/54432 940.0 0.691 0.503 0.722 0.000 0.143 0.000 3/54432 950.0 0.684 0.498 0.714 0.000 0.142 0.000 3/54432 960.0 0.676 0.493 0.707 0.000 0.140 0.000 3/54432 970.0 0.669 0.488 0.699 0.000 0.139 0.000 3/54432 980.0 0.663 0.483 0.692 0.000 0.137 0.000 3/54432 990.0 0.656 0.478 0.685 0.000 0.136 0.000 3/54432 1000.0 0.649 0.473 0.678 0.000 0.135 0.000 3/54432Thermal conductivity related properties were written into "kappa-m12129.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 22:58:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|